0 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.3 C#CCCCCCCCOCF 34a_100000054614_100015361967 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.3 C#CCCCCCCCOCF 7a_100000054614_100015361967 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.3 C#CCCCCCCNCCF 34a_100000724931_100012276617 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.3 C#CCCCCCCOCCBr 34a_100000211926_100012276617 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,0,0,0,0,0|2,0,1]=3 21 B11R0.3 C#CCCCCCCOCCF 34a_100011217361_100011217306 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.3 C#CCCCCCCOCCF 7a_100011217361_100011217306 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.3 C#CCCCCCCOCCN 34a_100000210304_100012276617 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,0,0,0,0,0|1,0,2]=3 26 B11R0.3 C#CCCCCCCOCSC 34a_100011217361_100011218213 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,0,0,0,0,0|2,0,1]=3 28 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,0,0,0,0,0|2,0,1]=3 29 B11R0.3 C#CCCCCCCSCCF 62a_100011217306_100012276617 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.3 C#CCCCCCCSCCF 62a_100012276617_100011217306 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,0,0,0,0,0|1,0,2]=3 33 B11R0.3 C#CCCCCCCSCOC 62a_100000766300_100012276617 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.3 C#CCCCCCCSCOC 62a_100012276617_100000766300 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.3 C#CCCCCCCSCSC 62a_100011218213_100012276617 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.3 C#CCCCCCCSCSC 62a_100012276617_100011218213 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,0,0,0,0,0|2,0,1]=3 38 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,0,0,0,0,0|2,0,1]=3 39 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,0,0,0,0,0|2,0,1]=3 45 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,0,0,0,0,0|2,0,1]=3 46 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,0,0,0,0,0|2,0,1]=3 47 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,0,0,0,0,0|2,0,1]=3 48 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,0,0,0,0,0|1,0,2]=3 54 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,0,0,0,0,0|1,0,2]=3 55 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,0,0,0,0,0|3,0,1]=4 57 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,0,0,0,0,0|3,0,1]=4 61 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,0,0,0,0,0|2,0,1]=3 63 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,0,0,0,0,0|2,0,1]=3 64 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,0,0,0,0,0|1,0,2]=3 67 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,0,0,0,0,0|1,0,2]=3 68 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,0,0,0,0,0|3,0,1]=4 69 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,0,0,0,0,0|3,0,1]=4 70 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.3 C#CCCCCCSCOCC 62a_100000739092_100012094781 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.3 C#CCCCCCSCOCC 62a_100012094781_100000739092 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,0,0,0,0,0|2,0,1]=3 75 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,0,0,0,0,0|2,0,1]=3 76 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,0,0,0,0,0|2,0,1]=3 77 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,0,0,0,0,0|1,0,2]=3 80 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,0,0,0,0,0|1,0,2]=3 81 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,0,0,0,0,0|1,0,2]=3 82 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,0,0,0,0,0|1,0,2]=3 83 B11R0.3 C#CCCCCNCCCOC 2230a_100000706060_100000740836 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.3 C#CCCCCNCCCOC 34a_100000706060_100000740836 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.3 C#CCCCCNCCCOC 34a_100150723488_100010269958 [0,0,0,0,0,0|3,0,1]=4 86 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,0,0,0,0,0|3,0,1]=4 87 B11R0.3 C#CCCCCNCCOCC 2230a_100000706060_100011215890 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.3 C#CCCCCNCCOCC 2230a_102516460346_100010269958 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.3 C#CCCCCNCCOCC 34a_100000706060_100000210147 [0,0,0,0,0,0|3,0,1]=4 90 B11R0.3 C#CCCCCNCCOCC 34a_102516460346_100010269958 [0,0,0,0,0,0|3,0,1]=4 91 B11R0.3 C#CCCCCNCCSCC 2230a_100000106463_100010269958 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.3 C#CCCCCNCCSCC 2230a_100000706060_100000757381 [0,0,0,0,0,0|3,0,1]=4 93 B11R0.3 C#CCCCCNCCSCC 34a_100000706060_100000757381 [0,0,0,0,0,0|3,0,1]=4 94 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,0,0,0,0,0|2,0,2]=4 95 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,0,0,0,0,0|2,0,1]=3 96 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,0,0,0,0,0|2,0,1]=3 97 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,0,0,0,0,0|2,0,1]=3 98 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,0,0,0,0,0|2,0,1]=3 99 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,0,0,0,0,0|2,0,2]=4 105 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,0,0,0,0,0|2,0,2]=4 106 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,0,0,0,0,0|1,0,2]=3 108 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,0,0,0,0,0|1,0,2]=3 109 B11R0.3 C#CCCCCOCCCNC 34a_100000213112_100010269958 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.3 C#CCCCCOCCCOC 34a_100000740835_100010269958 [0,0,0,0,0,0|3,0,1]=4 111 B11R0.3 C#CCCCCOCCCOC 34a_100000766709_100000740836 [0,0,0,0,0,0|3,0,1]=4 112 B11R0.3 C#CCCCCOCCCOC 7a_100000766709_100000740836 [0,0,0,0,0,0|3,0,1]=4 113 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,0,0,0,0,0|3,0,1]=4 114 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.3 C#CCCCCOCCOCC 34a_100000210136_100010269958 [0,0,0,0,0,0|3,0,1]=4 116 B11R0.3 C#CCCCCOCCOCC 34a_100000766709_100000210147 [0,0,0,0,0,0|3,0,1]=4 117 B11R0.3 C#CCCCCOCCOCC 7a_100000210136_100010269958 [0,0,0,0,0,0|3,0,1]=4 118 B11R0.3 C#CCCCCOCCOCC 7a_100000766709_100011215890 [0,0,0,0,0,0|3,0,1]=4 119 B11R0.3 C#CCCCCOCCSCC 34a_100000212035_100010269958 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.3 C#CCCCCOCCSCC 34a_100000766709_100000757381 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.3 C#CCCCCOCCSCC 7a_100000212035_100010269958 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.3 C#CCCCCOCCSCC 7a_100000766709_100000757381 [0,0,0,0,0,0|3,0,1]=4 123 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,0,0,0,0,0|2,0,1]=3 124 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,0,0,0,0,0|2,0,1]=3 125 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,0,0,0,0,0|2,0,2]=4 127 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,0,0,0,0,0|1,0,2]=3 128 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,0,0,0,0,0|1,0,2]=3 129 B11R0.3 C#CCCCCSCCCOC 62a_100000709357_100010269958 [0,0,0,0,0,0|3,0,1]=4 130 B11R0.3 C#CCCCCSCCCOC 62a_100010269958_100000709357 [0,0,0,0,0,0|3,0,1]=4 131 B11R0.3 C#CCCCCSCCOCC 62a_100000210147_100010269958 [0,0,0,0,0,0|3,0,1]=4 132 B11R0.3 C#CCCCCSCCOCC 62a_100010269958_100011215890 [0,0,0,0,0,0|3,0,1]=4 133 B11R0.3 C#CCCCCSCCSCC 62a_100000757381_100010269958 [0,0,0,0,0,0|3,0,1]=4 134 B11R0.3 C#CCCCCSCCSCC 62a_100010269958_100000757381 [0,0,0,0,0,0|3,0,1]=4 135 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,0,0,0,0,0|2,0,1]=3 136 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,0,0,0,0,0|2,0,1]=3 137 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,0,0,0,0,0|2,0,2]=4 138 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,0,0,0,0,0|1,0,2]=3 139 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,0,0,0,0,0|1,0,2]=3 140 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,0,0,0,0,0|1,0,2]=3 141 B11R0.3 C#CCCCNCCCCOC 34a_100000718082_100000755781 [0,0,0,0,0,0|3,0,1]=4 142 B11R0.3 C#CCCCNCCCOCC 2230a_100000210961_100000731252 [0,0,0,0,0,0|3,0,1]=4 143 B11R0.3 C#CCCCNCCCOCC 34a_100000210961_100000695029 [0,0,0,0,0,0|3,0,1]=4 144 B11R0.3 C#CCCCNCCCOCC 34a_100000718082_100012232248 [0,0,0,0,0,0|3,0,1]=4 145 B11R0.3 C#CCCCNCCOCCC 2230a_100161115042_100000731252 [0,0,0,0,0,0|3,0,1]=4 146 B11R0.3 C#CCCCNCCOCCC 34a_100000718082_100011215938 [0,0,0,0,0,0|3,0,1]=4 147 B11R0.3 C#CCCCNCCOCCC 34a_100161115042_100000695029 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.3 C#CCCCNCCOCCO 2230a_100000211614_100000731252 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.3 C#CCCCNCCOCCO 34a_100000211614_100000695029 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.3 C#CCCCNCCOCCO 34a_100000718082_100000692535 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.3 C#CCCCNCCSCCC 2230a_100020603323_100000731252 [0,0,0,0,0,0|3,0,1]=4 152 B11R0.3 C#CCCCNCCSCCO 2230a_100011219999_100000731252 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.3 C#CCCCNCOCCCC 34a_100000718082_100011995733 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,0,0,0,0,0|2,0,2]=4 156 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,0,0,0,0,0|2,0,1]=3 157 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,0,0,0,0,0|2,0,1]=3 158 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,0,0,0,0,0|2,0,1]=3 159 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,0,0,0,0,0|2,0,1]=3 160 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,0,0,0,0,0|2,0,2]=4 161 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,0,0,0,0,0|2,0,2]=4 162 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,0,0,0,0,0|2,0,2]=4 164 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,0,0,0,0,0|2,0,2]=4 166 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,0,0,0,0,0|2,0,2]=4 167 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,0,0,0,0,0|1,0,2]=3 168 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,0,0,0,0,0|1,0,2]=3 169 B11R0.3 C#CCCCOCCCCOC 34a_100000215630_100000755781 [0,0,0,0,0,0|3,0,1]=4 170 B11R0.3 C#CCCCOCCCCOC 34a_100000740925_100000695029 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.3 C#CCCCOCCCCOC 7a_100000215630_100000730899 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,0,0,0,0,0|3,0,1]=4 173 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.3 C#CCCCOCCCOCC 34a_100000215630_100012232248 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.3 C#CCCCOCCCOCC 34a_100000757476_100000695029 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.3 C#CCCCOCCCOCC 7a_100000215630_100012232248 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.3 C#CCCCOCCCOCC 7a_100000757476_100011215417 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.3 C#CCCCOCCCSCC 34a_100011216438_100000695029 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.3 C#CCCCOCCCSCC 7a_100011216438_100011215417 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,0,0,0,0,0|3,0,1]=4 182 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,0,0,0,0,0|3,0,1]=4 184 B11R0.3 C#CCCCOCCOCCO 34a_100000215630_100000692535 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.3 C#CCCCOCCOCCO 7a_100000215630_100011215305 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.3 C#CCCCOCCSCCC 34a_200000230433_100000695029 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.3 C#CCCCOCCSCCC 7a_200000230433_100011215417 [0,0,0,0,0,0|3,0,1]=4 188 B11R0.3 C#CCCCOCOCCCC 34a_100000215630_100011995733 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,0,0,0,0,0|2,0,1]=3 190 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,0,0,0,0,0|2,0,1]=3 191 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,0,0,0,0,0|1,0,2]=3 194 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,0,0,0,0,0|1,0,2]=3 195 B11R0.3 C#CCCCSCCCCOC 62a_100000730899_100011215417 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.3 C#CCCCSCCCCOC 62a_100011215417_100000730899 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.3 C#CCCCSCCCOCC 62a_100011215417_100012232248 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.3 C#CCCCSCCCOCC 62a_100012232248_100011215417 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.3 C#CCCCSCCOCCC 62a_100011215417_100011215938 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.3 C#CCCCSCCOCCC 62a_100011215938_100011215417 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.3 C#CCCCSCCOCCO 62a_100011215305_100011215417 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.3 C#CCCCSCCOCCO 62a_100011215417_100011215305 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.3 C#CCCCSCOCCCC 62a_100011215417_100011995733 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.3 C#CCCCSCOCCCC 62a_100011995733_100011215417 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,0,0,0,0,0|2,0,1]=3 206 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,0,0,0,0,0|2,0,1]=3 207 B11R0.3 C#CCCNCCCCCCF 34a_100000755551_100015922095 [0,0,0,0,0,0|2,0,2]=4 208 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,0,0,0,0,0|1,0,2]=3 209 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,0,0,0,0,0|1,0,2]=3 210 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,0,0,0,0,0|1,0,2]=3 211 B11R0.3 C#CCCNCCCCCOC 2230a_100000747528_100000688953 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.3 C#CCCNCCCCCOC 34a_100000747528_100000688953 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.3 C#CCCNCCCOCCC 2230a_100011217757_100000688953 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.3 C#CCCNCCCOCCC 34a_100011217757_100000688953 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.3 C#CCCNCCSCCCC 2230a_100025743550_100000688953 [0,0,0,0,0,0|3,0,1]=4 217 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,0,0,0,0,0|2,0,2]=4 218 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,0,0,0,0,0|2,0,2]=4 219 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,0,0,0,0,0|2,0,1]=3 220 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,0,0,0,0,0|2,0,1]=3 221 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,0,0,0,0,0|2,0,1]=3 222 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,0,0,0,0,0|2,0,2]=4 224 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,0,0,0,0,0|2,0,2]=4 225 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,0,0,0,0,0|2,0,2]=4 226 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,0,0,0,0,0|2,0,2]=4 227 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,0,0,0,0,0|2,0,2]=4 228 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,0,0,0,0,0|1,0,2]=3 229 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,0,0,0,0,0|2,0,1]=3 236 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,0,0,0,0,0|2,0,1]=3 237 B11R0.3 C#CCCSCCCCCCF 62a_100000688953_100015922095 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.3 C#CCCSCCCCCCF 62a_100015922095_100000688953 [0,0,0,0,0,0|2,0,2]=4 239 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,0,0,0,0,0|1,0,2]=3 240 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,0,0,0,0,0|1,0,2]=3 241 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,0,0,0,0,0|3,0,1]=4 242 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,0,0,0,0,0|3,0,1]=4 243 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,0,0,0,0,0|2,0,1]=3 244 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,0,0,0,0,0|2,0,1]=3 245 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,0,0,0,0,0|2,0,1]=3 246 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,0,0,0,0,0|1,0,2]=3 247 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,0,0,0,0,0|1,0,2]=3 248 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,0,0,0,0,0|1,0,2]=3 249 B11R0.3 C#CCNCCCCCCOC 34a_100000212058_100011998445 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.3 C#CCNCCCOCCCO 2230a_100011310245_100000038162 [0,0,0,0,0,0|2,0,2]=4 253 B11R0.3 C#CCNCCCOCCCO 34a_100011310245_100000184674 [0,0,0,0,0,0|2,0,2]=4 254 B11R0.3 C#CCOCCCCCCCBr 34a_100000760002_100000184674 [0,0,0,0,0,0|2,0,2]=4 255 B11R0.3 C#CCOCCCCCCCBr 7a_100000760002_100000038162 [0,0,0,0,0,0|2,0,2]=4 256 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,0,0,0,0,0|2,0,1]=3 257 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,0,0,0,0,0|2,0,1]=3 258 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,0,0,0,0,0|2,0,1]=3 259 B11R0.3 C#CCOCCCCCCCN 34a_100011996573_100000184674 [0,0,0,0,0,0|2,0,2]=4 260 B11R0.3 C#CCOCCCCCCCO 34a_100000210247_100000760002 [0,0,0,0,0,0|1,0,2]=3 261 B11R0.3 C#CCOCCCCCCOC 34a_100000210247_100011998445 [0,0,0,0,0,0|3,0,1]=4 262 B11R0.3 C#CCOCCCCCCOC 34a_200011021349_200000210301 [0,0,0,0,0,0|3,0,1]=4 263 B11R0.3 C#CCOCCCCCCOC 34a_200012092642_100000184674 [0,0,0,0,0,0|3,0,1]=4 264 B11R0.3 C#CCOCCCCCCOC 7a_200011021349_200000210301 [0,0,0,0,0,0|3,0,1]=4 265 B11R0.3 C#CCOCCCCCCOC 7a_200012092642_100000038162 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.3 C#CCOCCCCCCO[13CH3] 34a_200011021349_200025704644 [0,0,0,0,0,0|3,0,1]=4 267 B11R0.3 C#CCOCCCCCCO[13CH3] 7a_200011021349_200025704644 [0,0,0,0,0,0|3,0,1]=4 268 B11R0.3 C#CCOCCCOCCCC 34a_200011215613_100000184674 [0,0,0,0,0,0|3,0,1]=4 269 B11R0.3 C#CCOCCCOCCCC 7a_200011215613_100000038162 [0,0,0,0,0,0|3,0,1]=4 270 B11R0.3 C#CCOCCNCCCCC 2230a_100000209983_100010402529 [0,0,0,0,0,0|3,0,1]=4 271 B11R0.3 C#CCOCCNCCCCC 2230a_100000700922_100000210326 [0,0,0,0,0,0|3,0,1]=4 272 B11R0.3 C#CCOCCNCCCCC 34a_100000224656_100000184674 [0,0,0,0,0,0|3,0,1]=4 273 B11R0.3 C#CCOCCNCCCCC 34a_100000700922_100000718602 [0,0,0,0,0,0|3,0,1]=4 274 B11R0.3 C#CCOCCNCCCCO 2230a_100000700922_100000210776 [0,0,0,0,0,0|2,0,2]=4 275 B11R0.3 C#CCOCCNCCCCO 2230a_100000750430_100010402529 [0,0,0,0,0,0|2,0,2]=4 276 B11R0.3 C#CCOCCNCCCCO 34a_100000700922_100011216708 [0,0,0,0,0,0|2,0,2]=4 277 B11R0.3 C#CCOCCNCCCCO 34a_100000750430_100010402529 [0,0,0,0,0,0|2,0,2]=4 278 B11R0.3 C#CCOCCOCCCCC 34a_100000054580_100000718602 [0,0,0,0,0,0|3,0,1]=4 279 B11R0.3 C#CCOCCOCCCCC 34a_100000210253_100010402529 [0,0,0,0,0,0|3,0,1]=4 280 B11R0.3 C#CCOCCOCCCCC 34a_100011215259_100000184674 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.3 C#CCOCCOCCCCC 7a_100000054580_100000210326 [0,0,0,0,0,0|3,0,1]=4 282 B11R0.3 C#CCOCCOCCCCC 7a_100000210253_100010402529 [0,0,0,0,0,0|3,0,1]=4 283 B11R0.3 C#CCOCCOCCCCC 7a_100011215259_100000038162 [0,0,0,0,0,0|3,0,1]=4 284 B11R0.3 C#CCOCCOCCCCO 34a_100000054580_100011216708 [0,0,0,0,0,0|2,0,2]=4 285 B11R0.3 C#CCOCCOCCCCO 7a_100000054580_100000210776 [0,0,0,0,0,0|2,0,2]=4 286 B11R0.3 C#CCOCCSCCCCC 62a_100000210326_100010402529 [0,0,0,0,0,0|3,0,1]=4 287 B11R0.3 C#CCOCCSCCCCC 62a_100010402529_100000210326 [0,0,0,0,0,0|3,0,1]=4 288 B11R0.3 C#CCOCCSCCCCO 62a_100000210776_100010402529 [0,0,0,0,0,0|2,0,2]=4 289 B11R0.3 C#CCOCCSCCCCO 62a_100010402529_100000210776 [0,0,0,0,0,0|2,0,2]=4 290 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,0,0,0,0,0|2,0,1]=3 291 B11R0.3 C#CCSCCCCCCCO 62a_100000038162_100000760002 [0,0,0,0,0,0|1,0,2]=3 292 B11R0.3 C#CCSCCCCCCOC 62a_100000038162_100011998445 [0,0,0,0,0,0|3,0,1]=4 293 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,0,0,0,0,0|2,0,2]=4 294 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,0,0,0,0,0|2,0,2]=4 295 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,0,0,0,0,0|1,0,2]=3 296 B11R0.3 C/C=C/CCOCCOCCO 34a_100016278192_100000692535 [0,0,0,0,0,0|2,0,2]=4 297 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,0,0,0,0,0|1,0,2]=3 298 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,0,0,0,0,0|2,0,2]=4 299 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,0,0,0,0,0|2,0,2]=4 300 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 301 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,0,0,0,0,0|2,0,2]=4 302 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 303 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,0,0,0,0,0|2,0,2]=4 304 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,0,0,0,0,0|2,0,2]=4 305 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,0,0,0,0,0|2,0,2]=4 306 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,0,0,0,0,0|2,0,2]=4 307 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,0,0,0,0,0|2,0,2]=4 308 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,0,0,0,0,0|2,0,2]=4 309 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,0,0,0,0,0|1,0,2]=3 310 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,0,0,0,0,0|2,0,2]=4 311 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,0,0,0,0,0|2,0,2]=4 312 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,0,0,0,0,0|2,0,2]=4 313 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,0,0,0,0,0|2,0,2]=4 314 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,0,0,0,0,0|1,0,2]=3 315 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,0,0,0,0,0|1,0,2]=3 316 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,0,0,0,0,0|2,0,1]=3 317 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,0,0,0,0,0|2,0,1]=3 318 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,0,0,0,0,0|2,0,1]=3 319 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,0,0,0,0,0|2,0,1]=3 320 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,0,0,0,0,0|2,0,1]=3 321 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,0,0,0,0,0|2,0,1]=3 322 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,0,0,0,0,0|2,0,1]=3 323 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,0,0,0,0,0|2,0,1]=3 324 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,0,0,0,0,0|2,0,1]=3 325 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,0,0,0,0,0|2,0,1]=3 326 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,0,0,0,0,0|2,0,1]=3 327 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,0,0,0,0,0|2,0,1]=3 328 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,0,0,0,0,0|2,0,1]=3 329 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,0,0,0,0,0|2,0,1]=3 330 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,0,0,0,0,0|2,0,1]=3 331 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,0,0,0,0,0|2,0,1]=3 332 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,0,0,0,0,0|2,0,2]=4 333 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,0,0,0,0,0|2,0,2]=4 334 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,0,0,0,0,0|2,0,1]=3 335 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,0,0,0,0,0|2,0,1]=3 336 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,0,0,0,0,0|2,0,2]=4 337 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,0,0,0,0,0|2,0,2]=4 338 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,0,0,0,0,0|2,0,2]=4 339 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,0,0,0,0,0|1,0,2]=3 340 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,0,0,0,0,0|1,0,2]=3 341 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,0,0,0,0,0|2,0,2]=4 342 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,0,0,0,0,0|2,0,1]=3 343 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,0,0,0,0,0|2,0,1]=3 344 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,0,0,0,0,0|2,0,1]=3 345 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,0,0,0,0,0|2,0,2]=4 346 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,0,0,0,0,0|2,0,2]=4 347 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,0,0,0,0,0|2,0,2]=4 348 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,0,0,0,0,0|1,0,2]=3 349 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,0,0,0,0,0|1,0,2]=3 350 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,0,0,0,0,0|3,0,1]=4 351 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,0,0,0,0,0|2,0,1]=3 352 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,0,0,0,0,0|2,0,1]=3 353 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,0,0,0,0,0|2,0,2]=4 354 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,0,0,0,0,0|2,0,2]=4 355 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,0,0,0,0,0|1,0,2]=3 356 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,0,0,0,0,0|1,0,2]=3 357 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,0,0,0,0,0|3,0,1]=4 358 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,0,0,0,0,0|3,0,1]=4 359 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,0,0,0,0,0|3,0,1]=4 360 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,0,0,0,0,0|3,0,1]=4 361 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,0,0,0,0,0|2,0,1]=3 362 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,0,0,0,0,0|2,0,1]=3 363 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,0,0,0,0,0|2,0,2]=4 364 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,0,0,0,0,0|2,0,2]=4 365 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,0,0,0,0,0|3,0,1]=4 366 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,0,0,0,0,0|3,0,1]=4 367 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,0,0,0,0,0|2,0,2]=4 368 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,0,0,0,0,0|2,0,1]=3 369 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,0,0,0,0,0|2,0,1]=3 370 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,0,0,0,0,0|2,0,1]=3 371 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,0,0,0,0,0|2,0,1]=3 372 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,0,0,0,0,0|2,0,2]=4 373 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,0,0,0,0,0|2,0,2]=4 374 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,0,0,0,0,0|2,0,2]=4 375 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,0,0,0,0,0|2,0,2]=4 376 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,0,0,0,0,0|2,0,2]=4 377 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,0,0,0,0,0|1,0,2]=3 378 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,0,0,0,0,0|1,0,2]=3 379 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,0,0,0,0,0|3,0,1]=4 380 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,0,0,0,0,0|3,0,1]=4 381 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,0,0,0,0,0|3,0,1]=4 382 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,0,0,0,0,0|3,0,1]=4 383 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,0,0,0,0,0|3,0,1]=4 384 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,0,0,0,0,0|3,0,1]=4 385 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,0,0,0,0,0|3,0,1]=4 386 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,0,0,0,0,0|2,0,1]=3 387 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,0,0,0,0,0|2,0,1]=3 388 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,0,0,0,0,0|2,0,2]=4 389 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,0,0,0,0,0|2,0,2]=4 390 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,0,0,0,0,0|1,0,2]=3 391 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,0,0,0,0,0|1,0,2]=3 392 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,0,0,0,0,0|3,0,1]=4 393 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,0,0,0,0,0|3,0,1]=4 394 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,0,0,0,0,0|3,0,1]=4 395 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,0,0,0,0,0|3,0,1]=4 396 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,0,0,0,0,0|3,0,1]=4 397 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,0,0,0,0,0|3,0,1]=4 398 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,0,0,0,0,0|2,0,1]=3 399 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,0,0,0,0,0|2,0,1]=3 400 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,0,0,0,0,0|2,0,1]=3 401 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,0,0,0,0,0|2,0,2]=4 402 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,0,0,0,0,0|2,0,2]=4 403 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,0,0,0,0,0|1,0,2]=3 404 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,0,0,0,0,0|1,0,2]=3 405 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,0,0,0,0,0|1,0,2]=3 406 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,0,0,0,0,0|1,0,2]=3 407 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,0,0,0,0,0|3,0,1]=4 408 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,0,0,0,0,0|3,0,1]=4 409 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,0,0,0,0,0|3,0,1]=4 410 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,0,0,0,0,0|3,0,1]=4 411 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,0,0,0,0,0|3,0,1]=4 412 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,0,0,0,0,0|3,0,1]=4 413 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,0,0,0,0,0|3,0,1]=4 414 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,0,0,0,0,0|3,0,1]=4 415 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,0,0,0,0,0|3,0,1]=4 416 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,0,0,0,0,0|3,0,1]=4 417 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,0,0,0,0,0|3,0,1]=4 418 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,0,0,0,0,0|2,0,2]=4 419 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,0,0,0,0,0|2,0,1]=3 420 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,0,0,0,0,0|2,0,1]=3 421 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,0,0,0,0,0|2,0,1]=3 422 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,0,0,0,0,0|2,0,1]=3 423 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,0,0,0,0,0|2,0,2]=4 424 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,0,0,0,0,0|2,0,2]=4 425 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,0,0,0,0,0|2,0,2]=4 426 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,0,0,0,0,0|2,0,2]=4 427 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,0,0,0,0,0|2,0,2]=4 428 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,0,0,0,0,0|2,0,2]=4 429 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,0,0,0,0,0|2,0,2]=4 430 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,0,0,0,0,0|2,0,2]=4 431 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,0,0,0,0,0|1,0,2]=3 432 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,0,0,0,0,0|1,0,2]=3 433 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,0,0,0,0,0|3,0,1]=4 434 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,0,0,0,0,0|3,0,1]=4 435 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,0,0,0,0,0|3,0,1]=4 436 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,0,0,0,0,0|3,0,1]=4 437 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,0,0,0,0,0|3,0,1]=4 438 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,0,0,0,0,0|3,0,1]=4 439 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,0,0,0,0,0|3,0,1]=4 441 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,0,0,0,0,0|3,0,1]=4 442 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,0,0,0,0,0|3,0,1]=4 443 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,0,0,0,0,0|3,0,1]=4 444 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,0,0,0,0,0|3,0,1]=4 445 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,0,0,0,0,0|3,0,1]=4 447 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,0,0,0,0,0|2,0,1]=3 448 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,0,0,0,0,0|2,0,1]=3 449 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,0,0,0,0,0|2,0,2]=4 450 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,0,0,0,0,0|2,0,2]=4 451 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,0,0,0,0,0|1,0,2]=3 452 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,0,0,0,0,0|1,0,2]=3 453 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,0,0,0,0,0|3,0,1]=4 454 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,0,0,0,0,0|3,0,1]=4 455 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,0,0,0,0,0|3,0,1]=4 456 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,0,0,0,0,0|3,0,1]=4 459 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,0,0,0,0,0|2,0,1]=3 460 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,0,0,0,0,0|2,0,1]=3 461 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,0,0,0,0,0|2,0,1]=3 462 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,0,0,0,0,0|2,0,2]=4 463 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,0,0,0,0,0|2,0,2]=4 464 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,0,0,0,0,0|1,0,2]=3 465 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,0,0,0,0,0|1,0,2]=3 466 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,0,0,0,0,0|1,0,2]=3 467 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,0,0,0,0,0|1,0,2]=3 468 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,0,0,0,0,0|3,0,1]=4 469 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,0,0,0,0,0|3,0,1]=4 470 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,0,0,0,0,0|3,0,1]=4 471 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,0,0,0,0,0|3,0,1]=4 472 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,0,0,0,0,0|3,0,1]=4 473 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,0,0,0,0,0|3,0,1]=4 474 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,0,0,0,0,0|3,0,1]=4 475 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,0,0,0,0,0|3,0,1]=4 476 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,0,0,0,0,0|3,0,1]=4 478 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,0,0,0,0,0|2,0,2]=4 479 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,0,0,0,0,0|2,0,2]=4 480 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,0,0,0,0,0|2,0,2]=4 481 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,0,0,0,0,0|2,0,2]=4 482 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,0,0,0,0,0|3,0,1]=4 483 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,0,0,0,0,0|2,0,2]=4 484 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,0,0,0,0,0|3,0,1]=4 485 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,0,0,0,0,0|3,0,1]=4 486 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,0,0,0,0,0|2,0,2]=4 487 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,0,0,0,0,0|2,0,2]=4 488 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,0,0,0,0,0|2,0,1]=3 489 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,0,0,0,0,0|2,0,1]=3 490 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,0,0,0,0,0|2,0,1]=3 491 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,0,0,0,0,0|2,0,1]=3 492 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,0,0,0,0,0|2,0,2]=4 493 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,0,0,0,0,0|2,0,2]=4 494 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,0,0,0,0,0|2,0,2]=4 495 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,0,0,0,0,0|2,0,2]=4 496 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,0,0,0,0,0|2,0,2]=4 497 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,0,0,0,0,0|2,0,2]=4 498 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,0,0,0,0,0|2,0,2]=4 499 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,0,0,0,0,0|1,0,2]=3 500 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,0,0,0,0,0|1,0,2]=3 501 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,0,0,0,0,0|3,0,1]=4 502 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,0,0,0,0,0|3,0,1]=4 503 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,0,0,0,0,0|3,0,1]=4 504 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,0,0,0,0,0|3,0,1]=4 505 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,0,0,0,0,0|3,0,1]=4 506 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,0,0,0,0,0|3,0,1]=4 507 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,0,0,0,0,0|3,0,1]=4 508 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,0,0,0,0,0|3,0,1]=4 509 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,0,0,0,0,0|3,0,1]=4 510 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,0,0,0,0,0|3,0,1]=4 511 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,0,0,0,0,0|3,0,1]=4 512 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,0,0,0,0,0|3,0,1]=4 513 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,0,0,0,0,0|3,0,1]=4 514 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,0,0,0,0,0|3,0,1]=4 515 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,0,0,0,0,0|3,0,1]=4 516 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,0,0,0,0,0|2,0,2]=4 517 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,0,0,0,0,0|2,0,2]=4 518 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,0,0,0,0,0|3,0,1]=4 519 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,0,0,0,0,0|3,0,1]=4 520 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,0,0,0,0,0|3,0,1]=4 521 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,0,0,0,0,0|2,0,1]=3 522 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,0,0,0,0,0|2,0,1]=3 523 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,0,0,0,0,0|2,0,2]=4 524 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,0,0,0,0,0|2,0,2]=4 525 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,0,0,0,0,0|1,0,2]=3 526 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,0,0,0,0,0|1,0,2]=3 527 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,0,0,0,0,0|3,0,1]=4 528 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,0,0,0,0,0|3,0,1]=4 529 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,0,0,0,0,0|3,0,1]=4 531 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,0,0,0,0,0|2,0,2]=4 534 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,0,0,0,0,0|2,0,2]=4 535 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,0,0,0,0,0|3,0,1]=4 536 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,0,0,0,0,0|3,0,1]=4 537 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,0,0,0,0,0|2,0,1]=3 538 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,0,0,0,0,0|2,0,1]=3 539 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,0,0,0,0,0|2,0,2]=4 540 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,0,0,0,0,0|1,0,2]=3 541 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,0,0,0,0,0|1,0,2]=3 542 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,0,0,0,0,0|1,0,2]=3 543 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,0,0,0,0,0|3,0,1]=4 544 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,0,0,0,0,0|3,0,1]=4 545 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,0,0,0,0,0|3,0,1]=4 546 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,0,0,0,0,0|3,0,1]=4 547 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,0,0,0,0,0|3,0,1]=4 548 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,0,0,0,0,0|3,0,1]=4 549 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,0,0,0,0,0|2,0,2]=4 550 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,0,0,0,0,0|2,0,2]=4 551 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,0,0,0,0,0|2,0,1]=3 552 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,0,0,0,0,0|2,0,1]=3 553 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,0,0,0,0,0|2,0,1]=3 554 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,0,0,0,0,0|2,0,2]=4 555 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,0,0,0,0,0|2,0,2]=4 556 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,0,0,0,0,0|2,0,2]=4 557 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,0,0,0,0,0|2,0,2]=4 558 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,0,0,0,0,0|2,0,2]=4 559 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,0,0,0,0,0|2,0,2]=4 560 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,0,0,0,0,0|1,0,2]=3 561 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,0,0,0,0,0|3,0,1]=4 562 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,0,0,0,0,0|3,0,1]=4 563 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,0,0,0,0,0|3,0,1]=4 564 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,0,0,0,0,0|3,0,1]=4 565 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,0,0,0,0,0|3,0,1]=4 566 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,0,0,0,0,0|3,0,1]=4 567 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,0,0,0,0,0|2,0,1]=3 568 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,0,0,0,0,0|2,0,1]=3 569 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,0,0,0,0,0|2,0,2]=4 570 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,0,0,0,0,0|2,0,2]=4 571 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,0,0,0,0,0|1,0,2]=3 572 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,0,0,0,0,0|1,0,2]=3 573 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,0,0,0,0,0|3,0,1]=4 574 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,0,0,0,0,0|3,0,1]=4 575 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,0,0,0,0,0|2,0,1]=3 576 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,0,0,0,0,0|2,0,1]=3 577 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,0,0,0,0,0|2,0,1]=3 578 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,0,0,0,0,0|1,0,2]=3 579 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,0,0,0,0,0|1,0,2]=3 580 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,0,0,0,0,0|1,0,2]=3 581 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,0,0,0,0,0|3,0,1]=4 584 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,0,0,0,0,0|2,0,2]=4 585 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,0,0,0,0,0|2,0,2]=4 586 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,0,0,0,0,0|2,0,2]=4 587 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,0,0,0,0,0|2,0,2]=4 588 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,0,0,0,0,0|2,0,1]=3 589 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,0,0,0,0,0|2,0,1]=3 590 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,0,0,0,0,0|2,0,1]=3 591 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,0,0,0,0,0|2,0,2]=4 592 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,0,0,0,0,0|1,0,2]=3 593 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,0,0,0,0,0|3,0,1]=4 594 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,0,0,0,0,0|3,0,1]=4 595 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,0,0,0,0,0|3,0,1]=4 596 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,0,0,0,0,0|3,0,1]=4 597 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,0,0,0,0,0|3,0,1]=4 598 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,0,0,0,0,0|3,0,1]=4 599 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,0,0,0,0,0|3,0,1]=4 600 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,0,0,0,0,0|3,0,1]=4 601 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,0,0,0,0,0|3,0,1]=4 602 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,0,0,0,0,0|3,0,1]=4 603 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,0,0,0,0,0|2,0,2]=4 604 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,0,0,0,0,0|2,0,2]=4 605 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,0,0,0,0,0|2,0,1]=3 606 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,0,0,0,0,0|2,0,1]=3 607 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,0,0,0,0,0|1,0,2]=3 608 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,0,0,0,0,0|1,0,2]=3 609 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,0,0,0,0,0|3,0,1]=4 610 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,0,0,0,0,0|3,0,1]=4 611 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,0,0,0,0,0|3,0,1]=4 612 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,0,0,0,0,0|3,0,1]=4 613 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,0,0,0,0,0|2,0,2]=4 614 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,0,0,0,0,0|2,0,2]=4 615 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,0,0,0,0,0|3,0,1]=4 616 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,0,0,0,0,0|3,0,1]=4 617 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,0,0,0,0,0|2,0,2]=4 618 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,0,0,0,0,0|2,0,2]=4 619 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,0,0,0,0,0|3,0,1]=4 620 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,0,0,0,0,0|2,0,2]=4 621 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,0,0,0,0,0|2,0,2]=4 622 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,0,0,0,0,0|3,0,1]=4 623 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,0,0,0,0,0|3,0,1]=4 624 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,0,0,0,0,0|3,0,1]=4 625 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,0,0,0,0,0|2,0,2]=4 626 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,0,0,0,0,0|3,0,1]=4 627 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,0,0,0,0,0|3,0,1]=4 628 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,0,0,0,0,0|2,0,2]=4 629 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,0,0,0,0,0|2,0,2]=4 630 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [0,0,0,0,0,0|2,0,2]=4 631 B11R0.3 CC#CCCOCCCCCF 34a_100000750427_100000729378 [0,0,0,0,0,0|2,0,2]=4 632 B11R0.3 CC#CCCOCCCCCO 34a_100000750427_100000746330 [0,0,0,0,0,0|1,0,2]=3 633 B11R0.3 CC#CCCOCCOCCO 34a_100000750427_100000692535 [0,0,0,0,0,0|2,0,2]=4 634 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,0,0,0,0,0|2,0,2]=4 635 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,0,0,0,0,0|2,0,2]=4 636 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,0,0,0,0,0|2,0,2]=4 637 B11R0.3 CC#CCNCCCCCCF 2230a_100000685387_100015922095 [0,0,0,0,0,0|2,0,2]=4 638 B11R0.3 CC#CCNCCCCCCF 34a_100000685387_100015922095 [0,0,0,0,0,0|2,0,2]=4 639 B11R0.3 CC#CCNCCCCCCO 2230a_100000685387_100000766143 [0,0,0,0,0,0|1,0,2]=3 640 B11R0.3 CC#CCNCCCCCCO 2230a_100000686447_100000748600 [0,0,0,0,0,0|1,0,2]=3 641 B11R0.3 CC#CCNCCCCCCO 34a_100000685387_100000766143 [0,0,0,0,0,0|1,0,2]=3 642 B11R0.3 CC#CCNCCCCCCO 34a_100000686447_100000748600 [0,0,0,0,0,0|1,0,2]=3 643 B11R0.3 CC#CCOCCCCCCBr 34a_100011215345_100000748600 [0,0,0,0,0,0|2,0,2]=4 644 B11R0.3 CC#CCOCCCCCCBr 7a_100011215345_100000748600 [0,0,0,0,0,0|2,0,2]=4 645 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,0,0,0,0,0|2,0,2]=4 646 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,0,0,0,0,0|2,0,2]=4 647 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,0,0,0,0,0|2,0,2]=4 648 B11R0.3 CC#CCOCCCCCCCl 34a_100000766143_100000748600 [0,0,0,0,0,0|2,0,2]=4 649 B11R0.3 CC#CCOCCCCCCCl 7a_100000766143_100000748600 [0,0,0,0,0,0|2,0,2]=4 650 B11R0.3 CC#CCOCCCCCCF 34a_100000732779_100000748600 [0,0,0,0,0,0|2,0,2]=4 651 B11R0.3 CC#CCOCCCCCCF 34a_100000761923_100015922095 [0,0,0,0,0,0|2,0,2]=4 652 B11R0.3 CC#CCOCCCCCCF 7a_100000732779_100000748600 [0,0,0,0,0,0|2,0,2]=4 653 B11R0.3 CC#CCOCCCCCCN 34a_100000686447_100000748600 [0,0,0,0,0,0|2,0,2]=4 654 B11R0.3 CC#CCOCCCCCCO 34a_100000761923_100000766143 [0,0,0,0,0,0|1,0,2]=3 655 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [0,0,0,0,0,0|2,0,2]=4 656 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [0,0,0,0,0,0|2,0,2]=4 657 B11R0.3 CC#CCSCCCCCCF 62a_100000748600_100015922095 [0,0,0,0,0,0|2,0,2]=4 658 B11R0.3 CC#CCSCCCCCCF 62a_100015922095_100000748600 [0,0,0,0,0,0|2,0,2]=4 659 B11R0.3 CC#CCSCCCCCCO 62a_100000748600_100000766143 [0,0,0,0,0,0|1,0,2]=3 660 B11R0.3 CC#CCSCCCCCCO 62a_100000766143_100000748600 [0,0,0,0,0,0|1,0,2]=3 661 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,0,0,0,0,0|2,0,2]=4 662 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,0,0,0,0,0|2,0,2]=4 663 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,0,0,0,0,0|2,0,2]=4 664 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,0,0,0,0,0|2,0,2]=4 665 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,0,0,0,0,0|1,0,2]=3 666 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,0,0,0,0,0|1,0,2]=3 667 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,0,0,0,0,0|2,0,2]=4 668 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,0,0,0,0,0|2,0,2]=4 669 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,0,0,0,0,0|2,0,2]=4 670 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [0,0,0,0,0,0|2,0,2]=4 671 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [0,0,0,0,0,0|2,0,2]=4 672 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,0,0,0,0,0|2,0,2]=4 673 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,0,0,0,0,0|2,0,2]=4 674 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [0,0,0,0,0,0|2,0,2]=4 675 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [0,0,0,0,0,0|2,0,2]=4 676 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,0,0,0,0,0|1,0,2]=3 677 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,0,0,0,0,0|1,0,2]=3 678 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,0,0,0,0,0|2,0,2]=4 679 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,0,0,0,0,0|1,0,2]=3 680 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,0,0,0,0,0|1,0,2]=3 681 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,0,0,0,0,0|2,0,2]=4 682 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,0,0,0,0,0|2,0,2]=4 683 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,0,0,0,0,0|2,0,2]=4 684 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,0,0,0,0,0|2,0,2]=4 685 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,0,0,0,0,0|2,0,2]=4 686 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,0,0,0,0,0|2,0,2]=4 687 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,0,0,0,0,0|2,0,2]=4 688 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,0,0,0,0,0|2,0,2]=4 689 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,0,0,0,0,0|2,0,2]=4 690 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,0,0,0,0,0|2,0,2]=4 691 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,0,0,0,0,0|2,0,2]=4 692 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,0,0,0,0,0|2,0,2]=4 693 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,0,0,0,0,0|2,0,2]=4 694 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,0,0,0,0,0|1,0,2]=3 695 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,0,0,0,0,0|1,0,2]=3 696 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,0,0,0,0,0|2,0,2]=4 697 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,0,0,0,0,0|2,0,2]=4 698 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,0,0,0,0,0|2,0,2]=4 699 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,0,0,0,0,0|2,0,2]=4 700 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,0,0,0,0,0|1,0,2]=3 701 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,0,0,0,0,0|1,0,2]=3 702 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,0,0,0,0,0|2,0,2]=4 703 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,0,0,0,0,0|1,0,2]=3 704 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,0,0,0,0,0|1,0,2]=3 705 B11R0.3 CC/C=C\CNCCOCCO 2230a_100000211614_100103147603 [0,0,0,0,0,0|2,0,2]=4 706 B11R0.3 CC/C=C\CNCCOCCO 34a_100000211614_100103147603 [0,0,0,0,0,0|2,0,2]=4 707 B11R0.3 CC/C=C\CNCCSCCO 2230a_100011219999_100103147603 [0,0,0,0,0,0|2,0,2]=4 708 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,0,0,0,0,0|2,0,2]=4 709 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,0,0,0,0,0|2,0,2]=4 710 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,0,0,0,0,0|2,0,2]=4 711 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,0,0,0,0,0|2,0,2]=4 712 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,0,0,0,0,0|2,0,2]=4 713 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,0,0,0,0,0|2,0,2]=4 714 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,0,0,0,0,0|2,0,2]=4 715 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,0,0,0,0,0|2,0,2]=4 716 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,0,0,0,0,0|2,0,2]=4 717 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,0,0,0,0,0|2,0,2]=4 718 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,0,0,0,0,0|2,0,2]=4 719 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,0,0,0,0,0|1,0,2]=3 720 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,0,0,0,0,0|2,0,2]=4 721 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,0,0,0,0,0|2,0,2]=4 722 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,0,0,0,0,0|2,0,2]=4 723 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,0,0,0,0,0|2,0,2]=4 724 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,0,0,0,0,0|2,0,2]=4 725 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,0,0,0,0,0|1,0,2]=3 726 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,0,0,0,0,0|1,0,2]=3 727 B11R0.3 CC/C=C\CSCCOCCO 62a_100011215305_100103147603 [0,0,0,0,0,0|2,0,2]=4 728 B11R0.3 CC/C=C\CSCCOCCO 62a_100103147603_100011215305 [0,0,0,0,0,0|2,0,2]=4 729 B11R0.3 CC=C=CCCOCCCCO 34a_100011020354_100011216708 [0,0,0,0,0,0|1,0,3]=4 730 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,0,0,0,0,0|2,0,2]=4 731 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,0,0,0,0,0|2,0,2]=4 732 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,0,0,0,0,0|1,0,2]=3 733 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,0,0,0,0,0|2,0,2]=4 734 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,0,0,0,0,0|1,0,2]=3 735 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,0,0,0,0,0|1,0,2]=3 736 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,0,0,0,0,0|2,0,2]=4 737 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,0,0,0,0,0|2,0,2]=4 738 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 739 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 740 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,0,0,0,0,0|2,0,2]=4 741 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,0,0,0,0,0|2,0,2]=4 742 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,0,0,0,0,0|2,0,2]=4 743 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,0,0,0,0,0|2,0,2]=4 744 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,0,0,0,0,0|2,0,2]=4 745 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,0,0,0,0,0|2,0,2]=4 746 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,0,0,0,0,0|2,0,2]=4 747 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,0,0,0,0,0|2,0,2]=4 748 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,0,0,0,0,0|2,0,2]=4 749 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,0,0,0,0,0|1,0,2]=3 750 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,0,0,0,0,0|1,0,2]=3 751 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,0,0,0,0,0|2,0,2]=4 752 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,0,0,0,0,0|2,0,2]=4 753 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,0,0,0,0,0|2,0,2]=4 754 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,0,0,0,0,0|2,0,2]=4 755 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,0,0,0,0,0|2,0,2]=4 756 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,0,0,0,0,0|2,0,2]=4 757 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,0,0,0,0,0|2,0,2]=4 758 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,0,0,0,0,0|2,0,2]=4 759 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [0,0,0,0,0,0|2,0,2]=4 760 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [0,0,0,0,0,0|2,0,2]=4 761 B11R0.3 CCC#CCCOCCCCF 34a_100000036655_100000729493 [0,0,0,0,0,0|2,0,2]=4 762 B11R0.3 CCC#CCCOCCCCF 7a_100000036655_100000729493 [0,0,0,0,0,0|2,0,2]=4 763 B11R0.3 CCC#CCCOCCCCO 34a_100000036655_100011216708 [0,0,0,0,0,0|1,0,2]=3 764 B11R0.3 CCC#CCCOCCCCO 7a_100000036655_100000210776 [0,0,0,0,0,0|1,0,2]=3 765 B11R0.3 CCC#CCNCCCCCC 2230a_100000210581_100009813939 [0,0,0,0,0,0|2,0,2]=4 766 B11R0.3 CCC#CCNCCCCCO 2230a_100000762737_100009813939 [0,0,0,0,0,0|1,0,2]=3 767 B11R0.3 CCC#CCNCCCCCO 34a_100000762737_100009813939 [0,0,0,0,0,0|1,0,2]=3 768 B11R0.3 CCC#CCNCCOCCO 2230a_100000211614_100009813939 [0,0,0,0,0,0|2,0,2]=4 769 B11R0.3 CCC#CCNCCOCCO 34a_100000211614_100009813939 [0,0,0,0,0,0|2,0,2]=4 770 B11R0.3 CCC#CCNCCSCCO 2230a_100011219999_100009813939 [0,0,0,0,0,0|2,0,2]=4 771 B11R0.3 CCC#CCOCCCCCBr 34a_100000746331_100009813939 [0,0,0,0,0,0|2,0,2]=4 772 B11R0.3 CCC#CCOCCCCCBr 7a_100000746331_100009813939 [0,0,0,0,0,0|2,0,2]=4 773 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [0,0,0,0,0,0|2,0,2]=4 774 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [0,0,0,0,0,0|2,0,2]=4 775 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [0,0,0,0,0,0|2,0,2]=4 776 B11R0.3 CCC#CCOCCCCCCl 34a_100000746330_100009813939 [0,0,0,0,0,0|2,0,2]=4 777 B11R0.3 CCC#CCOCCCCCCl 7a_100000746330_100009813939 [0,0,0,0,0,0|2,0,2]=4 778 B11R0.3 CCC#CCOCCCCCF 34a_100000032950_100000729378 [0,0,0,0,0,0|2,0,2]=4 779 B11R0.3 CCC#CCOCCCCCI 34a_200012148887_100009813939 [0,0,0,0,0,0|2,0,2]=4 780 B11R0.3 CCC#CCOCCCCCI 7a_200012148887_100009813939 [0,0,0,0,0,0|2,0,2]=4 781 B11R0.3 CCC#CCOCCCCCN 34a_100000762737_100009813939 [0,0,0,0,0,0|2,0,2]=4 782 B11R0.3 CCC#CCOCCCCCO 34a_100000032950_100000746330 [0,0,0,0,0,0|1,0,2]=3 783 B11R0.3 CCC#CCOCCOCCO 34a_100000032950_100000692535 [0,0,0,0,0,0|2,0,2]=4 784 B11R0.3 CCC#CCSCCCCCC 62a_100000210314_100009813939 [0,0,0,0,0,0|2,0,2]=4 785 B11R0.3 CCC#CCSCCCCCC 62a_100009813939_100000210757 [0,0,0,0,0,0|2,0,2]=4 786 B11R0.3 CCC#CCSCCCCCF 62a_100000729378_100009813939 [0,0,0,0,0,0|2,0,2]=4 787 B11R0.3 CCC#CCSCCCCCF 62a_100009813939_100000729378 [0,0,0,0,0,0|2,0,2]=4 788 B11R0.3 CCC#CCSCCCCCO 62a_100000746330_100009813939 [0,0,0,0,0,0|1,0,2]=3 789 B11R0.3 CCC#CCSCCCCCO 62a_100009813939_100000746330 [0,0,0,0,0,0|1,0,2]=3 790 B11R0.3 CCC#CCSCCOCCO 62a_100009813939_100011215305 [0,0,0,0,0,0|2,0,2]=4 791 B11R0.3 CCC#CCSCCOCCO 62a_100011215305_100009813939 [0,0,0,0,0,0|2,0,2]=4 792 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,0,0,0,0,0|2,0,2]=4 793 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,0,0,0,0,0|2,0,2]=4 794 B11R0.3 CCC/C=C/COCCCCF 34a_100016278788_100000729493 [0,0,0,0,0,0|2,0,2]=4 795 B11R0.3 CCC/C=C/COCCCCF 7a_100016278788_100000729493 [0,0,0,0,0,0|2,0,2]=4 796 B11R0.3 CCC/C=C/COCCCCO 34a_100016278788_100011216708 [0,0,0,0,0,0|1,0,2]=3 797 B11R0.3 CCC/C=C/COCCCCO 7a_100016278788_100000210776 [0,0,0,0,0,0|1,0,2]=3 798 B11R0.3 CCCC#CCCOCCCC 34a_100000042726_100000210210 [0,0,0,0,0,0|2,0,2]=4 799 B11R0.3 CCCC#CCCOCCCC 7a_100000042726_100000210211 [0,0,0,0,0,0|2,0,2]=4 800 B11R0.3 CCCC#CCCOCCCF 34a_100000042726_100011934791 [0,0,0,0,0,0|2,0,2]=4 801 B11R0.3 CCCC#CCCOCCCF 7a_100000042726_100011934791 [0,0,0,0,0,0|2,0,2]=4 802 B11R0.3 CCCC#CCCOCCCO 34a_100000042726_100000230001 [0,0,0,0,0,0|1,0,2]=3 803 B11R0.3 CCCC#CCCOCCCO 7a_100000042726_100011215043 [0,0,0,0,0,0|1,0,2]=3 804 B11R0.3 CCCC#CCOCCCCC 34a_100000034806_100000718602 [0,0,0,0,0,0|2,0,2]=4 805 B11R0.3 CCCC#CCOCCCCC 7a_100000034806_100000210326 [0,0,0,0,0,0|2,0,2]=4 806 B11R0.3 CCCC#CCOCCCCF 34a_100000034806_100000729493 [0,0,0,0,0,0|2,0,2]=4 807 B11R0.3 CCCC#CCOCCCCF 7a_100000034806_100000729493 [0,0,0,0,0,0|2,0,2]=4 808 B11R0.3 CCCC#CCOCCCCO 34a_100000034806_100011216708 [0,0,0,0,0,0|1,0,2]=3 809 B11R0.3 CCCC#CCOCCCCO 7a_100000034806_100000210776 [0,0,0,0,0,0|1,0,2]=3 810 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,0,0,0,0,0|2,0,2]=4 811 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,0,0,0,0,0|2,0,2]=4 812 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,0,0,0,0,0|2,0,2]=4 813 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,0,0,0,0,0|2,0,2]=4 814 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,0,0,0,0,0|2,0,2]=4 815 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,0,0,0,0,0|2,0,2]=4 816 B11R0.3 CCCC/C=C/COCCCF 34a_200016272032_100011934791 [0,0,0,0,0,0|2,0,2]=4 817 B11R0.3 CCCC/C=C/COCCCF 7a_200016272032_100011934791 [0,0,0,0,0,0|2,0,2]=4 818 B11R0.3 CCCC/C=C/COCCCO 34a_200016272032_100000230001 [0,0,0,0,0,0|1,0,2]=3 819 B11R0.3 CCCC/C=C/COCCCO 7a_200016272032_100011215043 [0,0,0,0,0,0|1,0,2]=3 820 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [0,0,0,0,0,0|2,0,2]=4 821 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [0,0,0,0,0,0|2,0,2]=4 822 B11R0.3 CCCC/C=C\CCOCCF 34a_200016286491_100011217306 [0,0,0,0,0,0|2,0,2]=4 823 B11R0.3 CCCC/C=C\CCOCCF 7a_200016286491_100011217306 [0,0,0,0,0,0|2,0,2]=4 824 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,0,0,0,0,0|1,0,2]=3 825 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,0,0,0,0,0|1,0,2]=3 826 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,0,0,0,0,0|2,0,2]=4 827 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,0,0,0,0,0|2,0,2]=4 828 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,0,0,0,0,0|2,0,2]=4 829 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,0,0,0,0,0|2,0,2]=4 830 B11R0.3 CCCCC#CCCCNCC 2230a_100015525214_200000047210 [0,0,0,0,0,0|2,0,2]=4 831 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [0,0,0,0,0,0|2,0,2]=4 832 B11R0.3 CCCCC#CCCCSCC 62a_100000210202_200000047210 [0,0,0,0,0,0|2,0,2]=4 833 B11R0.3 CCCCC#CCCCSCC 62a_200000047210_100000210202 [0,0,0,0,0,0|2,0,2]=4 834 B11R0.3 CCCCC#CCCCSCF 62a_100015361967_200000047210 [0,0,0,0,0,0|2,0,2]=4 835 B11R0.3 CCCCC#CCCCSCF 62a_200000047210_100015361967 [0,0,0,0,0,0|2,0,2]=4 836 B11R0.3 CCCCC#CCCOCCC 34a_100000037610_100000210303 [0,0,0,0,0,0|2,0,2]=4 837 B11R0.3 CCCCC#CCCOCCC 7a_100000037610_100000210303 [0,0,0,0,0,0|2,0,2]=4 838 B11R0.3 CCCCC#CCCOCCF 34a_100000037610_100011217306 [0,0,0,0,0,0|2,0,2]=4 839 B11R0.3 CCCCC#CCCOCCF 7a_100000037610_100011217306 [0,0,0,0,0,0|2,0,2]=4 840 B11R0.3 CCCCC#CCCOCCO 34a_100000037610_100000211926 [0,0,0,0,0,0|1,0,2]=3 841 B11R0.3 CCCCC#CCCOCCO 7a_100000037610_100000211926 [0,0,0,0,0,0|1,0,2]=3 842 B11R0.3 CCCCC#CCOCCCC 34a_200000034558_100000210210 [0,0,0,0,0,0|2,0,2]=4 843 B11R0.3 CCCCC#CCOCCCC 7a_200000034558_100000210211 [0,0,0,0,0,0|2,0,2]=4 844 B11R0.3 CCCCC#CCOCCCF 34a_200000034558_100011934791 [0,0,0,0,0,0|2,0,2]=4 845 B11R0.3 CCCCC#CCOCCCF 7a_200000034558_100011934791 [0,0,0,0,0,0|2,0,2]=4 846 B11R0.3 CCCCC#CCOCCCO 34a_200000034558_100000230001 [0,0,0,0,0,0|1,0,2]=3 847 B11R0.3 CCCCC#CCOCCCO 7a_200000034558_100011215043 [0,0,0,0,0,0|1,0,2]=3 848 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [0,0,0,0,0,0|2,0,2]=4 849 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [0,0,0,0,0,0|2,0,2]=4 850 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [0,0,0,0,0,0|2,0,2]=4 851 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [0,0,0,0,0,0|2,0,2]=4 852 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,0,0,0,0,0|1,0,2]=3 853 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,0,0,0,0,0|1,0,2]=3 854 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,0,0,0,0,0|2,0,2]=4 855 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,0,0,0,0,0|2,0,2]=4 856 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,0,0,0,0,0|2,0,2]=4 857 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,0,0,0,0,0|2,0,2]=4 858 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [0,0,0,0,0,0|2,0,2]=4 859 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [0,0,0,0,0,0|2,0,2]=4 860 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [0,0,0,0,0,0|2,0,2]=4 861 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [0,0,0,0,0,0|2,0,2]=4 862 B11R0.3 CCCCC=NNCCCCC 4a_100000694160_100000210104 [0,0,0,0,0,0|3,0,1]=4 863 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [0,0,0,0,0,0|2,0,2]=4 864 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [0,0,0,0,0,0|2,0,2]=4 865 B11R0.3 CCCCCC#CCCOCF 34a_200000042877_100015361967 [0,0,0,0,0,0|2,0,2]=4 866 B11R0.3 CCCCCC#CCCOCF 7a_200000042877_100015361967 [0,0,0,0,0,0|2,0,2]=4 867 B11R0.3 CCCCCC#CCNCCF 34a_100000724931_100009816472 [0,0,0,0,0,0|2,0,2]=4 868 B11R0.3 CCCCCC#CCNCCO 2230a_100016997473_100009816472 [0,0,0,0,0,0|1,0,2]=3 869 B11R0.3 CCCCCC#CCNCCO 34a_100016990907_100009816472 [0,0,0,0,0,0|1,0,2]=3 870 B11R0.3 CCCCCC#CCOCCBr 34a_100000211926_100009816472 [0,0,0,0,0,0|2,0,2]=4 871 B11R0.3 CCCCCC#CCOCCC 34a_100000210258_100009816472 [0,0,0,0,0,0|2,0,2]=4 872 B11R0.3 CCCCCC#CCOCCC 34a_200000033628_100000210303 [0,0,0,0,0,0|2,0,2]=4 873 B11R0.3 CCCCCC#CCOCCC 7a_200000033628_100000210303 [0,0,0,0,0,0|2,0,2]=4 874 B11R0.3 CCCCCC#CCOCCF 34a_200000033628_100011217306 [0,0,0,0,0,0|2,0,2]=4 875 B11R0.3 CCCCCC#CCOCCF 7a_200000033628_100011217306 [0,0,0,0,0,0|2,0,2]=4 876 B11R0.3 CCCCCC#CCOCCN 34a_100000210304_100009816472 [0,0,0,0,0,0|2,0,2]=4 877 B11R0.3 CCCCCC#CCOCCO 34a_200000033628_100000211926 [0,0,0,0,0,0|1,0,2]=3 878 B11R0.3 CCCCCC#CCOCCO 7a_200000033628_100000211926 [0,0,0,0,0,0|1,0,2]=3 879 B11R0.3 CCCCCC#CCSCCC 62a_100000210303_100009816472 [0,0,0,0,0,0|2,0,2]=4 880 B11R0.3 CCCCCC#CCSCCC 62a_100009816472_100000210303 [0,0,0,0,0,0|2,0,2]=4 881 B11R0.3 CCCCCC#CCSCCF 62a_100009816472_100011217306 [0,0,0,0,0,0|2,0,2]=4 882 B11R0.3 CCCCCC#CCSCCF 62a_100011217306_100009816472 [0,0,0,0,0,0|2,0,2]=4 883 B11R0.3 CCCCCC#CCSCCO 62a_100000211926_100009816472 [0,0,0,0,0,0|1,0,2]=3 884 B11R0.3 CCCCCC#CCSCCO 62a_100009816472_100000211926 [0,0,0,0,0,0|1,0,2]=3 885 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,0,0,0,0,0|2,0,2]=4 886 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,0,0,0,0,0|2,0,2]=4 887 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,0,0,0,0,0|2,0,2]=4 888 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,0,0,0,0,0|2,0,2]=4 889 B11R0.3 CCCCCC=NNCCCC 4a_100025702795_100000737632 [0,0,0,0,0,0|3,0,1]=4 890 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,0,0,0,0,0|2,0,2]=4 891 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,0,0,0,0,0|2,0,2]=4 892 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,0,0,0,0,0|2,0,2]=4 893 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,0,0,0,0,0|2,0,2]=4 894 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [0,0,0,0,0,0|2,0,2]=4 895 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [0,0,0,0,0,0|2,0,2]=4 896 B11R0.3 CCCCCCC#CCOCF 34a_200000037284_100015361967 [0,0,0,0,0,0|2,0,2]=4 897 B11R0.3 CCCCCCC#CCOCF 7a_200000037284_100015361967 [0,0,0,0,0,0|2,0,2]=4 898 B11R0.3 CCCCCCC=NNCCC 4a_100000740057_100000234349 [0,0,0,0,0,0|3,0,1]=4 899 B11R0.3 CCCCCCC=NNCCO 4a_100000210001_100000234349 [0,0,0,0,0,0|2,0,1]=3 900 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,0,0,0,0,0|2,0,2]=4 901 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,0,0,0,0,0|2,0,2]=4 902 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,0,0,0,0,0|2,0,2]=4 903 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,0,0,0,0,0|2,0,2]=4 904 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [0,0,0,0,0,0|3,0,1]=4 905 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,0,0,0,0,0|2,0,0]=2 906 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,0,0,0,0,0|2,0,0]=2 907 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,0,0,0,0,0|2,0,0]=2 908 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,0,0,0,0,0|2,0,0]=2 909 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,0,0,0,0,0|2,0,0]=2 910 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,0,0,0,0,0|2,0,0]=2 911 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,0,0,0,0,0|2,0,0]=2 912 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,0,0,0,0,0|2,0,0]=2 913 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,0,0,0,0,0|2,0,0]=2 914 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,0,0,0,0,0|2,0,0]=2 915 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,0,0,0,0,0|2,0,0]=2 916 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,0,0,0,0,0|2,0,0]=2 917 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,0,0,0,0,0|2,0,0]=2 918 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,0,0,0,0,0|2,0,0]=2 919 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,0,0,0,0,0|2,0,0]=2 920 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,0,0,0,0,0|2,0,0]=2 921 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,0,0,0,0,0|2,0,0]=2 922 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,0,0,0,0,0|2,0,0]=2 923 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,0,0,0,0,0|2,0,0]=2 924 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,0,0,0,0,0|2,0,0]=2 925 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,0,0,0,0,0|2,0,0]=2 926 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,0,0,0,0,0|2,0,0]=2 927 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,0,0,0,0,0|2,0,0]=2 928 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,0,0,0,0,0|2,0,0]=2 929 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,0,0,0,0,0|2,0,0]=2 930 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,0,0,0,0,0|2,0,1]=3 931 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,0,0,0,0,0|1,0,2]=3 932 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,0,0,0,0,0|1,0,2]=3 933 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,0,0,0,0,0|2,0,0]=2 934 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,0,0,0,0,0|2,0,0]=2 935 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,0,0,0,0,0|2,0,0]=2 936 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,0,0,0,0,0|2,0,0]=2 937 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,0,0,0,0,0|2,0,0]=2 938 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,0,0,0,0,0|1,0,0]=1 939 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,0,0,0,0,0|1,0,0]=1 940 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,0,0,0,0,0|1,0,0]=1 941 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,0,0,0,0,0|1,0,0]=1 942 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,0,0,0,0,0|3,0,0]=3 943 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,0,0,0,0,0|3,0,0]=3 944 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,0,0,0,0,0|3,0,0]=3 945 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,0,0,0,0,0|2,0,1]=3 946 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,0,0,0,0|1,0,2]=3 947 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,0,0,0,0|1,0,2]=3 948 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,0,0,0,0,0|2,0,0]=2 949 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,0,0,0,0,0|2,0,0]=2 950 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,0,0,0,0,0|2,0,0]=2 951 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,0,0,0,0,0|2,0,0]=2 952 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,0,0,0,0,0|2,0,0]=2 953 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,0,0,0,0,0|2,0,0]=2 954 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,0,0,0,0,0|2,0,0]=2 955 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,0,0,0,0,0|1,0,0]=1 956 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,0,0,0,0,0|1,0,0]=1 957 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,0,0,0,0,0|3,0,0]=3 958 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,0,0,0,0,0|2,0,1]=3 959 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,0,0,0,0,0|2,0,1]=3 960 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,0,0,0,0,0|1,0,2]=3 961 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,0,0,0,0,0|1,0,2]=3 962 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,0,0,0,0,0|2,0,0]=2 963 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,0,0,0,0,0|2,0,0]=2 964 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,0,0,0,0,0|2,0,0]=2 965 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,0,0,0,0,0|2,0,0]=2 966 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,0,0,0,0,0|1,0,0]=1 967 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,0,0,0,0,0|1,0,0]=1 968 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,0,0,0,0,0|3,0,0]=3 969 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,0,0,0,0,0|3,0,0]=3 970 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,0,0,0,0,0|3,0,0]=3 971 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,0,0,0,0,0|3,0,0]=3 972 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,0,0,0,0,0|2,0,1]=3 973 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,0,0,0,0,0|2,0,0]=2 974 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,0,0,0,0,0|2,0,0]=2 975 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,0,0,0,0,0|2,0,0]=2 976 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,0,0,0,0,0|2,0,0]=2 977 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,0,0,0,0,0|2,0,0]=2 978 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,0,0,0,0,0|2,0,0]=2 979 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,0,0,0,0,0|1,0,0]=1 980 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,0,0,0,0,0|3,0,0]=3 981 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,0,0,0,0,0|3,0,0]=3 982 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,0,0,0,0,0|3,0,0]=3 983 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,0,0,0,0,0|3,0,0]=3 984 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,0,0,0,0,0|2,0,1]=3 985 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,0,0,0,0,0|2,0,0]=2 986 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,0,0,0,0,0|2,0,0]=2 987 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,0,0,0,0,0|2,0,0]=2 988 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,0,0,0,0,0|2,0,0]=2 989 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,0,0,0,0,0|2,0,0]=2 990 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,0,0,0,0,0|2,0,0]=2 991 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,0,0,0,0,0|2,0,0]=2 992 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,0,0,0,0,0|2,0,0]=2 993 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,0,0,0,0,0|2,0,0]=2 994 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,0,0,0,0,0|2,0,0]=2 995 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,0,0,0,0,0|1,0,0]=1 996 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,0,0,0,0,0|1,0,0]=1 997 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,0,0,0,0,0|3,0,0]=3 998 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,0,0,0,0,0|3,0,0]=3 999 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,0,0,0,0,0|3,0,0]=3 1000 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,0,0,0,0,0|3,0,0]=3 1001 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,0,0,0,0,0|3,0,0]=3 1002 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,0,0,0,0,0|3,0,0]=3 1003 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,0,0,0,0,0|3,0,0]=3 1004 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,0,0,0,0,0|3,0,0]=3 1005 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,0,0,0,0,0|2,0,1]=3 1006 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,0,0,0,0,0|2,0,1]=3 1007 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,0,0,0,0,0|2,0,0]=2 1008 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,0,0,0,0,0|2,0,0]=2 1009 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,0,0,0,0,0|2,0,0]=2 1010 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,0,0,0,0,0|2,0,0]=2 1011 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,0,0,0,0,0|1,0,0]=1 1012 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,0,0,0,0,0|1,0,0]=1 1013 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,0,0,0,0,0|3,0,0]=3 1014 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,0,0,0,0,0|3,0,0]=3 1015 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,0,0,0,0,0|3,0,0]=3 1016 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,0,0,0,0,0|3,0,0]=3 1017 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,0,0,0,0,0|3,0,0]=3 1018 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,0,0,0,0,0|3,0,0]=3 1019 B11R0.3 CCCCCCCSCSC#N 62a_100000210614_100000211825 [0,0,0,0,0,0|3,0,1]=4 1020 B11R0.3 CCCCCCCSCSC#N 62a_100000211825_100000210316 [0,0,0,0,0,0|3,0,1]=4 1021 B11R0.3 CCCCCCNCC#CCO 2230a_100000210581_200000047223 [0,0,0,0,0,0|1,0,2]=3 1022 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,0,0,0,0,0|2,0,1]=3 1023 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,0,0,0,0,0|1,0,2]=3 1024 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,0,0,0,0,0|2,0,0]=2 1025 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,0,0,0,0,0|2,0,0]=2 1026 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,0,0,0,0,0|2,0,0]=2 1027 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,0,0,0,0,0|1,0,0]=1 1028 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,0,0,0,0,0|1,0,0]=1 1029 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,0,0,0,0,0|1,0,0]=1 1030 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,0,0,0,0,0|3,0,0]=3 1031 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,0,0,0,0,0|3,0,0]=3 1032 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,0,0,0,0,0|3,0,0]=3 1033 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,0,0,0,0,0|3,0,0]=3 1034 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,0,0,0,0,0|3,0,0]=3 1035 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,0,0,0,0,0|3,0,0]=3 1036 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,0,0,0,0,0|3,0,0]=3 1037 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,0,0,0,0,0|3,0,0]=3 1038 B11R0.3 CCCCCCOCC#CCCl 34a_200000047223_100000210314 [0,0,0,0,0,0|2,0,2]=4 1039 B11R0.3 CCCCCCOCC#CCO 34a_100000210259_200000047223 [0,0,0,0,0,0|1,0,2]=3 1040 B11R0.3 CCCCCCOCC#CCO 7a_100000210259_200000047223 [0,0,0,0,0,0|1,0,2]=3 1041 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,0,0,0,0,0|2,0,1]=3 1042 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,0,0,0,0,0|1,0,2]=3 1043 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,0,0,0,0,0|2,0,0]=2 1044 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,0,0,0,0,0|2,0,0]=2 1045 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,0,0,0,0,0|2,0,0]=2 1046 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,0,0,0,0,0|2,0,0]=2 1047 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,0,0,0,0,0|2,0,0]=2 1048 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,0,0,0,0,0|2,0,0]=2 1049 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,0,0,0,0,0|2,0,0]=2 1050 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,0,0,0,0,0|2,0,0]=2 1051 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,0,0,0,0,0|2,0,0]=2 1052 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,0,0,0,0,0|2,0,0]=2 1053 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,0,0,0,0,0|2,0,0]=2 1054 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,0,0,0,0,0|2,0,0]=2 1055 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,0,0,0,0,0|2,0,0]=2 1056 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,0,0,0,0,0|1,0,0]=1 1057 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,0,0,0,0,0|1,0,0]=1 1058 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,0,0,0,0,0|3,0,0]=3 1059 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,0,0,0,0,0|3,0,0]=3 1060 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,0,0,0,0,0|3,0,0]=3 1061 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,0,0,0,0,0|3,0,0]=3 1062 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,0,0,0,0,0|3,0,0]=3 1063 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,0,0,0,0,0|3,0,0]=3 1064 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,0,0,0,0,0|3,0,0]=3 1065 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,0,0,0,0,0|3,0,0]=3 1066 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,0,0,0,0,0|3,0,0]=3 1067 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,0,0,0,0,0|3,0,0]=3 1068 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,0,0,0,0,0|3,0,0]=3 1069 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,0,0,0,0,0|3,0,0]=3 1070 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,0,0,0,0,0|3,0,0]=3 1071 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,0,0,0,0,0|3,0,0]=3 1072 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,0,0,0,0,0|3,0,0]=3 1073 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,0,0,0,0,0|3,0,0]=3 1074 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,0,0,0,0,0|3,0,0]=3 1075 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,0,0,0,0,0|3,0,0]=3 1076 B11R0.3 CCCCCCSCC#CCO 62a_100000210314_200000047223 [0,0,0,0,0,0|1,0,2]=3 1077 B11R0.3 CCCCCCSCC#CCO 62a_200000047223_100000210757 [0,0,0,0,0,0|1,0,2]=3 1078 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,0,0,0,0,0|2,0,1]=3 1079 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,0,0,0,0,0|2,0,1]=3 1080 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,0,0,0,0,0|1,0,2]=3 1081 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,0,0,0,0,0|1,0,2]=3 1082 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,0,0,0,0,0|2,0,0]=2 1083 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,0,0,0,0,0|2,0,0]=2 1084 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,0,0,0,0,0|2,0,0]=2 1085 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,0,0,0,0,0|2,0,0]=2 1086 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,0,0,0,0,0|1,0,0]=1 1087 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,0,0,0,0,0|1,0,0]=1 1088 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,0,0,0,0,0|3,0,0]=3 1089 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,0,0,0,0,0|3,0,0]=3 1090 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,0,0,0,0,0|3,0,0]=3 1091 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,0,0,0,0,0|3,0,0]=3 1092 B11R0.3 CCCCCCSCCSC#N 62a_100000034367_100000210757 [0,0,0,0,0,0|3,0,1]=4 1093 B11R0.3 CCCCCCSCCSC#N 62a_100000210314_100000034367 [0,0,0,0,0,0|3,0,1]=4 1094 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,0,0,0,0,0|3,0,0]=3 1095 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,0,0,0,0,0|3,0,0]=3 1096 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,0,0,0,0,0|2,0,1]=3 1097 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,0,0,0,0,0|1,0,2]=3 1098 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,0,0,0,0,0|2,0,0]=2 1099 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,0,0,0,0,0|1,0,0]=1 1100 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,0,0,0,0,0|1,0,0]=1 1101 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,0,0,0,0,0|1,0,0]=1 1102 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,0,0,0,0,0|3,0,0]=3 1103 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,0,0,0,0,0|4,0,0]=4 1104 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,0,0,0,0,0|3,0,0]=3 1105 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,0,0,0,0,0|3,0,0]=3 1106 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,0,0,0,0,0|3,0,0]=3 1107 B11R0.3 CCCCCNCCOCC#N 2230a_100000209983_200000047693 [0,0,0,0,0,0|3,0,1]=4 1108 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,0,0,0,0,0|2,0,2]=4 1109 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,0,0,0,0,0|3,0,0]=3 1110 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,0,0,0,0,0|3,0,0]=3 1111 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,0,0,0,0,0|3,0,0]=3 1112 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,0,0,0,0,0|3,0,0]=3 1113 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,0,0,0,0,0|3,0,0]=3 1114 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,0,0,0,0,0|2,0,0]=2 1115 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,0,0,0,0,0|2,0,0]=2 1116 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,0,0,0,0,0|2,0,0]=2 1117 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,0,0,0,0,0|2,0,0]=2 1118 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [0,0,0,0,0,0|4,0,0]=4 1119 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,0,0,0,0,0|3,0,0]=3 1120 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,0,0,0,0,0|2,0,0]=2 1121 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,0,0,0,0,0|3,0,0]=3 1122 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,0,0,0,0,0|4,0,0]=4 1123 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,0,0,0,0,0|2,0,1]=3 1124 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,0,0,0,0,0|1,0,2]=3 1125 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,0,0,0,0,0|2,0,0]=2 1126 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,0,0,0,0,0|2,0,0]=2 1127 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,0,0,0,0,0|2,0,0]=2 1128 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,0,0,0,0,0|2,0,0]=2 1129 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,0,0,0,0,0|2,0,0]=2 1130 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,0,0,0,0,0|2,0,0]=2 1131 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,0,0,0,0,0|2,0,0]=2 1132 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,0,0,0,0,0|2,0,0]=2 1133 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,0,0,0,0,0|2,0,0]=2 1134 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,0,0,0,0,0|1,0,0]=1 1135 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,0,0,0,0,0|1,0,0]=1 1136 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,0,0,0,0,0|3,0,0]=3 1137 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,0,0,0,0,0|3,0,0]=3 1138 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,0,0,0,0,0|3,0,0]=3 1139 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,0,0,0,0,0|3,0,0]=3 1140 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,0,0,0,0,0|3,0,0]=3 1141 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,0,0,0,0,0|3,0,0]=3 1142 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,0,0,0,0,0|3,0,0]=3 1143 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,0,0,0,0,0|3,0,0]=3 1144 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,0,0,0,0,0|3,0,0]=3 1145 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,0,0,0,0,0|3,0,0]=3 1146 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,0,0,0,0,0|3,0,0]=3 1147 B11R0.3 CCCCCOCCOCC#N 7a_100000210253_200000047693 [0,0,0,0,0,0|3,0,1]=4 1148 B11R0.3 CCCCCOCCOCC#N 7a_100011215259_100011215382 [0,0,0,0,0,0|3,0,1]=4 1149 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,0,0,0,0,0|2,0,2]=4 1150 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,0,0,0,0,0|2,0,2]=4 1151 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,0,0,0,0,0|3,0,0]=3 1152 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,0,0,0,0,0|3,0,0]=3 1153 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,0,0,0,0,0|3,0,0]=3 1154 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,0,0,0,0,0|3,0,0]=3 1155 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,0,0,0,0,0|3,0,0]=3 1156 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,0,0,0,0,0|3,0,0]=3 1157 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,0,0,0,0,0|3,0,0]=3 1158 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,0,0,0,0,0|3,0,0]=3 1159 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,0,0,0,0,0|3,0,0]=3 1160 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,0,0,0,0,0|3,0,0]=3 1161 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,0,0,0,0,0|3,0,0]=3 1162 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,0,0,0,0,0|3,0,0]=3 1163 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,0,0,0,0,0|3,0,0]=3 1164 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,0,0,0,0,0|3,0,0]=3 1165 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,0,0,0,0,0|3,0,0]=3 1166 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,0,0,0,0,0|3,0,0]=3 1167 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,0,0,0,0,0|3,0,0]=3 1168 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,0,0,0,0,0|2,0,0]=2 1169 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,0,0,0,0,0|2,0,0]=2 1170 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,0,0,0,0,0|2,0,0]=2 1171 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,0,0,0,0,0|2,0,0]=2 1172 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [0,0,0,0,0,0|4,0,0]=4 1173 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,0,0,0,0,0|3,0,0]=3 1174 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,0,0,0,0,0|3,0,0]=3 1175 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,0,0,0,0,0|3,0,0]=3 1176 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,0,0,0,0,0|2,0,1]=3 1177 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,0,0,0,0,0|2,0,1]=3 1178 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,0,0,0,0,0|1,0,2]=3 1179 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,0,0,0,0,0|1,0,2]=3 1180 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,0,0,0,0,0|2,0,0]=2 1181 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,0,0,0,0,0|2,0,0]=2 1182 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,0,0,0,0,0|1,0,0]=1 1183 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,0,0,0,0,0|1,0,0]=1 1184 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,0,0,0,0,0|3,0,0]=3 1185 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,0,0,0,0,0|3,0,0]=3 1186 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,0,0,0,0,0|3,0,0]=3 1187 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,0,0,0,0,0|3,0,0]=3 1188 B11R0.3 CCCCCSCCOCC#N 62a_100000210326_200000047693 [0,0,0,0,0,0|3,0,1]=4 1189 B11R0.3 CCCCCSCCOCC#N 62a_200000047693_100000210326 [0,0,0,0,0,0|3,0,1]=4 1190 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,0,0,0,0,0|3,0,0]=3 1191 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,0,0,0,0,0|3,0,0]=3 1192 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,0,0,0,0,0|2,0,0]=2 1193 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,0,0,0,0,0|2,0,0]=2 1194 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,0,0,0,0,0|3,0,0]=3 1195 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,0,0,0,0,0|3,0,0]=3 1196 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,0,0,0,0,0|4,0,0]=4 1197 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,0,0,0,0,0|4,0,0]=4 1198 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,0,0,0,0,0|2,0,1]=3 1199 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,0,0,0,0,0|2,0,1]=3 1200 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,0,0,0,0,0|1,0,2]=3 1201 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,0,0,0,0,0|1,0,2]=3 1202 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,0,0,0,0,0|2,0,0]=2 1203 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,0,0,0,0,0|2,0,0]=2 1204 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,0,0,0,0,0|1,0,0]=1 1205 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,0,0,0,0,0|1,0,0]=1 1206 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,0,0,0,0,0|1,0,0]=1 1207 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,0,0,0,0,0|1,0,0]=1 1208 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,0,0,0,0,0|3,0,0]=3 1209 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,0,0,0,0,0|3,0,0]=3 1210 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,0,0,0,0,0|4,0,0]=4 1211 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,0,0,0,0,0|3,0,0]=3 1212 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,0,0,0,0,0|3,0,0]=3 1213 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,0,0,0,0,0|3,0,0]=3 1214 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,0,0,0,0,0|3,0,0]=3 1215 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,0,0,0,0,0|3,0,0]=3 1216 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,0,0,0,0,0|3,0,0]=3 1217 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,0,0,0,0,0|4,0,0]=4 1218 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,0,0,0,0,0|4,0,0]=4 1219 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,0,0,0,0,0|4,0,0]=4 1220 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,0,0,0,0,0|4,0,0]=4 1221 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,0,0,0,0,0|3,0,0]=3 1222 B11R0.3 CCCCNN=CCCCCO 4a_100025702795_100000031955 [0,0,0,0,0,0|2,0,1]=3 1223 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,0,0,0,0,0|2,0,1]=3 1224 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,0,0,0,0,0|1,0,2]=3 1225 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,0,0,0,0,0|2,0,0]=2 1226 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,0,0,0,0,0|2,0,0]=2 1227 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,0,0,0,0,0|2,0,0]=2 1228 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,0,0,0,0,0|2,0,0]=2 1229 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,0,0,0,0,0|2,0,0]=2 1230 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,0,0,0,0,0|2,0,0]=2 1231 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,0,0,0,0,0|2,0,0]=2 1232 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,0,0,0,0,0|2,0,0]=2 1233 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,0,0,0,0,0|2,0,0]=2 1234 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,0,0,0,0,0|1,0,0]=1 1235 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,0,0,0,0,0|1,0,0]=1 1236 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,0,0,0,0,0|3,0,0]=3 1237 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,0,0,0,0,0|3,0,0]=3 1238 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,0,0,0,0,0|3,0,0]=3 1239 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,0,0,0,0,0|3,0,0]=3 1240 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,0,0,0,0,0|3,0,0]=3 1241 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,0,0,0,0,0|3,0,1]=4 1242 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,0,0,0,0,0|2,0,2]=4 1243 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,0,0,0,0,0|2,0,2]=4 1244 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,0,0,0,0,0|3,0,0]=3 1245 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,0,0,0,0,0|3,0,0]=3 1246 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,0,0,0,0,0|3,0,0]=3 1247 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,0,0,0,0,0|3,0,0]=3 1248 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,0,0,0,0,0|2,0,0]=2 1249 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,0,0,0,0,0|2,0,0]=2 1250 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,0,0,0,0,0|4,0,0]=4 1251 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,0,0,0,0,0|4,0,0]=4 1252 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,0,0,0,0,0|4,0,0]=4 1253 B11R0.3 CCCCOCCCOCC#N 7a_200011215613_100011215382 [0,0,0,0,0,0|3,0,1]=4 1254 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,0,0,0,0,0|2,0,2]=4 1255 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,0,0,0,0,0|2,0,2]=4 1256 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,0,0,0,0,0|3,0,0]=3 1257 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,0,0,0,0,0|3,0,0]=3 1258 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,0,0,0,0,0|3,0,0]=3 1259 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,0,0,0,0,0|3,0,0]=3 1260 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,0,0,0,0,0|2,0,0]=2 1261 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,0,0,0,0,0|2,0,0]=2 1262 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,0,0,0,0,0|4,0,0]=4 1263 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,0,0,0,0,0|3,0,0]=3 1264 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,0,0,0,0,0|3,0,0]=3 1265 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,0,0,0,0,0|4,0,0]=4 1266 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,0,0,0,0,0|4,0,0]=4 1267 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,0,0,0,0,0|3,0,1]=4 1268 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,0,0,0,0,0|3,0,0]=3 1269 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,0,0,0,0,0|3,0,0]=3 1270 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,0,0,0,0,0|3,0,0]=3 1271 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,0,0,0,0,0|3,0,0]=3 1272 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,0,0,0,0,0|3,0,0]=3 1273 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,0,0,0,0,0|3,0,0]=3 1274 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,0,0,0,0,0|3,0,0]=3 1275 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,0,0,0,0,0|3,0,0]=3 1276 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,0,0,0,0,0|3,0,0]=3 1277 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,0,0,0,0,0|3,0,0]=3 1278 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,0,0,0,0,0|2,0,0]=2 1279 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,0,0,0,0,0|2,0,0]=2 1280 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,0,0,0,0,0|4,0,0]=4 1281 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,0,0,0,0,0|4,0,0]=4 1282 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,0,0,0,0,0|4,0,0]=4 1283 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,0,0,0,0,0|4,0,0]=4 1284 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,0,0,0,0,0|4,0,0]=4 1285 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,0,0,0,0,0|4,0,0]=4 1286 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,0,0,0,0,0|4,0,0]=4 1287 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,0,0,0,0,0|4,0,0]=4 1288 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,0,0,0,0,0|4,0,0]=4 1289 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,0,0,0,0,0|4,0,0]=4 1290 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,0,0,0,0,0|4,0,0]=4 1291 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,0,0,0,0,0|4,0,0]=4 1292 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,0,0,0,0,0|4,0,0]=4 1293 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,0,0,0,0,0|4,0,0]=4 1294 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,0,0,0,0,0|4,0,0]=4 1295 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,0,0,0,0,0|4,0,0]=4 1296 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,0,0,0,0,0|4,0,0]=4 1297 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,0,0,0,0,0|3,0,1]=4 1298 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,0,0,0,0,0|3,0,1]=4 1299 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,0,0,0,0,0|3,0,0]=3 1300 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,0,0,0,0,0|3,0,0]=3 1301 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,0,0,0,0,0|3,0,0]=3 1302 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,0,0,0,0,0|3,0,0]=3 1303 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,0,0,0,0,0|3,0,0]=3 1304 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,0,0,0,0,0|3,0,0]=3 1305 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,0,0,0,0,0|2,0,0]=2 1306 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,0,0,0,0,0|2,0,0]=2 1307 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,0,0,0,0,0|4,0,0]=4 1308 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,0,0,0,0,0|4,0,0]=4 1309 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,0,0,0,0,0|4,0,0]=4 1310 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,0,0,0,0,0|4,0,0]=4 1311 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [0,0,0,0,0,0|4,0,0]=4 1312 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [0,0,0,0,0,0|4,0,0]=4 1313 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,0,0,0,0,0|2,0,0]=2 1314 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,0,0,0,0,0|2,0,0]=2 1315 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,0,0,0,0,0|4,0,0]=4 1316 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,0,0,0,0,0|4,0,0]=4 1317 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [0,0,0,0,0,0|4,0,0]=4 1318 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [0,0,0,0,0,0|4,0,0]=4 1319 B11R0.3 CCCCOCNCCSCC 2230a_100000106463_100011995733 [0,0,0,0,0,0|4,0,0]=4 1320 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [0,0,0,0,0,0|3,0,0]=3 1321 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [0,0,0,0,0,0|3,0,0]=3 1322 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [0,0,0,0,0,0|3,0,0]=3 1323 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [0,0,0,0,0,0|3,0,0]=3 1324 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [0,0,0,0,0,0|3,0,0]=3 1325 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,0,0,0,0,0|4,0,0]=4 1326 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,0,0,0,0,0|4,0,0]=4 1327 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,0,0,0,0,0|4,0,0]=4 1328 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [0,0,0,0,0,0|4,0,0]=4 1329 B11R0.3 CCCCOCOCCSCC 34a_100000212035_100011995733 [0,0,0,0,0,0|4,0,0]=4 1330 B11R0.3 CCCCOCSCC#CCO 62a_100011995733_200000047223 [0,0,0,0,0,0|2,0,2]=4 1331 B11R0.3 CCCCOCSCC#CCO 62a_200000047223_100011995733 [0,0,0,0,0,0|2,0,2]=4 1332 B11R0.3 CCCCOCSCCCC#N 62a_100000687738_100011995733 [0,0,0,0,0,0|3,0,1]=4 1333 B11R0.3 CCCCOCSCCCC#N 62a_100011995733_100000687738 [0,0,0,0,0,0|3,0,1]=4 1334 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,0,0,0,0,0|2,0,2]=4 1335 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,0,0,0,0,0|2,0,2]=4 1336 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [0,0,0,0,0,0|3,0,0]=3 1337 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [0,0,0,0,0,0|3,0,0]=3 1338 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,0,0,0,0,0|2,0,0]=2 1339 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,0,0,0,0,0|2,0,0]=2 1340 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,0,0,0,0,0|4,0,0]=4 1341 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,0,0,0,0,0|4,0,0]=4 1342 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [0,0,0,0,0,0|4,0,0]=4 1343 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [0,0,0,0,0,0|4,0,0]=4 1344 B11R0.3 CCCCOCSCCSCC 62a_100000757381_100011995733 [0,0,0,0,0,0|4,0,0]=4 1345 B11R0.3 CCCCOCSCCSCC 62a_100011995733_100000757381 [0,0,0,0,0,0|4,0,0]=4 1346 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,0,0,0,0,0|2,0,1]=3 1347 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,0,0,0,0,0|2,0,1]=3 1348 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,0,0,0,0,0|1,0,2]=3 1349 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,0,0,0,0,0|1,0,2]=3 1350 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,0,0,0,0,0|2,0,0]=2 1351 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,0,0,0,0,0|2,0,0]=2 1352 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,0,0,0,0,0|1,0,0]=1 1353 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,0,0,0,0,0|1,0,0]=1 1354 B11R0.3 CCCCSCCNCCC#N 2230a_100025743550_100011215226 [0,0,0,0,0,0|3,0,1]=4 1355 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [0,0,0,0,0,0|3,0,0]=3 1356 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,0,0,0,0,0|2,0,0]=2 1357 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,0,0,0,0,0|4,0,0]=4 1358 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,0,0,0,0,0|4,0,0]=4 1359 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,0,0,0,0,0|3,0,1]=4 1360 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,0,0,0,0,0|3,0,0]=3 1361 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,0,0,0,0,0|3,0,0]=3 1362 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,0,0,0,0,0|2,0,0]=2 1363 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,0,0,0,0,0|2,0,0]=2 1364 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,0,0,0,0,0|4,0,0]=4 1365 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,0,0,0,0,0|4,0,0]=4 1366 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,0,0,0,0,0|4,0,0]=4 1367 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,0,0,0,0,0|4,0,0]=4 1368 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,0,0,0,0,0|4,0,0]=4 1369 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,0,0,0,0,0|4,0,0]=4 1370 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,0,0,0,0,0|1,0,0]=1 1371 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,0,0,0,0,0|1,0,0]=1 1372 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,0,0,0,0,0|2,0,0]=2 1373 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,0,0,0,0,0|2,0,0]=2 1374 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,0,0,0,0,0|4,0,0]=4 1375 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,0,0,0,0,0|4,0,0]=4 1376 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [0,0,0,0,0,0|4,0,0]=4 1377 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [0,0,0,0,0,0|4,0,0]=4 1378 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,0,0,0,0,0|2,0,0]=2 1379 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,0,0,0,0,0|2,0,0]=2 1380 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,0,0,0,0,0|2,0,0]=2 1381 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,0,0,0,0,0|1,0,0]=1 1382 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,0,0,0,0,0|3,0,0]=3 1383 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,0,0,0,0,0|3,0,0]=3 1384 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,0,0,0,0,0|3,0,0]=3 1385 B11R0.3 CCCOCCCNCCC#N 2230a_100011217757_100011215226 [0,0,0,0,0,0|3,0,1]=4 1386 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [0,0,0,0,0,0|3,0,0]=3 1387 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [0,0,0,0,0,0|3,0,0]=3 1388 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,0,0,0,0,0|2,0,0]=2 1389 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,0,0,0,0,0|2,0,0]=2 1390 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,0,0,0,0,0|4,0,0]=4 1391 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,0,0,0,0,0|4,0,0]=4 1392 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [0,0,0,0,0,0|4,0,0]=4 1393 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [0,0,0,0,0,0|4,0,0]=4 1394 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,0,0,0,0,0|3,0,0]=3 1395 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,0,0,0,0,0|4,0,0]=4 1396 B11R0.3 CCCOCCNCC#CCO 2230a_100161115042_200000047223 [0,0,0,0,0,0|2,0,2]=4 1397 B11R0.3 CCCOCCNCC#CCO 34a_100161115042_200000047223 [0,0,0,0,0,0|2,0,2]=4 1398 B11R0.3 CCCOCCNCCCC#N 2230a_100161115042_100000687738 [0,0,0,0,0,0|3,0,1]=4 1399 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,0,0,0,0,0|2,0,2]=4 1400 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [0,0,0,0,0,0|3,0,0]=3 1401 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [0,0,0,0,0,0|3,0,0]=3 1402 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,0,0,0,0,0|2,0,0]=2 1403 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,0,0,0,0,0|2,0,0]=2 1404 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,0,0,0,0,0|2,0,0]=2 1405 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,0,0,0,0,0|2,0,0]=2 1406 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,0,0,0,0,0|4,0,0]=4 1407 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,0,0,0,0,0|4,0,0]=4 1408 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,0,0,0,0,0|4,0,0]=4 1409 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [0,0,0,0,0,0|4,0,0]=4 1410 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [0,0,0,0,0,0|4,0,0]=4 1411 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [0,0,0,0,0,0|4,0,0]=4 1412 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [0,0,0,0,0,0|4,0,0]=4 1413 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [0,0,0,0,0,0|4,0,0]=4 1414 B11R0.3 CCCOCCNCCSCC 2230a_100000106463_100011215938 [0,0,0,0,0,0|4,0,0]=4 1415 B11R0.3 CCCOCCNCCSCC 2230a_100161115042_100000757381 [0,0,0,0,0,0|4,0,0]=4 1416 B11R0.3 CCCOCCNCCSCC 34a_100161115042_100000757381 [0,0,0,0,0,0|4,0,0]=4 1417 B11R0.3 CCCOCCOCC#CCO 34a_100000752267_200000047223 [0,0,0,0,0,0|2,0,2]=4 1418 B11R0.3 CCCOCCOCC#CCO 7a_100000752267_200000047223 [0,0,0,0,0,0|2,0,2]=4 1419 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,0,0,0,0,0|3,0,1]=4 1420 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,0,0,0,0,0|2,0,2]=4 1421 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,0,0,0,0,0|3,0,0]=3 1422 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,0,0,0,0,0|3,0,0]=3 1423 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,0,0,0,0,0|3,0,0]=3 1424 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,0,0,0,0,0|3,0,0]=3 1425 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,0,0,0,0,0|3,0,0]=3 1426 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,0,0,0,0,0|3,0,0]=3 1427 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,0,0,0,0,0|3,0,0]=3 1428 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,0,0,0,0,0|3,0,0]=3 1429 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,0,0,0,0,0|3,0,0]=3 1430 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,0,0,0,0,0|2,0,0]=2 1431 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,0,0,0,0,0|2,0,0]=2 1432 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,0,0,0,0,0|4,0,0]=4 1433 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,0,0,0,0,0|4,0,0]=4 1434 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,0,0,0,0,0|4,0,0]=4 1435 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,0,0,0,0,0|4,0,0]=4 1436 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,0,0,0,0,0|4,0,0]=4 1437 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,0,0,0,0,0|4,0,0]=4 1438 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [0,0,0,0,0,0|4,0,0]=4 1439 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [0,0,0,0,0,0|4,0,0]=4 1440 B11R0.3 CCCOCCOCCNCF 34a_200011904461_100015361967 [0,0,0,0,0,0|4,0,0]=4 1441 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [0,0,0,0,0,0|4,0,0]=4 1442 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [0,0,0,0,0,0|4,0,0]=4 1443 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [0,0,0,0,0,0|4,0,0]=4 1444 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [0,0,0,0,0,0|4,0,0]=4 1445 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [0,0,0,0,0,0|4,0,0]=4 1446 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [0,0,0,0,0,0|4,0,0]=4 1447 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [0,0,0,0,0,0|4,0,0]=4 1448 B11R0.3 CCCOCCOCCSCC 34a_100000212035_100011215938 [0,0,0,0,0,0|4,0,0]=4 1449 B11R0.3 CCCOCCOCCSCC 34a_100000752267_100000757381 [0,0,0,0,0,0|4,0,0]=4 1450 B11R0.3 CCCOCCOCCSCC 7a_100000212035_100011215938 [0,0,0,0,0,0|4,0,0]=4 1451 B11R0.3 CCCOCCOCCSCC 7a_100000752267_100000757381 [0,0,0,0,0,0|4,0,0]=4 1452 B11R0.3 CCCOCCSCC#CCO 62a_100011215938_200000047223 [0,0,0,0,0,0|2,0,2]=4 1453 B11R0.3 CCCOCCSCC#CCO 62a_200000047223_100011215938 [0,0,0,0,0,0|2,0,2]=4 1454 B11R0.3 CCCOCCSCCCC#N 62a_100000687738_100011215938 [0,0,0,0,0,0|3,0,1]=4 1455 B11R0.3 CCCOCCSCCCC#N 62a_100011215938_100000687738 [0,0,0,0,0,0|3,0,1]=4 1456 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,0,0,0,0,0|2,0,2]=4 1457 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,0,0,0,0,0|2,0,2]=4 1458 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [0,0,0,0,0,0|3,0,0]=3 1459 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [0,0,0,0,0,0|3,0,0]=3 1460 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,0,0,0,0,0|2,0,0]=2 1461 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,0,0,0,0,0|2,0,0]=2 1462 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,0,0,0,0,0|4,0,0]=4 1463 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,0,0,0,0,0|4,0,0]=4 1464 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [0,0,0,0,0,0|4,0,0]=4 1465 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [0,0,0,0,0,0|4,0,0]=4 1466 B11R0.3 CCCOCCSCCSCC 62a_100000757381_100011215938 [0,0,0,0,0,0|4,0,0]=4 1467 B11R0.3 CCCOCCSCCSCC 62a_100011215938_100000757381 [0,0,0,0,0,0|4,0,0]=4 1468 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,0,0,0,0,0|2,0,1]=3 1469 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,0,0,0,0,0|2,0,1]=3 1470 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,0,0,0,0,0|1,0,0]=1 1471 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,0,0,0,0,0|1,0,0]=1 1472 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,0,0,0,0,0|3,0,0]=3 1473 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,0,0,0,0,0|3,0,0]=3 1474 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,0,0,0,0,0|4,0,0]=4 1475 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,0,0,0,0,0|4,0,0]=4 1476 B11R0.3 CCCSCCNCC#CCO 2230a_100020603323_200000047223 [0,0,0,0,0,0|2,0,2]=4 1477 B11R0.3 CCCSCCNCCCC#N 2230a_100020603323_100000687738 [0,0,0,0,0,0|3,0,1]=4 1478 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,0,0,0,0,0|2,0,2]=4 1479 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [0,0,0,0,0,0|3,0,0]=3 1480 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,0,0,0,0,0|2,0,0]=2 1481 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,0,0,0,0,0|4,0,0]=4 1482 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [0,0,0,0,0,0|4,0,0]=4 1483 B11R0.3 CCCSCCNCCSCC 2230a_100020603323_100000757381 [0,0,0,0,0,0|4,0,0]=4 1484 B11R0.3 CCCSCCOCC#CCO 34a_200000230433_200000047223 [0,0,0,0,0,0|2,0,2]=4 1485 B11R0.3 CCCSCCOCC#CCO 7a_200000230433_200000047223 [0,0,0,0,0,0|2,0,2]=4 1486 B11R0.3 CCCSCCOCCCC#N 7a_200000230433_100000687738 [0,0,0,0,0,0|3,0,1]=4 1487 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,0,0,0,0,0|2,0,2]=4 1488 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [0,0,0,0,0,0|3,0,0]=3 1489 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [0,0,0,0,0,0|3,0,0]=3 1490 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,0,0,0,0,0|2,0,0]=2 1491 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,0,0,0,0,0|2,0,0]=2 1492 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,0,0,0,0,0|4,0,0]=4 1493 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,0,0,0,0,0|4,0,0]=4 1494 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [0,0,0,0,0,0|4,0,0]=4 1495 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [0,0,0,0,0,0|4,0,0]=4 1496 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [0,0,0,0,0,0|4,0,0]=4 1497 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [0,0,0,0,0,0|4,0,0]=4 1498 B11R0.3 CCCSCCOCCSCC 34a_200000230433_100000757381 [0,0,0,0,0,0|4,0,0]=4 1499 B11R0.3 CCCSCCOCCSCC 7a_200000230433_100000757381 [0,0,0,0,0,0|4,0,0]=4 1500 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,0,0,0,0,0|1,0,0]=1 1501 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,0,0,0,0,0|1,0,0]=1 1502 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,0,0,0,0,0|1,0,0]=1 1503 B11R0.3 CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210202 [0,0,0,0,0,0|4,0,0]=4 1504 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,0,0,0,0,0|3,0,0]=3 1505 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,0,0,0,0,0|3,0,0]=3 1506 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,0,0,0,0,0|3,0,0]=3 1507 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,0,0,0,0,0|2,0,0]=2 1508 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,0,0,0,0,0|2,0,0]=2 1509 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,0,0,0,0,0|2,0,0]=2 1510 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,0,0,0,0,0|2,0,0]=2 1511 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,0,0,0,0,0|2,0,0]=2 1512 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,0,0,0,0,0|1,0,0]=1 1513 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,0,0,0,0,0|3,0,0]=3 1514 B11R0.3 CCOCCCNCC#CCO 2230a_100000210961_200000047223 [0,0,0,0,0,0|2,0,2]=4 1515 B11R0.3 CCOCCCNCC#CCO 34a_100000210961_200000047223 [0,0,0,0,0,0|2,0,2]=4 1516 B11R0.3 CCOCCCNCCCC#N 2230a_100000210961_100000687738 [0,0,0,0,0,0|3,0,1]=4 1517 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,0,0,0,0,0|2,0,2]=4 1518 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [0,0,0,0,0,0|3,0,0]=3 1519 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [0,0,0,0,0,0|3,0,0]=3 1520 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,0,0,0,0,0|2,0,0]=2 1521 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,0,0,0,0,0|2,0,0]=2 1522 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,0,0,0,0,0|2,0,0]=2 1523 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,0,0,0,0,0|2,0,0]=2 1524 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,0,0,0,0,0|4,0,0]=4 1525 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,0,0,0,0,0|4,0,0]=4 1526 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,0,0,0,0,0|4,0,0]=4 1527 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,0,0,0,0,0|4,0,0]=4 1528 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [0,0,0,0,0,0|4,0,0]=4 1529 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [0,0,0,0,0,0|4,0,0]=4 1530 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [0,0,0,0,0,0|4,0,0]=4 1531 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [0,0,0,0,0,0|4,0,0]=4 1532 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [0,0,0,0,0,0|4,0,0]=4 1533 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [0,0,0,0,0,0|4,0,0]=4 1534 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [0,0,0,0,0,0|4,0,0]=4 1535 B11R0.3 CCOCCCOCC#CCO 34a_100000757476_200000047223 [0,0,0,0,0,0|2,0,2]=4 1536 B11R0.3 CCOCCCOCC#CCO 7a_100000757476_200000047223 [0,0,0,0,0,0|2,0,2]=4 1537 B11R0.3 CCOCCCOCCCC#N 7a_100000757476_100000687738 [0,0,0,0,0,0|3,0,1]=4 1538 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,0,0,0,0,0|2,0,2]=4 1539 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [0,0,0,0,0,0|3,0,0]=3 1540 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [0,0,0,0,0,0|3,0,0]=3 1541 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [0,0,0,0,0,0|3,0,0]=3 1542 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [0,0,0,0,0,0|3,0,0]=3 1543 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [0,0,0,0,0,0|3,0,0]=3 1544 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [0,0,0,0,0,0|3,0,0]=3 1545 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [0,0,0,0,0,0|3,0,0]=3 1546 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [0,0,0,0,0,0|3,0,0]=3 1547 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [0,0,0,0,0,0|3,0,0]=3 1548 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,0,0,0,0,0|2,0,0]=2 1549 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,0,0,0,0,0|2,0,0]=2 1550 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [0,0,0,0,0,0|4,0,0]=4 1551 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,0,0,0,0,0|4,0,0]=4 1552 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,0,0,0,0,0|4,0,0]=4 1553 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,0,0,0,0,0|4,0,0]=4 1554 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,0,0,0,0,0|4,0,0]=4 1555 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,0,0,0,0,0|4,0,0]=4 1556 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,0,0,0,0,0|4,0,0]=4 1557 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,0,0,0,0,0|4,0,0]=4 1558 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [0,0,0,0,0,0|4,0,0]=4 1559 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [0,0,0,0,0,0|4,0,0]=4 1560 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [0,0,0,0,0,0|4,0,0]=4 1561 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [0,0,0,0,0,0|4,0,0]=4 1562 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [0,0,0,0,0,0|4,0,0]=4 1563 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [0,0,0,0,0,0|4,0,0]=4 1564 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [0,0,0,0,0,0|4,0,0]=4 1565 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [0,0,0,0,0,0|4,0,0]=4 1566 B11R0.3 CCOCCCSCC#CCO 62a_100012232248_200000047223 [0,0,0,0,0,0|2,0,2]=4 1567 B11R0.3 CCOCCCSCC#CCO 62a_200000047223_100012232248 [0,0,0,0,0,0|2,0,2]=4 1568 B11R0.3 CCOCCCSCCCC#N 62a_100000687738_100012232248 [0,0,0,0,0,0|3,0,1]=4 1569 B11R0.3 CCOCCCSCCCC#N 62a_100012232248_100000687738 [0,0,0,0,0,0|3,0,1]=4 1570 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,0,0,0,0,0|2,0,2]=4 1571 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,0,0,0,0,0|2,0,2]=4 1572 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [0,0,0,0,0,0|3,0,0]=3 1573 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [0,0,0,0,0,0|3,0,0]=3 1574 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,0,0,0,0,0|2,0,0]=2 1575 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,0,0,0,0,0|2,0,0]=2 1576 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,0,0,0,0,0|4,0,0]=4 1577 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,0,0,0,0,0|4,0,0]=4 1578 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [0,0,0,0,0,0|4,0,0]=4 1579 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [0,0,0,0,0,0|4,0,0]=4 1580 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [0,0,0,0,0,0|4,0,0]=4 1581 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [0,0,0,0,0,0|4,0,0]=4 1582 B11R0.3 CCOCCNCCCCC#N 2230a_102516460346_100000211819 [0,0,0,0,0,0|3,0,1]=4 1583 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,0,0,0,0,0|2,0,2]=4 1584 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [0,0,0,0,0,0|3,0,0]=3 1585 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [0,0,0,0,0,0|3,0,0]=3 1586 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,0,0,0,0,0|2,0,0]=2 1587 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,0,0,0,0,0|2,0,0]=2 1588 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,0,0,0,0,0|2,0,0]=2 1589 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,0,0,0,0,0|2,0,0]=2 1590 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,0,0,0,0,0|4,0,0]=4 1591 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,0,0,0,0,0|4,0,0]=4 1592 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,0,0,0,0,0|3,0,0]=3 1593 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,0,0,0,0,0|3,0,0]=3 1594 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,0,0,0,0,0|3,0,0]=3 1595 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,0,0,0,0,0|3,0,0]=3 1596 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,0,0,0,0,0|3,0,0]=3 1597 B11R0.3 CCOCCOCCCCC#N 7a_100000210136_100000211819 [0,0,0,0,0,0|3,0,1]=4 1598 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,0,0,0,0,0|2,0,2]=4 1599 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,0,0,0,0,0|3,0,0]=3 1600 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,0,0,0,0,0|3,0,0]=3 1601 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,0,0,0,0,0|3,0,0]=3 1602 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,0,0,0,0,0|3,0,0]=3 1603 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,0,0,0,0,0|3,0,0]=3 1604 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,0,0,0,0,0|3,0,0]=3 1605 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,0,0,0,0,0|3,0,0]=3 1606 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,0,0,0,0,0|3,0,0]=3 1607 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,0,0,0,0,0|3,0,0]=3 1608 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,0,0,0,0,0|2,0,0]=2 1609 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,0,0,0,0,0|2,0,0]=2 1610 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,0,0,0,0,0|4,0,0]=4 1611 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,0,0,0,0,0|4,0,0]=4 1612 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,0,0,0,0,0|4,0,0]=4 1613 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,0,0,0,0,0|4,0,0]=4 1614 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,0,0,0,0,0|4,0,0]=4 1615 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [0,0,0,0,0,0|4,0,0]=4 1616 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [0,0,0,0,0,0|4,0,0]=4 1617 B11R0.3 CCOCCOCCNCCF 2230a_100102712874_100011217306 [0,0,0,0,0,0|4,0,0]=4 1618 B11R0.3 CCOCCOCCNCCF 34a_100000724931_100011211534 [0,0,0,0,0,0|4,0,0]=4 1619 B11R0.3 CCOCCOCCNCCF 34a_100102712874_100011217306 [0,0,0,0,0,0|4,0,0]=4 1620 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,0,0,0,0,0|3,0,0]=3 1621 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,0,0,0,0,0|3,0,0]=3 1622 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,0,0,0,0,0|3,0,0]=3 1623 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,0,0,0,0,0|3,0,0]=3 1624 B11R0.3 CCOCCOCCOCCBr 34a_100000211926_100011211534 [0,0,0,0,0,0|4,0,0]=4 1625 B11R0.3 CCOCCOCCOCCBr 34a_100000692535_100000210147 [0,0,0,0,0,0|4,0,0]=4 1626 B11R0.3 CCOCCOCCOCCBr 34a_100010132937_100000210202 [0,0,0,0,0,0|4,0,0]=4 1627 B11R0.3 CCOCCOCCOCCBr 7a_100000692535_100011215890 [0,0,0,0,0,0|4,0,0]=4 1628 B11R0.3 CCOCCOCCOCCBr 7a_100010132937_100000210202 [0,0,0,0,0,0|4,0,0]=4 1629 B11R0.3 CCOCCOCCOCCCl 34a_100000032323_100000210202 [0,0,0,0,0,0|4,0,0]=4 1630 B11R0.3 CCOCCOCCOCCCl 34a_100011215305_100000210147 [0,0,0,0,0,0|4,0,0]=4 1631 B11R0.3 CCOCCOCCOCCCl 7a_100000032323_100000210202 [0,0,0,0,0,0|4,0,0]=4 1632 B11R0.3 CCOCCOCCOCCCl 7a_100011215305_100011215890 [0,0,0,0,0,0|4,0,0]=4 1633 B11R0.3 CCOCCOCCOCCF 34a_100000210240_100011217306 [0,0,0,0,0,0|4,0,0]=4 1634 B11R0.3 CCOCCOCCOCCF 34a_200015357709_100000210147 [0,0,0,0,0,0|4,0,0]=4 1635 B11R0.3 CCOCCOCCOCCF 7a_100000210240_100011217306 [0,0,0,0,0,0|4,0,0]=4 1636 B11R0.3 CCOCCOCCOCCF 7a_200015357709_100011215890 [0,0,0,0,0,0|4,0,0]=4 1637 B11R0.3 CCOCCOCCOCCI 34a_100012149058_100000210147 [0,0,0,0,0,0|4,0,0]=4 1638 B11R0.3 CCOCCOCCOCCI 7a_100012149058_100011215890 [0,0,0,0,0,0|4,0,0]=4 1639 B11R0.3 CCOCCOCCOCCN 34a_100000210304_100011211534 [0,0,0,0,0,0|4,0,0]=4 1640 B11R0.3 CCOCCOCCOCCN 34a_100000211614_100000210147 [0,0,0,0,0,0|4,0,0]=4 1641 B11R0.3 CCOCCOCCOCCN 34a_100011998139_100000210202 [0,0,0,0,0,0|4,0,0]=4 1642 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,0,0,0,0,0|3,0,0]=3 1643 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,0,0,0,0,0|3,0,0]=3 1644 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,0,0,0,0,0|3,0,0]=3 1645 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,0,0,0,0,0|3,0,0]=3 1646 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,0,0,0,0,0|3,0,0]=3 1647 B11R0.3 CCOCCOCCSCCF 62a_100011211534_100011217306 [0,0,0,0,0,0|4,0,0]=4 1648 B11R0.3 CCOCCOCCSCCF 62a_100011217306_100011211534 [0,0,0,0,0,0|4,0,0]=4 1649 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,0,0,0,0,0|3,0,0]=3 1650 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,0,0,0,0,0|3,0,0]=3 1651 B11R0.3 CCOCCSCCCCC#N 62a_100000210147_100000211819 [0,0,0,0,0,0|3,0,1]=4 1652 B11R0.3 CCOCCSCCCCC#N 62a_100011219923_100011215890 [0,0,0,0,0,0|3,0,1]=4 1653 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,0,0,0,0,0|2,0,2]=4 1654 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,0,0,0,0,0|2,0,2]=4 1655 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [0,0,0,0,0,0|3,0,0]=3 1656 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [0,0,0,0,0,0|3,0,0]=3 1657 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,0,0,0,0,0|2,0,0]=2 1658 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,0,0,0,0,0|2,0,0]=2 1659 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,0,0,0,0,0|4,0,0]=4 1660 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,0,0,0,0,0|4,0,0]=4 1661 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,0,0,0,0,0|3,0,0]=3 1662 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,0,0,0,0,0|3,0,0]=3 1663 B11R0.3 CCOCSCCCCCC#N 62a_100000739092_100009813376 [0,0,0,0,0,0|3,0,1]=4 1664 B11R0.3 CCOCSCCCCCC#N 62a_100009813376_100000739092 [0,0,0,0,0,0|3,0,1]=4 1665 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,0,0,0,0,0|2,0,2]=4 1666 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,0,0,0,0,0|2,0,2]=4 1667 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [0,0,0,0,0,0|3,0,0]=3 1668 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [0,0,0,0,0,0|3,0,0]=3 1669 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,0,0,0,0,0|2,0,0]=2 1670 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,0,0,0,0,0|2,0,0]=2 1671 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,0,0,0,0,0|1,0,0]=1 1672 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,0,0,0,0,0|1,0,0]=1 1673 B11R0.3 CCSCCCOCC#CCO 34a_100011216438_200000047223 [0,0,0,0,0,0|2,0,2]=4 1674 B11R0.3 CCSCCCOCC#CCO 7a_100011216438_200000047223 [0,0,0,0,0,0|2,0,2]=4 1675 B11R0.3 CCSCCCOCCCC#N 7a_100011216438_100000687738 [0,0,0,0,0,0|3,0,1]=4 1676 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,0,0,0,0,0|2,0,2]=4 1677 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [0,0,0,0,0,0|3,0,0]=3 1678 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [0,0,0,0,0,0|3,0,0]=3 1679 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,0,0,0,0,0|2,0,0]=2 1680 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,0,0,0,0,0|2,0,0]=2 1681 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,0,0,0,0,0|4,0,0]=4 1682 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,0,0,0,0,0|4,0,0]=4 1683 B11R0.3 CCSCCCOCCSCC 34a_100011216438_100000757381 [0,0,0,0,0,0|4,0,0]=4 1684 B11R0.3 CCSCCCOCCSCC 7a_100011216438_100000757381 [0,0,0,0,0,0|4,0,0]=4 1685 B11R0.3 CCSCCNCCCCC#N 2230a_100000106463_100000211819 [0,0,0,0,0,0|3,0,1]=4 1686 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,0,0,0,0,0|2,0,2]=4 1687 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [0,0,0,0,0,0|3,0,0]=3 1688 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,0,0,0,0,0|2,0,0]=2 1689 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,0,0,0,0,0|2,0,0]=2 1690 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,0,0,0,0,0|2,0,0]=2 1691 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,0,0,0,0,0|4,0,0]=4 1692 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,0,0,0,0,0|3,0,0]=3 1693 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,0,0,0,0,0|3,0,0]=3 1694 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,0,0,0,0,0|3,0,0]=3 1695 B11R0.3 CCSCCNCCSCCO 2230a_100011219999_100000757381 [0,0,0,0,0,0|3,0,0]=3 1696 B11R0.3 CCSCCOCCCCC#N 7a_100000212035_100000211819 [0,0,0,0,0,0|3,0,1]=4 1697 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,0,0,0,0,0|2,0,2]=4 1698 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [0,0,0,0,0,0|3,0,0]=3 1699 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [0,0,0,0,0,0|3,0,0]=3 1700 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [0,0,0,0,0,0|3,0,0]=3 1701 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [0,0,0,0,0,0|3,0,0]=3 1702 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [0,0,0,0,0,0|3,0,0]=3 1703 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [0,0,0,0,0,0|3,0,0]=3 1704 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [0,0,0,0,0,0|3,0,0]=3 1705 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [0,0,0,0,0,0|3,0,0]=3 1706 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [0,0,0,0,0,0|3,0,0]=3 1707 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,0,0,0,0,0|2,0,0]=2 1708 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,0,0,0,0,0|2,0,0]=2 1709 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,0,0,0,0,0|4,0,0]=4 1710 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,0,0,0,0,0|4,0,0]=4 1711 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,0,0,0,0,0|4,0,0]=4 1712 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,0,0,0,0,0|4,0,0]=4 1713 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,0,0,0,0,0|4,0,0]=4 1714 B11R0.3 CCSCCOCCOCCBr 34a_100000692535_100000757381 [0,0,0,0,0,0|4,0,0]=4 1715 B11R0.3 CCSCCOCCOCCBr 7a_100000692535_100000757381 [0,0,0,0,0,0|4,0,0]=4 1716 B11R0.3 CCSCCOCCOCCCl 34a_100011215305_100000757381 [0,0,0,0,0,0|4,0,0]=4 1717 B11R0.3 CCSCCOCCOCCCl 7a_100011215305_100000757381 [0,0,0,0,0,0|4,0,0]=4 1718 B11R0.3 CCSCCOCCOCCF 34a_200015357709_100000757381 [0,0,0,0,0,0|4,0,0]=4 1719 B11R0.3 CCSCCOCCOCCF 7a_200015357709_100000757381 [0,0,0,0,0,0|4,0,0]=4 1720 B11R0.3 CCSCCOCCOCCI 34a_100012149058_100000757381 [0,0,0,0,0,0|4,0,0]=4 1721 B11R0.3 CCSCCOCCOCCI 7a_100012149058_100000757381 [0,0,0,0,0,0|4,0,0]=4 1722 B11R0.3 CCSCCOCCOCCN 34a_100000211614_100000757381 [0,0,0,0,0,0|4,0,0]=4 1723 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,0,0,0,0,0|3,0,0]=3 1724 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,0,0,0,0,0|3,0,0]=3 1725 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,0,0,0,0,0|3,0,0]=3 1726 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,0,0,0,0,0|3,0,0]=3 1727 B11R0.3 CCSCCSCCCCC#N 62a_100000757381_100000211819 [0,0,0,0,0,0|3,0,1]=4 1728 B11R0.3 CCSCCSCCCCC#N 62a_100011219923_100000757381 [0,0,0,0,0,0|3,0,1]=4 1729 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,0,0,0,0,0|2,0,2]=4 1730 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,0,0,0,0,0|2,0,2]=4 1731 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [0,0,0,0,0,0|3,0,0]=3 1732 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [0,0,0,0,0,0|3,0,0]=3 1733 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,0,0,0,0,0|2,0,0]=2 1734 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,0,0,0,0,0|2,0,0]=2 1735 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,0,0,0,0,0|4,0,0]=4 1736 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,0,0,0,0,0|4,0,0]=4 1737 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,0,0,0,0,0|3,0,0]=3 1738 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,0,0,0,0,0|3,0,0]=3 1739 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,0,0,0,0,0|1,0,0]=1 1740 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,0,0,0,0,0|1,0,0]=1 1741 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,0,0,0,0,0|1,0,0]=1 1742 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,0,0,0,0,0|1,0,0]=1 1743 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,0,0,0,0,0|1,0,0]=1 1744 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,0,0,0,0,0|3,0,0]=3 1745 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,0,0,0,0,0|2,0,0]=2 1746 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,0,0,0,0,0|4,0,0]=4 1747 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,0,0,0,0,0|4,0,0]=4 1748 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,0,0,0,0,0|3,0,0]=3 1749 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,0,0,0,0,0|2,0,0]=2 1750 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,0,0,0,0,0|4,0,0]=4 1751 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,0,0,0,0,0|3,0,0]=3 1752 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,0,0,0,0,0|3,0,0]=3 1753 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,0,0,0,0,0|3,0,0]=3 1754 B11R0.3 CNCCOCCOCCCF 34a_100000228057_100011934791 [0,0,0,0,0,0|4,0,0]=4 1755 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,0,0,0,0,0|3,0,0]=3 1756 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,0,0,0,0,0|2,0,0]=2 1757 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,0,0,0,0,0|2,0,0]=2 1758 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,0,0,0,0,0|2,0,0]=2 1759 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,0,0,0,0,0|2,0,0]=2 1760 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,0,0,0,0,0|2,0,0]=2 1761 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,0,0,0,0,0|1,0,0]=1 1762 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,0,0,0,0,0|3,0,0]=3 1763 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,0,0,0,0,0|2,0,0]=2 1764 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,0,0,0,0,0|2,0,0]=2 1765 B11R0.3 COCCCCCCOCC#N 7a_200012092642_100011215382 [0,0,0,0,0,0|3,0,1]=4 1766 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,0,0,0,0,0|2,0,2]=4 1767 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,0,0,0,0,0|2,0,2]=4 1768 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,0,0,0,0,0|3,0,0]=3 1769 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,0,0,0,0,0|3,0,0]=3 1770 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,0,0,0,0,0|3,0,0]=3 1771 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,0,0,0,0,0|3,0,0]=3 1772 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,0,0,0,0,0|2,0,0]=2 1773 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,0,0,0,0,0|2,0,0]=2 1774 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,0,0,0,0,0|4,0,0]=4 1775 B11R0.3 COCCCCCCSCC#N 62a_100011215382_100011998445 [0,0,0,0,0,0|3,0,1]=4 1776 B11R0.3 COCCCCCCSCC#N 62a_100011998445_100011215382 [0,0,0,0,0,0|3,0,1]=4 1777 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,0,0,0,0,0|2,0,2]=4 1778 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,0,0,0,0,0|2,0,2]=4 1779 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,0,0,0,0,0|3,0,0]=3 1780 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,0,0,0,0,0|3,0,0]=3 1781 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,0,0,0,0,0|2,0,0]=2 1782 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,0,0,0,0,0|2,0,0]=2 1783 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,0,0,0,0,0|4,0,0]=4 1784 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,0,0,0,0,0|4,0,0]=4 1785 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,0,0,0,0,0|4,0,0]=4 1786 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,0,0,0,0,0|4,0,0]=4 1787 B11R0.3 COCCCCCNCCC#N 2230a_100000747528_100011215226 [0,0,0,0,0,0|3,0,1]=4 1788 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,0,0,0,0,0|3,0,0]=3 1789 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,0,0,0,0,0|3,0,0]=3 1790 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,0,0,0,0,0|2,0,0]=2 1791 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,0,0,0,0,0|2,0,0]=2 1792 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,0,0,0,0,0|4,0,0]=4 1793 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,0,0,0,0,0|4,0,0]=4 1794 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,0,0,0,0,0|4,0,0]=4 1795 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,0,0,0,0,0|4,0,0]=4 1796 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,0,0,0,0,0|2,0,0]=2 1797 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,0,0,0,0,0|2,0,0]=2 1798 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,0,0,0,0,0|4,0,0]=4 1799 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,0,0,0,0,0|4,0,0]=4 1800 B11R0.3 COCCCCOCC#CCO 34a_100000740925_200000047223 [0,0,0,0,0,0|2,0,2]=4 1801 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,0,0,0,0,0|3,0,0]=3 1802 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,0,0,0,0,0|3,0,0]=3 1803 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,0,0,0,0,0|3,0,0]=3 1804 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,0,0,0,0,0|3,0,0]=3 1805 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,0,0,0,0,0|3,0,0]=3 1806 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,0,0,0,0,0|3,0,0]=3 1807 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,0,0,0,0,0|3,0,0]=3 1808 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,0,0,0,0,0|3,0,0]=3 1809 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,0,0,0,0,0|2,0,0]=2 1810 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,0,0,0,0,0|4,0,0]=4 1811 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,0,0,0,0,0|4,0,0]=4 1812 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,0,0,0,0,0|4,0,0]=4 1813 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,0,0,0,0,0|4,0,0]=4 1814 B11R0.3 COCCCCSCC#CCO 62a_100000730899_200000047223 [0,0,0,0,0,0|2,0,2]=4 1815 B11R0.3 COCCCCSCC#CCO 62a_200000047223_100000730899 [0,0,0,0,0,0|2,0,2]=4 1816 B11R0.3 COCCCCSCCCC#N 62a_100000687738_100000730899 [0,0,0,0,0,0|3,0,1]=4 1817 B11R0.3 COCCCCSCCCC#N 62a_100000730899_100000687738 [0,0,0,0,0,0|3,0,1]=4 1818 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,0,0,0,0,0|2,0,2]=4 1819 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,0,0,0,0,0|2,0,2]=4 1820 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,0,0,0,0,0|3,0,0]=3 1821 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,0,0,0,0,0|3,0,0]=3 1822 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,0,0,0,0,0|2,0,0]=2 1823 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,0,0,0,0,0|2,0,0]=2 1824 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,0,0,0,0,0|4,0,0]=4 1825 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,0,0,0,0,0|4,0,0]=4 1826 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,0,0,0,0,0|3,0,0]=3 1827 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,0,0,0,0,0|2,0,0]=2 1828 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,0,0,0,0,0|2,0,0]=2 1829 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,0,0,0,0,0|2,0,0]=2 1830 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,0,0,0,0,0|3,0,0]=3 1831 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,0,0,0,0,0|3,0,0]=3 1832 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,0,0,0,0,0|3,0,0]=3 1833 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,0,0,0,0,0|3,0,0]=3 1834 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,0,0,0,0,0|3,0,0]=3 1835 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,0,0,0,0,0|3,0,0]=3 1836 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,0,0,0,0,0|3,0,0]=3 1837 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,0,0,0,0,0|3,0,0]=3 1838 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,0,0,0,0,0|3,0,0]=3 1839 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,0,0,0,0,0|3,0,0]=3 1840 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,0,0,0,0,0|3,0,0]=3 1841 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,0,0,0,0,0|3,0,0]=3 1842 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,0,0,0,0,0|2,0,0]=2 1843 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,0,0,0,0,0|4,0,0]=4 1844 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,0,0,0,0,0|4,0,0]=4 1845 B11R0.3 COCCCOCCCOCF 34a_200011215475_100015361967 [0,0,0,0,0,0|4,0,0]=4 1846 B11R0.3 COCCCOCCCOCF 7a_200011215475_100015361967 [0,0,0,0,0,0|4,0,0]=4 1847 B11R0.3 COCCCOCCOCCBr 34a_100000692535_100000740836 [0,0,0,0,0,0|4,0,0]=4 1848 B11R0.3 COCCCOCCOCCBr 7a_100000692535_100000740836 [0,0,0,0,0,0|4,0,0]=4 1849 B11R0.3 COCCCOCCOCCCl 34a_100011215305_100000740836 [0,0,0,0,0,0|4,0,0]=4 1850 B11R0.3 COCCCOCCOCCCl 7a_100011215305_100000740836 [0,0,0,0,0,0|4,0,0]=4 1851 B11R0.3 COCCCOCCOCCF 34a_200015357709_100000740836 [0,0,0,0,0,0|4,0,0]=4 1852 B11R0.3 COCCCOCCOCCF 7a_200015357709_100000740836 [0,0,0,0,0,0|4,0,0]=4 1853 B11R0.3 COCCCOCCOCCI 34a_100012149058_100000740836 [0,0,0,0,0,0|4,0,0]=4 1854 B11R0.3 COCCCOCCOCCI 7a_100012149058_100000740836 [0,0,0,0,0,0|4,0,0]=4 1855 B11R0.3 COCCCOCCOCCN 34a_100000211614_100000740836 [0,0,0,0,0,0|4,0,0]=4 1856 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,0,0,0,0,0|3,0,0]=3 1857 B11R0.3 COCCCSCCCCC#N 62a_100000709357_100000211819 [0,0,0,0,0,0|3,0,1]=4 1858 B11R0.3 COCCCSCCCCC#N 62a_100011219923_100000709357 [0,0,0,0,0,0|3,0,1]=4 1859 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,0,0,0,0,0|2,0,2]=4 1860 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,0,0,0,0,0|2,0,2]=4 1861 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,0,0,0,0,0|3,0,0]=3 1862 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,0,0,0,0,0|3,0,0]=3 1863 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,0,0,0,0,0|2,0,0]=2 1864 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,0,0,0,0,0|2,0,0]=2 1865 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,0,0,0,0,0|3,0,0]=3 1866 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,0,0,0,0,0|3,0,0]=3 1867 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,0,0,0,0,0|3,0,1]=4 1868 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,0,0,0,0,0|2,0,2]=4 1869 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,0,0,0,0,0|3,0,0]=3 1870 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,0,0,0,0,0|2,0,0]=2 1871 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,0,0,0,0,0|2,0,0]=2 1872 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,0,0,0,0,0|2,0,0]=2 1873 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,0,0,0,0,0|3,0,0]=3 1874 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,0,0,0,0,0|3,0,0]=3 1875 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,0,0,0,0,0|3,0,0]=3 1876 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,0,0,0,0,0|3,0,0]=3 1877 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,0,0,0,0,0|3,0,0]=3 1878 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,0,0,0,0,0|3,0,0]=3 1879 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,0,0,0,0,0|3,0,0]=3 1880 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,0,0,0,0,0|3,0,0]=3 1881 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,0,0,0,0,0|2,0,0]=2 1882 B11R0.3 COCCOCCCNCCF 2230a_100000206027_100011217306 [0,0,0,0,0,0|4,0,0]=4 1883 B11R0.3 COCCOCCCNCCF 34a_100000206027_100011217306 [0,0,0,0,0,0|4,0,0]=4 1884 B11R0.3 COCCOCCCNCCF 34a_100000724931_100011216529 [0,0,0,0,0,0|4,0,0]=4 1885 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,0,0,0,0,0|3,0,0]=3 1886 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,0,0,0,0,0|3,0,0]=3 1887 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,0,0,0,0,0|3,0,0]=3 1888 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,0,0,0,0,0|3,0,0]=3 1889 B11R0.3 COCCOCCCOCCBr 34a_100000211926_100011216529 [0,0,0,0,0,0|4,0,0]=4 1890 B11R0.3 COCCOCCCOCCN 34a_100000210304_100011216529 [0,0,0,0,0,0|4,0,0]=4 1891 B11R0.3 COCCOCCCSCCF 62a_100011216529_100011217306 [0,0,0,0,0,0|4,0,0]=4 1892 B11R0.3 COCCOCCCSCCF 62a_100011217306_100011216529 [0,0,0,0,0,0|4,0,0]=4 1893 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,0,0,0,0,0|3,0,0]=3 1894 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,0,0,0,0,0|3,0,0]=3 1895 B11R0.3 COCCOCCNCCCF 2230a_100000745349_100011934791 [0,0,0,0,0,0|4,0,0]=4 1896 B11R0.3 COCCOCCNCCCF 2230a_100015189416_100000695917 [0,0,0,0,0,0|4,0,0]=4 1897 B11R0.3 COCCOCCNCCCF 34a_100000745349_100011934791 [0,0,0,0,0,0|4,0,0]=4 1898 B11R0.3 COCCOCCNCCCF 34a_100015189416_100000695917 [0,0,0,0,0,0|4,0,0]=4 1899 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,0,0,0,0,0|3,0,0]=3 1900 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,0,0,0,0,0|3,0,0]=3 1901 B11R0.3 COCCOCCOCCCBr 34a_100011217188_100000695917 [0,0,0,0,0,0|4,0,0]=4 1902 B11R0.3 COCCOCCOCCCCl 34a_100000230001_100000695917 [0,0,0,0,0,0|4,0,0]=4 1903 B11R0.3 COCCOCCOCCCF 34a_100000759539_100000695917 [0,0,0,0,0,0|4,0,0]=4 1904 B11R0.3 COCCOCCOCCCF 34a_100011215163_100011934791 [0,0,0,0,0,0|4,0,0]=4 1905 B11R0.3 COCCOCCOCCCF 7a_100011215163_100011934791 [0,0,0,0,0,0|4,0,0]=4 1906 B11R0.3 COCCOCCOCCCN 34a_100000182051_100000695917 [0,0,0,0,0,0|4,0,0]=4 1907 B11R0.3 COCCOCCOCCCN 34a_100011996194_200000210301 [0,0,0,0,0,0|4,0,0]=4 1908 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,0,0,0,0,0|3,0,0]=3 1909 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,0,0,0,0,0|3,0,0]=3 1910 B11R0.3 COCCOCCSCCCF 62a_100000695917_100011934791 [0,0,0,0,0,0|4,0,0]=4 1911 B11R0.3 COCCOCCSCCCF 62a_100011934791_100000695917 [0,0,0,0,0,0|4,0,0]=4 1912 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,0,0,0,0,0|3,0,0]=3 1913 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,0,0,0,0,0|3,0,0]=3 1914 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,0,0,0,0,0|3,0,0]=3 1915 B11R0.3 COCCOCSCCCCF 62a_100000231047_100000729493 [0,0,0,0,0,0|4,0,0]=4 1916 B11R0.3 COCCOCSCCCCF 62a_100000729493_100000231047 [0,0,0,0,0,0|4,0,0]=4 1917 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,0,0,0,0,0|3,0,0]=3 1918 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,0,0,0,0,0|3,0,0]=3 1919 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,0,0,0,0,0|3,0,1]=4 1920 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,0,0,0,0,0|3,0,1]=4 1921 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,0,0,0,0,0|2,0,2]=4 1922 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,0,0,0,0,0|2,0,2]=4 1923 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,0,0,0,0,0|3,0,0]=3 1924 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,0,0,0,0,0|3,0,0]=3 1925 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,0,0,0,0,0|2,0,0]=2 1926 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,0,0,0,0,0|2,0,0]=2 1927 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,0,0,0,0,0|2,0,0]=2 1928 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,0,0,0,0,0|3,0,0]=3 1929 B11R0.3 COCSCCCCCCC#N 62a_100000766300_100009813337 [0,0,0,0,0,0|3,0,1]=4 1930 B11R0.3 COCSCCCCCCC#N 62a_100009813337_100000766300 [0,0,0,0,0,0|3,0,1]=4 1931 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,0,0,0,0,0|2,0,0]=2 1932 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,0,0,0,0,0|2,0,0]=2 1933 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,0,0,0,0,0|1,0,0]=1 1934 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,0,0,0,0,0|1,0,0]=1 1935 B11R0.3 CSCCCCOCC#CCO 34a_100011217163_200000047223 [0,0,0,0,0,0|2,0,2]=4 1936 B11R0.3 CSCCCCOCC#CCO 7a_100011217163_200000047223 [0,0,0,0,0,0|2,0,2]=4 1937 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,0,0,0,0,0|3,0,1]=4 1938 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,0,0,0,0,0|2,0,2]=4 1939 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,0,0,0,0,0|3,0,0]=3 1940 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,0,0,0,0,0|3,0,0]=3 1941 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,0,0,0,0,0|2,0,0]=2 1942 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,0,0,0,0,0|2,0,0]=2 1943 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,0,0,0,0,0|3,0,1]=4 1944 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,0,0,0,0,0|2,0,2]=4 1945 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,0,0,0,0,0|3,0,0]=3 1946 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,0,0,0,0,0|2,0,0]=2 1947 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,0,0,0,0,0|3,0,0]=3 1948 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,0,0,0,0,0|3,0,1]=4 1949 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,0,0,0,0,0|2,0,2]=4 1950 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,0,0,0,0,0|3,0,0]=3 1951 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,0,0,0,0,0|3,0,0]=3 1952 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,0,0,0,0,0|2,0,0]=2 1953 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,0,0,0,0,0|2,0,0]=2 1954 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,0,0,0,0,0|3,0,0]=3 1955 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,0,0,0,0,0|3,0,0]=3 1956 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,0,0,0,0,0|3,0,1]=4 1957 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,0,0,0,0,0|2,0,2]=4 1958 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,0,0,0,0,0|3,0,0]=3 1959 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,0,0,0,0,0|2,0,0]=2 1960 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,0,0,0,0,0|2,0,0]=2 1961 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,0,0,0,0,0|2,0,0]=2 1962 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,0,0,0,0,0|3,0,1]=4 1963 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,0,0,0,0,0|2,0,2]=4 1964 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,0,0,0,0,0|3,0,0]=3 1965 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,0,0,0,0,0|3,0,0]=3 1966 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,0,0,0,0,0|3,0,0]=3 1967 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,0,0,0,0,0|3,0,0]=3 1968 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,0,0,0,0,0|3,0,0]=3 1969 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,0,0,0,0,0|3,0,0]=3 1970 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,0,0,0,0,0|3,0,0]=3 1971 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,0,0,0,0,0|3,0,0]=3 1972 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,0,0,0,0,0|3,0,0]=3 1973 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,0,0,0,0,0|2,0,0]=2 1974 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,0,0,0,0,0|2,0,0]=2 1975 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,0,0,0,0,0|3,0,1]=4 1976 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,0,0,0,0,0|3,0,1]=4 1977 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,0,0,0,0,0|2,0,2]=4 1978 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,0,0,0,0,0|2,0,2]=4 1979 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,0,0,0,0,0|3,0,0]=3 1980 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,0,0,0,0,0|3,0,0]=3 1981 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,0,0,0,0,0|2,0,0]=2 1982 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,0,0,0,0,0|2,0,0]=2 1983 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,0,0,0,0,0|2,0,0]=2 1984 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,0,0,0,0,0|2,0,0]=2 1985 B11R0.3 CSCNCCCOCCCO 2230a_100011310245_100011218213 [0,0,0,0,0,0|3,0,0]=3 1986 B11R0.3 CSCNCCCOCCCO 34a_100011310245_100011218213 [0,0,0,0,0,0|3,0,0]=3 1987 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,0,0,0,0,0|3,0,0]=3 1988 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,0,0,0,0,0|3,0,0]=3 1989 B11R0.3 CSCOCCCOCCCN 34a_100011310245_100011218213 [0,0,0,0,0,0|4,0,0]=4 1990 B11R0.3 CSCSCCCCCCC#N 62a_100009813337_100011218213 [0,0,0,0,0,0|3,0,1]=4 1991 B11R0.3 CSCSCCCCCCC#N 62a_100011218213_100009813337 [0,0,0,0,0,0|3,0,1]=4 1992 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,0,0,0,0,0|2,0,0]=2 1993 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,0,0,0,0,0|2,0,0]=2 1994 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,0,0,0,0,0|3,0,0]=3 1995 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,0,0,0,0,0|3,0,0]=3 1996 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,0,0,0,0,0|3,0,0]=3 1997 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,0,0,0,0,0|3,0,0]=3 1998 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,0,0,0,0,0|3,0,0]=3 1999 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,0,0,0,0,0|3,0,0]=3 2000 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,0,0,0,0,0|3,0,0]=3 2001 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,0,0,0,0,0|3,0,0]=3 2002 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,0,0,0,0,0|3,0,0]=3 2003 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,0,0,0,0,0|3,0,0]=3 2004 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,0,0,0,0,0|3,0,0]=3 2005 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,0,0,0,0,0|3,0,0]=3 2006 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,0,0,0,0,0|3,0,0]=3 2007 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,0,0,0,0,0|3,0,0]=3 2008 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,0,0,0,0,0|3,0,0]=3 2009 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,0,0,0,0,0|3,0,0]=3 2010 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,0,0,0,0,0|3,0,0]=3 2011 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,0,0,0,0,0|3,0,0]=3 2012 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,0,0,0,0,0|3,0,0]=3 2013 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,0,0,0,0,0|3,0,0]=3 2014 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,0,0,0,0,0|3,0,0]=3 2015 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,0,0,0,0,0|3,0,0]=3 2016 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,0,0,0,0,0|3,0,0]=3 2017 B11R0.3 FCCCCOCCOCCBr 34a_100000692535_100000729493 [0,0,0,0,0,0|4,0,0]=4 2018 B11R0.3 FCCCCOCCOCCBr 7a_100000692535_100000729493 [0,0,0,0,0,0|4,0,0]=4 2019 B11R0.3 FCCCCOCCOCCCl 34a_100011215305_100000729493 [0,0,0,0,0,0|4,0,0]=4 2020 B11R0.3 FCCCCOCCOCCCl 7a_100011215305_100000729493 [0,0,0,0,0,0|4,0,0]=4 2021 B11R0.3 FCCCCOCCOCCF 34a_200015357709_100000729493 [0,0,0,0,0,0|4,0,0]=4 2022 B11R0.3 FCCCCOCCOCCF 7a_200015357709_100000729493 [0,0,0,0,0,0|4,0,0]=4 2023 B11R0.3 FCCCCOCCOCCI 34a_100012149058_100000729493 [0,0,0,0,0,0|4,0,0]=4 2024 B11R0.3 FCCCCOCCOCCI 7a_100012149058_100000729493 [0,0,0,0,0,0|4,0,0]=4 2025 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,0,0,0,0,0|3,0,0]=3 2026 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,0,0,0,0,0|3,0,0]=3 2027 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,0,0,0,0,0|3,0,0]=3 2028 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,0,0,0,0,0|3,0,0]=3 2029 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,0,0,0,0,0|3,0,0]=3 2030 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,0,0,0,0,0|3,0,0]=3 2031 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,0,0,0,0,0|3,0,0]=3 2032 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,0,0,0,0,0|3,0,0]=3 2033 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,0,0,0,0,0|3,0,0]=3 2034 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,0,0,0,0,0|3,0,0]=3 2035 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,0,0,0,0,0|2,0,1]=3 2036 B11R0.3 N#CCCCCCCSCCF 62a_100009813337_100011217306 [0,0,0,0,0,0|3,0,1]=4 2037 B11R0.3 N#CCCCCCCSCCF 62a_100011217306_100009813337 [0,0,0,0,0,0|3,0,1]=4 2038 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,0,0,0,0,0|2,0,1]=3 2039 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,0,0,0,0,0|2,0,1]=3 2040 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,0,0,0,0,0|3,0,1]=4 2041 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,0,0,0,0,0|3,0,1]=4 2042 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,0,0,0,0,0|3,0,1]=4 2043 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,0,0,0,0,0|2,0,1]=3 2044 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,0,0,0,0,0|2,0,1]=3 2045 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,0,0,0,0,0|2,0,1]=3 2046 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,0,0,0,0,0|3,0,1]=4 2047 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,0,0,0,0,0|3,0,1]=4 2048 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,0,0,0,0,0|3,0,1]=4 2049 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,0,0,0,0,0|3,0,1]=4 2050 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,0,0,0,0,0|2,0,1]=3 2051 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,0,0,0,0,0|2,0,1]=3 2052 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,0,0,0,0,0|2,0,1]=3 2053 B11R0.3 N#CCCCNCCOCCO 2230a_100000211614_100000687738 [0,0,0,0,0,0|3,0,1]=4 2054 B11R0.3 N#CCCCNCCSCCO 2230a_100011219999_100000687738 [0,0,0,0,0,0|3,0,1]=4 2055 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,0,0,0,0,0|3,0,1]=4 2056 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,0,0,0,0,0|3,0,1]=4 2057 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,0,0,0,0,0|3,0,1]=4 2058 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,0,0,0,0,0|3,0,1]=4 2059 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,0,0,0,0,0|3,0,1]=4 2060 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,0,0,0,0,0|2,0,1]=3 2061 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,0,0,0,0,0|2,0,1]=3 2062 B11R0.3 N#CCCCSCCOCCO 62a_100000687738_100011215305 [0,0,0,0,0,0|3,0,1]=4 2063 B11R0.3 N#CCCCSCCOCCO 62a_100011215305_100000687738 [0,0,0,0,0,0|3,0,1]=4 2064 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,0,0,0,0,0|2,0,1]=3 2065 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,0,0,0,0,0|3,0,1]=4 2066 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,0,0,0,0,0|3,0,1]=4 2067 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,0,0,0,0,0|3,0,1]=4 2068 B11R0.3 N#CCCSCCCCCCF 62a_100011215226_100015922095 [0,0,0,0,0,0|3,0,1]=4 2069 B11R0.3 N#CCCSCCCCCCF 62a_100015922095_100011215226 [0,0,0,0,0,0|3,0,1]=4 2070 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,0,0,0,0,0|2,0,1]=3 2071 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,0,0,0,0,0|2,0,1]=3 2072 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,0,0,0,0,0|2,0,1]=3 2073 B11R0.3 N#CCNCCCOCCCO 2230a_100011310245_100011215382 [0,0,0,0,0,0|3,0,1]=4 2074 B11R0.3 N#CCOCCCCCCCBr 7a_100000760002_100011215382 [0,0,0,0,0,0|3,0,1]=4 2075 B11R0.3 N#CCOCCNCCCCO 2230a_100000750430_200000047693 [0,0,0,0,0,0|3,0,1]=4 2076 B11R0.3 N#CCOCCSCCCCO 62a_100000210776_200000047693 [0,0,0,0,0,0|3,0,1]=4 2077 B11R0.3 N#CCOCCSCCCCO 62a_200000047693_100000210776 [0,0,0,0,0,0|3,0,1]=4 2078 B11R0.3 N#CCSCCCCCCCO 62a_100000760002_100011215382 [0,0,0,0,0,0|2,0,1]=3 2079 B11R0.3 N#CCSCCCCCCCO 62a_100011215382_100000760002 [0,0,0,0,0,0|2,0,1]=3 2080 B11R0.3 N#CSCCSCCCCCO 62a_100000034367_100000746330 [0,0,0,0,0,0|3,0,1]=4 2081 B11R0.3 N#CSCCSCCCCCO 62a_100000746330_100000034367 [0,0,0,0,0,0|3,0,1]=4 2082 B11R0.3 N#CSCSCCCCCCO 62a_100000211825_100000766143 [0,0,0,0,0,0|3,0,1]=4 2083 B11R0.3 N#CSCSCCCCCCO 62a_100000766143_100000211825 [0,0,0,0,0,0|3,0,1]=4 2084 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,0,0,0,0,0|3,0,0]=3 2085 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,0,0,0,0,0|2,0,2]=4 2086 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|3,0,0]=3 2087 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,0]=2 2088 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,0,0,0,0,0|3,0,0]=3 2089 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,0]=2 2090 B11R0.3 NCCCCCOCC#CCO 34a_100000762737_200000047223 [0,0,0,0,0,0|2,0,2]=4 2091 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,0,0,0,0,0|3,0,0]=3 2092 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,0]=2 2093 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,0,0,0,0,0|3,0,0]=3 2094 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,0]=2 2095 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,0,0,0,0,0|3,0,0]=3 2096 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,0,0,0,0,0|3,0,0]=3 2097 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,0,0,0,0,0|2,0,0]=2 2098 B11R0.3 NCCCOCCCOCCF 34a_100011310245_100011217306 [0,0,0,0,0,0|4,0,0]=4 2099 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,0,0,0,0,0|3,0,0]=3 2100 B11R0.3 NCCNCCCCCOCF 34a_103619048469_100015361967 [0,0,0,0,0,0|4,0,0]=4 2101 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,0,0,0,0,0|2,0,0]=2 2102 B11R0.3 NCCOCCOCCCCF 34a_100000211614_100000729493 [0,0,0,0,0,0|4,0,0]=4 2103 B11R0.3 NCCOCCOCCCCO 34a_100000211614_100011216708 [0,0,0,0,0,0|3,0,0]=3 2104 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,0,0,0,0,0|4,0,0]=4 2105 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,0,0,0,0,0|3,0,0]=3 2106 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,0,0,0,0,0|2,0,2]=4 2107 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,0,0,0,0,0|2,0,2]=4 2108 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,0,0,0,0,0|2,0,2]=4 2109 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,0,0,0,0,0|2,0,1]=3 2110 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,0,0,0,0,0|2,0,1]=3 2111 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,0,0,0,0,0|2,0,1]=3 2112 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,0,0,0,0,0|2,0,2]=4 2113 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,0,0,0,0,0|2,0,2]=4 2114 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,0,0,0,0,0|2,0,2]=4 2115 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,0,0,0,0,0|2,0,2]=4 2116 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,0,0,0,0,0|2,0,1]=3 2117 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,0,0,0,0,0|2,0,1]=3 2118 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,0,0,0,0,0|2,0,1]=3 2119 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,0,0,0,0,0|3,0,1]=4 2120 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,0,0,0,0,0|3,0,1]=4 2121 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,0,0,0,0,0|2,0,2]=4 2122 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,0,0,0,0,0|2,0,2]=4 2123 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,0,0,0,0,0|2,0,2]=4 2124 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,0,0,0,0,0|2,0,2]=4 2125 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,0,0,0,0,0|2,0,2]=4 2126 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,0,0,0,0,0|2,0,1]=3 2127 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,0,0,0,0,0|2,0,1]=3 2128 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,0,0,0,0,0|3,0,1]=4 2129 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,0,0,0,0,0|3,0,1]=4 2130 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,0,0,0,0,0|2,0,1]=3 2131 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,0,0,0,0,0|2,0,1]=3 2132 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,0,0,0,0,0|3,0,1]=4 2133 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,0,0,0,0,0|3,0,1]=4 2134 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,0,0,0,0,0|2,0,2]=4 2135 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,0,0,0,0,0|2,0,2]=4 2136 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,0,0,0,0,0|2,0,1]=3 2137 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,0,0,0,0,0|2,0,1]=3 2138 B11R0.3 OCC#CCNCCCCCO 2230a_100000762737_200000047223 [0,0,0,0,0,0|2,0,2]=4 2139 B11R0.3 OCC#CCNCCCCCO 34a_100000762737_200000047223 [0,0,0,0,0,0|2,0,2]=4 2140 B11R0.3 OCC#CCOCCCCCBr 34a_100000746331_200000047223 [0,0,0,0,0,0|2,0,2]=4 2141 B11R0.3 OCC#CCOCCCCCBr 7a_100000746331_200000047223 [0,0,0,0,0,0|2,0,2]=4 2142 B11R0.3 OCC#CCOCCCCCCl 34a_100000746330_200000047223 [0,0,0,0,0,0|2,0,2]=4 2143 B11R0.3 OCC#CCOCCCCCCl 7a_100000746330_200000047223 [0,0,0,0,0,0|2,0,2]=4 2144 B11R0.3 OCC#CCOCCCCCI 34a_200012148887_200000047223 [0,0,0,0,0,0|2,0,2]=4 2145 B11R0.3 OCC#CCOCCCCCI 7a_200012148887_200000047223 [0,0,0,0,0,0|2,0,2]=4 2146 B11R0.3 OCC#CCSCCCCCF 62a_100000729378_200000047223 [0,0,0,0,0,0|2,0,2]=4 2147 B11R0.3 OCC#CCSCCCCCF 62a_200000047223_100000729378 [0,0,0,0,0,0|2,0,2]=4 2148 B11R0.3 OCC#CCSCCCCCO 62a_100000746330_200000047223 [0,0,0,0,0,0|2,0,2]=4 2149 B11R0.3 OCC#CCSCCCCCO 62a_200000047223_100000746330 [0,0,0,0,0,0|2,0,2]=4 2150 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,0,0,0,0,0|2,0,0]=2 2151 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,0,0,0,0,0|2,0,0]=2 2152 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,0,0,0,0,0|2,0,0]=2 2153 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,0,0,0,0,0|2,0,0]=2 2154 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,0,0,0,0,0|2,0,0]=2 2155 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|2,0,0]=2 2156 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,0,0,0,0,0|2,0,0]=2 2157 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,0,0,0,0,0|2,0,0]=2 2158 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,0]=2 2159 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,0,0,0,0,0|2,0,0]=2 2160 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,0,0,0,0,0|2,0,0]=2 2161 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,0,0,0,0,0|2,0,0]=2 2162 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,0,0,0,0,0|2,0,0]=2 2163 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,0,0,0,0,0|2,0,0]=2 2164 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,0,0,0,0,0|2,0,0]=2 2165 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,0,0,0,0,0|2,0,0]=2 2166 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,0,0,0,0,0|2,0,0]=2 2167 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,0,0,0,0,0|2,0,0]=2 2168 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,0,0,0,0,0|2,0,0]=2 2169 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,0,0,0,0,0|2,0,0]=2 2170 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,0]=2 2171 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,0,0,0,0,0|2,0,0]=2 2172 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,0,0,0,0,0|2,0,0]=2 2173 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,0,0,0,0,0|2,0,0]=2 2174 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,0,0,0,0,0|2,0,0]=2 2175 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,0,0,0,0,0|2,0,0]=2 2176 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,0,0,0,0,0|2,0,0]=2 2177 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,0,0,0,0,0|2,0,0]=2 2178 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,0,0,0,0,0|2,0,0]=2 2179 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,0,0,0,0,0|2,0,0]=2 2180 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,0,0,0,0,0|2,0,0]=2 2181 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,0,0,0,0,0|2,0,0]=2 2182 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,0]=2 2183 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,0]=2 2184 B11R0.3 OCCCCCOCC#CCCl 34a_200000047223_100000746330 [0,0,0,0,0,0|2,0,2]=4 2185 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,0,0,0,0,0|2,0,0]=2 2186 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,0,0,0,0,0|2,0,0]=2 2187 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,0,0,0,0,0|2,0,0]=2 2188 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,0,0,0,0,0|2,0,0]=2 2189 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,0,0,0,0,0|2,0,0]=2 2190 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,0,0,0,0,0|2,0,0]=2 2191 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,0,0,0,0,0|2,0,0]=2 2192 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,0,0,0,0,0|2,0,0]=2 2193 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,0,0,0,0,0|2,0,0]=2 2194 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,0,0,0,0,0|2,0,0]=2 2195 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,0,0,0,0,0|2,0,0]=2 2196 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,0,0,0,0,0|2,0,0]=2 2197 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,0,0,0,0,0|3,0,0]=3 2198 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,0,0,0,0,0|3,0,0]=3 2199 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,0,0,0,0,0|3,0,0]=3 2200 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,0,0,0,0,0|3,0,0]=3 2201 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,0,0,0,0,0|3,0,0]=3 2202 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,0,0,0,0,0|2,0,0]=2 2203 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,0,0,0,0,0|2,0,0]=2 2204 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,0,0,0,0,0|2,0,0]=2 2205 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,0,0,0,0,0|2,0,0]=2 2206 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,0,0,0,0,0|2,0,0]=2 2207 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,0,0,0,0,0|2,0,0]=2 2208 B11R0.3 OCCCCOCCOCCBr 34a_100000692535_100011216708 [0,0,0,0,0,0|3,0,0]=3 2209 B11R0.3 OCCCCOCCOCCBr 7a_100000692535_100000210776 [0,0,0,0,0,0|3,0,0]=3 2210 B11R0.3 OCCCCOCCOCCCl 34a_100011215305_100011216708 [0,0,0,0,0,0|3,0,0]=3 2211 B11R0.3 OCCCCOCCOCCCl 7a_100011215305_100000210776 [0,0,0,0,0,0|3,0,0]=3 2212 B11R0.3 OCCCCOCCOCCF 34a_200015357709_100011216708 [0,0,0,0,0,0|3,0,0]=3 2213 B11R0.3 OCCCCOCCOCCF 7a_200015357709_100000210776 [0,0,0,0,0,0|3,0,0]=3 2214 B11R0.3 OCCCCOCCOCCI 34a_100012149058_100011216708 [0,0,0,0,0,0|3,0,0]=3 2215 B11R0.3 OCCCCOCCOCCI 7a_100012149058_100000210776 [0,0,0,0,0,0|3,0,0]=3 2216 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,0,0,0,0,0|2,0,0]=2 2217 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,0,0,0,0,0|2,0,0]=2 2218 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,0,0,0,0,0|3,0,0]=3 2219 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,0,0,0,0,0|3,0,0]=3 2220 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,0,0,0,0,0|2,0,0]=2 2221 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,0,0,0,0,0|2,0,0]=2 2222 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,0,0,0,0,0|2,0,0]=2 2223 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,0,0,0,0,0|2,0,0]=2 2224 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,0,0,0,0,0|2,0,0]=2 2225 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,0,0,0,0,0|2,0,0]=2 2226 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,0,0,0,0,0|3,0,0]=3 2227 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,0,0,0,0,0|3,0,0]=3 2228 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,0,0,0,0,0|3,0,0]=3 2229 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,0,0,0,0,0|3,0,0]=3 2230 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,0,0,0,0,0|2,0,0]=2 2231 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,0,0,0,0,0|2,0,0]=2 2232 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,0,0,0,0,0|2,0,0]=2 2233 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,0,0,0,0,0|2,0,0]=2 2234 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,0,0,0,0,0|3,0,0]=3 2235 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,0,0,0,0,0|3,0,0]=3 2236 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,0,0,0,0,0|3,0,0]=3 2237 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,0,0,0,0,0|3,0,0]=3 2238 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,0,0,0,0,0|3,0,0]=3 2239 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,0,0,0,0,0|3,0,0]=3 2240 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,0,0,0,0,0|3,0,0]=3 2241 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,0,0,0,0,0|3,0,0]=3 2242 B11R0.3 OCCOCCOCCNCF 34a_100011998139_100015361967 [0,0,0,0,0,0|4,0,0]=4 2243 B11R0.3 OCCOCCOCCSCF 62a_100000032323_100015361967 [0,0,0,0,0,0|4,0,0]=4 2244 B11R0.3 OCCOCCOCCSCF 62a_100015361967_100000032323 [0,0,0,0,0,0|4,0,0]=4 2245 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,0,0,0,0,0|3,0,0]=3 2246 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,0,0,0,0,0|3,0,0]=3 2247 B11R0.3 OCCSCCNCCCCF 2230a_100011219999_100000729493 [0,0,0,0,0,0|3,0,0]=3 2248 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,0,0,0,0,0|1,0,0]=1 2249 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,0,0,0,0,0|1,0,0]=1 2250 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,0,0,0,0,0|3,0,0]=3 2251 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,0,0,0,0,0|3,0,0]=3 2252 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,0,0,0,0,0|2,0,0]=2 2253 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,0,0,0,0,0|2,0,0]=2 2254 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,0,0,0,0,0|2,0,0]=2 2255 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,0,0,0,0,0|2,0,0]=2 2256 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,0,0,0,0,0|2,0,0]=2 2257 B11R0.3 [13CH3]OCCOCCOCCCN 34a_100011996194_200025704644 [0,0,0,0,0,0|4,0,0]=4 2258 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,0,0,0,0,0|1,0,0]=1 2259 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,0,0,0,0,0|1,0,0]=1 2260 B11R0.3 [N-]=[N+]=NCCCCNCCCO 2230a_100000101370_100000230001 [0,0,0,0,0,0|4,0,0]=4 2261 B11R0.3 [N-]=[N+]=NCCCNCCCCO 2230a_100000744732_100000210776 [0,0,0,0,0,0|4,0,0]=4 2262 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 2263 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,0,0,0,0,0|1,0,2]=4 2264 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 2265 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 2266 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,0,0,0,0,0|1,0,2]=4 2267 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 2268 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 2269 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 2270 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,0,0,0,0,0|1,0,2]=4 2271 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,0,0,0,0,0|1,0,2]=4 2272 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,0,0,0,0,0|1,0,2]=4 2273 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,0,0,0,0,0|1,0,2]=4 2274 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,0,0,0,0,0|1,0,2]=4 2275 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 2276 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,0,0,0,0,0|1,0,2]=4 2277 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 2278 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,0,0,0,0,0|1,0,2]=4 2279 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,0,0,0,0,0|1,0,2]=4 2280 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [1,0,0,0,0,0|1,0,2]=4 2281 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [1,0,0,0,0,0|1,0,2]=4 2282 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,0,0,0,0,0|1,0,2]=4 2283 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 2284 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 2285 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [1,0,0,0,0,0|1,0,2]=4 2286 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [1,0,0,0,0,0|1,0,2]=4 2287 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,0,0,0,0,0|1,0,2]=4 2288 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,0,0,0,0,0|1,0,2]=4 2289 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [1,0,0,0,0,0|1,0,2]=4 2290 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [1,0,0,0,0,0|1,0,2]=4 2291 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,0,0,0,0,0|1,0,2]=4 2292 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,0,0,0,0,0|1,0,2]=4 2293 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,0,0,0,0,0|1,0,2]=4 2294 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,0,0,0,0,0|1,0,2]=4 2295 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [1,0,0,0,0,0|1,0,2]=4 2296 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [1,0,0,0,0,0|1,0,2]=4 2297 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 2298 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,0,0,0,0,0|1,0,2]=4 2299 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 2300 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,0,0,0,0,0|1,0,2]=4 2301 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [1,0,0,0,0,0|1,0,2]=4 2302 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [1,0,0,0,0,0|1,0,2]=4 2303 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,0,0,0,0,0|1,0,2]=4 2304 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,0,0,0,0,0|1,0,2]=4 2305 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [1,0,0,0,0,0|1,0,2]=4 2306 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [1,0,0,0,0,0|1,0,2]=4 2307 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,0,0,0,0,0|1,0,2]=4 2308 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,0,0,0,0,0|1,0,2]=4 2309 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [1,0,0,0,0,0|1,0,2]=4 2310 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [1,0,0,0,0,0|1,0,2]=4 2311 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [1,0,0,0,0,0|1,0,2]=4 2312 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,0,0,0,0,0|1,0,2]=4 2313 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,0,0,0,0,0|1,0,2]=4 2314 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,0,0,0,0,0|1,0,2]=4 2315 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,0,0,0,0,0|1,0,2]=4 2316 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [1,0,0,0,0,0|1,0,2]=4 2317 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [1,0,0,0,0,0|1,0,2]=4 2318 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,0,0,0,0,0|1,0,2]=4 2319 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,0,0,0,0,0|1,0,2]=4 2320 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [1,0,0,0,0,0|1,0,2]=4 2321 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [1,0,0,0,0,0|1,0,2]=4 2322 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,0,0,0,0,0|1,0,2]=4 2323 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,0,0,0,0,0|1,0,2]=4 2324 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [1,0,0,0,0,0|1,0,2]=4 2325 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [1,0,0,0,0,0|1,0,2]=4 2326 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [1,0,0,0,0,0|1,0,2]=4 2327 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 2328 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,0,0,0,0,0|1,0,2]=4 2329 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 2330 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [1,0,0,0,0,0|1,0,2]=4 2331 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,0,0,0,0,0|1,0,2]=4 2332 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,0,0,0,0,0|1,0,2]=4 2333 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [1,0,0,0,0,0|1,0,2]=4 2334 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [1,0,0,0,0,0|1,0,2]=4 2335 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,0,0,0,0,0|1,0,2]=4 2336 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,0,0,0,0,0|1,0,2]=4 2337 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [1,0,0,0,0,0|1,0,2]=4 2338 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [1,0,0,0,0,0|1,0,2]=4 2339 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [1,0,0,0,0,0|1,0,2]=4 2340 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,0,0,0,0,0|1,0,2]=4 2341 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,0,0,0,0,0|1,0,2]=4 2342 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,0,0,0,0,0|1,0,2]=4 2343 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [1,0,0,0,0,0|1,0,2]=4 2344 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,0,0,0,0,0|1,0,2]=4 2345 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [1,0,0,0,0,0|1,0,2]=4 2346 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|1,0,2]=4 2347 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,0,0,0,0,0|1,0,2]=4 2348 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,0,0,0,0,0|1,0,2]=4 2349 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|1,0,2]=4 2350 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|1,0,2]=4 2351 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|1,0,2]=4 2352 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,0,0,0,0,0|1,0,2]=4 2353 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|1,0,2]=4 2354 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|1,0,2]=4 2355 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,0,0,0,0,0|1,0,2]=4 2356 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,0,0,0,0,0|1,0,2]=4 2357 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|1,0,2]=4 2358 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|1,0,2]=4 2359 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|1,0,2]=4 2360 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|1,0,2]=4 2361 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|1,0,2]=4 2362 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|1,0,2]=4 2363 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|1,0,2]=4 2364 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|1,0,2]=4 2365 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|1,0,2]=4 2366 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|1,0,2]=4 2367 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|1,0,2]=4 2368 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|1,0,2]=4 2369 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|1,0,2]=4 2370 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|1,0,2]=4 2371 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|1,0,2]=4 2372 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|1,0,2]=4 2373 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|1,0,2]=4 2374 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|1,0,2]=4 2375 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,0,0,0,0,0|1,0,2]=4 2376 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,0,0,0,0,0|1,0,2]=4 2377 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|1,0,2]=4 2378 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|1,0,2]=4 2379 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|1,0,2]=4 2380 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|1,0,2]=4 2381 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|1,0,2]=4 2382 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|1,0,2]=4 2383 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|1,0,2]=4 2384 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,0,0,0,0,0|1,0,2]=4 2385 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,0,0,0,0,0|1,0,2]=4 2386 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|1,0,2]=4 2387 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|1,0,2]=4 2388 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|1,0,2]=4 2389 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|1,0,2]=4 2390 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,0,0,0,0,0|1,0,2]=4 2391 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,0,0,0,0,0|1,0,2]=4 2392 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|1,0,2]=4 2393 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|1,0,2]=4 2394 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|1,0,2]=4 2395 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|1,0,2]=4 2396 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,0,0,0,0,0|1,0,2]=4 2397 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,0,0,0,0,0|1,0,2]=4 2398 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|1,0,2]=4 2399 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|1,0,2]=4 2400 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,0,0,0,0,0|1,0,2]=4 2401 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,0,0,0,0,0|1,0,2]=4 2402 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|1,0,2]=4 2403 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|1,0,2]=4 2404 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|1,0,2]=4 2405 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,0,0,0,0,0|1,0,2]=4 2406 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,0,0,0,0,0|1,0,2]=4 2407 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,0,0,0,0,0|1,0,2]=4 2408 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,0,0,0,0,0|1,0,2]=4 2409 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|1,0,2]=4 2410 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|1,0,2]=4 2411 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|1,0,2]=4 2412 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|1,0,2]=4 2413 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,0,0,0,0,0|1,0,2]=4 2414 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,0,0,0,0,0|1,0,2]=4 2415 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|1,0,2]=4 2416 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|1,0,2]=4 2417 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,0,0,0,0,0|1,0,2]=4 2418 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,0,0,0,0,0|1,0,2]=4 2419 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|1,0,2]=4 2420 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|1,0,2]=4 2421 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|1,0,2]=4 2422 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|1,0,2]=4 2423 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|1,0,2]=4 2424 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|1,0,2]=4 2425 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|1,0,2]=4 2426 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|1,0,2]=4 2427 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|1,0,2]=4 2428 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|1,0,2]=4 2429 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|1,0,2]=4 2430 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|1,0,2]=4 2431 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|1,0,2]=4 2432 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,2]=4 2433 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,2]=4 2434 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|1,0,2]=4 2435 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|1,0,2]=4 2436 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|1,0,2]=4 2437 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|1,0,2]=4 2438 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|1,0,2]=4 2439 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|1,0,2]=4 2440 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|1,0,2]=4 2441 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|1,0,2]=4 2442 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|1,0,2]=4 2443 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|1,0,2]=4 2444 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|1,0,2]=4 2445 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,0,0,0,0,0|1,0,2]=4 2446 B10R0.71 CC#CCCOCCCCO 34a_100000750427_100011216708 [1,0,0,0,0,0|1,0,2]=4 2447 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,0,0,0,0,0|1,0,2]=4 2448 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,0,0,0,0,0|1,0,2]=4 2449 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,0,0,0,0,0|1,0,2]=4 2450 B10R0.71 CC#CCNCCCCCO 2230a_100000685387_100000746330 [1,0,0,0,0,0|1,0,2]=4 2451 B10R0.71 CC#CCNCCCCCO 2230a_100000762737_100000748600 [1,0,0,0,0,0|1,0,2]=4 2452 B10R0.71 CC#CCNCCCCCO 34a_100000685387_100000746330 [1,0,0,0,0,0|1,0,2]=4 2453 B10R0.71 CC#CCNCCCCCO 34a_100000762737_100000748600 [1,0,0,0,0,0|1,0,2]=4 2454 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|1,0,2]=4 2455 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|1,0,2]=4 2456 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|1,0,2]=4 2457 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [1,0,0,0,0,0|1,0,2]=4 2458 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,0,0,0,0,0|1,0,2]=4 2459 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,0,0,0,0,0|1,0,2]=4 2460 B10R0.71 CC#CCSCCCCCO 62a_100000746330_100000748600 [1,0,0,0,0,0|1,0,2]=4 2461 B10R0.71 CC#CCSCCCCCO 62a_100000748600_100000746330 [1,0,0,0,0,0|1,0,2]=4 2462 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,0,0,0,0|1,0,2]=4 2463 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,0,0,0,0|1,0,2]=4 2464 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,0,0,0,0,0|1,0,2]=4 2465 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,0,0,0,0,0|1,0,2]=4 2466 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|1,0,2]=4 2467 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|1,0,2]=4 2468 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|1,0,2]=4 2469 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|1,0,2]=4 2470 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|1,0,2]=4 2471 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|1,0,2]=4 2472 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|1,0,2]=4 2473 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,0,0,0,0|1,0,2]=4 2474 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,0,0,0,0|1,0,2]=4 2475 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|1,0,2]=4 2476 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|1,0,2]=4 2477 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|1,0,2]=4 2478 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|1,0,2]=4 2479 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,0,0,0,0,0|1,0,2]=4 2480 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,0,0,0,0,0|1,0,2]=4 2481 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,0,0,0,0|1,0,2]=4 2482 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,0,0,0,0|1,0,2]=4 2483 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,0,0,0,0,0|1,0,2]=4 2484 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,0,0,0,0,0|1,0,2]=4 2485 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|1,0,2]=4 2486 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [1,0,0,0,0,0|1,0,2]=4 2487 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [1,0,0,0,0,0|1,0,2]=4 2488 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|1,0,2]=4 2489 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|1,0,2]=4 2490 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|1,0,2]=4 2491 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,0,0,0,0,0|1,0,2]=4 2492 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|1,0,2]=4 2493 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|1,0,2]=4 2494 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [1,0,0,0,0,0|1,0,2]=4 2495 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [1,0,0,0,0,0|1,0,2]=4 2496 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|1,0,2]=4 2497 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,0,0,0,0,0|1,0,2]=4 2498 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|1,0,2]=4 2499 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,0,0,0,0,0|1,0,2]=4 2500 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,0,0,0,0,0|1,0,2]=4 2501 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|1,0,2]=4 2502 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|1,0,2]=4 2503 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|1,0,2]=4 2504 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|1,0,2]=4 2505 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,0,0,0,0,0|1,0,2]=4 2506 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,0,0,0,0,0|1,0,2]=4 2507 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,0,0,0,0,0|1,0,2]=4 2508 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,0,0,0,0,0|1,0,2]=4 2509 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [1,0,0,0,0,0|1,0,2]=4 2510 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [1,0,0,0,0,0|1,0,2]=4 2511 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [1,0,0,0,0,0|1,0,2]=4 2512 B10R0.71 CCC#CCNCCCCO 2230a_100000750430_100009813939 [1,0,0,0,0,0|1,0,2]=4 2513 B10R0.71 CCC#CCNCCCCO 34a_100000750430_100009813939 [1,0,0,0,0,0|1,0,2]=4 2514 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [1,0,0,0,0,0|1,0,2]=4 2515 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [1,0,0,0,0,0|1,0,2]=4 2516 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [1,0,0,0,0,0|1,0,2]=4 2517 B10R0.71 CCC#CCOCCCCO 34a_100000032950_100011216708 [1,0,0,0,0,0|1,0,2]=4 2518 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [1,0,0,0,0,0|1,0,2]=4 2519 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [1,0,0,0,0,0|1,0,2]=4 2520 B10R0.71 CCC#CCSCCCCO 62a_100000210776_100009813939 [1,0,0,0,0,0|1,0,2]=4 2521 B10R0.71 CCC#CCSCCCCO 62a_100009813939_100000210776 [1,0,0,0,0,0|1,0,2]=4 2522 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,0,0,0,0|1,0,2]=4 2523 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,0,0,0,0|1,0,2]=4 2524 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [1,0,0,0,0,0|1,0,2]=4 2525 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [1,0,0,0,0,0|1,0,2]=4 2526 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [1,0,0,0,0,0|1,0,2]=4 2527 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [1,0,0,0,0,0|1,0,2]=4 2528 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [1,0,0,0,0,0|1,0,2]=4 2529 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [1,0,0,0,0,0|1,0,2]=4 2530 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [1,0,0,0,0,0|1,0,2]=4 2531 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [1,0,0,0,0,0|1,0,2]=4 2532 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [1,0,0,0,0,0|1,0,2]=4 2533 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [1,0,0,0,0,0|1,0,2]=4 2534 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,0,0,0,0,0|1,0,2]=4 2535 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,0,0,0,0,0|1,0,2]=4 2536 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [1,0,0,0,0,0|1,0,2]=4 2537 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [1,0,0,0,0,0|1,0,2]=4 2538 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,0,0,0,0,0|1,0,2]=4 2539 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,0,0,0,0,0|1,0,2]=4 2540 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,0,0,0,0,0|2,0,1]=4 2541 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [1,0,0,0,0,0|1,0,2]=4 2542 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [1,0,0,0,0,0|1,0,2]=4 2543 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [1,0,0,0,0,0|1,0,2]=4 2544 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [1,0,0,0,0,0|1,0,2]=4 2545 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [1,0,0,0,0,0|1,0,2]=4 2546 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [1,0,0,0,0,0|1,0,2]=4 2547 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [1,0,0,0,0,0|1,0,2]=4 2548 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [1,0,0,0,0,0|1,0,2]=4 2549 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,0,0,0,0,0|1,0,2]=4 2550 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,0,0,0,0,0|1,0,2]=4 2551 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [1,0,0,0,0,0|1,0,2]=4 2552 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [1,0,0,0,0,0|1,0,2]=4 2553 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [1,0,0,0,0,0|1,0,2]=4 2554 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [1,0,0,0,0,0|1,0,2]=4 2555 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,0,0,0,0,0|1,0,2]=4 2556 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,0,0,0,0,0|1,0,2]=4 2557 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|1,0,2]=4 2558 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|1,0,2]=4 2559 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|1,0,2]=4 2560 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|1,0,2]=4 2561 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [1,0,0,0,0,0|2,0,1]=4 2562 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,0,0,0,0,0|1,0,2]=4 2563 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,0,0,0,0,0|1,0,2]=4 2564 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,0,0,0,0,0|1,0,2]=4 2565 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,0,0,0,0,0|1,0,2]=4 2566 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [1,0,0,0,0,0|1,0,2]=4 2567 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,0,0,0,0,0|1,0,2]=4 2568 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,0,0,0,0,0|1,0,2]=4 2569 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,0,0,0,0,0|1,0,2]=4 2570 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [1,0,0,0,0,0|1,0,2]=4 2571 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [1,0,0,0,0,0|1,0,2]=4 2572 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|1,0,2]=4 2573 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|1,0,2]=4 2574 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|1,0,2]=4 2575 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|1,0,2]=4 2576 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [1,0,0,0,0,0|2,0,1]=4 2577 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [1,0,0,0,0,0|2,0,1]=4 2578 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,0,0,0,0,0|1,0,2]=4 2579 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,0,0,0,0,0|1,0,2]=4 2580 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,0,0,0,0,0|1,0,2]=4 2581 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,0,0,0,0,0|1,0,2]=4 2582 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,0,0,0,0,0|2,0,1]=4 2583 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|1,0,0]=2 2584 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|1,0,0]=2 2585 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|1,0,0]=2 2586 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|1,0,0]=2 2587 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|1,0,0]=2 2588 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|1,0,0]=2 2589 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|1,0,0]=2 2590 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|1,0,0]=2 2591 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|1,0,0]=2 2592 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|1,0,0]=2 2593 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|1,0,0]=2 2594 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|1,0,0]=2 2595 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|1,0,0]=2 2596 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|1,0,0]=2 2597 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|1,0,0]=2 2598 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|1,0,0]=2 2599 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|1,0,0]=2 2600 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,0]=3 2601 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|1,0,0]=2 2602 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|1,0,0]=2 2603 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|1,0,0]=2 2604 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|2,0,0]=3 2605 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|2,0,0]=3 2606 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|1,0,0]=2 2607 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|1,0,0]=2 2608 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|2,0,0]=3 2609 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|2,0,0]=3 2610 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,0,0,0,0,0|2,0,1]=4 2611 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,2]=4 2612 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|1,0,0]=2 2613 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,0,0,0,0,0|2,0,0]=3 2614 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,0,0,0,0,0|2,0,0]=3 2615 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|1,0,0]=2 2616 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|1,0,0]=2 2617 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|1,0,0]=2 2618 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|2,0,0]=3 2619 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|2,0,0]=3 2620 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,0,0,0,0,0|2,0,1]=4 2621 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,2]=4 2622 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,2]=4 2623 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|2,0,0]=3 2624 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|1,0,0]=2 2625 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|1,0,0]=2 2626 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|1,0,0]=2 2627 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|2,0,0]=3 2628 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|2,0,0]=3 2629 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|2,0,0]=3 2630 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,0]=2 2631 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,0]=2 2632 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|2,0,0]=3 2633 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,0,0,0,0,0|2,0,1]=4 2634 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,0,0,0,0,0|2,0,1]=4 2635 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,2]=4 2636 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,2]=4 2637 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|1,0,0]=2 2638 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|1,0,0]=2 2639 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,0,0,0,0,0|2,0,0]=3 2640 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,0,0,0,0,0|2,0,0]=3 2641 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|1,0,0]=2 2642 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|1,0,0]=2 2643 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|2,0,0]=3 2644 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|2,0,0]=3 2645 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|2,0,0]=3 2646 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|2,0,0]=3 2647 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,0,0,0,0,0|2,0,1]=4 2648 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|1,0,0]=2 2649 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|1,0,0]=2 2650 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|1,0,0]=2 2651 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,0,0,0,0,0|2,0,0]=3 2652 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,0,0,0,0,0|2,0,0]=3 2653 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,0,0,0,0,0|2,0,0]=3 2654 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|1,0,0]=2 2655 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|2,0,0]=3 2656 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|2,0,0]=3 2657 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|2,0,0]=3 2658 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|2,0,0]=3 2659 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,0,0,0,0,0|2,0,1]=4 2660 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|2,0,0]=3 2661 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|1,0,0]=2 2662 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|1,0,0]=2 2663 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|1,0,0]=2 2664 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|1,0,0]=2 2665 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|2,0,0]=3 2666 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|2,0,0]=3 2667 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|2,0,0]=3 2668 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|2,0,0]=3 2669 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|2,0,0]=3 2670 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,0]=2 2671 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,0]=2 2672 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|2,0,0]=3 2673 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|2,0,0]=3 2674 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|2,0,0]=3 2675 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|2,0,0]=3 2676 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|2,0,0]=3 2677 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|3,0,0]=4 2678 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|2,0,0]=3 2679 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|2,0,0]=3 2680 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|2,0,0]=3 2681 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|2,0,0]=3 2682 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|2,0,0]=3 2683 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|2,0,0]=3 2684 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,0,0,0,0,0|2,0,1]=4 2685 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,0,0,0,0,0|2,0,1]=4 2686 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|1,0,0]=2 2687 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|1,0,0]=2 2688 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,0,0,0,0,0|2,0,0]=3 2689 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,0,0,0,0,0|2,0,0]=3 2690 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,0,0]=2 2691 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,0,0]=2 2692 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|2,0,0]=3 2693 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|2,0,0]=3 2694 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|2,0,0]=3 2695 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|2,0,0]=3 2696 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|2,0,0]=3 2697 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|2,0,0]=3 2698 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [1,0,0,0,0,0|1,0,2]=4 2699 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,0,0,0,0,0|2,0,1]=4 2700 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,2]=4 2701 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|1,0,0]=2 2702 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,0,0,0,0,0|2,0,0]=3 2703 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|1,0,0]=2 2704 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|1,0,0]=2 2705 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|1,0,0]=2 2706 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|2,0,0]=3 2707 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|2,0,0]=3 2708 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|2,0,0]=3 2709 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|2,0,0]=3 2710 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|2,0,0]=3 2711 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|2,0,0]=3 2712 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|2,0,0]=3 2713 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,0,0,0,0,0|3,0,0]=4 2714 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|2,0,0]=3 2715 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|2,0,0]=3 2716 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [1,0,0,0,0,0|1,0,2]=4 2717 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [1,0,0,0,0,0|1,0,2]=4 2718 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,0,0,0,0,0|2,0,1]=4 2719 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,2]=4 2720 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,0,0,0,0,0|2,0,0]=3 2721 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|1,0,0]=2 2722 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|1,0,0]=2 2723 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,0,0,0,0,0|2,0,0]=3 2724 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,0,0,0,0,0|2,0,0]=3 2725 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,0,0,0,0,0|2,0,0]=3 2726 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,0,0,0,0,0|2,0,0]=3 2727 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,0,0,0,0,0|2,0,0]=3 2728 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,0,0,0,0,0|2,0,0]=3 2729 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,0,0,0,0,0|2,0,0]=3 2730 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,0,0,0,0,0|2,0,0]=3 2731 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|1,0,0]=2 2732 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|1,0,0]=2 2733 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|2,0,0]=3 2734 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|2,0,0]=3 2735 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|2,0,0]=3 2736 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|2,0,0]=3 2737 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|2,0,0]=3 2738 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|2,0,0]=3 2739 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|2,0,0]=3 2740 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|2,0,0]=3 2741 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|2,0,0]=3 2742 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|2,0,0]=3 2743 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|2,0,0]=3 2744 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|2,0,0]=3 2745 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,0,0,0,0,0|3,0,0]=4 2746 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,0,0,0,0,0|3,0,0]=4 2747 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|2,0,0]=3 2748 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|2,0,0]=3 2749 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|2,0,0]=3 2750 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|2,0,0]=3 2751 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [1,0,0,0,0,0|1,0,2]=4 2752 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [1,0,0,0,0,0|1,0,2]=4 2753 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,0,0,0,0,0|2,0,1]=4 2754 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,0,0,0,0,0|2,0,1]=4 2755 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,2]=4 2756 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,2]=4 2757 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|1,0,0]=2 2758 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,0,0,0,0,0|2,0,0]=3 2759 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,0,0,0,0,0|2,0,0]=3 2760 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|1,0,0]=2 2761 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|1,0,0]=2 2762 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|2,0,0]=3 2763 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|2,0,0]=3 2764 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|2,0,0]=3 2765 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|2,0,0]=3 2766 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|2,0,0]=3 2767 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|2,0,0]=3 2768 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,0,0,0,0,0|2,0,1]=4 2769 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,0,0,0,0,0|2,0,1]=4 2770 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,2]=4 2771 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,2]=4 2772 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,0,0,0,0,0|2,0,0]=3 2773 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,0,0,0,0,0|2,0,0]=3 2774 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|1,0,0]=2 2775 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|1,0,0]=2 2776 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|1,0,0]=2 2777 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|1,0,0]=2 2778 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|2,0,0]=3 2779 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|2,0,0]=3 2780 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|2,0,0]=3 2781 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|2,0,0]=3 2782 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|2,0,0]=3 2783 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|2,0,0]=3 2784 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|2,0,0]=3 2785 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|2,0,0]=3 2786 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,0,0,0,0,0|2,0,0]=3 2787 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,0,0,0,0,0|2,0,0]=3 2788 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,0,0,0,0,0|2,0,0]=3 2789 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,0,0,0,0,0|2,0,0]=3 2790 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,0,0,0,0,0|2,0,0]=3 2791 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,0,0,0,0,0|2,0,0]=3 2792 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,0]=3 2793 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,0,0,0,0,0|2,0,0]=3 2794 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,0,0,0,0,0|2,0,0]=3 2795 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,0,0,0,0,0|2,0,0]=3 2796 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,0,0,0,0,0|2,0,0]=3 2797 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,0,0,0,0,0|3,0,0]=4 2798 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,0,0,0,0,0|2,0,1]=4 2799 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,2]=4 2800 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|2,0,0]=3 2801 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|2,0,0]=3 2802 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|2,0,0]=3 2803 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|2,0,0]=3 2804 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|2,0,0]=3 2805 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|2,0,0]=3 2806 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|2,0,0]=3 2807 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|2,0,0]=3 2808 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|2,0,0]=3 2809 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|1,0,0]=2 2810 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|1,0,0]=2 2811 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|2,0,0]=3 2812 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|2,0,0]=3 2813 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|2,0,0]=3 2814 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|2,0,0]=3 2815 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|2,0,0]=3 2816 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|2,0,0]=3 2817 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|2,0,0]=3 2818 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|2,0,0]=3 2819 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|2,0,0]=3 2820 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|2,0,0]=3 2821 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|2,0,0]=3 2822 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [1,0,0,0,0,0|3,0,0]=4 2823 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|2,0,0]=3 2824 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|2,0,0]=3 2825 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|2,0,0]=3 2826 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|2,0,0]=3 2827 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|2,0,0]=3 2828 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|2,0,0]=3 2829 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,0,0,0,0,0|3,0,0]=4 2830 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,0,0,0,0,0|3,0,0]=4 2831 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|2,0,0]=3 2832 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|2,0,0]=3 2833 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [1,0,0,0,0,0|3,0,0]=4 2834 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,0,0,0,0,0|2,0,0]=3 2835 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,0,0,0,0,0|2,0,0]=3 2836 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,0,0,0,0,0|3,0,0]=4 2837 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,0,0,0,0,0|3,0,0]=4 2838 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,0,0,0,0,0|3,0,0]=4 2839 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,0,0,0,0|2,0,0]=3 2840 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,0,0,0,0|2,0,0]=3 2841 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,0,0,0,0|2,0,0]=3 2842 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,0,0,0,0|2,0,0]=3 2843 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,0,0,0,0|2,0,0]=3 2844 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,0,0,0,0|2,0,0]=3 2845 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,0,0,0,0|2,0,0]=3 2846 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,0,0,0,0,0|3,0,0]=4 2847 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,0,0,0,0,0|3,0,0]=4 2848 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,0,0,0,0,0|3,0,0]=4 2849 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,0,0,0,0,0|3,0,0]=4 2850 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,0,0,0,0,0|3,0,0]=4 2851 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,0,0,0,0,0|3,0,0]=4 2852 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,0,0,0,0,0|3,0,0]=4 2853 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,0,0,0,0,0|3,0,0]=4 2854 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,0,0,0,0,0|3,0,0]=4 2855 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,0,0,0,0,0|3,0,0]=4 2856 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,0,0,0,0,0|2,0,0]=3 2857 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,0,0,0,0,0|2,0,0]=3 2858 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,0,0,0,0,0|2,0,0]=3 2859 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,0,0,0,0,0|2,0,0]=3 2860 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,0,0,0,0,0|3,0,0]=4 2861 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,0,0,0,0|2,0,0]=3 2862 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,0,0,0,0|2,0,0]=3 2863 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,0,0,0,0|2,0,0]=3 2864 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,0,0,0,0|2,0,0]=3 2865 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [1,0,0,0,0,0|3,0,0]=4 2866 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [1,0,0,0,0,0|3,0,0]=4 2867 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,0,0,0,0,0|2,0,0]=3 2868 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,0,0,0,0,0|2,0,0]=3 2869 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,0,0,0,0,0|3,0,0]=4 2870 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,0,0,0,0,0|3,0,0]=4 2871 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [1,0,0,0,0,0|3,0,0]=4 2872 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [1,0,0,0,0,0|3,0,0]=4 2873 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [1,0,0,0,0,0|3,0,0]=4 2874 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [1,0,0,0,0,0|3,0,0]=4 2875 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,0,0,0,0,0|3,0,0]=4 2876 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [1,0,0,0,0,0|3,0,0]=4 2877 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [1,0,0,0,0,0|3,0,0]=4 2878 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,0,0,0,0,0|2,0,0]=3 2879 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [1,0,0,0,0,0|3,0,0]=4 2880 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [1,0,0,0,0,0|3,0,0]=4 2881 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,0,0,0,0,0|3,0,0]=4 2882 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,0,0,0,0,0|3,0,0]=4 2883 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [1,0,0,0,0,0|3,0,0]=4 2884 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,0,0,0,0,0|2,0,0]=3 2885 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,0,0,0,0,0|2,0,0]=3 2886 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [1,0,0,0,0,0|3,0,0]=4 2887 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [1,0,0,0,0,0|3,0,0]=4 2888 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,0,0,0,0,0|2,0,0]=3 2889 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,0,0,0,0,0|2,0,0]=3 2890 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,0,0,0,0,0|3,0,0]=4 2891 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,0,0,0,0,0|3,0,0]=4 2892 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [1,0,0,0,0,0|3,0,0]=4 2893 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [1,0,0,0,0,0|3,0,0]=4 2894 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,0,0,0,0,0|3,0,0]=4 2895 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,0,0,0,0,0|3,0,0]=4 2896 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,0,0,0,0,0|2,0,1]=4 2897 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,0,0,0,0,0|2,0,1]=4 2898 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,2]=4 2899 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,2]=4 2900 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,0,0,0,0,0|2,0,0]=3 2901 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,0,0,0,0,0|2,0,0]=3 2902 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|1,0,0]=2 2903 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|1,0,0]=2 2904 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|2,0,0]=3 2905 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|2,0,0]=3 2906 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|2,0,0]=3 2907 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|2,0,0]=3 2908 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,0,0,0,0,0|2,0,0]=3 2909 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [1,0,0,0,0,0|3,0,0]=4 2910 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,0,0,0,0,0|2,0,0]=3 2911 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [1,0,0,0,0,0|3,0,0]=4 2912 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [1,0,0,0,0,0|3,0,0]=4 2913 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,0,0,0,0,0|2,0,0]=3 2914 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,0,0,0,0,0|2,0,0]=3 2915 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,0,0,0,0,0|2,0,0]=3 2916 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,0,0,0,0,0|2,0,0]=3 2917 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,0,0,0,0,0|3,0,0]=4 2918 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,0,0,0,0,0|3,0,0]=4 2919 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,0,0,0,0,0|2,0,0]=3 2920 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,0,0,0,0,0|2,0,0]=3 2921 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,0,0,0,0,0|2,0,0]=3 2922 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,0,0,0,0,0|2,0,0]=3 2923 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,0,0,0,0,0|3,0,0]=4 2924 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,0,0,0,0,0|3,0,0]=4 2925 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,0,0,0,0,0|3,0,0]=4 2926 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,0,0,0,0|1,0,0]=2 2927 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,0,0,0,0|1,0,0]=2 2928 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|2,0,0]=3 2929 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|2,0,0]=3 2930 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,0,0,0,0,0|2,0,0]=3 2931 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,0,0,0,0,0|2,0,0]=3 2932 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,0,0,0,0,0|3,0,0]=4 2933 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,0,0,0,0,0|3,0,0]=4 2934 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [1,0,0,0,0,0|2,0,1]=4 2935 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|2,0,0]=3 2936 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|2,0,0]=3 2937 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|2,0,0]=3 2938 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|2,0,0]=3 2939 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|2,0,0]=3 2940 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|2,0,0]=3 2941 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|2,0,0]=3 2942 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|2,0,0]=3 2943 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|1,0,0]=2 2944 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|2,0,0]=3 2945 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [1,0,0,0,0,0|3,0,0]=4 2946 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [1,0,0,0,0,0|3,0,0]=4 2947 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,0,0,0,0,0|2,0,0]=3 2948 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,0,0,0,0,0|2,0,0]=3 2949 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,0,0,0,0,0|3,0,0]=4 2950 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [1,0,0,0,0,0|3,0,0]=4 2951 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [1,0,0,0,0,0|3,0,0]=4 2952 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [1,0,0,0,0,0|3,0,0]=4 2953 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [1,0,0,0,0,0|3,0,0]=4 2954 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [1,0,0,0,0,0|3,0,0]=4 2955 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [1,0,0,0,0,0|3,0,0]=4 2956 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,0,0,0,0,0|2,0,0]=3 2957 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,0,0,0,0,0|2,0,0]=3 2958 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [1,0,0,0,0,0|3,0,0]=4 2959 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [1,0,0,0,0,0|3,0,0]=4 2960 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [1,0,0,0,0,0|3,0,0]=4 2961 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [1,0,0,0,0,0|3,0,0]=4 2962 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [1,0,0,0,0,0|3,0,0]=4 2963 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [1,0,0,0,0,0|3,0,0]=4 2964 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [1,0,0,0,0,0|3,0,0]=4 2965 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [1,0,0,0,0,0|3,0,0]=4 2966 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [1,0,0,0,0,0|3,0,0]=4 2967 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [1,0,0,0,0,0|3,0,0]=4 2968 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [1,0,0,0,0,0|3,0,0]=4 2969 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,0,0,0,0,0|3,0,0]=4 2970 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,0,0,0,0,0|2,0,0]=3 2971 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,0,0,0,0,0|2,0,0]=3 2972 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [1,0,0,0,0,0|3,0,0]=4 2973 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [1,0,0,0,0,0|3,0,0]=4 2974 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [1,0,0,0,0,0|3,0,0]=4 2975 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [1,0,0,0,0,0|3,0,0]=4 2976 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [1,0,0,0,0,0|3,0,0]=4 2977 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,0,0,0,0,0|3,0,0]=4 2978 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,0,0,0,0,0|3,0,0]=4 2979 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,0,0,0,0,0|3,0,0]=4 2980 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,0,0,0,0,0|3,0,0]=4 2981 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,0,0,0,0,0|3,0,0]=4 2982 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,0,0,0,0,0|3,0,0]=4 2983 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [1,0,0,0,0,0|3,0,0]=4 2984 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [1,0,0,0,0,0|3,0,0]=4 2985 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [1,0,0,0,0,0|3,0,0]=4 2986 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [1,0,0,0,0,0|3,0,0]=4 2987 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [1,0,0,0,0,0|3,0,0]=4 2988 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [1,0,0,0,0,0|3,0,0]=4 2989 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,0,0,0,0,0|2,0,0]=3 2990 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,0,0,0,0,0|2,0,0]=3 2991 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [1,0,0,0,0,0|3,0,0]=4 2992 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [1,0,0,0,0,0|3,0,0]=4 2993 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [1,0,0,0,0,0|3,0,0]=4 2994 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [1,0,0,0,0,0|3,0,0]=4 2995 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,0,0,0,0,0|3,0,0]=4 2996 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,0,0,0,0,0|3,0,0]=4 2997 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,0,0,0,0,0|2,0,1]=4 2998 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,0,0,0,0,0|2,0,1]=4 2999 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,2]=4 3000 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,2]=4 3001 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,0,0,0,0,0|2,0,0]=3 3002 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,0,0,0,0,0|2,0,0]=3 3003 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,0,0,0,0|1,0,0]=2 3004 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,0,0,0,0|1,0,0]=2 3005 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [1,0,0,0,0,0|3,0,0]=4 3006 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [1,0,0,0,0,0|2,0,0]=3 3007 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [1,0,0,0,0,0|3,0,0]=4 3008 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [1,0,0,0,0,0|3,0,0]=4 3009 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [1,0,0,0,0,0|3,0,0]=4 3010 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [1,0,0,0,0,0|3,0,0]=4 3011 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,0,0,0,0,0|2,0,0]=3 3012 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,0,0,0,0,0|2,0,0]=3 3013 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,0,0,0,0,0|3,0,0]=4 3014 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,0,0,0,0,0|3,0,0]=4 3015 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,0,0,0,0,0|3,0,0]=4 3016 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,0,0,0,0,0|3,0,0]=4 3017 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [1,0,0,0,0,0|3,0,0]=4 3018 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [1,0,0,0,0,0|3,0,0]=4 3019 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,0,0,0,0,0|2,0,1]=4 3020 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|1,0,0]=2 3021 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|1,0,0]=2 3022 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,0]=2 3023 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|2,0,0]=3 3024 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,0,0,0,0,0|2,0,0]=3 3025 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,0]=3 3026 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,0,0,0,0,0|3,0,0]=4 3027 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,0,0,0,0,0|3,0,0]=4 3028 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,0,0,0,0,0|3,0,0]=4 3029 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,0,0,0,0,0|3,0,0]=4 3030 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,0,0,0,0,0|3,0,0]=4 3031 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,0,0,0,0,0|3,0,0]=4 3032 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|2,0,0]=3 3033 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|2,0,0]=3 3034 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,0]=3 3035 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,0]=2 3036 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|2,0,0]=3 3037 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|2,0,0]=3 3038 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|2,0,0]=3 3039 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,0,0,0,0,0|3,0,0]=4 3040 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,0,0,0,0,0|3,0,0]=4 3041 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,0,0,0,0,0|3,0,0]=4 3042 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,0,0,0,0,0|3,0,0]=4 3043 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,0,0,0,0,0|2,0,0]=3 3044 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,0,0,0,0,0|2,0,0]=3 3045 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,0,0,0,0,0|3,0,0]=4 3046 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,0,0,0,0,0|3,0,0]=4 3047 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,0,0,0,0,0|3,0,0]=4 3048 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,0,0,0,0,0|3,0,0]=4 3049 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,0,0,0,0,0|3,0,0]=4 3050 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,0,0,0,0,0|3,0,0]=4 3051 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,0,0,0,0,0|3,0,0]=4 3052 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,0,0,0,0,0|3,0,0]=4 3053 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,0,0,0,0,0|3,0,0]=4 3054 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,0,0,0,0,0|3,0,0]=4 3055 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,0,0,0,0,0|3,0,0]=4 3056 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,0,0,0,0,0|3,0,0]=4 3057 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,0,0,0,0,0|3,0,0]=4 3058 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,0]=3 3059 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,0]=3 3060 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,0,0,0,0,0|3,0,0]=4 3061 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,0,0,0,0,0|3,0,0]=4 3062 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,0,0,0,0,0|3,0,0]=4 3063 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,0,0,0,0,0|3,0,0]=4 3064 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,0,0,0,0,0|3,0,0]=4 3065 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,0,0,0,0,0|3,0,0]=4 3066 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,0,0,0,0,0|3,0,0]=4 3067 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,0,0,0,0,0|3,0,0]=4 3068 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,0,0,0,0,0|3,0,0]=4 3069 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,0,0,0,0,0|3,0,0]=4 3070 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,0,0,0,0,0|2,0,0]=3 3071 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,0,0,0,0,0|2,0,0]=3 3072 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,0,0,0,0,0|3,0,0]=4 3073 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,0,0,0,0,0|3,0,0]=4 3074 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,0,0,0,0,0|3,0,0]=4 3075 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,0,0,0,0,0|3,0,0]=4 3076 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [1,0,0,0,0,0|3,0,0]=4 3077 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [1,0,0,0,0,0|3,0,0]=4 3078 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,0,0,0,0,0|3,0,0]=4 3079 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,0,0,0,0,0|3,0,0]=4 3080 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,0,0,0,0,0|2,0,0]=3 3081 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,0,0,0,0,0|2,0,0]=3 3082 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,0]=3 3083 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,0,0,0,0,0|2,0,0]=3 3084 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,0,0,0,0,0|3,0,0]=4 3085 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,0,0,0,0,0|3,0,0]=4 3086 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,0,0,0,0,0|3,0,0]=4 3087 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,0,0,0,0,0|3,0,0]=4 3088 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [1,0,0,0,0,0|3,0,0]=4 3089 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [1,0,0,0,0,0|3,0,0]=4 3090 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [1,0,0,0,0,0|3,0,0]=4 3091 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [1,0,0,0,0,0|3,0,0]=4 3092 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [1,0,0,0,0,0|3,0,0]=4 3093 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,0,0,0,0,0|3,0,0]=4 3094 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,0,0,0,0,0|3,0,0]=4 3095 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,0,0,0,0,0|3,0,0]=4 3096 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,0,0,0,0,0|3,0,0]=4 3097 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,0,0,0,0,0|3,0,0]=4 3098 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,0,0,0,0,0|3,0,0]=4 3099 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,0,0,0,0,0|3,0,0]=4 3100 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,0,0,0,0,0|3,0,0]=4 3101 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,0,0,0,0,0|3,0,0]=4 3102 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,0,0,0,0,0|2,0,0]=3 3103 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,0,0,0,0,0|2,0,0]=3 3104 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,0,0,0,0,0|3,0,0]=4 3105 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,0,0,0,0,0|3,0,0]=4 3106 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,0,0,0,0,0|3,0,0]=4 3107 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,0,0,0,0,0|3,0,0]=4 3108 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,0,0,0,0,0|3,0,0]=4 3109 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,0,0,0,0,0|3,0,0]=4 3110 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,0,0,0,0,0|3,0,0]=4 3111 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,0,0,0,0,0|3,0,0]=4 3112 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,0,0,0,0,0|3,0,0]=4 3113 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,0,0,0,0,0|3,0,0]=4 3114 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,0,0,0,0,0|3,0,0]=4 3115 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,0,0,0,0,0|3,0,0]=4 3116 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,0,0,0,0,0|3,0,0]=4 3117 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,0,0,0,0,0|3,0,0]=4 3118 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,0,0,0,0,0|3,0,0]=4 3119 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,0,0,0,0,0|3,0,0]=4 3120 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,0,0,0,0,0|3,0,0]=4 3121 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,0,0,0,0,0|3,0,0]=4 3122 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,0,0,0,0,0|3,0,0]=4 3123 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,0,0,0,0,0|2,0,0]=3 3124 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,0,0,0,0,0|2,0,0]=3 3125 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,0,0,0,0,0|3,0,0]=4 3126 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,0,0,0,0,0|3,0,0]=4 3127 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [1,0,0,0,0,0|3,0,0]=4 3128 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [1,0,0,0,0,0|3,0,0]=4 3129 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [1,0,0,0,0,0|3,0,0]=4 3130 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,0,0,0,0,0|3,0,0]=4 3131 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,0,0,0,0,0|3,0,0]=4 3132 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,0,0,0,0,0|2,0,0]=3 3133 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,0,0,0,0,0|2,0,0]=3 3134 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,0,0,0,0,0|3,0,0]=4 3135 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,0,0,0,0,0|3,0,0]=4 3136 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [1,0,0,0,0,0|3,0,0]=4 3137 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [1,0,0,0,0,0|3,0,0]=4 3138 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,0,0,0,0,0|2,0,1]=4 3139 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,0,0,0,0,0|2,0,1]=4 3140 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,0,0]=2 3141 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,0,0]=2 3142 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|2,0,0]=3 3143 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|2,0,0]=3 3144 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [1,0,0,0,0,0|3,0,0]=4 3145 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [1,0,0,0,0,0|3,0,0]=4 3146 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,0,0,0,0,0|2,0,0]=3 3147 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,0,0,0,0,0|2,0,0]=3 3148 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,0,0,0,0,0|3,0,0]=4 3149 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,0,0,0,0,0|3,0,0]=4 3150 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,0,0,0,0,0|3,0,0]=4 3151 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,0,0,0,0,0|3,0,0]=4 3152 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,0,0,0,0,0|3,0,0]=4 3153 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,0,0,0,0,0|3,0,0]=4 3154 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [1,0,0,0,0,0|3,0,0]=4 3155 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,0,0,0,0,0|2,0,0]=3 3156 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,0,0,0,0,0|2,0,0]=3 3157 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,0,0,0,0,0|2,0,0]=3 3158 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [1,0,0,0,0,0|3,0,0]=4 3159 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [1,0,0,0,0,0|3,0,0]=4 3160 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [1,0,0,0,0,0|3,0,0]=4 3161 B10R0.71 CCSCCNCCSCC 2230a_100000106463_100000757381 [1,0,0,0,0,0|3,0,0]=4 3162 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [1,0,0,0,0,0|3,0,0]=4 3163 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [1,0,0,0,0,0|3,0,0]=4 3164 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [1,0,0,0,0,0|3,0,0]=4 3165 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [1,0,0,0,0,0|3,0,0]=4 3166 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [1,0,0,0,0,0|3,0,0]=4 3167 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [1,0,0,0,0,0|3,0,0]=4 3168 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [1,0,0,0,0,0|3,0,0]=4 3169 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [1,0,0,0,0,0|3,0,0]=4 3170 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [1,0,0,0,0,0|3,0,0]=4 3171 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,0,0,0,0,0|2,0,0]=3 3172 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,0,0,0,0,0|2,0,0]=3 3173 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [1,0,0,0,0,0|3,0,0]=4 3174 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [1,0,0,0,0,0|3,0,0]=4 3175 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [1,0,0,0,0,0|3,0,0]=4 3176 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [1,0,0,0,0,0|3,0,0]=4 3177 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [1,0,0,0,0,0|3,0,0]=4 3178 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [1,0,0,0,0,0|3,0,0]=4 3179 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [1,0,0,0,0,0|3,0,0]=4 3180 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [1,0,0,0,0,0|3,0,0]=4 3181 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [1,0,0,0,0,0|3,0,0]=4 3182 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [1,0,0,0,0,0|3,0,0]=4 3183 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,0,0,0,0,0|2,0,0]=3 3184 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,0,0,0,0,0|2,0,0]=3 3185 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [1,0,0,0,0,0|3,0,0]=4 3186 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [1,0,0,0,0,0|3,0,0]=4 3187 B10R0.71 CCSCCSCCSCC 62a_100000757381_100000757381 [1,0,0,0,0,0|3,0,0]=4 3188 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|1,0,0]=2 3189 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|1,0,0]=2 3190 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|1,0,0]=2 3191 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,0]=2 3192 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|1,0,0]=2 3193 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,0,0,0,0,0|3,0,0]=4 3194 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,0,0,0,0,0|2,0,0]=3 3195 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,0,0,0,0,0|3,0,0]=4 3196 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [1,0,0,0,0,0|3,0,0]=4 3197 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,0,0,0,0,0|2,0,0]=3 3198 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,0,0,0,0,0|3,0,0]=4 3199 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [1,0,0,0,0,0|3,0,0]=4 3200 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [1,0,0,0,0,0|3,0,0]=4 3201 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [1,0,0,0,0,0|3,0,0]=4 3202 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [1,0,0,0,0,0|3,0,0]=4 3203 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [1,0,0,0,0,0|3,0,0]=4 3204 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [1,0,0,0,0,0|3,0,0]=4 3205 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|2,0,0]=3 3206 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|2,0,0]=3 3207 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|2,0,0]=3 3208 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|2,0,0]=3 3209 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,0]=3 3210 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,0]=2 3211 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 3212 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 3213 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,0,0,0,0,0|3,0,0]=4 3214 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,0,0,0,0,0|3,0,0]=4 3215 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 3216 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 3217 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,0,0,0,0,0|3,0,0]=4 3218 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|2,0,0]=3 3219 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|2,0,0]=3 3220 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [1,0,0,0,0,0|3,0,0]=4 3221 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [1,0,0,0,0,0|3,0,0]=4 3222 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [1,0,0,0,0,0|3,0,0]=4 3223 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,0,0,0,0,0|3,0,0]=4 3224 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,0,0,0,0,0|3,0,0]=4 3225 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [1,0,0,0,0,0|3,0,0]=4 3226 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [1,0,0,0,0,0|3,0,0]=4 3227 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,0,0,0,0,0|3,0,0]=4 3228 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,0,0,0,0,0|3,0,0]=4 3229 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,0,0,0,0,0|3,0,0]=4 3230 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,0,0,0,0,0|3,0,0]=4 3231 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,0,0,0,0,0|3,0,0]=4 3232 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,0]=3 3233 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,0,0,0,0,0|3,0,0]=4 3234 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,0,0,0,0,0|3,0,0]=4 3235 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,0,0,0,0,0|3,0,0]=4 3236 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,0,0,0,0,0|3,0,0]=4 3237 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,0,0,0,0,0|3,0,0]=4 3238 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,0,0,0,0,0|3,0,0]=4 3239 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,0,0,0,0,0|3,0,0]=4 3240 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|2,0,0]=3 3241 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|2,0,0]=3 3242 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [1,0,0,0,0,0|3,0,0]=4 3243 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [1,0,0,0,0,0|3,0,0]=4 3244 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [1,0,0,0,0,0|3,0,0]=4 3245 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [1,0,0,0,0,0|3,0,0]=4 3246 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [1,0,0,0,0,0|3,0,0]=4 3247 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|2,0,0]=3 3248 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|2,0,0]=3 3249 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|2,0,0]=3 3250 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [1,0,0,0,0,0|3,0,0]=4 3251 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [1,0,0,0,0,0|3,0,0]=4 3252 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,0,0,0,0,0|3,0,0]=4 3253 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,0,0,0,0,0|3,0,0]=4 3254 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,0,0,0,0,0|3,0,0]=4 3255 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,0,0,0,0,0|3,0,0]=4 3256 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,0,0,0,0,0|3,0,0]=4 3257 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,0,0,0,0,0|3,0,0]=4 3258 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,0,0,0,0,0|3,0,0]=4 3259 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,0,0,0,0,0|3,0,0]=4 3260 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|2,0,0]=3 3261 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [1,0,0,0,0,0|3,0,0]=4 3262 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [1,0,0,0,0,0|3,0,0]=4 3263 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [1,0,0,0,0,0|3,0,0]=4 3264 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [1,0,0,0,0,0|3,0,0]=4 3265 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [1,0,0,0,0,0|3,0,0]=4 3266 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [1,0,0,0,0,0|3,0,0]=4 3267 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [1,0,0,0,0,0|3,0,0]=4 3268 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [1,0,0,0,0,0|3,0,0]=4 3269 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [1,0,0,0,0,0|3,0,0]=4 3270 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|2,0,0]=3 3271 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|2,0,0]=3 3272 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [1,0,0,0,0,0|3,0,0]=4 3273 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,0,0,0,0,0|3,0,0]=4 3274 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|2,0,0]=3 3275 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|2,0,0]=3 3276 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,0]=3 3277 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [1,0,0,0,0,0|3,0,0]=4 3278 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [1,0,0,0,0,0|3,0,0]=4 3279 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [1,0,0,0,0,0|3,0,0]=4 3280 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [1,0,0,0,0,0|3,0,0]=4 3281 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,0,0,0,0,0|3,0,0]=4 3282 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,0,0,0,0,0|3,0,0]=4 3283 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,0,0,0,0,0|3,0,0]=4 3284 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,0,0,0,0,0|3,0,0]=4 3285 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,0,0,0,0,0|3,0,0]=4 3286 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,0,0,0,0,0|3,0,0]=4 3287 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,0,0,0,0,0|3,0,0]=4 3288 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,0,0,0,0,0|3,0,0]=4 3289 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|2,0,0]=3 3290 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,0,0,0,0,0|3,0,0]=4 3291 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,0,0,0,0,0|3,0,0]=4 3292 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [1,0,0,0,0,0|3,0,0]=4 3293 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [1,0,0,0,0,0|3,0,0]=4 3294 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [1,0,0,0,0,0|3,0,0]=4 3295 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [1,0,0,0,0,0|3,0,0]=4 3296 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [1,0,0,0,0,0|3,0,0]=4 3297 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [1,0,0,0,0,0|3,0,0]=4 3298 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [1,0,0,0,0,0|3,0,0]=4 3299 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [1,0,0,0,0,0|3,0,0]=4 3300 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [1,0,0,0,0,0|3,0,0]=4 3301 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [1,0,0,0,0,0|3,0,0]=4 3302 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [1,0,0,0,0,0|3,0,0]=4 3303 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [1,0,0,0,0,0|3,0,0]=4 3304 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,0,0,0,0,0|3,0,0]=4 3305 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,0,0,0,0,0|3,0,0]=4 3306 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|2,0,0]=3 3307 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|2,0,0]=3 3308 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [1,0,0,0,0,0|3,0,0]=4 3309 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [1,0,0,0,0,0|3,0,0]=4 3310 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|2,0,0]=3 3311 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,0,0,0,0,0|3,0,0]=4 3312 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,0,0,0,0,0|3,0,0]=4 3313 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|2,0,0]=3 3314 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|2,0,0]=3 3315 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,0,0]=2 3316 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,0,0]=2 3317 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,0,0,0,0,0|3,0,0]=4 3318 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,0,0,0,0,0|3,0,0]=4 3319 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|2,0,0]=3 3320 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|2,0,0]=3 3321 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [1,0,0,0,0,0|3,0,0]=4 3322 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [1,0,0,0,0,0|3,0,0]=4 3323 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [1,0,0,0,0,0|3,0,0]=4 3324 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,0,0,0,0,0|2,0,0]=3 3325 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [1,0,0,0,0,0|3,0,0]=4 3326 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [1,0,0,0,0,0|3,0,0]=4 3327 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,0,0,0,0,0|2,0,0]=3 3328 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,0,0,0,0,0|2,0,0]=3 3329 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [1,0,0,0,0,0|3,0,0]=4 3330 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,0,0,0,0,0|2,0,0]=3 3331 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,0,0,0,0,0|2,0,0]=3 3332 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,0,0,0,0,0|2,0,0]=3 3333 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [1,0,0,0,0,0|3,0,0]=4 3334 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [1,0,0,0,0,0|3,0,0]=4 3335 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [1,0,0,0,0,0|3,0,0]=4 3336 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [1,0,0,0,0,0|3,0,0]=4 3337 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,0,0,0,0,0|3,0,0]=4 3338 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,0,0,0,0,0|3,0,0]=4 3339 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,0,0,0,0,0|3,0,0]=4 3340 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,0,0,0,0,0|3,0,0]=4 3341 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,0,0,0,0,0|3,0,0]=4 3342 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,0,0,0,0,0|3,0,0]=4 3343 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,0,0,0,0,0|3,0,0]=4 3344 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,0,0,0,0,0|3,0,0]=4 3345 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,0,0,0,0,0|3,0,0]=4 3346 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|2,0,0]=3 3347 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|2,0,0]=3 3348 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [1,0,0,0,0,0|3,0,0]=4 3349 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [1,0,0,0,0,0|3,0,0]=4 3350 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [1,0,0,0,0,0|3,0,0]=4 3351 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [1,0,0,0,0,0|3,0,0]=4 3352 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [1,0,0,0,0,0|3,0,0]=4 3353 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [1,0,0,0,0,0|3,0,0]=4 3354 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,0,0,0,0,0|2,0,0]=3 3355 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,0,0,0,0,0|2,0,0]=3 3356 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [1,0,0,0,0,0|3,0,0]=4 3357 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [1,0,0,0,0,0|3,0,0]=4 3358 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,0,0,0,0,0|2,0,0]=3 3359 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,0,0,0,0,0|2,0,0]=3 3360 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,0,0,0,0,0|3,0,0]=4 3361 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,0,0,0,0,0|3,0,0]=4 3362 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,0,0,0,0,0|3,0,0]=4 3363 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,0,0,0,0,0|3,0,0]=4 3364 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [1,0,0,0,0,0|3,0,0]=4 3365 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [1,0,0,0,0,0|3,0,0]=4 3366 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,0,0,0,0,0|2,0,0]=3 3367 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,0,0,0,0,0|2,0,0]=3 3368 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [1,0,0,0,0,0|3,0,0]=4 3369 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,0,0,0,0,0|3,0,0]=4 3370 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,0,0,0,0,0|3,0,0]=4 3371 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,0,0,0,0,0|3,0,0]=4 3372 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [1,0,0,0,0,0|3,0,0]=4 3373 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [1,0,0,0,0,0|3,0,0]=4 3374 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [1,0,0,0,0,0|3,0,0]=4 3375 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [1,0,0,0,0,0|3,0,0]=4 3376 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [1,0,0,0,0,0|3,0,0]=4 3377 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [1,0,0,0,0,0|3,0,0]=4 3378 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [1,0,0,0,0,0|3,0,0]=4 3379 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [1,0,0,0,0,0|3,0,0]=4 3380 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [1,0,0,0,0,0|3,0,0]=4 3381 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [1,0,0,0,0,0|3,0,0]=4 3382 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [1,0,0,0,0,0|3,0,0]=4 3383 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [1,0,0,0,0,0|3,0,0]=4 3384 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [1,0,0,0,0,0|3,0,0]=4 3385 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [1,0,0,0,0,0|3,0,0]=4 3386 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [1,0,0,0,0,0|3,0,0]=4 3387 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [1,0,0,0,0,0|3,0,0]=4 3388 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [1,0,0,0,0,0|3,0,0]=4 3389 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [1,0,0,0,0,0|3,0,0]=4 3390 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [1,0,0,0,0,0|3,0,0]=4 3391 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [1,0,0,0,0,0|3,0,0]=4 3392 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [1,0,0,0,0,0|3,0,0]=4 3393 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [1,0,0,0,0,0|3,0,0]=4 3394 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,0,0,0,0,0|3,0,0]=4 3395 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,0,0,0,0,0|3,0,0]=4 3396 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,0,0,0,0,0|3,0,0]=4 3397 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,0,0,0,0,0|3,0,0]=4 3398 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 3399 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 3400 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [1,0,0,0,0,0|2,0,1]=4 3401 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [1,0,0,0,0,0|2,0,1]=4 3402 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [1,0,0,0,0,0|2,0,1]=4 3403 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [1,0,0,0,0,0|2,0,1]=4 3404 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [1,0,0,0,0,0|2,0,1]=4 3405 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [1,0,0,0,0,0|2,0,1]=4 3406 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [1,0,0,0,0,0|2,0,1]=4 3407 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [1,0,0,0,0,0|2,0,1]=4 3408 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [1,0,0,0,0,0|2,0,1]=4 3409 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [1,0,0,0,0,0|2,0,1]=4 3410 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [1,0,0,0,0,0|2,0,1]=4 3411 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [1,0,0,0,0,0|2,0,1]=4 3412 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [1,0,0,0,0,0|2,0,1]=4 3413 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [1,0,0,0,0,0|2,0,1]=4 3414 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,0,0,0,0,0|3,0,0]=4 3415 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|3,0,0]=4 3416 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,0]=3 3417 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|3,0,0]=4 3418 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,0]=3 3419 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|3,0,0]=4 3420 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,0]=3 3421 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,0,0,0,0,0|3,0,0]=4 3422 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,0,0,0,0,0|2,0,0]=3 3423 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [1,0,0,0,0,0|3,0,0]=4 3424 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,0,0,0,0,0|3,0,0]=4 3425 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,0,0,0,0,0|2,0,0]=3 3426 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 3427 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [1,0,0,0,0,0|3,0,0]=4 3428 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|2,0,1]=4 3429 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|2,0,1]=4 3430 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|2,0,1]=4 3431 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|2,0,1]=4 3432 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|2,0,1]=4 3433 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,1]=4 3434 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,1]=4 3435 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,1]=4 3436 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,1]=4 3437 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,1]=4 3438 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,1]=4 3439 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,1]=4 3440 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,0,0,0,0,0|2,0,0]=3 3441 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,0,0,0,0,0|2,0,0]=3 3442 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,0,0,0,0,0|2,0,0]=3 3443 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,0,0,0,0,0|2,0,0]=3 3444 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|2,0,0]=3 3445 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,0,0,0,0,0|2,0,0]=3 3446 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,0,0,0,0,0|2,0,0]=3 3447 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,0,0,0,0,0|2,0,0]=3 3448 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,0]=3 3449 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,0,0,0,0,0|2,0,0]=3 3450 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,0,0,0,0,0|2,0,0]=3 3451 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,0,0,0,0,0|2,0,0]=3 3452 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,0,0,0,0,0|2,0,0]=3 3453 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,0,0,0,0,0|2,0,0]=3 3454 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,0,0,0,0,0|2,0,0]=3 3455 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [1,0,0,0,0,0|2,0,0]=3 3456 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [1,0,0,0,0,0|2,0,0]=3 3457 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|2,0,0]=3 3458 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [1,0,0,0,0,0|2,0,0]=3 3459 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [1,0,0,0,0,0|2,0,0]=3 3460 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,0]=3 3461 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,0,0,0,0,0|2,0,0]=3 3462 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,0,0,0,0,0|2,0,0]=3 3463 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,0,0,0,0,0|2,0,0]=3 3464 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [1,0,0,0,0,0|2,0,0]=3 3465 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [1,0,0,0,0,0|2,0,0]=3 3466 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [1,0,0,0,0,0|2,0,0]=3 3467 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [1,0,0,0,0,0|2,0,0]=3 3468 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [1,0,0,0,0,0|2,0,0]=3 3469 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|2,0,0]=3 3470 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [1,0,0,0,0,0|2,0,0]=3 3471 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,0]=3 3472 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,0,0,0,0,0|2,0,0]=3 3473 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,0,0,0,0,0|2,0,0]=3 3474 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,0,0,0,0,0|2,0,0]=3 3475 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,0,0,0,0,0|2,0,0]=3 3476 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,0,0,0,0,0|2,0,0]=3 3477 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,0,0,0,0,0|2,0,0]=3 3478 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [1,0,0,0,0,0|2,0,0]=3 3479 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [1,0,0,0,0,0|2,0,0]=3 3480 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [1,0,0,0,0,0|2,0,0]=3 3481 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 3482 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 3483 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [1,0,0,0,0,0|3,0,0]=4 3484 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,0,0,0,0,0|2,0,0]=3 3485 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,0,0,0,0,0|2,0,0]=3 3486 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,0,0,0,0,0|2,0,0]=3 3487 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,0,0,0,0,0|2,0,0]=3 3488 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,0,0,0,0,0|2,0,0]=3 3489 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,0,0,0,0,0|2,0,0]=3 3490 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [1,0,0,0,0,0|3,0,0]=4 3491 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [1,0,0,0,0,0|3,0,0]=4 3492 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [1,0,0,0,0,0|3,0,0]=4 3493 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [1,0,0,0,0,0|3,0,0]=4 3494 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [1,0,0,0,0,0|3,0,0]=4 3495 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [1,0,0,0,0,0|3,0,0]=4 3496 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [1,0,0,0,0,0|3,0,0]=4 3497 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [1,0,0,0,0,0|3,0,0]=4 3498 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [1,0,0,0,0,0|3,0,0]=4 3499 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [1,0,0,0,0,0|2,0,0]=3 3500 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [1,0,0,0,0,0|2,0,0]=3 3501 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [1,0,0,0,0,0|3,0,0]=4 3502 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [1,0,0,0,0,0|3,0,0]=4 3503 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,0,0,0,0,0|2,0,0]=3 3504 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,0,0,0,0,0|2,0,0]=3 3505 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,0,0,0,0,0|2,0,0]=3 3506 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,0,0,0,0,0|2,0,0]=3 3507 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,0,0,0,0,0|2,0,0]=3 3508 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,0,0,0,0,0|2,0,0]=3 3509 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,0,0,0,0,0|2,0,0]=3 3510 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,0,0,0,0,0|2,0,0]=3 3511 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [1,0,0,0,0,0|3,0,0]=4 3512 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [1,0,0,0,0,0|3,0,0]=4 3513 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [1,0,0,0,0,0|3,0,0]=4 3514 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [1,0,0,0,0,0|3,0,0]=4 3515 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [1,0,0,0,0,0|3,0,0]=4 3516 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [1,0,0,0,0,0|3,0,0]=4 3517 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [1,0,0,0,0,0|3,0,0]=4 3518 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [1,0,0,0,0,0|3,0,0]=4 3519 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [1,0,0,0,0,0|3,0,0]=4 3520 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,0,0,0,0,0|2,0,0]=3 3521 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,0,0,0,0,0|2,0,0]=3 3522 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [1,0,0,0,0,0|3,0,0]=4 3523 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|1,0,0]=2 3524 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,0]=2 3525 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [1,0,0,0,0,0|3,0,0]=4 3526 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [1,0,0,0,0,0|3,0,0]=4 3527 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|2,0,0]=3 3528 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|2,0,0]=3 3529 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|2,0,0]=3 3530 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|2,0,0]=3 3531 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,0]=3 3532 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,0,0,0,0,0|3,0,0]=4 3533 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,0,0]=2 3534 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,0,0]=2 3535 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [1,0,0,0,0,0|3,0,0]=4 3536 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [1,0,0,0,0,0|3,0,0]=4 3537 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,1,0,0,0,0|1,0,2]=4 3538 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,1,0,0,0,0|1,0,2]=4 3539 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,1,0,0,0,0|0,0,3]=4 3540 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,1,0,0,0,0|0,0,3]=4 3541 B12R0.1 C#CCC(C)OCCCCCCC 34a_100000685586_100000210614 [0,1,0,0,0,0|2,0,1]=4 3542 B12R0.1 C#CCC(C)OCCCCCCC 7a_100000685586_100000210614 [0,1,0,0,0,0|2,0,1]=4 3543 B12R0.1 C#CCC(C)OCCCCCCO 34a_100000685586_100000766143 [0,1,0,0,0,0|1,0,2]=4 3544 B12R0.1 C#CCC(C)OCCCCCCO 7a_100000685586_100000766143 [0,1,0,0,0,0|1,0,2]=4 3545 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,1,0,0,0,0|1,0,2]=4 3546 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,1,0,0,0,0|1,0,2]=4 3547 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,1,0,0,0,0|0,0,3]=4 3548 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,1,0,0,0,0|0,0,3]=4 3549 B12R0.1 C#CCCCCCCN(C)CCC 2230a_100000747261_100012276617 [0,1,0,0,0,0|2,0,1]=4 3550 B12R0.1 C#CCCCCCCN(C)CCC 269982a_100000747261_100012276617 [0,1,0,0,0,0|2,0,1]=4 3551 B12R0.1 C#CCCCCCCN(C)CCO 2230a_100000210263_100012276617 [0,1,0,0,0,0|1,0,2]=4 3552 B12R0.1 C#CCCCCCCN(C)CCO 269982a_100000210263_100012276617 [0,1,0,0,0,0|1,0,2]=4 3553 B12R0.1 C#CCCCCCNC(C)CCC 2230a_100000741246_100012094781 [0,1,0,0,0,0|2,0,1]=4 3554 B12R0.1 C#CCCCCCN[C@H](C)CCO 2230a_100000706166_100012094781 [0,1,0,0,0,0|1,0,2]=4 3555 B12R0.1 C#CCCCCCN[C@H](C)CCO 34a_100000706166_100012094781 [0,1,0,0,0,0|1,0,2]=4 3556 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000764384_100012094781 [0,1,0,0,0,0|2,0,1]=4 3557 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000766912_100000766640 [0,1,0,0,0,0|2,0,1]=4 3558 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000764384_100012094781 [0,1,0,0,0,0|2,0,1]=4 3559 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000766912_100000766640 [0,1,0,0,0,0|2,0,1]=4 3560 B12R0.1 C#CCCCCCOC(C)CCO 34a_100000766912_100009893172 [0,1,0,0,0,0|1,0,2]=4 3561 B12R0.1 C#CCCCCCOC(C)CCO 7a_100000766912_100009893172 [0,1,0,0,0,0|1,0,2]=4 3562 B12R0.1 C#CCCCCCSC(C)CCC 62a_100000766640_100012094781 [0,1,0,0,0,0|2,0,1]=4 3563 B12R0.1 C#CCCCCCSC(C)CCC 62a_100012094781_100000766640 [0,1,0,0,0,0|2,0,1]=4 3564 B12R0.1 C#CCCCCCSC(C)CCO 62a_100009893172_100012094781 [0,1,0,0,0,0|1,0,2]=4 3565 B12R0.1 C#CCCCCCSC(C)CCO 62a_100012094781_100009893172 [0,1,0,0,0,0|1,0,2]=4 3566 B12R0.1 C#CCCCCNCC(C)CCC 2230a_100000706060_100011216630 [0,1,0,0,0,0|2,0,1]=4 3567 B12R0.1 C#CCCCCNCC(C)CCC 34a_100000706060_100011216630 [0,1,0,0,0,0|2,0,1]=4 3568 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000688023_100010269958 [0,1,0,0,0,0|2,0,1]=4 3569 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000766709_100011216630 [0,1,0,0,0,0|2,0,1]=4 3570 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000688023_100010269958 [0,1,0,0,0,0|2,0,1]=4 3571 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000766709_100011216630 [0,1,0,0,0,0|2,0,1]=4 3572 B12R0.1 C#CCCCCOC[C@@H](N)CCC 34a_100000732646_100010269958 [0,1,0,0,0,0|2,0,1]=4 3573 B12R0.1 C#CCCCCSCC(C)CCC 62a_100010269958_100011216630 [0,1,0,0,0,0|2,0,1]=4 3574 B12R0.1 C#CCCCCSCC(C)CCC 62a_100011216630_100010269958 [0,1,0,0,0,0|2,0,1]=4 3575 B12R0.1 C#CCCCOCCC(C)CCC 34a_100011217855_100000695029 [0,1,0,0,0,0|2,0,1]=4 3576 B12R0.1 C#CCCCOCCC(C)CCC 7a_100011217855_100011215417 [0,1,0,0,0,0|2,0,1]=4 3577 B12R0.1 C#CCCCOCC[C@@H](N)CCC 34a_100015193777_100000695029 [0,1,0,0,0,0|2,0,1]=4 3578 B12R0.1 C#CCCOCCCC(C)CCC 34a_100011713154_100000688953 [0,1,0,0,0,0|2,0,1]=4 3579 B12R0.1 C#CCCOCCCC(C)CCC 7a_100011713154_100000688953 [0,1,0,0,0,0|2,0,1]=4 3580 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000207567_100000038162 [0,1,0,0,0,0|2,0,1]=4 3581 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000225692_100000210759 [0,1,0,0,0,0|2,0,1]=4 3582 B12R0.1 C#CCN(C)CCCCCCCC 34a_100000225692_100000210759 [0,1,0,0,0,0|2,0,1]=4 3583 B12R0.1 C#CCN(C)CCCCCCCO 2230a_100000225692_100000760002 [0,1,0,0,0,0|1,0,2]=4 3584 B12R0.1 C#CCN(C)CCCCCCCO 34a_100000225692_100000760002 [0,1,0,0,0,0|1,0,2]=4 3585 B12R0.1 C/C=C/C(C)OCCCCCCO 34a_200102604097_100000766143 [0,1,0,0,0,0|1,0,2]=4 3586 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,1,0,0,0,0|1,0,2]=4 3587 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,1,0,0,0,0|1,0,2]=4 3588 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,1,0,0,0,0|0,0,3]=4 3589 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,1,0,0,0,0|0,0,3]=4 3590 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,1,0,0,0,0|2,0,1]=4 3591 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,1,0,0,0,0|2,0,1]=4 3592 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,1,0,0,0,0|1,0,2]=4 3593 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,1,0,0,0,0|1,0,2]=4 3594 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,0,0,0,0|1,0,2]=4 3595 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,0,0,0,0|1,0,2]=4 3596 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,1,0,0,0,0|0,0,3]=4 3597 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,1,0,0,0,0|0,0,3]=4 3598 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [0,1,0,0,0,0|2,0,1]=4 3599 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [0,1,0,0,0,0|2,0,1]=4 3600 B12R0.1 C=CCCCCCCN(C)CCO 2230a_100000210263_100011215473 [0,1,0,0,0,0|1,0,2]=4 3601 B12R0.1 C=CCCCCCCN(C)CCO 269982a_100000210263_100011215473 [0,1,0,0,0,0|1,0,2]=4 3602 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [0,1,0,0,0,0|2,0,1]=4 3603 B12R0.1 C=CCCCCCN[C@H](C)CCO 2230a_100000706166_100000700193 [0,1,0,0,0,0|1,0,2]=4 3604 B12R0.1 C=CCCCCCN[C@H](C)CCO 34a_100000706166_100000700193 [0,1,0,0,0,0|1,0,2]=4 3605 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,1,0,0,0,0|2,0,1]=4 3606 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,1,0,0,0,0|2,0,1]=4 3607 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,1,0,0,0,0|2,0,1]=4 3608 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,1,0,0,0,0|2,0,1]=4 3609 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [0,1,0,0,0,0|1,0,2]=4 3610 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [0,1,0,0,0,0|1,0,2]=4 3611 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [0,1,0,0,0,0|2,0,1]=4 3612 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [0,1,0,0,0,0|2,0,1]=4 3613 B12R0.1 C=CCCCCCSC(C)CCO 62a_100000700193_100009893172 [0,1,0,0,0,0|1,0,2]=4 3614 B12R0.1 C=CCCCCCSC(C)CCO 62a_100009893172_100000700193 [0,1,0,0,0,0|1,0,2]=4 3615 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [0,1,0,0,0,0|2,0,1]=4 3616 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [0,1,0,0,0,0|2,0,1]=4 3617 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [0,1,0,0,0,0|2,0,1]=4 3618 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [0,1,0,0,0,0|2,0,1]=4 3619 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [0,1,0,0,0,0|2,0,1]=4 3620 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [0,1,0,0,0,0|2,0,1]=4 3621 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [0,1,0,0,0,0|2,0,1]=4 3622 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [0,1,0,0,0,0|2,0,1]=4 3623 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [0,1,0,0,0,0|2,0,1]=4 3624 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [0,1,0,0,0,0|2,0,1]=4 3625 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [0,1,0,0,0,0|2,0,1]=4 3626 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [0,1,0,0,0,0|2,0,1]=4 3627 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [0,1,0,0,0,0|2,0,1]=4 3628 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [0,1,0,0,0,0|2,0,1]=4 3629 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [0,1,0,0,0,0|2,0,1]=4 3630 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [0,1,0,0,0,0|2,0,1]=4 3631 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [0,1,0,0,0,0|2,0,1]=4 3632 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [0,1,0,0,0,0|2,0,1]=4 3633 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [0,1,0,0,0,0|2,0,1]=4 3634 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [0,1,0,0,0,0|1,0,2]=4 3635 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [0,1,0,0,0,0|1,0,2]=4 3636 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,1,0,0,0,0|2,0,1]=4 3637 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,1,0,0,0,0|2,0,1]=4 3638 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [0,1,0,0,0,0|1,0,2]=4 3639 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [0,1,0,0,0,0|1,0,2]=4 3640 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,1,0,0,0,0|2,0,1]=4 3641 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,1,0,0,0,0|1,0,2]=4 3642 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,1,0,0,0,0|0,0,3]=4 3643 B12R0.1 CC#CC(C)OCCCCCCO 34a_100011216543_100000766143 [0,1,0,0,0,0|1,0,2]=4 3644 B12R0.1 CC(CC#N)NCCCCCCO 2230a_100000686447_100009813641 [0,1,0,0,0,0|2,0,1]=4 3645 B12R0.1 CC(CC#N)SCCCCCCO 62a_100000766143_100009813641 [0,1,0,0,0,0|2,0,1]=4 3646 B12R0.1 CC(CC#N)SCCCCCCO 62a_100009813641_100000766143 [0,1,0,0,0,0|2,0,1]=4 3647 B12R0.1 CC(CCBr)OCCCCCCF 34a_100012276601_100015922095 [0,1,0,0,0,0|3,0,0]=4 3648 B12R0.1 CC(CCBr)OCCCCCCO 34a_100012276601_100000766143 [0,1,0,0,0,0|2,0,0]=3 3649 B12R0.1 CC(CCN)COCCCCCF 34a_106354213184_100000729378 [0,1,0,0,0,0|3,0,0]=4 3650 B12R0.1 CC(CCN)COCCCCCO 34a_106354213184_100000746330 [0,1,0,0,0,0|2,0,0]=3 3651 B12R0.1 CC(CCN)COCCOCCO 34a_106354213184_100000692535 [0,1,0,0,0,0|3,0,0]=4 3652 B12R0.1 CC(CCO)NCCCCCCO 2230a_100000686447_100009893172 [0,1,0,0,0,0|2,0,0]=3 3653 B12R0.1 CC(CCO)NCCCCCCO 34a_100000686447_100009893172 [0,1,0,0,0,0|2,0,0]=3 3654 B12R0.1 CC(CCO)OCCCCCCBr 34a_100011215345_100009893172 [0,1,0,0,0,0|2,0,0]=3 3655 B12R0.1 CC(CCO)OCCCCCCBr 7a_100011215345_100009893172 [0,1,0,0,0,0|2,0,0]=3 3656 B12R0.1 CC(CCO)OCCCCCCCl 34a_100000766143_100009893172 [0,1,0,0,0,0|2,0,0]=3 3657 B12R0.1 CC(CCO)OCCCCCCCl 7a_100000766143_100009893172 [0,1,0,0,0,0|2,0,0]=3 3658 B12R0.1 CC(CCO)OCCCCCCF 34a_100000732779_100009893172 [0,1,0,0,0,0|2,0,0]=3 3659 B12R0.1 CC(CCO)OCCCCCCF 7a_100000732779_100009893172 [0,1,0,0,0,0|2,0,0]=3 3660 B12R0.1 CC(CCO)OCCCCCCN 34a_100000686447_100009893172 [0,1,0,0,0,0|2,0,0]=3 3661 B12R0.1 CC(CCO)SCCCCCC#N 62a_100009813376_100009893172 [0,1,0,0,0,0|2,0,1]=4 3662 B12R0.1 CC(CCO)SCCCCCC#N 62a_100009893172_100009813376 [0,1,0,0,0,0|2,0,1]=4 3663 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [0,1,0,0,0,0|2,0,1]=4 3664 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [0,1,0,0,0,0|2,0,1]=4 3665 B12R0.1 CC(CCO)SCCCCCCF 62a_100009893172_100015922095 [0,1,0,0,0,0|2,0,0]=3 3666 B12R0.1 CC(CCO)SCCCCCCF 62a_100015922095_100009893172 [0,1,0,0,0,0|2,0,0]=3 3667 B12R0.1 CC(CCO)SCCCCCCO 62a_100000766143_100009893172 [0,1,0,0,0,0|2,0,0]=3 3668 B12R0.1 CC(CCO)SCCCCCCO 62a_100009893172_100000766143 [0,1,0,0,0,0|2,0,0]=3 3669 B12R0.1 CC/C=C/CCCOC(C)CCO 34a_100016287902_100009893172 [0,1,0,0,0,0|1,0,2]=4 3670 B12R0.1 CC/C=C/CCCOC(C)CCO 7a_100016287902_100009893172 [0,1,0,0,0,0|1,0,2]=4 3671 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,1,0,0,0,0|0,0,3]=4 3672 B12R0.1 CCCC#CCCOC(C)CCO 34a_100000042726_100009893172 [0,1,0,0,0,0|1,0,2]=4 3673 B12R0.1 CCCC#CCCOC(C)CCO 7a_100000042726_100009893172 [0,1,0,0,0,0|1,0,2]=4 3674 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,1,0,0,0,0|1,0,2]=4 3675 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|0,0,1]=2 3676 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|0,0,1]=2 3677 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,0,0,0,0|2,0,1]=4 3678 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,1,0,0,0,0|1,0,1]=3 3679 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [0,1,0,0,0,0|2,0,1]=4 3680 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [0,1,0,0,0,0|2,0,1]=4 3681 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,1,0,0,0,0|2,0,1]=4 3682 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,1,0,0,0,0|2,0,1]=4 3683 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,1,0,0,0,0|2,0,1]=4 3684 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,1,0,0,0,0|2,0,1]=4 3685 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,1,0,0,0,0|2,0,1]=4 3686 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,1,0,0,0,0|2,0,1]=4 3687 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,1,0,0,0,0|1,0,1]=3 3688 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,1,0,0,0,0|1,0,1]=3 3689 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [0,1,0,0,0,0|2,0,1]=4 3690 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [0,1,0,0,0,0|2,0,1]=4 3691 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,1,0,0,0,0|1,0,1]=3 3692 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,1,0,0,0,0|1,0,1]=3 3693 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,1,0,0,0,0|2,0,1]=4 3694 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,1,0,0,0,0|2,0,1]=4 3695 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,1,0,0,0,0|2,0,1]=4 3696 B12R0.1 CCCC(C)CCCOCCC#N 7a_100011713154_100000184422 [0,1,0,0,0,0|2,0,1]=4 3697 B12R0.1 CCCC(C)CCCOCCCF 34a_100011713154_100011934791 [0,1,0,0,0,0|2,0,0]=3 3698 B12R0.1 CCCC(C)CCCOCCCF 7a_100011713154_100011934791 [0,1,0,0,0,0|2,0,0]=3 3699 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,1,0,0,0,0|1,0,0]=2 3700 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,1,0,0,0,0|1,0,0]=2 3701 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [0,1,0,0,0,0|3,0,0]=4 3702 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [0,1,0,0,0,0|3,0,0]=4 3703 B12R0.1 CCCC(C)CCCOCCSC 34a_100011713154_100000212216 [0,1,0,0,0,0|3,0,0]=4 3704 B12R0.1 CCCC(C)CCCOCCSC 7a_100011713154_100000212216 [0,1,0,0,0,0|3,0,0]=4 3705 B12R0.1 CCCC(C)CCOCC#CCO 34a_100011217855_200000047223 [0,1,0,0,0,0|1,0,2]=4 3706 B12R0.1 CCCC(C)CCOCC#CCO 7a_100011217855_200000047223 [0,1,0,0,0,0|1,0,2]=4 3707 B12R0.1 CCCC(C)CCOCCCC#N 7a_100011217855_100000687738 [0,1,0,0,0,0|2,0,1]=4 3708 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [0,1,0,0,0,0|1,0,2]=4 3709 B12R0.1 CCCC(C)CCOCCCCF 34a_100011217855_100000729493 [0,1,0,0,0,0|2,0,0]=3 3710 B12R0.1 CCCC(C)CCOCCCCF 7a_100011217855_100000729493 [0,1,0,0,0,0|2,0,0]=3 3711 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,1,0,0,0,0|1,0,0]=2 3712 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,1,0,0,0,0|1,0,0]=2 3713 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [0,1,0,0,0,0|3,0,0]=4 3714 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [0,1,0,0,0,0|3,0,0]=4 3715 B12R0.1 CCCC(C)CCOCCOCC 34a_100011217855_100000210147 [0,1,0,0,0,0|3,0,0]=4 3716 B12R0.1 CCCC(C)CCOCCOCC 7a_100011217855_100011215890 [0,1,0,0,0,0|3,0,0]=4 3717 B12R0.1 CCCC(C)CCOCCSCC 34a_100011217855_100000757381 [0,1,0,0,0,0|3,0,0]=4 3718 B12R0.1 CCCC(C)CCOCCSCC 7a_100011217855_100000757381 [0,1,0,0,0,0|3,0,0]=4 3719 B12R0.1 CCCC(C)CNCCCCC#N 270004a_100000751965_100000243154 [0,1,0,0,0,0|2,0,1]=4 3720 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,1,0,0,0,0|1,0,0]=2 3721 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,1,0,0,0,0|1,0,0]=2 3722 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,1,0,0,0,0|1,0,0]=2 3723 B12R0.1 CCCC(C)CNCCCOCC 2230a_100000210961_100011216630 [0,1,0,0,0,0|3,0,0]=4 3724 B12R0.1 CCCC(C)CNCCCOCC 270004a_100000210961_100000243154 [0,1,0,0,0,0|3,0,0]=4 3725 B12R0.1 CCCC(C)CNCCCOCC 34a_100000210961_100011216630 [0,1,0,0,0,0|3,0,0]=4 3726 B12R0.1 CCCC(C)CNCCOCCO 2230a_100000211614_100011216630 [0,1,0,0,0,0|2,0,0]=3 3727 B12R0.1 CCCC(C)CNCCOCCO 270004a_100000211614_100000243154 [0,1,0,0,0,0|2,0,0]=3 3728 B12R0.1 CCCC(C)CNCCOCCO 34a_100000211614_100011216630 [0,1,0,0,0,0|2,0,0]=3 3729 B12R0.1 CCCC(C)CNCCSCCO 2230a_100011219999_100011216630 [0,1,0,0,0,0|2,0,0]=3 3730 B12R0.1 CCCC(C)CNCCSCCO 270004a_100011219999_100000243154 [0,1,0,0,0,0|2,0,0]=3 3731 B12R0.1 CCCC(C)COCCCCC#N 7a_100000688023_100000211819 [0,1,0,0,0,0|2,0,1]=4 3732 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [0,1,0,0,0,0|1,0,2]=4 3733 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [0,1,0,0,0,0|2,0,0]=3 3734 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [0,1,0,0,0,0|2,0,0]=3 3735 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [0,1,0,0,0,0|2,0,0]=3 3736 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [0,1,0,0,0,0|2,0,0]=3 3737 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [0,1,0,0,0,0|2,0,0]=3 3738 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [0,1,0,0,0,0|2,0,0]=3 3739 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [0,1,0,0,0,0|2,0,0]=3 3740 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [0,1,0,0,0,0|2,0,0]=3 3741 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [0,1,0,0,0,0|2,0,0]=3 3742 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,1,0,0,0,0|1,0,0]=2 3743 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,1,0,0,0,0|1,0,0]=2 3744 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [0,1,0,0,0,0|3,0,0]=4 3745 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [0,1,0,0,0,0|3,0,0]=4 3746 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [0,1,0,0,0,0|3,0,0]=4 3747 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [0,1,0,0,0,0|3,0,0]=4 3748 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [0,1,0,0,0,0|3,0,0]=4 3749 B12R0.1 CCCC(C)COCCCOCC 34a_100000688023_100012232248 [0,1,0,0,0,0|3,0,0]=4 3750 B12R0.1 CCCC(C)COCCCOCC 34a_100000757476_100011216630 [0,1,0,0,0,0|3,0,0]=4 3751 B12R0.1 CCCC(C)COCCCOCC 7a_100000688023_100012232248 [0,1,0,0,0,0|3,0,0]=4 3752 B12R0.1 CCCC(C)COCCCOCC 7a_100000757476_100011216630 [0,1,0,0,0,0|3,0,0]=4 3753 B12R0.1 CCCC(C)COCCCSCC 34a_100011216438_100011216630 [0,1,0,0,0,0|3,0,0]=4 3754 B12R0.1 CCCC(C)COCCCSCC 7a_100011216438_100011216630 [0,1,0,0,0,0|3,0,0]=4 3755 B12R0.1 CCCC(C)COCCOCCBr 34a_100000692535_100011216630 [0,1,0,0,0,0|3,0,0]=4 3756 B12R0.1 CCCC(C)COCCOCCBr 7a_100000692535_100011216630 [0,1,0,0,0,0|3,0,0]=4 3757 B12R0.1 CCCC(C)COCCOCCCl 34a_100011215305_100011216630 [0,1,0,0,0,0|3,0,0]=4 3758 B12R0.1 CCCC(C)COCCOCCCl 7a_100011215305_100011216630 [0,1,0,0,0,0|3,0,0]=4 3759 B12R0.1 CCCC(C)COCCOCCF 34a_200015357709_100011216630 [0,1,0,0,0,0|3,0,0]=4 3760 B12R0.1 CCCC(C)COCCOCCF 7a_200015357709_100011216630 [0,1,0,0,0,0|3,0,0]=4 3761 B12R0.1 CCCC(C)COCCOCCI 34a_100012149058_100011216630 [0,1,0,0,0,0|3,0,0]=4 3762 B12R0.1 CCCC(C)COCCOCCI 7a_100012149058_100011216630 [0,1,0,0,0,0|3,0,0]=4 3763 B12R0.1 CCCC(C)COCCOCCN 34a_100000211614_100011216630 [0,1,0,0,0,0|3,0,0]=4 3764 B12R0.1 CCCC(C)COCCOCCO 34a_100000688023_100000692535 [0,1,0,0,0,0|2,0,0]=3 3765 B12R0.1 CCCC(C)COCCOCCO 7a_100000688023_100011215305 [0,1,0,0,0,0|2,0,0]=3 3766 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011216630_100000211819 [0,1,0,0,0,0|2,0,1]=4 3767 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011219923_100011216630 [0,1,0,0,0,0|2,0,1]=4 3768 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [0,1,0,0,0,0|1,0,2]=4 3769 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [0,1,0,0,0,0|1,0,2]=4 3770 B12R0.1 CCCC(C)CSCCCCCF 62a_100000729378_100011216630 [0,1,0,0,0,0|2,0,0]=3 3771 B12R0.1 CCCC(C)CSCCCCCF 62a_100011216630_100000729378 [0,1,0,0,0,0|2,0,0]=3 3772 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,1,0,0,0,0|1,0,0]=2 3773 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,1,0,0,0,0|1,0,0]=2 3774 B12R0.1 CCCC(C)CSCCCCOC 62a_100000730899_100011216630 [0,1,0,0,0,0|3,0,0]=4 3775 B12R0.1 CCCC(C)CSCCCCOC 62a_100011216630_100000730899 [0,1,0,0,0,0|3,0,0]=4 3776 B12R0.1 CCCC(C)CSCCCOCC 62a_100011216630_100012232248 [0,1,0,0,0,0|3,0,0]=4 3777 B12R0.1 CCCC(C)CSCCCOCC 62a_100012232248_100011216630 [0,1,0,0,0,0|3,0,0]=4 3778 B12R0.1 CCCC(C)CSCCOCCO 62a_100011215305_100011216630 [0,1,0,0,0,0|2,0,0]=3 3779 B12R0.1 CCCC(C)CSCCOCCO 62a_100011216630_100011215305 [0,1,0,0,0,0|2,0,0]=3 3780 B12R0.1 CCCC(C)NCCCCCC#N 2230a_100000741246_100009813376 [0,1,0,0,0,0|2,0,1]=4 3781 B12R0.1 CCCC(C)NCCCCCC#N 270004a_100000061152_100000211909 [0,1,0,0,0,0|2,0,1]=4 3782 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [0,1,0,0,0,0|1,0,2]=4 3783 B12R0.1 CCCC(C)NCCCCCCF 2230a_100000741246_100015922095 [0,1,0,0,0,0|2,0,0]=3 3784 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,1,0,0,0,0|1,0,0]=2 3785 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,1,0,0,0,0|1,0,0]=2 3786 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,1,0,0,0,0|1,0,0]=2 3787 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,1,0,0,0,0|1,0,0]=2 3788 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [0,1,0,0,0,0|3,0,0]=4 3789 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [0,1,0,0,0,0|3,0,0]=4 3790 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [0,1,0,0,0,0|3,0,0]=4 3791 B12R0.1 CCCC(C)OCCCCCC#N 7a_100000764384_100009813376 [0,1,0,0,0,0|2,0,1]=4 3792 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,1,0,0,0,0|1,0,2]=4 3793 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,1,0,0,0,0|2,0,0]=3 3794 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,1,0,0,0,0|2,0,0]=3 3795 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,1,0,0,0,0|2,0,0]=3 3796 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,1,0,0,0,0|2,0,0]=3 3797 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,1,0,0,0,0|2,0,0]=3 3798 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,1,0,0,0,0|2,0,0]=3 3799 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,1,0,0,0,0|2,0,0]=3 3800 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,1,0,0,0,0|2,0,0]=3 3801 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,1,0,0,0,0|2,0,0]=3 3802 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,1,0,0,0,0|1,0,0]=2 3803 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,1,0,0,0,0|1,0,0]=2 3804 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,1,0,0,0,0|3,0,0]=4 3805 B12R0.1 CCCC(C)SCCCCCC#N 62a_100000766640_100009813376 [0,1,0,0,0,0|2,0,1]=4 3806 B12R0.1 CCCC(C)SCCCCCC#N 62a_100009813376_100000766640 [0,1,0,0,0,0|2,0,1]=4 3807 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [0,1,0,0,0,0|1,0,2]=4 3808 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [0,1,0,0,0,0|1,0,2]=4 3809 B12R0.1 CCCC(C)SCCCCCCF 62a_100000766640_100015922095 [0,1,0,0,0,0|2,0,0]=3 3810 B12R0.1 CCCC(C)SCCCCCCF 62a_100015922095_100000766640 [0,1,0,0,0,0|2,0,0]=3 3811 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,1,0,0,0,0|1,0,0]=2 3812 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,1,0,0,0,0|1,0,0]=2 3813 B12R0.1 CCCC/C=C/COC(C)CCO 34a_200016272032_100009893172 [0,1,0,0,0,0|1,0,2]=4 3814 B12R0.1 CCCC/C=C/COC(C)CCO 7a_200016272032_100009893172 [0,1,0,0,0,0|1,0,2]=4 3815 B12R0.1 CCCCC#CCOC(C)CCO 34a_200000034558_100009893172 [0,1,0,0,0,0|1,0,2]=4 3816 B12R0.1 CCCCC#CCOC(C)CCO 7a_200000034558_100009893172 [0,1,0,0,0,0|1,0,2]=4 3817 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,1,0,0,0,0|0,0,3]=4 3818 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,1,0,0,0,0|0,0,3]=4 3819 B12R0.1 CCCCCC#CCN(C)CCO 2230a_100000210263_100009816472 [0,1,0,0,0,0|1,0,2]=4 3820 B12R0.1 CCCCCC#CCN(C)CCO 269982a_100000210263_100009816472 [0,1,0,0,0,0|1,0,2]=4 3821 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,0,0,0,0|0,0,3]=4 3822 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,1,0,0,0,0|1,0,2]=4 3823 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,1,0,0,0,0|1,0,2]=4 3824 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,1]=3 3825 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,1]=3 3826 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,1,0,0,0,0|1,0,1]=3 3827 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,0,0,0,0|0,0,1]=2 3828 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,0,0,0,0|0,0,1]=2 3829 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,1,0,0,0,0|2,0,1]=4 3830 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,1,0,0,0,0|2,0,1]=4 3831 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,1,0,0,0,0|2,0,1]=4 3832 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,1,0,0,0,0|2,0,1]=4 3833 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,1,0,0,0,0|2,0,1]=4 3834 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,1,0,0,0,0|2,0,0]=3 3835 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,1,0,0,0,0|2,0,0]=3 3836 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,1,0,0,0,0|2,0,0]=3 3837 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,1,0,0,0,0|2,0,0]=3 3838 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,1,0,0,0,0|2,0,0]=3 3839 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,1,0,0,0,0|2,0,0]=3 3840 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,1,0,0,0,0|2,0,0]=3 3841 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,1,0,0,0,0|2,0,0]=3 3842 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,1,0,0,0,0|2,0,0]=3 3843 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,1,0,0,0,0|2,0,0]=3 3844 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000207567_100011215382 [0,1,0,0,0,0|2,0,1]=4 3845 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000748184_100000210759 [0,1,0,0,0,0|2,0,1]=4 3846 B12R0.1 CCCCCCCCN(C)CC#N 269982a_100000207567_100011214920 [0,1,0,0,0,0|2,0,1]=4 3847 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,1,0,0,0,0|1,0,2]=4 3848 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,1,0,0,0,0|1,0,2]=4 3849 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,1,0,0,0,0|2,0,0]=3 3850 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,1,0,0,0,0|2,0,0]=3 3851 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,1,0,0,0,0|2,0,0]=3 3852 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,1,0,0,0,0|2,0,0]=3 3853 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,1,0,0,0,0|2,0,0]=3 3854 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,1,0,0,0,0|2,0,0]=3 3855 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,1,0,0,0,0|1,0,0]=2 3856 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,1,0,0,0,0|1,0,0]=2 3857 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,1,0,0,0,0|1,0,0]=2 3858 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,1,0,0,0,0|1,0,0]=2 3859 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,1,0,0,0,0|3,0,0]=4 3860 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,1,0,0,0,0|3,0,0]=4 3861 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,1,0,0,0,0|3,0,0]=4 3862 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,1,0,0,0,0|3,0,0]=4 3863 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 3864 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 3865 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 3866 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 3867 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,1,0,0,0,0|1,0,1]=3 3868 B12R0.1 CCCCCCCNC(C)CC#N 2230a_100000229938_100009813641 [0,1,0,0,0,0|2,0,1]=4 3869 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,1,0,0,0,0|2,0,0]=3 3870 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,1,0,0,0,0|2,0,0]=3 3871 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,1,0,0,0,0|2,0,0]=3 3872 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,1,0,0,0,0|1,0,0]=2 3873 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,1,0,0,0,0|3,0,0]=4 3874 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,1,0,0,0,0|3,0,0]=4 3875 B12R0.1 CCCCCCCNC(C)CSC 270004a_100000229938_100011216314 [0,1,0,0,0,0|3,0,0]=4 3876 B12R0.1 CCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210681 [0,1,0,0,0,0|2,0,1]=4 3877 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,1,0,0,0,0|1,0,0]=2 3878 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,1,0,0,0,0|1,0,0]=2 3879 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,1,0,0,0,0|3,0,0]=4 3880 B12R0.1 CCCCCCCOC(C)CC#N 7a_100000210272_100009813641 [0,1,0,0,0,0|2,0,1]=4 3881 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,1,0,0,0,0|2,0,0]=3 3882 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,1,0,0,0,0|2,0,0]=3 3883 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,1,0,0,0,0|2,0,0]=3 3884 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,1,0,0,0,0|2,0,0]=3 3885 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,1,0,0,0,0|2,0,0]=3 3886 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,1,0,0,0,0|1,0,0]=2 3887 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,1,0,0,0,0|1,0,0]=2 3888 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,1,0,0,0,0|3,0,0]=4 3889 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,1,0,0,0,0|3,0,0]=4 3890 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,1,0,0,0,0|3,0,0]=4 3891 B12R0.1 CCCCCCCSC(C)CC#N 62a_100000210614_100009813641 [0,1,0,0,0,0|2,0,1]=4 3892 B12R0.1 CCCCCCCSC(C)CC#N 62a_100009813641_100000210316 [0,1,0,0,0,0|2,0,1]=4 3893 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,1,0,0,0,0|2,0,0]=3 3894 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,1,0,0,0,0|2,0,0]=3 3895 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,1,0,0,0,0|1,0,0]=2 3896 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,1,0,0,0,0|1,0,0]=2 3897 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,1,0,0,0,0|3,0,0]=4 3898 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,1,0,0,0,0|3,0,0]=4 3899 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,0,0,0,0|2,0,1]=4 3900 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,1,0,0,0,0|2,0,1]=4 3901 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,1,0,0,0,0|2,0,0]=3 3902 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,1,0,0,0,0|2,0,0]=3 3903 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,1,0,0,0,0|3,0,0]=4 3904 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,1,0,0,0,0|3,0,0]=4 3905 B12R0.1 CCCCCCNC[C@@H](O)CC#N 2230a_100000210581_100000001066 [0,1,0,0,0,0|2,0,1]=4 3906 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,0,0,0,0|2,0,1]=4 3907 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,1,0,0,0,0|2,0,1]=4 3908 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,1,0,0,0,0|2,0,1]=4 3909 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,1,0,0,0,0|2,0,0]=3 3910 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,1,0,0,0,0|2,0,0]=3 3911 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,1,0,0,0,0|2,0,0]=3 3912 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,1,0,0,0,0|2,0,0]=3 3913 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [0,1,0,0,0,0|2,0,0]=3 3914 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,1,0,0,0,0|3,0,0]=4 3915 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,1,0,0,0,0|3,0,0]=4 3916 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,1,0,0,0,0|3,0,0]=4 3917 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,1,0,0,0,0|2,0,0]=3 3918 B12R0.1 CCCCCCOC[C@@H](O)CC#N 7a_100000210259_100000001066 [0,1,0,0,0,0|2,0,1]=4 3919 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,0,0,0,0|2,0,1]=4 3920 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,0,0,0,0|2,0,1]=4 3921 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,1,0,0,0,0|2,0,1]=4 3922 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,1,0,0,0,0|2,0,1]=4 3923 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,1,0,0,0,0|2,0,0]=3 3924 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,1,0,0,0,0|2,0,0]=3 3925 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,1,0,0,0,0|3,0,0]=4 3926 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,1,0,0,0,0|3,0,0]=4 3927 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210757 [0,1,0,0,0,0|2,0,1]=4 3928 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000210314_100000001066 [0,1,0,0,0,0|2,0,1]=4 3929 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,1,0,0,0,0|2,0,0]=3 3930 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,1,0,0,0,0|2,0,0]=3 3931 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,1,0,0,0,0|2,0,0]=3 3932 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,1,0,0,0,0|2,0,0]=3 3933 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,1,0,0,0,0|2,0,0]=3 3934 B12R0.1 CCCCOCCNC(C)CCC 2230a_100000741246_100000743108 [0,1,0,0,0,0|3,0,0]=4 3935 B12R0.1 CCCCOCCN[C@H](C)CCO 2230a_100000706166_100000743108 [0,1,0,0,0,0|2,0,0]=3 3936 B12R0.1 CCCCOCCN[C@H](C)CCO 34a_100000706166_100000743108 [0,1,0,0,0,0|2,0,0]=3 3937 B12R0.1 CCCCOCCOC(C)CCBr 34a_100012276601_100000743108 [0,1,0,0,0,0|3,0,0]=4 3938 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,1,0,0,0,0|3,0,0]=4 3939 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,1,0,0,0,0|3,0,0]=4 3940 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,1,0,0,0,0|3,0,0]=4 3941 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,1,0,0,0,0|3,0,0]=4 3942 B12R0.1 CCCCOCCOC(C)CCO 34a_100000210238_100009893172 [0,1,0,0,0,0|2,0,0]=3 3943 B12R0.1 CCCCOCCOC(C)CCO 7a_100000210238_100009893172 [0,1,0,0,0,0|2,0,0]=3 3944 B12R0.1 CCCCOCCSC(C)CCC 62a_100000743108_100000766640 [0,1,0,0,0,0|3,0,0]=4 3945 B12R0.1 CCCCOCCSC(C)CCC 62a_100000766640_100000743108 [0,1,0,0,0,0|3,0,0]=4 3946 B12R0.1 CCCCOCCSC(C)CCO 62a_100000743108_100009893172 [0,1,0,0,0,0|2,0,0]=3 3947 B12R0.1 CCCCOCCSC(C)CCO 62a_100009893172_100000743108 [0,1,0,0,0,0|2,0,0]=3 3948 B12R0.1 CCCCOCOCC(C)CCC 34a_100000688023_100011995733 [0,1,0,0,0,0|3,0,0]=4 3949 B12R0.1 CCCCOCOCC(C)CCN 34a_106354213184_100011995733 [0,1,0,0,0,0|3,0,0]=4 3950 B12R0.1 CCCCOCOC[C@@H](N)CCC 34a_100000732646_100011995733 [0,1,0,0,0,0|3,0,0]=4 3951 B12R0.1 CCCCOCSCC(C)CCC 62a_100011216630_100011995733 [0,1,0,0,0,0|3,0,0]=4 3952 B12R0.1 CCCCOCSCC(C)CCC 62a_100011995733_100011216630 [0,1,0,0,0,0|3,0,0]=4 3953 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,1,0,0,0,0|2,0,1]=4 3954 B12R0.1 CCCCSCCNC(C)CCC 2230a_100025743550_100000766640 [0,1,0,0,0,0|3,0,0]=4 3955 B12R0.1 CCCCSCCNC(C)CCC 270004a_100025743550_100000211909 [0,1,0,0,0,0|3,0,0]=4 3956 B12R0.1 CCCCSCCNC(C)CCO 2230a_100025743550_100009893172 [0,1,0,0,0,0|2,0,0]=3 3957 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,1,0,0,0,0|3,0,0]=4 3958 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,1,0,0,0,0|3,0,0]=4 3959 B12R0.1 CCCCSCCOC(C)CCO 34a_200000230436_100009893172 [0,1,0,0,0,0|2,0,0]=3 3960 B12R0.1 CCCCSCCOC(C)CCO 7a_200000230436_100009893172 [0,1,0,0,0,0|2,0,0]=3 3961 B12R0.1 CCCN(C)CCCCCCC#N 2230a_100000747261_100009813337 [0,1,0,0,0,0|2,0,1]=4 3962 B12R0.1 CCCN(C)CCCCCCC#N 269982a_100000747261_100009813337 [0,1,0,0,0,0|2,0,1]=4 3963 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,1,0,0,0,0|1,0,0]=2 3964 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,1,0,0,0,0|1,0,0]=2 3965 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,1,0,0,0,0|3,0,0]=4 3966 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,1,0,0,0,0|3,0,0]=4 3967 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,1,0,0,0,0|2,0,1]=4 3968 B12R0.1 CCCOCCCNC(C)CCC 2230a_100011217757_100000766640 [0,1,0,0,0,0|3,0,0]=4 3969 B12R0.1 CCCOCCCNC(C)CCC 270004a_100011217757_100000211909 [0,1,0,0,0,0|3,0,0]=4 3970 B12R0.1 CCCOCCCNC(C)CCC 34a_100011217757_100000766640 [0,1,0,0,0,0|3,0,0]=4 3971 B12R0.1 CCCOCCCNC(C)CCO 2230a_100011217757_100009893172 [0,1,0,0,0,0|2,0,0]=3 3972 B12R0.1 CCCOCCCNC(C)CCO 34a_100011217757_100009893172 [0,1,0,0,0,0|2,0,0]=3 3973 B12R0.1 CCCOCCNCC(C)CCC 2230a_100161115042_100011216630 [0,1,0,0,0,0|3,0,0]=4 3974 B12R0.1 CCCOCCNCC(C)CCC 270004a_100161115042_100000243154 [0,1,0,0,0,0|3,0,0]=4 3975 B12R0.1 CCCOCCNCC(C)CCC 34a_100161115042_100011216630 [0,1,0,0,0,0|3,0,0]=4 3976 B12R0.1 CCCOCCOCC(C)CCC 34a_100000688023_100011215938 [0,1,0,0,0,0|3,0,0]=4 3977 B12R0.1 CCCOCCOCC(C)CCC 34a_100000752267_100011216630 [0,1,0,0,0,0|3,0,0]=4 3978 B12R0.1 CCCOCCOCC(C)CCC 7a_100000688023_100011215938 [0,1,0,0,0,0|3,0,0]=4 3979 B12R0.1 CCCOCCOCC(C)CCC 7a_100000752267_100011216630 [0,1,0,0,0,0|3,0,0]=4 3980 B12R0.1 CCCOCCOCC(C)CCN 34a_106354213184_100011215938 [0,1,0,0,0,0|3,0,0]=4 3981 B12R0.1 CCCOCCOC[C@@H](N)CCC 34a_100000732646_100011215938 [0,1,0,0,0,0|3,0,0]=4 3982 B12R0.1 CCCOCCSCC(C)CCC 62a_100011215938_100011216630 [0,1,0,0,0,0|3,0,0]=4 3983 B12R0.1 CCCOCCSCC(C)CCC 62a_100011216630_100011215938 [0,1,0,0,0,0|3,0,0]=4 3984 B12R0.1 CCCSCCNCC(C)CCC 2230a_100020603323_100011216630 [0,1,0,0,0,0|3,0,0]=4 3985 B12R0.1 CCCSCCNCC(C)CCC 270004a_100020603323_100000243154 [0,1,0,0,0,0|3,0,0]=4 3986 B12R0.1 CCCSCCOCC(C)CCC 34a_200000230433_100011216630 [0,1,0,0,0,0|3,0,0]=4 3987 B12R0.1 CCCSCCOCC(C)CCC 7a_200000230433_100011216630 [0,1,0,0,0,0|3,0,0]=4 3988 B12R0.1 CCC[C@H](N)CCOCC#CCO 34a_100015193777_200000047223 [0,1,0,0,0,0|1,0,2]=4 3989 B12R0.1 CCC[C@H](N)CCOCCCCF 34a_100015193777_100000729493 [0,1,0,0,0,0|2,0,0]=3 3990 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,1,0,0,0,0|1,0,0]=2 3991 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [0,1,0,0,0,0|3,0,0]=4 3992 B12R0.1 CCC[C@H](N)CCOCCOCC 34a_100015193777_100000210147 [0,1,0,0,0,0|3,0,0]=4 3993 B12R0.1 CCC[C@H](N)CCOCCSCC 34a_100015193777_100000757381 [0,1,0,0,0,0|3,0,0]=4 3994 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [0,1,0,0,0,0|2,0,0]=3 3995 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,1,0,0,0,0|1,0,0]=2 3996 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [0,1,0,0,0,0|3,0,0]=4 3997 B12R0.1 CCC[C@H](N)COCCCOCC 34a_100000732646_100012232248 [0,1,0,0,0,0|3,0,0]=4 3998 B12R0.1 CCC[C@H](N)COCCOCCO 34a_100000732646_100000692535 [0,1,0,0,0,0|2,0,0]=3 3999 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,1,0,0,0,0|1,0,1]=3 4000 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,1,0,0,0,0|2,0,1]=4 4001 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,1,0,0,0,0|2,0,1]=4 4002 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,1,0,0,0,0|2,0,1]=4 4003 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,1,0,0,0,0|2,0,1]=4 4004 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,1,0,0,0,0|2,0,1]=4 4005 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,1,0,0,0,0|2,0,1]=4 4006 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,1,0,0,0,0|2,0,1]=4 4007 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,1,0,0,0,0|2,0,1]=4 4008 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,1,0,0,0,0|2,0,1]=4 4009 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,1,0,0,0,0|2,0,1]=4 4010 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,1,0,0,0,0|2,0,1]=4 4011 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,1,0,0,0,0|2,0,1]=4 4012 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,1,0,0,0,0|2,0,1]=4 4013 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,1,0,0,0,0|2,0,1]=4 4014 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,1,0,0,0,0|2,0,1]=4 4015 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,1,0,0,0,0|2,0,1]=4 4016 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,1,0,0,0,0|2,0,1]=4 4017 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,1,0,0,0,0|2,0,1]=4 4018 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,1,0,0,0,0|2,0,1]=4 4019 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,1,0,0,0,0|2,0,1]=4 4020 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,1,0,0,0,0|2,0,1]=4 4021 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,1,0,0,0,0|2,0,1]=4 4022 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,1,0,0,0,0|2,0,1]=4 4023 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,1,0,0,0,0|2,0,1]=4 4024 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,1,0,0,0,0|2,0,1]=4 4025 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,1,0,0,0,0|2,0,1]=4 4026 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,1,0,0,0,0|2,0,1]=4 4027 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,1,0,0,0,0|2,0,1]=4 4028 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,1,0,0,0,0|2,0,1]=4 4029 B12R0.1 CCOCCCOCC(C)CCN 34a_106354213184_100012232248 [0,1,0,0,0,0|3,0,0]=4 4030 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,1,0,0,0,0|2,0,1]=4 4031 B12R0.1 CCOCCOCCN(C)CCO 2230a_100000210263_100011211534 [0,1,0,0,0,0|3,0,0]=4 4032 B12R0.1 CCOCCOCCN(C)CCO 269982a_100000210263_100011211534 [0,1,0,0,0,0|3,0,0]=4 4033 B12R0.1 CN(CC#N)CCCCCCCO 2230a_100000748184_100000760002 [0,1,0,0,0,0|2,0,1]=4 4034 B12R0.1 CN(CCO)CCCCCCC#N 2230a_100000210263_100009813337 [0,1,0,0,0,0|2,0,1]=4 4035 B12R0.1 CN(CCO)CCCCCCC#N 269982a_100000210263_100009813337 [0,1,0,0,0,0|2,0,1]=4 4036 B12R0.1 CN(CCO)CCCCCCCO 2230a_100000210263_100000760002 [0,1,0,0,0,0|2,0,0]=3 4037 B12R0.1 CN(CCO)CCCCCCCO 269982a_100000210263_100000760002 [0,1,0,0,0,0|2,0,0]=3 4038 B12R0.1 CNCCCCCOC(C)CCO 34a_100000722520_100009893172 [0,1,0,0,0,0|2,0,0]=3 4039 B12R0.1 CNCCOCCOC(C)CCO 34a_100000228057_100009893172 [0,1,0,0,0,0|3,0,0]=4 4040 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,1,0,0,0,0|2,0,1]=4 4041 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,1,0,0,0,0|1,0,1]=3 4042 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,1,0,0,0,0|2,0,1]=4 4043 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,1,0,0,0,0|2,0,1]=4 4044 B12R0.1 COCC(C)NCCCCCCO 2230a_100000686447_100000765312 [0,1,0,0,0,0|2,0,0]=3 4045 B12R0.1 COCC(C)NCCCCCCO 270004a_100000686447_100000749346 [0,1,0,0,0,0|2,0,0]=3 4046 B12R0.1 COCC(C)NCCCCCCO 34a_100000686447_100000765312 [0,1,0,0,0,0|2,0,0]=3 4047 B12R0.1 COCC(C)OCCCCCCBr 34a_100011215345_100000765312 [0,1,0,0,0,0|3,0,0]=4 4048 B12R0.1 COCC(C)OCCCCCCBr 7a_100011215345_100000765312 [0,1,0,0,0,0|3,0,0]=4 4049 B12R0.1 COCC(C)OCCCCCCCl 34a_100000766143_100000765312 [0,1,0,0,0,0|3,0,0]=4 4050 B12R0.1 COCC(C)OCCCCCCCl 7a_100000766143_100000765312 [0,1,0,0,0,0|3,0,0]=4 4051 B12R0.1 COCC(C)OCCCCCCF 34a_100000732779_100000765312 [0,1,0,0,0,0|3,0,0]=4 4052 B12R0.1 COCC(C)OCCCCCCF 7a_100000732779_100000765312 [0,1,0,0,0,0|3,0,0]=4 4053 B12R0.1 COCC(C)OCCCCCCN 34a_100000686447_100000765312 [0,1,0,0,0,0|3,0,0]=4 4054 B12R0.1 COCC(C)SCCCCCCF 62a_100000765312_100015922095 [0,1,0,0,0,0|3,0,0]=4 4055 B12R0.1 COCC(C)SCCCCCCF 62a_100015922095_100000765312 [0,1,0,0,0,0|3,0,0]=4 4056 B12R0.1 COCC(C)SCCCCCCO 62a_100000765312_100000766143 [0,1,0,0,0,0|2,0,0]=3 4057 B12R0.1 COCC(C)SCCCCCCO 62a_100000766143_100000765312 [0,1,0,0,0,0|2,0,0]=3 4058 B12R0.1 COCC(N)COCCCCCF 34a_100000724102_100000729378 [0,1,0,0,0,0|3,0,0]=4 4059 B12R0.1 COCC(N)COCCCCCO 34a_100000724102_100000746330 [0,1,0,0,0,0|2,0,0]=3 4060 B12R0.1 COCC(N)COCCOCCO 34a_100000724102_100000692535 [0,1,0,0,0,0|3,0,0]=4 4061 B12R0.1 COCC(O)CNCCCCCF 2230a_100000756049_100000729378 [0,1,0,0,0,0|3,0,0]=4 4062 B12R0.1 COCC(O)CNCCCCCF 34a_100000756049_100000729378 [0,1,0,0,0,0|3,0,0]=4 4063 B12R0.1 COCC(O)CNCCCCCO 2230a_100000756049_100000746330 [0,1,0,0,0,0|2,0,0]=3 4064 B12R0.1 COCC(O)CNCCCCCO 34a_100000756049_100000746330 [0,1,0,0,0,0|2,0,0]=3 4065 B12R0.1 COCC(O)CNCCCCCO 34a_100000762737_100011215053 [0,1,0,0,0,0|2,0,0]=3 4066 B12R0.1 COCC(O)CNCCOCCO 2230a_100000756049_100011215305 [0,1,0,0,0,0|3,0,0]=4 4067 B12R0.1 COCC(O)CNCCOCCO 34a_100000211614_100011215053 [0,1,0,0,0,0|3,0,0]=4 4068 B12R0.1 COCC(O)CNCCOCCO 34a_100000756049_100000692535 [0,1,0,0,0,0|3,0,0]=4 4069 B12R0.1 COCC(O)COCCCCCBr 34a_100000746331_100011215053 [0,1,0,0,0,0|3,0,0]=4 4070 B12R0.1 COCC(O)COCCCCCBr 7a_100000746331_100011215053 [0,1,0,0,0,0|3,0,0]=4 4071 B12R0.1 COCC(O)COCCCCCCl 34a_100000746330_100011215053 [0,1,0,0,0,0|3,0,0]=4 4072 B12R0.1 COCC(O)COCCCCCCl 7a_100000746330_100011215053 [0,1,0,0,0,0|3,0,0]=4 4073 B12R0.1 COCC(O)COCCCCCI 34a_200012148887_100011215053 [0,1,0,0,0,0|3,0,0]=4 4074 B12R0.1 COCC(O)COCCCCCI 7a_200012148887_100011215053 [0,1,0,0,0,0|3,0,0]=4 4075 B12R0.1 COCC(O)COCCCCCN 34a_100000762737_100011215053 [0,1,0,0,0,0|3,0,0]=4 4076 B12R0.1 COCC(O)CSCCCCCF 62a_100000729378_100011215053 [0,1,0,0,0,0|3,0,0]=4 4077 B12R0.1 COCC(O)CSCCCCCF 62a_100011215053_100000729378 [0,1,0,0,0,0|3,0,0]=4 4078 B12R0.1 COCC(O)CSCCCCCO 62a_100000746330_100011215053 [0,1,0,0,0,0|2,0,0]=3 4079 B12R0.1 COCC(O)CSCCCCCO 62a_100011215053_100000746330 [0,1,0,0,0,0|2,0,0]=3 4080 B12R0.1 COCC(O)CSCCOCCO 62a_100011215053_100011215305 [0,1,0,0,0,0|3,0,0]=4 4081 B12R0.1 COCC(O)CSCCOCCO 62a_100011215305_100011215053 [0,1,0,0,0,0|3,0,0]=4 4082 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,1,0,0,0,0|1,0,1]=3 4083 B12R0.1 COCCCCCCN(C)CCO 2230a_100000210263_100011998445 [0,1,0,0,0,0|2,0,0]=3 4084 B12R0.1 COCCCCCCN(C)CCO 269982a_100000210263_100011998445 [0,1,0,0,0,0|2,0,0]=3 4085 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,1,0,0,0,0|2,0,1]=4 4086 B12R0.1 COCCCCCNC(C)CCO 2230a_100000747528_100009893172 [0,1,0,0,0,0|2,0,0]=3 4087 B12R0.1 COCCCCCNC(C)CCO 34a_100000747528_100009893172 [0,1,0,0,0,0|2,0,0]=3 4088 B12R0.1 COCCCCOCC(C)CCN 34a_106354213184_100000755781 [0,1,0,0,0,0|3,0,0]=4 4089 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,1,0,0,0,0|2,0,1]=4 4090 B12R0.1 COCCOCCCN(C)CCO 2230a_100000210263_100011216529 [0,1,0,0,0,0|3,0,0]=4 4091 B12R0.1 COCCOCCCN(C)CCO 269982a_100000210263_100011216529 [0,1,0,0,0,0|3,0,0]=4 4092 B12R0.1 COCCOCCNC(C)CCO 2230a_100000745349_100009893172 [0,1,0,0,0,0|3,0,0]=4 4093 B12R0.1 COCCOCCNC(C)CCO 34a_100000745349_100009893172 [0,1,0,0,0,0|3,0,0]=4 4094 B12R0.1 COCCOCCN[C@H](C)CCO 2230a_100000706166_100000695917 [0,1,0,0,0,0|3,0,0]=4 4095 B12R0.1 COCCOCCN[C@H](C)CCO 34a_100000706166_100000695917 [0,1,0,0,0,0|3,0,0]=4 4096 B12R0.1 COCCOCCOC(C)CCO 34a_100011215163_100009893172 [0,1,0,0,0,0|3,0,0]=4 4097 B12R0.1 COCCOCCOC(C)CCO 7a_100011215163_100009893172 [0,1,0,0,0,0|3,0,0]=4 4098 B12R0.1 COCCOCCSC(C)CCO 62a_100000695917_100009893172 [0,1,0,0,0,0|3,0,0]=4 4099 B12R0.1 COCCOCCSC(C)CCO 62a_100009893172_100000695917 [0,1,0,0,0,0|3,0,0]=4 4100 B12R0.1 COC[C@@H](C)NCCCCCCF 2230a_100000764878_100015922095 [0,1,0,0,0,0|3,0,0]=4 4101 B12R0.1 COC[C@@H](C)NCCCCCCO 2230a_100000764878_100000766143 [0,1,0,0,0,0|2,0,0]=3 4102 B12R0.1 COC[C@@H](C)OCCCCCCF 34a_100011934205_100015922095 [0,1,0,0,0,0|3,0,0]=4 4103 B12R0.1 COC[C@@H](C)OCCCCCCO 34a_100011934205_100000766143 [0,1,0,0,0,0|2,0,0]=3 4104 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,1,0,0,0,0|1,0,1]=3 4105 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,1,0,0,0,0|2,0,1]=4 4106 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,1,0,0,0,0|2,0,1]=4 4107 B12R0.1 CSCC(C)NCCCCCCO 270004a_100000686447_100011216314 [0,1,0,0,0,0|2,0,0]=3 4108 B12R0.1 C[C@@H](CC#N)NCCCCCCO 2230a_100016994482_100000766143 [0,1,0,0,0,0|2,0,1]=4 4109 B12R0.1 C[C@H](CCO)NCCCCCC#N 2230a_100000706166_100009813376 [0,1,0,0,0,0|2,0,1]=4 4110 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [0,1,0,0,0,0|2,0,1]=4 4111 B12R0.1 C[C@H](CCO)NCCCCCCF 2230a_100000706166_100015922095 [0,1,0,0,0,0|2,0,0]=3 4112 B12R0.1 C[C@H](CCO)NCCCCCCF 34a_100000706166_100015922095 [0,1,0,0,0,0|2,0,0]=3 4113 B12R0.1 C[C@H](CCO)NCCCCCCO 2230a_100000706166_100000766143 [0,1,0,0,0,0|2,0,0]=3 4114 B12R0.1 C[C@H](CCO)NCCCCCCO 34a_100000706166_100000766143 [0,1,0,0,0,0|2,0,0]=3 4115 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,1,0,0,0,0|1,0,2]=4 4116 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,1,0,0,0,0|1,0,2]=4 4117 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,1,0,0,0,0|1,0,2]=4 4118 B12R0.1 N#CC[C@H](O)CNCCCCCO 2230a_100000762737_100000001066 [0,1,0,0,0,0|2,0,1]=4 4119 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000001066_100000746330 [0,1,0,0,0,0|2,0,1]=4 4120 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000746330_100000001066 [0,1,0,0,0,0|2,0,1]=4 4121 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,1,0,0,0,0|1,0,1]=3 4122 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,1,0,0,0,0|1,0,1]=3 4123 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,1,0,0,0,0|1,0,1]=3 4124 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,1,0,0,0,0|2,0,1]=4 4125 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,1,0,0,0,0|0,0,2]=3 4126 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,1,0,0,0,0|0,0,2]=3 4127 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,1,0,0,0,0|0,0,2]=3 4128 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,1,0,0,0,0|0,0,2]=3 4129 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,1,0,0,0,0|1,0,1]=3 4130 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,1,0,0,0,0|1,0,1]=3 4131 B12R0.5 C#CCCCCCCCCOCF 34a_100000065265_100015361967 [0,1,0,0,0,0|1,0,2]=4 4132 B12R0.5 C#CCCCCCCCCOCF 7a_100000065265_100015361967 [0,1,0,0,0,0|1,0,2]=4 4133 B12R0.5 C#CCCCCCCCNCCF 34a_100000724931_100153394163 [0,1,0,0,0,0|1,0,2]=4 4134 B12R0.5 C#CCCCCCCCNCCO 2230a_100016997473_100153394163 [0,1,0,0,0,0|0,0,2]=3 4135 B12R0.5 C#CCCCCCCCNCCO 34a_100016990907_100153394163 [0,1,0,0,0,0|0,0,2]=3 4136 B12R0.5 C#CCCCCCCCOCCBr 34a_100000211926_100153394163 [0,1,0,0,0,0|1,0,2]=4 4137 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,1,0,0,0,0|1,0,1]=3 4138 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,1,0,0,0,0|1,0,1]=3 4139 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,1,0,0,0,0|1,0,1]=3 4140 B12R0.5 C#CCCCCCCCOCCF 34a_100000054614_100011217306 [0,1,0,0,0,0|1,0,2]=4 4141 B12R0.5 C#CCCCCCCCOCCF 7a_100000054614_100011217306 [0,1,0,0,0,0|1,0,2]=4 4142 B12R0.5 C#CCCCCCCCOCCN 34a_100000210304_100153394163 [0,1,0,0,0,0|1,0,2]=4 4143 B12R0.5 C#CCCCCCCCOCCO 34a_100000054614_100000211926 [0,1,0,0,0,0|0,0,2]=3 4144 B12R0.5 C#CCCCCCCCOCCO 7a_100000054614_100000211926 [0,1,0,0,0,0|0,0,2]=3 4145 B12R0.5 C#CCCCCCCCOCSC 34a_100000054614_100011218213 [0,1,0,0,0,0|2,0,1]=4 4146 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,1,0,0,0,0|1,0,1]=3 4147 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,1,0,0,0,0|1,0,1]=3 4148 B12R0.5 C#CCCCCCCCSCCF 62a_100011217306_100153394163 [0,1,0,0,0,0|1,0,2]=4 4149 B12R0.5 C#CCCCCCCCSCCF 62a_100153394163_100011217306 [0,1,0,0,0,0|1,0,2]=4 4150 B12R0.5 C#CCCCCCCCSCCO 62a_100000211926_100153394163 [0,1,0,0,0,0|0,0,2]=3 4151 B12R0.5 C#CCCCCCCCSCCO 62a_100153394163_100000211926 [0,1,0,0,0,0|0,0,2]=3 4152 B12R0.5 C#CCCCCCCCSCOC 62a_100000766300_100153394163 [0,1,0,0,0,0|1,0,2]=4 4153 B12R0.5 C#CCCCCCCCSCOC 62a_100153394163_100000766300 [0,1,0,0,0,0|1,0,2]=4 4154 B12R0.5 C#CCCCCCCCSCSC 62a_100011218213_100153394163 [0,1,0,0,0,0|2,0,1]=4 4155 B12R0.5 C#CCCCCCCCSCSC 62a_100153394163_100011218213 [0,1,0,0,0,0|2,0,1]=4 4156 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,1,0,0,0,0|1,0,1]=3 4157 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,1,0,0,0,0|1,0,1]=3 4158 B12R0.5 C#CCCCCCCNCCCF 2230a_100015189416_100012276617 [0,1,0,0,0,0|1,0,2]=4 4159 B12R0.5 C#CCCCCCCNCCCF 34a_100015189416_100012276617 [0,1,0,0,0,0|1,0,2]=4 4160 B12R0.5 C#CCCCCCCNCCOC 2230a_100000209980_100012276617 [0,1,0,0,0,0|1,0,2]=4 4161 B12R0.5 C#CCCCCCCNCCSC 2230a_100020590264_100012276617 [0,1,0,0,0,0|2,0,1]=4 4162 B12R0.5 C#CCCCCCCOCCCBr 34a_100011217188_100012276617 [0,1,0,0,0,0|1,0,2]=4 4163 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,1,0,0,0,0|1,0,1]=3 4164 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,1,0,0,0,0|1,0,1]=3 4165 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,1,0,0,0,0|1,0,1]=3 4166 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,1,0,0,0,0|1,0,1]=3 4167 B12R0.5 C#CCCCCCCOCCCCl 34a_100000230001_100012276617 [0,1,0,0,0,0|1,0,2]=4 4168 B12R0.5 C#CCCCCCCOCCCF 34a_100000759539_100012276617 [0,1,0,0,0,0|1,0,2]=4 4169 B12R0.5 C#CCCCCCCOCCCF 34a_100011217361_100011934791 [0,1,0,0,0,0|1,0,2]=4 4170 B12R0.5 C#CCCCCCCOCCCF 7a_100011217361_100011934791 [0,1,0,0,0,0|1,0,2]=4 4171 B12R0.5 C#CCCCCCCOCCCN 34a_100000182051_100012276617 [0,1,0,0,0,0|1,0,2]=4 4172 B12R0.5 C#CCCCCCCOCCCO 34a_100011217361_100000230001 [0,1,0,0,0,0|0,0,2]=3 4173 B12R0.5 C#CCCCCCCOCCCO 7a_100011217361_100011215043 [0,1,0,0,0,0|0,0,2]=3 4174 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,1,0,0,0,0|1,0,2]=4 4175 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,1,0,0,0,0|1,0,2]=4 4176 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,1,0,0,0,0|1,0,2]=4 4177 B12R0.5 C#CCCCCCCOCCON 34a_100000700252_100012276617 [0,1,0,0,0,0|1,0,2]=4 4178 B12R0.5 C#CCCCCCCOCCSC 34a_100000230434_100012276617 [0,1,0,0,0,0|2,0,1]=4 4179 B12R0.5 C#CCCCCCCOCCSC 34a_100011217361_100000212216 [0,1,0,0,0,0|2,0,1]=4 4180 B12R0.5 C#CCCCCCCOCCSC 7a_100000230434_100012276617 [0,1,0,0,0,0|2,0,1]=4 4181 B12R0.5 C#CCCCCCCOCCSC 7a_100011217361_100000212216 [0,1,0,0,0,0|2,0,1]=4 4182 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,1,0,0,0,0|1,0,1]=3 4183 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,1,0,0,0,0|1,0,1]=3 4184 B12R0.5 C#CCCCCCCSCCCF 62a_100011934791_100012276617 [0,1,0,0,0,0|1,0,2]=4 4185 B12R0.5 C#CCCCCCCSCCCF 62a_100012276617_100011934791 [0,1,0,0,0,0|1,0,2]=4 4186 B12R0.5 C#CCCCCCCSCCCO 62a_100011215043_100012276617 [0,1,0,0,0,0|0,0,2]=3 4187 B12R0.5 C#CCCCCCCSCCCO 62a_100012276617_100011215043 [0,1,0,0,0,0|0,0,2]=3 4188 B12R0.5 C#CCCCCCCSCCOC 62a_100000233755_100012276617 [0,1,0,0,0,0|1,0,2]=4 4189 B12R0.5 C#CCCCCCCSCCOC 62a_100012276617_100000233755 [0,1,0,0,0,0|1,0,2]=4 4190 B12R0.5 C#CCCCCCCSCCSC 62a_100000212216_100012276617 [0,1,0,0,0,0|2,0,1]=4 4191 B12R0.5 C#CCCCCCCSCCSC 62a_100012276617_100000751147 [0,1,0,0,0,0|2,0,1]=4 4192 B12R0.5 C#CCCCCCCSCOCC 62a_100000739092_100012276617 [0,1,0,0,0,0|2,0,1]=4 4193 B12R0.5 C#CCCCCCCSCOCC 62a_100012276617_100000739092 [0,1,0,0,0,0|2,0,1]=4 4194 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,1,0,0,0,0|1,0,1]=3 4195 B12R0.5 C#CCCCCCNCCCCO 2230a_100000750430_100012094781 [0,1,0,0,0,0|0,0,2]=3 4196 B12R0.5 C#CCCCCCNCCCCO 34a_100000750430_100012094781 [0,1,0,0,0,0|0,0,2]=3 4197 B12R0.5 C#CCCCCCNCCCOC 34a_100150723488_100012094781 [0,1,0,0,0,0|1,0,2]=4 4198 B12R0.5 C#CCCCCCNCCCSC 2230a_100000749238_100012094781 [0,1,0,0,0,0|2,0,1]=4 4199 B12R0.5 C#CCCCCCNCCOCC 2230a_102516460346_100012094781 [0,1,0,0,0,0|2,0,1]=4 4200 B12R0.5 C#CCCCCCNCCOCC 34a_102516460346_100012094781 [0,1,0,0,0,0|2,0,1]=4 4201 B12R0.5 C#CCCCCCNCCSCC 2230a_100000106463_100012094781 [0,1,0,0,0,0|2,0,1]=4 4202 B12R0.5 C#CCCCCCOCCCCBr 34a_100011216708_100012094781 [0,1,0,0,0,0|1,0,2]=4 4203 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,1,0,0,0,0|1,0,1]=3 4204 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,1,0,0,0,0|1,0,1]=3 4205 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,1,0,0,0,0|1,0,1]=3 4206 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,1,0,0,0,0|1,0,1]=3 4207 B12R0.5 C#CCCCCCOCCCCCl 34a_100000210776_100012094781 [0,1,0,0,0,0|1,0,2]=4 4208 B12R0.5 C#CCCCCCOCCCCCl 7a_100000210776_100012094781 [0,1,0,0,0,0|1,0,2]=4 4209 B12R0.5 C#CCCCCCOCCCCF 34a_100000766912_100000729493 [0,1,0,0,0,0|1,0,2]=4 4210 B12R0.5 C#CCCCCCOCCCCF 34a_100011995726_100012094781 [0,1,0,0,0,0|1,0,2]=4 4211 B12R0.5 C#CCCCCCOCCCCF 7a_100000766912_100000729493 [0,1,0,0,0,0|1,0,2]=4 4212 B12R0.5 C#CCCCCCOCCCCF 7a_100011995726_100012094781 [0,1,0,0,0,0|1,0,2]=4 4213 B12R0.5 C#CCCCCCOCCCCI 34a_200012148704_100012094781 [0,1,0,0,0,0|1,0,2]=4 4214 B12R0.5 C#CCCCCCOCCCCN 34a_100000750430_100012094781 [0,1,0,0,0,0|1,0,2]=4 4215 B12R0.5 C#CCCCCCOCCCCO 34a_100000766912_100011216708 [0,1,0,0,0,0|0,0,2]=3 4216 B12R0.5 C#CCCCCCOCCCCO 7a_100000766912_100000210776 [0,1,0,0,0,0|0,0,2]=3 4217 B12R0.5 C#CCCCCCOCCCNC 34a_100000213112_100012094781 [0,1,0,0,0,0|2,0,1]=4 4218 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,1,0,0,0,0|1,0,2]=4 4219 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,1,0,0,0,0|1,0,2]=4 4220 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,1,0,0,0,0|1,0,2]=4 4221 B12R0.5 C#CCCCCCOCCCSC 34a_100000690336_100012094781 [0,1,0,0,0,0|2,0,1]=4 4222 B12R0.5 C#CCCCCCOCCCSC 7a_100000690336_100012094781 [0,1,0,0,0,0|2,0,1]=4 4223 B12R0.5 C#CCCCCCOCCOCC 34a_100000210136_100012094781 [0,1,0,0,0,0|2,0,1]=4 4224 B12R0.5 C#CCCCCCOCCOCC 34a_100000766912_100000210147 [0,1,0,0,0,0|2,0,1]=4 4225 B12R0.5 C#CCCCCCOCCOCC 7a_100000210136_100012094781 [0,1,0,0,0,0|2,0,1]=4 4226 B12R0.5 C#CCCCCCOCCOCC 7a_100000766912_100011215890 [0,1,0,0,0,0|2,0,1]=4 4227 B12R0.5 C#CCCCCCOCCSCC 34a_100000212035_100012094781 [0,1,0,0,0,0|2,0,1]=4 4228 B12R0.5 C#CCCCCCOCCSCC 34a_100000766912_100000757381 [0,1,0,0,0,0|2,0,1]=4 4229 B12R0.5 C#CCCCCCOCCSCC 7a_100000212035_100012094781 [0,1,0,0,0,0|2,0,1]=4 4230 B12R0.5 C#CCCCCCOCCSCC 7a_100000766912_100000757381 [0,1,0,0,0,0|2,0,1]=4 4231 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,1,0,0,0,0|1,0,1]=3 4232 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,1,0,0,0,0|1,0,1]=3 4233 B12R0.5 C#CCCCCCSCCCCF 62a_100000729493_100012094781 [0,1,0,0,0,0|1,0,2]=4 4234 B12R0.5 C#CCCCCCSCCCCF 62a_100012094781_100000729493 [0,1,0,0,0,0|1,0,2]=4 4235 B12R0.5 C#CCCCCCSCCCCO 62a_100000210776_100012094781 [0,1,0,0,0,0|0,0,2]=3 4236 B12R0.5 C#CCCCCCSCCCCO 62a_100012094781_100000210776 [0,1,0,0,0,0|0,0,2]=3 4237 B12R0.5 C#CCCCCCSCCCOC 62a_100000709357_100012094781 [0,1,0,0,0,0|1,0,2]=4 4238 B12R0.5 C#CCCCCCSCCCOC 62a_100012094781_100000709357 [0,1,0,0,0,0|1,0,2]=4 4239 B12R0.5 C#CCCCCCSCCOCC 62a_100000210147_100012094781 [0,1,0,0,0,0|2,0,1]=4 4240 B12R0.5 C#CCCCCCSCCOCC 62a_100012094781_100011215890 [0,1,0,0,0,0|2,0,1]=4 4241 B12R0.5 C#CCCCCCSCCSCC 62a_100000757381_100012094781 [0,1,0,0,0,0|2,0,1]=4 4242 B12R0.5 C#CCCCCCSCCSCC 62a_100012094781_100000757381 [0,1,0,0,0,0|2,0,1]=4 4243 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,1,0,0,0,0|1,0,1]=3 4244 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,1,0,0,0,0|1,0,1]=3 4245 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,1,0,0,0,0|1,0,1]=3 4246 B12R0.5 C#CCCCCNCCCCCF 2230a_100000706060_100000729378 [0,1,0,0,0,0|1,0,2]=4 4247 B12R0.5 C#CCCCCNCCCCCF 34a_100000706060_100000729378 [0,1,0,0,0,0|1,0,2]=4 4248 B12R0.5 C#CCCCCNCCCCCO 2230a_100000706060_100000746330 [0,1,0,0,0,0|0,0,2]=3 4249 B12R0.5 C#CCCCCNCCCCCO 2230a_100000762737_100010269958 [0,1,0,0,0,0|0,0,2]=3 4250 B12R0.5 C#CCCCCNCCCCCO 34a_100000706060_100000746330 [0,1,0,0,0,0|0,0,2]=3 4251 B12R0.5 C#CCCCCNCCCCCO 34a_100000762737_100010269958 [0,1,0,0,0,0|0,0,2]=3 4252 B12R0.5 C#CCCCCNCCCCOC 2230a_100000706060_100000730899 [0,1,0,0,0,0|1,0,2]=4 4253 B12R0.5 C#CCCCCNCCCCOC 34a_100000706060_100000755781 [0,1,0,0,0,0|1,0,2]=4 4254 B12R0.5 C#CCCCCNCCCOCC 2230a_100000210961_100010269958 [0,1,0,0,0,0|2,0,1]=4 4255 B12R0.5 C#CCCCCNCCCOCC 2230a_100000706060_100012232248 [0,1,0,0,0,0|2,0,1]=4 4256 B12R0.5 C#CCCCCNCCCOCC 34a_100000210961_100010269958 [0,1,0,0,0,0|2,0,1]=4 4257 B12R0.5 C#CCCCCNCCCOCC 34a_100000706060_100012232248 [0,1,0,0,0,0|2,0,1]=4 4258 B12R0.5 C#CCCCCNCCOCCC 2230a_100000706060_100011215938 [0,1,0,0,0,0|2,0,1]=4 4259 B12R0.5 C#CCCCCNCCOCCC 2230a_100161115042_100010269958 [0,1,0,0,0,0|2,0,1]=4 4260 B12R0.5 C#CCCCCNCCOCCC 34a_100000706060_100011215938 [0,1,0,0,0,0|2,0,1]=4 4261 B12R0.5 C#CCCCCNCCOCCC 34a_100161115042_100010269958 [0,1,0,0,0,0|2,0,1]=4 4262 B12R0.5 C#CCCCCNCCOCCO 2230a_100000211614_100010269958 [0,1,0,0,0,0|1,0,2]=4 4263 B12R0.5 C#CCCCCNCCOCCO 2230a_100000706060_100011215305 [0,1,0,0,0,0|1,0,2]=4 4264 B12R0.5 C#CCCCCNCCOCCO 34a_100000211614_100010269958 [0,1,0,0,0,0|1,0,2]=4 4265 B12R0.5 C#CCCCCNCCOCCO 34a_100000706060_100000692535 [0,1,0,0,0,0|1,0,2]=4 4266 B12R0.5 C#CCCCCNCCSCCC 2230a_100020603323_100010269958 [0,1,0,0,0,0|2,0,1]=4 4267 B12R0.5 C#CCCCCNCCSCCO 2230a_100011219999_100010269958 [0,1,0,0,0,0|1,0,2]=4 4268 B12R0.5 C#CCCCCNCOCCCC 2230a_100000706060_100011995733 [0,1,0,0,0,0|2,0,1]=4 4269 B12R0.5 C#CCCCCNCOCCCC 34a_100000706060_100011995733 [0,1,0,0,0,0|2,0,1]=4 4270 B12R0.5 C#CCCCCOCCCCCBr 34a_100000746331_100010269958 [0,1,0,0,0,0|1,0,2]=4 4271 B12R0.5 C#CCCCCOCCCCCBr 7a_100000746331_100010269958 [0,1,0,0,0,0|1,0,2]=4 4272 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,1,0,0,0,0|1,0,1]=3 4273 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,1,0,0,0,0|1,0,1]=3 4274 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,1,0,0,0,0|1,0,1]=3 4275 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,1,0,0,0,0|1,0,1]=3 4276 B12R0.5 C#CCCCCOCCCCCCl 34a_100000746330_100010269958 [0,1,0,0,0,0|1,0,2]=4 4277 B12R0.5 C#CCCCCOCCCCCCl 7a_100000746330_100010269958 [0,1,0,0,0,0|1,0,2]=4 4278 B12R0.5 C#CCCCCOCCCCCF 34a_100000766709_100000729378 [0,1,0,0,0,0|1,0,2]=4 4279 B12R0.5 C#CCCCCOCCCCCF 7a_100000766709_100000729378 [0,1,0,0,0,0|1,0,2]=4 4280 B12R0.5 C#CCCCCOCCCCCI 34a_200012148887_100010269958 [0,1,0,0,0,0|1,0,2]=4 4281 B12R0.5 C#CCCCCOCCCCCI 7a_200012148887_100010269958 [0,1,0,0,0,0|1,0,2]=4 4282 B12R0.5 C#CCCCCOCCCCCN 34a_100000762737_100010269958 [0,1,0,0,0,0|1,0,2]=4 4283 B12R0.5 C#CCCCCOCCCCCO 34a_100000766709_100000746330 [0,1,0,0,0,0|0,0,2]=3 4284 B12R0.5 C#CCCCCOCCCCCO 7a_100000766709_100000746330 [0,1,0,0,0,0|0,0,2]=3 4285 B12R0.5 C#CCCCCOCCCCOC 34a_100000740925_100010269958 [0,1,0,0,0,0|1,0,2]=4 4286 B12R0.5 C#CCCCCOCCCCOC 34a_100000766709_100000755781 [0,1,0,0,0,0|1,0,2]=4 4287 B12R0.5 C#CCCCCOCCCCOC 7a_100000766709_100000730899 [0,1,0,0,0,0|1,0,2]=4 4288 B12R0.5 C#CCCCCOCCCCSC 34a_100011217163_100010269958 [0,1,0,0,0,0|2,0,1]=4 4289 B12R0.5 C#CCCCCOCCCCSC 7a_100011217163_100010269958 [0,1,0,0,0,0|2,0,1]=4 4290 B12R0.5 C#CCCCCOCCCOCC 34a_100000757476_100010269958 [0,1,0,0,0,0|2,0,1]=4 4291 B12R0.5 C#CCCCCOCCCOCC 34a_100000766709_100012232248 [0,1,0,0,0,0|2,0,1]=4 4292 B12R0.5 C#CCCCCOCCCOCC 7a_100000757476_100010269958 [0,1,0,0,0,0|2,0,1]=4 4293 B12R0.5 C#CCCCCOCCCOCC 7a_100000766709_100012232248 [0,1,0,0,0,0|2,0,1]=4 4294 B12R0.5 C#CCCCCOCCCSCC 34a_100011216438_100010269958 [0,1,0,0,0,0|2,0,1]=4 4295 B12R0.5 C#CCCCCOCCCSCC 7a_100011216438_100010269958 [0,1,0,0,0,0|2,0,1]=4 4296 B12R0.5 C#CCCCCOCCOCCC 34a_100000752267_100010269958 [0,1,0,0,0,0|2,0,1]=4 4297 B12R0.5 C#CCCCCOCCOCCC 34a_100000766709_100011215938 [0,1,0,0,0,0|2,0,1]=4 4298 B12R0.5 C#CCCCCOCCOCCC 7a_100000752267_100010269958 [0,1,0,0,0,0|2,0,1]=4 4299 B12R0.5 C#CCCCCOCCOCCC 7a_100000766709_100011215938 [0,1,0,0,0,0|2,0,1]=4 4300 B12R0.5 C#CCCCCOCCOCCO 34a_100000766709_100000692535 [0,1,0,0,0,0|1,0,2]=4 4301 B12R0.5 C#CCCCCOCCOCCO 7a_100000766709_100011215305 [0,1,0,0,0,0|1,0,2]=4 4302 B12R0.5 C#CCCCCOCCSCCC 34a_200000230433_100010269958 [0,1,0,0,0,0|2,0,1]=4 4303 B12R0.5 C#CCCCCOCCSCCC 7a_200000230433_100010269958 [0,1,0,0,0,0|2,0,1]=4 4304 B12R0.5 C#CCCCCOCOCCCC 34a_100000766709_100011995733 [0,1,0,0,0,0|2,0,1]=4 4305 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,1,0,0,0,0|1,0,1]=3 4306 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,1,0,0,0,0|1,0,1]=3 4307 B12R0.5 C#CCCCCSCCCCCF 62a_100000729378_100010269958 [0,1,0,0,0,0|1,0,2]=4 4308 B12R0.5 C#CCCCCSCCCCCF 62a_100010269958_100000729378 [0,1,0,0,0,0|1,0,2]=4 4309 B12R0.5 C#CCCCCSCCCCCO 62a_100000746330_100010269958 [0,1,0,0,0,0|0,0,2]=3 4310 B12R0.5 C#CCCCCSCCCCCO 62a_100010269958_100000746330 [0,1,0,0,0,0|0,0,2]=3 4311 B12R0.5 C#CCCCCSCCCCOC 62a_100000730899_100010269958 [0,1,0,0,0,0|1,0,2]=4 4312 B12R0.5 C#CCCCCSCCCCOC 62a_100010269958_100000730899 [0,1,0,0,0,0|1,0,2]=4 4313 B12R0.5 C#CCCCCSCCCOCC 62a_100010269958_100012232248 [0,1,0,0,0,0|2,0,1]=4 4314 B12R0.5 C#CCCCCSCCCOCC 62a_100012232248_100010269958 [0,1,0,0,0,0|2,0,1]=4 4315 B12R0.5 C#CCCCCSCCOCCC 62a_100010269958_100011215938 [0,1,0,0,0,0|2,0,1]=4 4316 B12R0.5 C#CCCCCSCCOCCC 62a_100011215938_100010269958 [0,1,0,0,0,0|2,0,1]=4 4317 B12R0.5 C#CCCCCSCCOCCO 62a_100010269958_100011215305 [0,1,0,0,0,0|1,0,2]=4 4318 B12R0.5 C#CCCCCSCCOCCO 62a_100011215305_100010269958 [0,1,0,0,0,0|1,0,2]=4 4319 B12R0.5 C#CCCCCSCOCCCC 62a_100010269958_100011995733 [0,1,0,0,0,0|2,0,1]=4 4320 B12R0.5 C#CCCCCSCOCCCC 62a_100011995733_100010269958 [0,1,0,0,0,0|2,0,1]=4 4321 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,1,0,0,0,0|1,0,1]=3 4322 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,1,0,0,0,0|1,0,1]=3 4323 B12R0.5 C#CCCCNCCCCCCF 34a_100000718082_100015922095 [0,1,0,0,0,0|1,0,2]=4 4324 B12R0.5 C#CCCCNCCCCCCO 2230a_100000686447_100000731252 [0,1,0,0,0,0|0,0,2]=3 4325 B12R0.5 C#CCCCNCCCCCCO 34a_100000686447_100000695029 [0,1,0,0,0,0|0,0,2]=3 4326 B12R0.5 C#CCCCNCCCCCCO 34a_100000718082_100000766143 [0,1,0,0,0,0|0,0,2]=3 4327 B12R0.5 C#CCCCNCCCCCOC 2230a_100000747528_100000731252 [0,1,0,0,0,0|1,0,2]=4 4328 B12R0.5 C#CCCCNCCCCCOC 34a_100000747528_100000695029 [0,1,0,0,0,0|1,0,2]=4 4329 B12R0.5 C#CCCCNCCCOCCC 2230a_100011217757_100000731252 [0,1,0,0,0,0|2,0,1]=4 4330 B12R0.5 C#CCCCNCCCOCCC 34a_100011217757_100000695029 [0,1,0,0,0,0|2,0,1]=4 4331 B12R0.5 C#CCCCNCCOCCCC 34a_100000718082_100000743108 [0,1,0,0,0,0|2,0,1]=4 4332 B12R0.5 C#CCCCNCCSCCCC 2230a_100025743550_100000731252 [0,1,0,0,0,0|2,0,1]=4 4333 B12R0.5 C#CCCCOCCCCCCBr 34a_100011215345_100000695029 [0,1,0,0,0,0|1,0,2]=4 4334 B12R0.5 C#CCCCOCCCCCCBr 7a_100011215345_100011215417 [0,1,0,0,0,0|1,0,2]=4 4335 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,1,0,0,0,0|1,0,1]=3 4336 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,1,0,0,0,0|1,0,1]=3 4337 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,1,0,0,0,0|1,0,1]=3 4338 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,1,0,0,0,0|1,0,1]=3 4339 B12R0.5 C#CCCCOCCCCCCCl 34a_100000766143_100000695029 [0,1,0,0,0,0|1,0,2]=4 4340 B12R0.5 C#CCCCOCCCCCCCl 7a_100000766143_100011215417 [0,1,0,0,0,0|1,0,2]=4 4341 B12R0.5 C#CCCCOCCCCCCF 34a_100000215630_100015922095 [0,1,0,0,0,0|1,0,2]=4 4342 B12R0.5 C#CCCCOCCCCCCF 34a_100000732779_100000695029 [0,1,0,0,0,0|1,0,2]=4 4343 B12R0.5 C#CCCCOCCCCCCF 7a_100000215630_100015922095 [0,1,0,0,0,0|1,0,2]=4 4344 B12R0.5 C#CCCCOCCCCCCF 7a_100000732779_100011215417 [0,1,0,0,0,0|1,0,2]=4 4345 B12R0.5 C#CCCCOCCCCCCN 34a_100000686447_100000695029 [0,1,0,0,0,0|1,0,2]=4 4346 B12R0.5 C#CCCCOCCCCCCO 34a_100000215630_100000766143 [0,1,0,0,0,0|0,0,2]=3 4347 B12R0.5 C#CCCCOCCCCCCO 7a_100000215630_100000766143 [0,1,0,0,0,0|0,0,2]=3 4348 B12R0.5 C#CCCCOCCCCCNC 34a_100000722520_100000695029 [0,1,0,0,0,0|2,0,1]=4 4349 B12R0.5 C#CCCCOCCOCCCC 34a_100000210238_100000695029 [0,1,0,0,0,0|2,0,1]=4 4350 B12R0.5 C#CCCCOCCOCCCC 34a_100000215630_100000743108 [0,1,0,0,0,0|2,0,1]=4 4351 B12R0.5 C#CCCCOCCOCCCC 7a_100000210238_100011215417 [0,1,0,0,0,0|2,0,1]=4 4352 B12R0.5 C#CCCCOCCOCCCC 7a_100000215630_100000743108 [0,1,0,0,0,0|2,0,1]=4 4353 B12R0.5 C#CCCCOCCSCCCC 34a_200000230436_100000695029 [0,1,0,0,0,0|2,0,1]=4 4354 B12R0.5 C#CCCCOCCSCCCC 7a_200000230436_100011215417 [0,1,0,0,0,0|2,0,1]=4 4355 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,1,0,0,0,0|1,0,1]=3 4356 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,1,0,0,0,0|1,0,1]=3 4357 B12R0.5 C#CCCCSCCCCCCF 62a_100011215417_100015922095 [0,1,0,0,0,0|1,0,2]=4 4358 B12R0.5 C#CCCCSCCCCCCF 62a_100015922095_100011215417 [0,1,0,0,0,0|1,0,2]=4 4359 B12R0.5 C#CCCCSCCCCCCO 62a_100000766143_100011215417 [0,1,0,0,0,0|0,0,2]=3 4360 B12R0.5 C#CCCCSCCCCCCO 62a_100011215417_100000766143 [0,1,0,0,0,0|0,0,2]=3 4361 B12R0.5 C#CCCCSCCOCCCC 62a_100000743108_100011215417 [0,1,0,0,0,0|2,0,1]=4 4362 B12R0.5 C#CCCCSCCOCCCC 62a_100011215417_100000743108 [0,1,0,0,0,0|2,0,1]=4 4363 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,1,0,0,0,0|1,0,1]=3 4364 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,1,0,0,0,0|1,0,1]=3 4365 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,1,0,0,0,0|1,0,1]=3 4366 B12R0.5 C#CCCNCCCCCCCO 2230a_100011996573_100000688953 [0,1,0,0,0,0|0,0,2]=3 4367 B12R0.5 C#CCCNCCCCCCCO 34a_100000755551_100000760002 [0,1,0,0,0,0|0,0,2]=3 4368 B12R0.5 C#CCCNCCCCCCCO 34a_100011996573_100000688953 [0,1,0,0,0,0|0,0,2]=3 4369 B12R0.5 C#CCCNCCCCCCOC 34a_100000755551_100011998445 [0,1,0,0,0,0|1,0,2]=4 4370 B12R0.5 C#CCCNCCCOCCCC 2230a_200000211371_100000688953 [0,1,0,0,0,0|2,0,1]=4 4371 B12R0.5 C#CCCNCCCOCCCC 34a_200000211371_100000688953 [0,1,0,0,0,0|2,0,1]=4 4372 B12R0.5 C#CCCNCCCOCCCO 2230a_100011310245_100000688953 [0,1,0,0,0,0|1,0,2]=4 4373 B12R0.5 C#CCCNCCCOCCCO 34a_100011310245_100000688953 [0,1,0,0,0,0|1,0,2]=4 4374 B12R0.5 C#CCCOCCCCCCCBr 34a_100000760002_100000688953 [0,1,0,0,0,0|1,0,2]=4 4375 B12R0.5 C#CCCOCCCCCCCBr 7a_100000760002_100000688953 [0,1,0,0,0,0|1,0,2]=4 4376 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,1,0,0,0,0|1,0,1]=3 4377 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,1,0,0,0,0|1,0,1]=3 4378 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,1,0,0,0,0|1,0,1]=3 4379 B12R0.5 C#CCCOCCCCCCCN 34a_100011996573_100000688953 [0,1,0,0,0,0|1,0,2]=4 4380 B12R0.5 C#CCCOCCCCCCCO 34a_100011215631_100000760002 [0,1,0,0,0,0|0,0,2]=3 4381 B12R0.5 C#CCCOCCCCCCOC 34a_100011215631_100011998445 [0,1,0,0,0,0|1,0,2]=4 4382 B12R0.5 C#CCCOCCCCCCOC 34a_200012092642_100000688953 [0,1,0,0,0,0|1,0,2]=4 4383 B12R0.5 C#CCCOCCCCCCOC 7a_200012092642_100000688953 [0,1,0,0,0,0|1,0,2]=4 4384 B12R0.5 C#CCCOCCCOCCCC 34a_200011215613_100000688953 [0,1,0,0,0,0|2,0,1]=4 4385 B12R0.5 C#CCCOCCCOCCCC 7a_200011215613_100000688953 [0,1,0,0,0,0|2,0,1]=4 4386 B12R0.5 C#CCCOCCNCCCCC 34a_100000224656_100000688953 [0,1,0,0,0,0|2,0,1]=4 4387 B12R0.5 C#CCCOCCOCCCCC 34a_100011215259_100000688953 [0,1,0,0,0,0|2,0,1]=4 4388 B12R0.5 C#CCCOCCOCCCCC 7a_100011215259_100000688953 [0,1,0,0,0,0|2,0,1]=4 4389 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,1,0,0,0,0|1,0,1]=3 4390 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,1,0,0,0,0|1,0,1]=3 4391 B12R0.5 C#CCCSCCCCCCCO 62a_100000688953_100000760002 [0,1,0,0,0,0|0,0,2]=3 4392 B12R0.5 C#CCCSCCCCCCCO 62a_100000760002_100000688953 [0,1,0,0,0,0|0,0,2]=3 4393 B12R0.5 C#CCCSCCCCCCOC 62a_100000688953_100011998445 [0,1,0,0,0,0|1,0,2]=4 4394 B12R0.5 C#CCCSCCCCCCOC 62a_100011998445_100000688953 [0,1,0,0,0,0|1,0,2]=4 4395 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,1,0,0,0,0|1,0,1]=3 4396 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,1,0,0,0,0|1,0,1]=3 4397 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,1,0,0,0,0|1,0,1]=3 4398 B12R0.5 C#CCNCCCCCCCCO 2230a_102515433106_100000038162 [0,1,0,0,0,0|0,0,2]=3 4399 B12R0.5 C#CCNCCCCCCCCO 34a_100000212058_100000033203 [0,1,0,0,0,0|0,0,2]=3 4400 B12R0.5 C#CCNCCCCCCCCO 34a_102515433106_100000184674 [0,1,0,0,0,0|0,0,2]=3 4401 B12R0.5 C#CCOCCCCCCCCBr 34a_100009813846_100000184674 [0,1,0,0,0,0|1,0,2]=4 4402 B12R0.5 C#CCOCCCCCCCCBr 7a_100009813846_100000038162 [0,1,0,0,0,0|1,0,2]=4 4403 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,1,0,0,0,0|1,0,1]=3 4404 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,1,0,0,0,0|1,0,1]=3 4405 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,1,0,0,0,0|1,0,1]=3 4406 B12R0.5 C#CCOCCCCCCCCCl 34a_100000033203_100000184674 [0,1,0,0,0,0|1,0,2]=4 4407 B12R0.5 C#CCOCCCCCCCCCl 7a_100000033203_100000038162 [0,1,0,0,0,0|1,0,2]=4 4408 B12R0.5 C#CCOCCCCCCCCN 34a_102515433106_100000184674 [0,1,0,0,0,0|1,0,2]=4 4409 B12R0.5 C#CCOCCCCCCCCO 34a_100000210247_100000033203 [0,1,0,0,0,0|0,0,2]=3 4410 B12R0.5 C#CCOCCCCCCOCC 34a_200011021349_100000210202 [0,1,0,0,0,0|2,0,1]=4 4411 B12R0.5 C#CCOCCCCCCOCC 7a_200011021349_100000210202 [0,1,0,0,0,0|2,0,1]=4 4412 B12R0.5 C#CCOCCCCNCCCC 34a_200011216965_100000184674 [0,1,0,0,0,0|2,0,1]=4 4413 B12R0.5 C#CCOCCCCOCCCC 34a_200000760531_100000184674 [0,1,0,0,0,0|2,0,1]=4 4414 B12R0.5 C#CCOCCCCOCCCC 7a_200000760531_100000038162 [0,1,0,0,0,0|2,0,1]=4 4415 B12R0.5 C#CCOCCNCCCCCC 2230a_100000210581_100010402529 [0,1,0,0,0,0|2,0,1]=4 4416 B12R0.5 C#CCOCCNCCCCCC 2230a_100000700922_100000210314 [0,1,0,0,0,0|2,0,1]=4 4417 B12R0.5 C#CCOCCNCCCCCC 34a_100000700922_100000210314 [0,1,0,0,0,0|2,0,1]=4 4418 B12R0.5 C#CCOCCNCCCCCO 2230a_100000700922_100000746330 [0,1,0,0,0,0|1,0,2]=4 4419 B12R0.5 C#CCOCCNCCCCCO 2230a_100000762737_100010402529 [0,1,0,0,0,0|1,0,2]=4 4420 B12R0.5 C#CCOCCNCCCCCO 34a_100000700922_100000746330 [0,1,0,0,0,0|1,0,2]=4 4421 B12R0.5 C#CCOCCNCCCCCO 34a_100000762737_100010402529 [0,1,0,0,0,0|1,0,2]=4 4422 B12R0.5 C#CCOCCOCCCCCC 34a_100000054580_100000210314 [0,1,0,0,0,0|2,0,1]=4 4423 B12R0.5 C#CCOCCOCCCCCC 34a_100000210259_100010402529 [0,1,0,0,0,0|2,0,1]=4 4424 B12R0.5 C#CCOCCOCCCCCC 34a_100000691444_100000184674 [0,1,0,0,0,0|2,0,1]=4 4425 B12R0.5 C#CCOCCOCCCCCC 7a_100000054580_100000210314 [0,1,0,0,0,0|2,0,1]=4 4426 B12R0.5 C#CCOCCOCCCCCC 7a_100000210259_100010402529 [0,1,0,0,0,0|2,0,1]=4 4427 B12R0.5 C#CCOCCOCCCCCC 7a_100000691444_100000038162 [0,1,0,0,0,0|2,0,1]=4 4428 B12R0.5 C#CCOCCOCCCCCO 34a_100000054580_100000746330 [0,1,0,0,0,0|1,0,2]=4 4429 B12R0.5 C#CCOCCOCCCCCO 7a_100000054580_100000746330 [0,1,0,0,0,0|1,0,2]=4 4430 B12R0.5 C#CCOCCSCCCCCC 62a_100000210314_100010402529 [0,1,0,0,0,0|2,0,1]=4 4431 B12R0.5 C#CCOCCSCCCCCC 62a_100010402529_100000210757 [0,1,0,0,0,0|2,0,1]=4 4432 B12R0.5 C#CCOCCSCCCCCO 62a_100000746330_100010402529 [0,1,0,0,0,0|1,0,2]=4 4433 B12R0.5 C#CCOCCSCCCCCO 62a_100010402529_100000746330 [0,1,0,0,0,0|1,0,2]=4 4434 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,1,0,0,0,0|1,0,1]=3 4435 B12R0.5 C#CCSCCCCCCCCO 62a_100000038162_100000033203 [0,1,0,0,0,0|0,0,2]=3 4436 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,1,0,0,0,0|1,0,2]=4 4437 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,1,0,0,0,0|1,0,2]=4 4438 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,1,0,0,0,0|0,0,2]=3 4439 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,1,0,0,0,0|1,0,2]=4 4440 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,1,0,0,0,0|0,0,2]=3 4441 B12R0.5 C/C=C/CNCCCOCCCO 34a_100011310245_100102629194 [0,1,0,0,0,0|1,0,2]=4 4442 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,1,0,0,0,0|1,0,2]=4 4443 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,1,0,0,0,0|1,0,2]=4 4444 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,1,0,0,0,0|1,0,2]=4 4445 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,1,0,0,0,0|1,0,2]=4 4446 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,1,0,0,0,0|1,0,2]=4 4447 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,1,0,0,0,0|1,0,2]=4 4448 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,1,0,0,0,0|0,0,2]=3 4449 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,1,0,0,0,0|1,0,2]=4 4450 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,1,0,0,0,0|1,0,2]=4 4451 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,1,0,0,0,0|1,0,2]=4 4452 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,1,0,0,0,0|1,0,2]=4 4453 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,1,0,0,0,0|1,0,2]=4 4454 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,1,0,0,0,0|0,0,2]=3 4455 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,1,0,0,0,0|0,0,2]=3 4456 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,1,0,0,0,0|1,0,2]=4 4457 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,1,0,0,0,0|1,0,2]=4 4458 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,1,0,0,0,0|1,0,1]=3 4459 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,1,0,0,0,0|1,0,1]=3 4460 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,1,0,0,0,0|1,0,1]=3 4461 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,1,0,0,0,0|1,0,1]=3 4462 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,1,0,0,0,0|1,0,1]=3 4463 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,1,0,0,0,0|1,0,1]=3 4464 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,1,0,0,0,0|1,0,1]=3 4465 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,1,0,0,0,0|0,0,2]=3 4466 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,1,0,0,0,0|0,0,2]=3 4467 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,1,0,0,0,0|0,0,2]=3 4468 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,1,0,0,0,0|0,0,2]=3 4469 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,1,0,0,0,0|0,0,2]=3 4470 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,1,0,0,0,0|1,0,1]=3 4471 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,1,0,0,0,0|1,0,1]=3 4472 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,1,0,0,0,0|1,0,1]=3 4473 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,1,0,0,0,0|1,0,1]=3 4474 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,1,0,0,0,0|1,0,1]=3 4475 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,1,0,0,0,0|1,0,1]=3 4476 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,1,0,0,0,0|1,0,1]=3 4477 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,1,0,0,0,0|1,0,1]=3 4478 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,1,0,0,0,0|1,0,2]=4 4479 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,1,0,0,0,0|1,0,2]=4 4480 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,1,0,0,0,0|1,0,1]=3 4481 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,1,0,0,0,0|1,0,1]=3 4482 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,1,0,0,0,0|1,0,2]=4 4483 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,1,0,0,0,0|1,0,2]=4 4484 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,1,0,0,0,0|1,0,2]=4 4485 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,1,0,0,0,0|0,0,2]=3 4486 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,1,0,0,0,0|0,0,2]=3 4487 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,1,0,0,0,0|1,0,2]=4 4488 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,1,0,0,0,0|1,0,1]=3 4489 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,1,0,0,0,0|1,0,1]=3 4490 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,1,0,0,0,0|1,0,1]=3 4491 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,1,0,0,0,0|1,0,2]=4 4492 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,1,0,0,0,0|1,0,2]=4 4493 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,1,0,0,0,0|1,0,2]=4 4494 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,1,0,0,0,0|0,0,2]=3 4495 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,1,0,0,0,0|0,0,2]=3 4496 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,1,0,0,0,0|2,0,1]=4 4497 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,1,0,0,0,0|1,0,1]=3 4498 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,1,0,0,0,0|1,0,1]=3 4499 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,1,0,0,0,0|1,0,2]=4 4500 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,1,0,0,0,0|1,0,2]=4 4501 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,1,0,0,0,0|0,0,2]=3 4502 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,1,0,0,0,0|0,0,2]=3 4503 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,1,0,0,0,0|1,0,2]=4 4504 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,1,0,0,0,0|1,0,2]=4 4505 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,1,0,0,0,0|2,0,1]=4 4506 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,1,0,0,0,0|2,0,1]=4 4507 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,1,0,0,0,0|1,0,1]=3 4508 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,1,0,0,0,0|1,0,1]=3 4509 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,1,0,0,0,0|1,0,2]=4 4510 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,1,0,0,0,0|1,0,2]=4 4511 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,1,0,0,0,0|1,0,2]=4 4512 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,1,0,0,0,0|2,0,1]=4 4513 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,1,0,0,0,0|1,0,2]=4 4514 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,1,0,0,0,0|1,0,1]=3 4515 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,1,0,0,0,0|1,0,1]=3 4516 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,1,0,0,0,0|1,0,1]=3 4517 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,1,0,0,0,0|1,0,1]=3 4518 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,1,0,0,0,0|1,0,2]=4 4519 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,1,0,0,0,0|1,0,2]=4 4520 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,1,0,0,0,0|1,0,2]=4 4521 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,1,0,0,0,0|1,0,2]=4 4522 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,1,0,0,0,0|1,0,2]=4 4523 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,1,0,0,0,0|0,0,2]=3 4524 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,1,0,0,0,0|0,0,2]=3 4525 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,1,0,0,0,0|1,0,2]=4 4526 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,1,0,0,0,0|1,0,2]=4 4527 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,1,0,0,0,0|1,0,2]=4 4528 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [0,1,0,0,0,0|1,0,2]=4 4529 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,1,0,0,0,0|2,0,1]=4 4530 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,1,0,0,0,0|2,0,1]=4 4531 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,1,0,0,0,0|2,0,1]=4 4532 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,1,0,0,0,0|2,0,1]=4 4533 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,1,0,0,0,0|1,0,1]=3 4534 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,1,0,0,0,0|1,0,1]=3 4535 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,1,0,0,0,0|1,0,2]=4 4536 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,1,0,0,0,0|1,0,2]=4 4537 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,1,0,0,0,0|0,0,2]=3 4538 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,1,0,0,0,0|0,0,2]=3 4539 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,1,0,0,0,0|1,0,2]=4 4540 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,1,0,0,0,0|1,0,2]=4 4541 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,1,0,0,0,0|2,0,1]=4 4542 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,1,0,0,0,0|2,0,1]=4 4543 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,1,0,0,0,0|2,0,1]=4 4544 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,1,0,0,0,0|2,0,1]=4 4545 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,1,0,0,0,0|1,0,1]=3 4546 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,1,0,0,0,0|0,0,2]=3 4547 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,1,0,0,0,0|0,0,2]=3 4548 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,1,0,0,0,0|1,0,2]=4 4549 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,1,0,0,0,0|2,0,1]=4 4550 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,1,0,0,0,0|2,0,1]=4 4551 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,1,0,0,0,0|2,0,1]=4 4552 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,1,0,0,0,0|2,0,1]=4 4553 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,1,0,0,0,0|1,0,2]=4 4554 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,1,0,0,0,0|1,0,1]=3 4555 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,1,0,0,0,0|1,0,1]=3 4556 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,1,0,0,0,0|1,0,1]=3 4557 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,1,0,0,0,0|1,0,1]=3 4558 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,1,0,0,0,0|1,0,2]=4 4559 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,1,0,0,0,0|1,0,2]=4 4560 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,1,0,0,0,0|1,0,2]=4 4561 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,1,0,0,0,0|1,0,2]=4 4562 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,1,0,0,0,0|1,0,2]=4 4563 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,1,0,0,0,0|1,0,2]=4 4564 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,1,0,0,0,0|1,0,2]=4 4565 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,1,0,0,0,0|1,0,2]=4 4566 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,1,0,0,0,0|0,0,2]=3 4567 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,1,0,0,0,0|0,0,2]=3 4568 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,1,0,0,0,0|2,0,1]=4 4569 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,1,0,0,0,0|1,0,2]=4 4570 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,1,0,0,0,0|1,0,2]=4 4571 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,1,0,0,0,0|1,0,2]=4 4572 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,1,0,0,0,0|2,0,1]=4 4573 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,1,0,0,0,0|2,0,1]=4 4574 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,1,0,0,0,0|2,0,1]=4 4575 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,1,0,0,0,0|2,0,1]=4 4576 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,1,0,0,0,0|2,0,1]=4 4577 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,1,0,0,0,0|2,0,1]=4 4578 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,1,0,0,0,0|2,0,1]=4 4579 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,1,0,0,0,0|2,0,1]=4 4580 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,1,0,0,0,0|2,0,1]=4 4581 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,1,0,0,0,0|2,0,1]=4 4582 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,1,0,0,0,0|1,0,1]=3 4583 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,1,0,0,0,0|1,0,1]=3 4584 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,1,0,0,0,0|1,0,2]=4 4585 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,1,0,0,0,0|1,0,2]=4 4586 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,1,0,0,0,0|0,0,2]=3 4587 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,1,0,0,0,0|0,0,2]=3 4588 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,1,0,0,0,0|1,0,2]=4 4589 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,1,0,0,0,0|1,0,2]=4 4590 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,1,0,0,0,0|2,0,1]=4 4591 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,1,0,0,0,0|2,0,1]=4 4592 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,1,0,0,0,0|2,0,1]=4 4593 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,1,0,0,0,0|2,0,1]=4 4594 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,1,0,0,0,0|1,0,1]=3 4595 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,1,0,0,0,0|1,0,1]=3 4596 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,1,0,0,0,0|1,0,1]=3 4597 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,1,0,0,0,0|1,0,2]=4 4598 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,1,0,0,0,0|1,0,2]=4 4599 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,1,0,0,0,0|0,0,2]=3 4600 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,1,0,0,0,0|0,0,2]=3 4601 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,1,0,0,0,0|0,0,2]=3 4602 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,1,0,0,0,0|0,0,2]=3 4603 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,1,0,0,0,0|1,0,2]=4 4604 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,1,0,0,0,0|1,0,2]=4 4605 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,1,0,0,0,0|2,0,1]=4 4606 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,1,0,0,0,0|2,0,1]=4 4607 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,1,0,0,0,0|2,0,1]=4 4608 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,1,0,0,0,0|2,0,1]=4 4609 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,1,0,0,0,0|2,0,1]=4 4610 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,1,0,0,0,0|2,0,1]=4 4611 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,1,0,0,0,0|2,0,1]=4 4612 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,1,0,0,0,0|2,0,1]=4 4613 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [0,1,0,0,0,0|1,0,2]=4 4614 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [0,1,0,0,0,0|1,0,2]=4 4615 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [0,1,0,0,0,0|1,0,2]=4 4616 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [0,1,0,0,0,0|1,0,2]=4 4617 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,1,0,0,0,0|2,0,1]=4 4618 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [0,1,0,0,0,0|1,0,2]=4 4619 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,1,0,0,0,0|2,0,1]=4 4620 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,1,0,0,0,0|2,0,1]=4 4621 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,1,0,0,0,0|1,0,2]=4 4622 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,1,0,0,0,0|1,0,2]=4 4623 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,1,0,0,0,0|1,0,1]=3 4624 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,1,0,0,0,0|1,0,1]=3 4625 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,1,0,0,0,0|1,0,1]=3 4626 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,1,0,0,0,0|1,0,1]=3 4627 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,1,0,0,0,0|1,0,2]=4 4628 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,1,0,0,0,0|1,0,2]=4 4629 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,1,0,0,0,0|1,0,2]=4 4630 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,1,0,0,0,0|1,0,2]=4 4631 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,1,0,0,0,0|1,0,2]=4 4632 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,1,0,0,0,0|1,0,2]=4 4633 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,1,0,0,0,0|1,0,2]=4 4634 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,1,0,0,0,0|0,0,2]=3 4635 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,1,0,0,0,0|0,0,2]=3 4636 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,1,0,0,0,0|1,0,2]=4 4637 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,1,0,0,0,0|1,0,2]=4 4638 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,1,0,0,0,0|1,0,2]=4 4639 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,1,0,0,0,0|2,0,1]=4 4640 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,1,0,0,0,0|2,0,1]=4 4641 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,1,0,0,0,0|2,0,1]=4 4642 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,1,0,0,0,0|2,0,1]=4 4643 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,1,0,0,0,0|2,0,1]=4 4644 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,1,0,0,0,0|2,0,1]=4 4645 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,1,0,0,0,0|2,0,1]=4 4646 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,1,0,0,0,0|2,0,1]=4 4647 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,1,0,0,0,0|2,0,1]=4 4648 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,1,0,0,0,0|2,0,1]=4 4649 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,1,0,0,0,0|2,0,1]=4 4650 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,1,0,0,0,0|2,0,1]=4 4651 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,1,0,0,0,0|1,0,2]=4 4652 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,1,0,0,0,0|1,0,2]=4 4653 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,1,0,0,0,0|2,0,1]=4 4654 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,1,0,0,0,0|2,0,1]=4 4655 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,1,0,0,0,0|1,0,1]=3 4657 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,1,0,0,0,0|1,0,1]=3 4658 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,1,0,0,0,0|1,0,2]=4 4659 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,1,0,0,0,0|1,0,2]=4 4660 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,1,0,0,0,0|0,0,2]=3 4661 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,1,0,0,0,0|0,0,2]=3 4662 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,1,0,0,0,0|1,0,2]=4 4663 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,1,0,0,0,0|1,0,2]=4 4664 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,1,0,0,0,0|2,0,1]=4 4665 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,1,0,0,0,0|2,0,1]=4 4666 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,1,0,0,0,0|2,0,1]=4 4667 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,1,0,0,0,0|2,0,1]=4 4668 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [0,1,0,0,0,0|1,0,2]=4 4669 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [0,1,0,0,0,0|1,0,2]=4 4670 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,1,0,0,0,0|2,0,1]=4 4671 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,1,0,0,0,0|2,0,1]=4 4672 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,1,0,0,0,0|1,0,1]=3 4673 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,1,0,0,0,0|1,0,1]=3 4674 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,1,0,0,0,0|1,0,1]=3 4675 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,1,0,0,0,0|1,0,2]=4 4676 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,1,0,0,0,0|1,0,2]=4 4677 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,1,0,0,0,0|0,0,2]=3 4678 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,1,0,0,0,0|0,0,2]=3 4679 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,1,0,0,0,0|0,0,2]=3 4680 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,1,0,0,0,0|0,0,2]=3 4681 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,1,0,0,0,0|1,0,2]=4 4682 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,1,0,0,0,0|1,0,2]=4 4683 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,1,0,0,0,0|2,0,1]=4 4684 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,1,0,0,0,0|2,0,1]=4 4685 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,1,0,0,0,0|2,0,1]=4 4686 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,1,0,0,0,0|2,0,1]=4 4687 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,1,0,0,0,0|2,0,1]=4 4688 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,1,0,0,0,0|1,0,2]=4 4689 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,1,0,0,0,0|1,0,2]=4 4690 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,1,0,0,0,0|1,0,1]=3 4691 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,1,0,0,0,0|1,0,1]=3 4692 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,1,0,0,0,0|1,0,1]=3 4693 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,1,0,0,0,0|1,0,1]=3 4694 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,1,0,0,0,0|1,0,2]=4 4695 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,1,0,0,0,0|1,0,2]=4 4696 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,1,0,0,0,0|1,0,2]=4 4697 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,1,0,0,0,0|1,0,2]=4 4698 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,1,0,0,0,0|1,0,2]=4 4699 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,1,0,0,0,0|1,0,2]=4 4700 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,1,0,0,0,0|1,0,2]=4 4701 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,1,0,0,0,0|0,0,2]=3 4702 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,1,0,0,0,0|0,0,2]=3 4703 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,1,0,0,0,0|2,0,1]=4 4704 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,1,0,0,0,0|2,0,1]=4 4705 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,1,0,0,0,0|2,0,1]=4 4706 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,1,0,0,0,0|2,0,1]=4 4707 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,1,0,0,0,0|2,0,1]=4 4708 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,1,0,0,0,0|2,0,1]=4 4709 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,1,0,0,0,0|2,0,1]=4 4710 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,1,0,0,0,0|1,0,1]=3 4711 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,1,0,0,0,0|1,0,1]=3 4712 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,1,0,0,0,0|1,0,2]=4 4713 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,1,0,0,0,0|1,0,2]=4 4714 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,1,0,0,0,0|0,0,2]=3 4715 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,1,0,0,0,0|0,0,2]=3 4716 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,1,0,0,0,0|2,0,1]=4 4717 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,1,0,0,0,0|2,0,1]=4 4718 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,1,0,0,0,0|1,0,1]=3 4719 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,1,0,0,0,0|1,0,1]=3 4720 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,1,0,0,0,0|1,0,1]=3 4721 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,1,0,0,0,0|0,0,2]=3 4722 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,1,0,0,0,0|0,0,2]=3 4723 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,1,0,0,0,0|0,0,2]=3 4724 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,1,0,0,0,0|1,0,2]=4 4725 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,1,0,0,0,0|2,0,1]=4 4726 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,1,0,0,0,0|2,0,1]=4 4727 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,1,0,0,0,0|1,0,2]=4 4728 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,1,0,0,0,0|1,0,2]=4 4729 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,1,0,0,0,0|1,0,2]=4 4730 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,1,0,0,0,0|1,0,2]=4 4731 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,1,0,0,0,0|1,0,1]=3 4732 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,1,0,0,0,0|1,0,1]=3 4733 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,1,0,0,0,0|1,0,1]=3 4734 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,1,0,0,0,0|1,0,2]=4 4735 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,1,0,0,0,0|0,0,2]=3 4736 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,1,0,0,0,0|1,0,2]=4 4737 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,1,0,0,0,0|1,0,2]=4 4738 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,1,0,0,0,0|1,0,2]=4 4739 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,1,0,0,0,0|2,0,1]=4 4740 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,1,0,0,0,0|2,0,1]=4 4741 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,1,0,0,0,0|2,0,1]=4 4742 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,1,0,0,0,0|2,0,1]=4 4743 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,1,0,0,0,0|2,0,1]=4 4744 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,1,0,0,0,0|1,0,1]=3 4745 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,1,0,0,0,0|1,0,1]=3 4746 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,1,0,0,0,0|0,0,2]=3 4747 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,1,0,0,0,0|0,0,2]=3 4748 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,1,0,0,0,0|1,0,2]=4 4749 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,1,0,0,0,0|1,0,2]=4 4750 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,1,0,0,0,0|1,0,1]=3 4751 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,1,0,0,0,0|1,0,1]=3 4752 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,1,0,0,0,0|1,0,1]=3 4753 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,1,0,0,0,0|0,0,2]=3 4754 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,1,0,0,0,0|0,0,2]=3 4755 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,1,0,0,0,0|0,0,2]=3 4756 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,1,0,0,0,0|1,0,2]=4 4757 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,1,0,0,0,0|1,0,2]=4 4758 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,1,0,0,0,0|1,0,1]=3 4759 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,1,0,0,0,0|1,0,1]=3 4760 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,1,0,0,0,0|1,0,1]=3 4761 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,1,0,0,0,0|1,0,2]=4 4762 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,1,0,0,0,0|1,0,2]=4 4763 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,1,0,0,0,0|1,0,2]=4 4764 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,1,0,0,0,0|0,0,2]=3 4765 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,1,0,0,0,0|2,0,1]=4 4766 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,1,0,0,0,0|2,0,1]=4 4767 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,1,0,0,0,0|2,0,1]=4 4768 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,1,0,0,0,0|2,0,1]=4 4769 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,1,0,0,0,0|2,0,1]=4 4770 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,1,0,0,0,0|2,0,1]=4 4771 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,1,0,0,0,0|2,0,1]=4 4772 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,1,0,0,0,0|1,0,2]=4 4773 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,1,0,0,0,0|1,0,2]=4 4774 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,1,0,0,0,0|1,0,1]=3 4775 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,1,0,0,0,0|0,0,2]=3 4776 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,1,0,0,0,0|0,0,2]=3 4777 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,1,0,0,0,0|2,0,1]=4 4778 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,1,0,0,0,0|2,0,1]=4 4779 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,1,0,0,0,0|1,0,2]=4 4780 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,1,0,0,0,0|1,0,2]=4 4781 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,1,0,0,0,0|2,0,1]=4 4782 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,1,0,0,0,0|2,0,1]=4 4783 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,1,0,0,0,0|1,0,2]=4 4784 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,1,0,0,0,0|1,0,2]=4 4785 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,1,0,0,0,0|2,0,1]=4 4786 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,1,0,0,0,0|1,0,2]=4 4787 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,1,0,0,0,0|1,0,2]=4 4788 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,1,0,0,0,0|2,0,1]=4 4789 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,1,0,0,0,0|2,0,1]=4 4790 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,1,0,0,0,0|2,0,1]=4 4791 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,1,0,0,0,0|1,0,2]=4 4792 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,1,0,0,0,0|2,0,1]=4 4793 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,1,0,0,0,0|2,0,1]=4 4794 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,1,0,0,0,0|1,0,2]=4 4795 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,1,0,0,0,0|1,0,2]=4 4796 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,1,0,0,0,0|1,0,2]=4 4797 B12R0.5 CC#CCCOCCCCCCF 34a_100000750427_100015922095 [0,1,0,0,0,0|1,0,2]=4 4798 B12R0.5 CC#CCCOCCCCCCO 34a_100000750427_100000766143 [0,1,0,0,0,0|0,0,2]=3 4799 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [0,1,0,0,0,0|1,0,2]=4 4800 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [0,1,0,0,0,0|1,0,2]=4 4801 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [0,1,0,0,0,0|1,0,2]=4 4802 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [0,1,0,0,0,0|1,0,2]=4 4803 B12R0.5 CC#CCNCCCCCCCO 2230a_100000685387_100000760002 [0,1,0,0,0,0|0,0,2]=3 4804 B12R0.5 CC#CCNCCCCCCCO 2230a_100011996573_100000748600 [0,1,0,0,0,0|0,0,2]=3 4805 B12R0.5 CC#CCNCCCCCCCO 34a_100000685387_100000760002 [0,1,0,0,0,0|0,0,2]=3 4806 B12R0.5 CC#CCNCCCCCCCO 34a_100011996573_100000748600 [0,1,0,0,0,0|0,0,2]=3 4807 B12R0.5 CC#CCNCCCCCCOC 2230a_100000685387_100011998445 [0,1,0,0,0,0|1,0,2]=4 4808 B12R0.5 CC#CCNCCCCCCOC 34a_100000685387_100011998445 [0,1,0,0,0,0|1,0,2]=4 4809 B12R0.5 CC#CCNCCCOCCCO 2230a_100011310245_100000748600 [0,1,0,0,0,0|1,0,2]=4 4810 B12R0.5 CC#CCNCCCOCCCO 34a_100011310245_100000748600 [0,1,0,0,0,0|1,0,2]=4 4811 B12R0.5 CC#CCOCCCCCCCBr 34a_100000760002_100000748600 [0,1,0,0,0,0|1,0,2]=4 4812 B12R0.5 CC#CCOCCCCCCCBr 7a_100000760002_100000748600 [0,1,0,0,0,0|1,0,2]=4 4813 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [0,1,0,0,0,0|1,0,2]=4 4814 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [0,1,0,0,0,0|1,0,2]=4 4815 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [0,1,0,0,0,0|1,0,2]=4 4816 B12R0.5 CC#CCOCCCCCCCN 34a_100011996573_100000748600 [0,1,0,0,0,0|1,0,2]=4 4817 B12R0.5 CC#CCOCCCCCCCO 34a_100000761923_100000760002 [0,1,0,0,0,0|0,0,2]=3 4818 B12R0.5 CC#CCOCCCCCCOC 34a_100000761923_100011998445 [0,1,0,0,0,0|1,0,2]=4 4819 B12R0.5 CC#CCOCCCCCCOC 34a_200012092642_100000748600 [0,1,0,0,0,0|1,0,2]=4 4820 B12R0.5 CC#CCOCCCCCCOC 7a_200012092642_100000748600 [0,1,0,0,0,0|1,0,2]=4 4821 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [0,1,0,0,0,0|1,0,2]=4 4822 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [0,1,0,0,0,0|1,0,2]=4 4823 B12R0.5 CC#CCSCCCCCCCO 62a_100000748600_100000760002 [0,1,0,0,0,0|0,0,2]=3 4824 B12R0.5 CC#CCSCCCCCCCO 62a_100000760002_100000748600 [0,1,0,0,0,0|0,0,2]=3 4825 B12R0.5 CC#CCSCCCCCCOC 62a_100000748600_100011998445 [0,1,0,0,0,0|1,0,2]=4 4826 B12R0.5 CC#CCSCCCCCCOC 62a_100011998445_100000748600 [0,1,0,0,0,0|1,0,2]=4 4827 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [0,1,0,0,0,0|1,0,2]=4 4828 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [0,1,0,0,0,0|1,0,2]=4 4829 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [0,1,0,0,0,0|1,0,2]=4 4830 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [0,1,0,0,0,0|1,0,2]=4 4831 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [0,1,0,0,0,0|0,0,2]=3 4832 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [0,1,0,0,0,0|0,0,2]=3 4833 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [0,1,0,0,0,0|1,0,2]=4 4834 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [0,1,0,0,0,0|1,0,2]=4 4835 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,1,0,0,0,0|1,0,2]=4 4836 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [0,1,0,0,0,0|1,0,2]=4 4837 B12R0.5 CC/C=C\CCCCCNCCF 269862a_100000724931_100016288537 [0,1,0,0,0,0|1,0,2]=4 4838 B12R0.5 CC/C=C\CCCCCNCCO 269862a_100000210304_100016288537 [0,1,0,0,0,0|0,0,2]=3 4839 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [0,1,0,0,0,0|1,0,2]=4 4840 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [0,1,0,0,0,0|1,0,2]=4 4841 B12R0.5 CC/C=C\CCCCCOCCF 34a_100016268722_100011217306 [0,1,0,0,0,0|1,0,2]=4 4842 B12R0.5 CC/C=C\CCCCCOCCF 7a_100016268722_100011217306 [0,1,0,0,0,0|1,0,2]=4 4843 B12R0.5 CC/C=C\CCCCCOCCO 34a_100016268722_100000211926 [0,1,0,0,0,0|0,0,2]=3 4844 B12R0.5 CC/C=C\CCCCCOCCO 7a_100016268722_100000211926 [0,1,0,0,0,0|0,0,2]=3 4845 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [0,1,0,0,0,0|1,0,2]=4 4846 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [0,1,0,0,0,0|1,0,2]=4 4847 B12R0.5 CC/C=C\CCCCOCCCF 34a_100016287862_100011934791 [0,1,0,0,0,0|1,0,2]=4 4848 B12R0.5 CC/C=C\CCCCOCCCF 7a_100016287862_100011934791 [0,1,0,0,0,0|1,0,2]=4 4849 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [0,1,0,0,0,0|0,0,2]=3 4850 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [0,1,0,0,0,0|0,0,2]=3 4851 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [0,1,0,0,0,0|1,0,2]=4 4852 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [0,1,0,0,0,0|1,0,2]=4 4853 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [0,1,0,0,0,0|1,0,2]=4 4854 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [0,1,0,0,0,0|0,0,2]=3 4855 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [0,1,0,0,0,0|0,0,2]=3 4856 B12R0.5 CC/C=C\CCNCCOCCO 2230a_100000211614_100015370543 [0,1,0,0,0,0|1,0,2]=4 4857 B12R0.5 CC/C=C\CCNCCOCCO 34a_100000211614_100015370543 [0,1,0,0,0,0|1,0,2]=4 4858 B12R0.5 CC/C=C\CCNCCSCCO 2230a_100011219999_100015370543 [0,1,0,0,0,0|1,0,2]=4 4859 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [0,1,0,0,0,0|1,0,2]=4 4860 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [0,1,0,0,0,0|1,0,2]=4 4861 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [0,1,0,0,0,0|1,0,2]=4 4862 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [0,1,0,0,0,0|1,0,2]=4 4863 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [0,1,0,0,0,0|1,0,2]=4 4864 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [0,1,0,0,0,0|1,0,2]=4 4865 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [0,1,0,0,0,0|1,0,2]=4 4866 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [0,1,0,0,0,0|1,0,2]=4 4867 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [0,1,0,0,0,0|1,0,2]=4 4868 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [0,1,0,0,0,0|1,0,2]=4 4869 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [0,1,0,0,0,0|1,0,2]=4 4870 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [0,1,0,0,0,0|1,0,2]=4 4871 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [0,1,0,0,0,0|1,0,2]=4 4872 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [0,1,0,0,0,0|0,0,2]=3 4873 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [0,1,0,0,0,0|0,0,2]=3 4874 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [0,1,0,0,0,0|1,0,2]=4 4875 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [0,1,0,0,0,0|1,0,2]=4 4876 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [0,1,0,0,0,0|1,0,2]=4 4877 B12R0.5 CC/C=C\CCOCCOCCO 34a_100016288707_100000692535 [0,1,0,0,0,0|1,0,2]=4 4878 B12R0.5 CC/C=C\CCOCCOCCO 7a_100016288707_100011215305 [0,1,0,0,0,0|1,0,2]=4 4879 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [0,1,0,0,0,0|1,0,2]=4 4880 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [0,1,0,0,0,0|1,0,2]=4 4881 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [0,1,0,0,0,0|1,0,2]=4 4882 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [0,1,0,0,0,0|1,0,2]=4 4883 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [0,1,0,0,0,0|0,0,2]=3 4884 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [0,1,0,0,0,0|0,0,2]=3 4885 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [0,1,0,0,0,0|1,0,2]=4 4886 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [0,1,0,0,0,0|1,0,2]=4 4887 B12R0.5 CC/C=C\CCSCCOCCO 62a_100011215305_100015370543 [0,1,0,0,0,0|1,0,2]=4 4888 B12R0.5 CC/C=C\CCSCCOCCO 62a_100015370543_100011215305 [0,1,0,0,0,0|1,0,2]=4 4889 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [0,1,0,0,0,0|1,0,2]=4 4890 B12R0.5 CC/C=C\CNCCCCCCO 2230a_100000686447_100103147603 [0,1,0,0,0,0|0,0,2]=3 4891 B12R0.5 CC/C=C\CNCCCCCCO 34a_100000686447_100103147603 [0,1,0,0,0,0|0,0,2]=3 4892 B12R0.5 CC/C=C\CNCCCCCOC 2230a_100000747528_100103147603 [0,1,0,0,0,0|1,0,2]=4 4893 B12R0.5 CC/C=C\CNCCCCCOC 34a_100000747528_100103147603 [0,1,0,0,0,0|1,0,2]=4 4894 B12R0.5 CC/C=C\COCCCCCCBr 34a_100011215345_100103147603 [0,1,0,0,0,0|1,0,2]=4 4895 B12R0.5 CC/C=C\COCCCCCCBr 7a_100011215345_100103147603 [0,1,0,0,0,0|1,0,2]=4 4896 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [0,1,0,0,0,0|1,0,2]=4 4897 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [0,1,0,0,0,0|1,0,2]=4 4898 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [0,1,0,0,0,0|1,0,2]=4 4899 B12R0.5 CC/C=C\COCCCCCCCl 34a_100000766143_100103147603 [0,1,0,0,0,0|1,0,2]=4 4900 B12R0.5 CC/C=C\COCCCCCCCl 7a_100000766143_100103147603 [0,1,0,0,0,0|1,0,2]=4 4901 B12R0.5 CC/C=C\COCCCCCCF 34a_100000732779_100103147603 [0,1,0,0,0,0|1,0,2]=4 4902 B12R0.5 CC/C=C\COCCCCCCF 34a_100016268518_100015922095 [0,1,0,0,0,0|1,0,2]=4 4903 B12R0.5 CC/C=C\COCCCCCCF 7a_100000732779_100103147603 [0,1,0,0,0,0|1,0,2]=4 4904 B12R0.5 CC/C=C\COCCCCCCN 34a_100000686447_100103147603 [0,1,0,0,0,0|1,0,2]=4 4905 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [0,1,0,0,0,0|0,0,2]=3 4906 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [0,1,0,0,0,0|1,0,2]=4 4907 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [0,1,0,0,0,0|1,0,2]=4 4908 B12R0.5 CC/C=C\CSCCCCCCF 62a_100015922095_100103147603 [0,1,0,0,0,0|1,0,2]=4 4909 B12R0.5 CC/C=C\CSCCCCCCF 62a_100103147603_100015922095 [0,1,0,0,0,0|1,0,2]=4 4910 B12R0.5 CC/C=C\CSCCCCCCO 62a_100000766143_100103147603 [0,1,0,0,0,0|0,0,2]=3 4911 B12R0.5 CC/C=C\CSCCCCCCO 62a_100103147603_100000766143 [0,1,0,0,0,0|0,0,2]=3 4912 B12R0.5 CC=C=CCCOCCCCCO 34a_100011020354_100000746330 [0,1,0,0,0,0|0,0,3]=4 4913 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,1,0,0,0,0|1,0,2]=4 4914 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,1,0,0,0,0|1,0,2]=4 4915 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,1,0,0,0,0|0,0,2]=3 4916 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,1,0,0,0,0|1,0,2]=4 4917 B12R0.5 CC=CCCCOCCOCCO 34a_100020645299_100000692535 [0,1,0,0,0,0|1,0,2]=4 4918 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,1,0,0,0,0|1,0,2]=4 4919 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,1,0,0,0,0|1,0,2]=4 4920 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,1,0,0,0,0|0,0,2]=3 4921 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,1,0,0,0,0|0,0,2]=3 4922 B12R0.5 CC=CCNCCCOCCCO 2230a_100011310245_100000070051 [0,1,0,0,0,0|1,0,2]=4 4923 B12R0.5 CC=CCNCCCOCCCO 34a_100011310245_100000070051 [0,1,0,0,0,0|1,0,2]=4 4924 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,1,0,0,0,0|1,0,2]=4 4925 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,1,0,0,0,0|1,0,2]=4 4926 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,1,0,0,0,0|1,0,2]=4 4927 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,1,0,0,0,0|1,0,2]=4 4928 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,1,0,0,0,0|1,0,2]=4 4929 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,1,0,0,0,0|1,0,2]=4 4930 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,1,0,0,0,0|1,0,2]=4 4931 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,1,0,0,0,0|1,0,2]=4 4932 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,1,0,0,0,0|1,0,2]=4 4933 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,1,0,0,0,0|0,0,2]=3 4934 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,1,0,0,0,0|0,0,2]=3 4935 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,1,0,0,0,0|1,0,2]=4 4936 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,1,0,0,0,0|1,0,2]=4 4937 B12R0.5 CCC#CCCCCCCNCC 2230a_100015525214_200000036426 [0,1,0,0,0,0|1,0,2]=4 4938 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [0,1,0,0,0,0|1,0,2]=4 4939 B12R0.5 CCC#CCCCCCCSCC 62a_100000210202_200000036426 [0,1,0,0,0,0|1,0,2]=4 4940 B12R0.5 CCC#CCCCCCCSCC 62a_200000036426_100000210202 [0,1,0,0,0,0|1,0,2]=4 4941 B12R0.5 CCC#CCCCCCCSCF 62a_100015361967_200000036426 [0,1,0,0,0,0|1,0,2]=4 4942 B12R0.5 CCC#CCCCCCCSCF 62a_200000036426_100015361967 [0,1,0,0,0,0|1,0,2]=4 4943 B12R0.5 CCC#CCCOCCCCCC 34a_100000036655_100000210314 [0,1,0,0,0,0|1,0,2]=4 4944 B12R0.5 CCC#CCCOCCCCCC 7a_100000036655_100000210314 [0,1,0,0,0,0|1,0,2]=4 4945 B12R0.5 CCC#CCCOCCCCCF 34a_100000036655_100000729378 [0,1,0,0,0,0|1,0,2]=4 4946 B12R0.5 CCC#CCCOCCCCCF 7a_100000036655_100000729378 [0,1,0,0,0,0|1,0,2]=4 4947 B12R0.5 CCC#CCCOCCCCCO 34a_100000036655_100000746330 [0,1,0,0,0,0|0,0,2]=3 4948 B12R0.5 CCC#CCCOCCCCCO 7a_100000036655_100000746330 [0,1,0,0,0,0|0,0,2]=3 4949 B12R0.5 CCC#CCCOCCCCOC 34a_100000036655_100000755781 [0,1,0,0,0,0|1,0,2]=4 4950 B12R0.5 CCC#CCCOCCCCOC 7a_100000036655_100000730899 [0,1,0,0,0,0|1,0,2]=4 4951 B12R0.5 CCC#CCCOCCOCCO 34a_100000036655_100000692535 [0,1,0,0,0,0|1,0,2]=4 4952 B12R0.5 CCC#CCCOCCOCCO 7a_100000036655_100011215305 [0,1,0,0,0,0|1,0,2]=4 4953 B12R0.5 CCC#CCNCCCCCCC 2230a_100000229938_100009813939 [0,1,0,0,0,0|1,0,2]=4 4954 B12R0.5 CCC#CCNCCCCCCO 2230a_100000686447_100009813939 [0,1,0,0,0,0|0,0,2]=3 4955 B12R0.5 CCC#CCNCCCCCCO 34a_100000686447_100009813939 [0,1,0,0,0,0|0,0,2]=3 4956 B12R0.5 CCC#CCNCCCCCOC 2230a_100000747528_100009813939 [0,1,0,0,0,0|1,0,2]=4 4957 B12R0.5 CCC#CCNCCCCCOC 34a_100000747528_100009813939 [0,1,0,0,0,0|1,0,2]=4 4958 B12R0.5 CCC#CCOCCCCCCBr 34a_100011215345_100009813939 [0,1,0,0,0,0|1,0,2]=4 4959 B12R0.5 CCC#CCOCCCCCCBr 7a_100011215345_100009813939 [0,1,0,0,0,0|1,0,2]=4 4960 B12R0.5 CCC#CCOCCCCCCC 34a_100000032950_100000210614 [0,1,0,0,0,0|1,0,2]=4 4961 B12R0.5 CCC#CCOCCCCCCC 34a_100000210272_100009813939 [0,1,0,0,0,0|1,0,2]=4 4962 B12R0.5 CCC#CCOCCCCCCC 7a_100000210272_100009813939 [0,1,0,0,0,0|1,0,2]=4 4963 B12R0.5 CCC#CCOCCCCCCCl 34a_100000766143_100009813939 [0,1,0,0,0,0|1,0,2]=4 4964 B12R0.5 CCC#CCOCCCCCCCl 7a_100000766143_100009813939 [0,1,0,0,0,0|1,0,2]=4 4965 B12R0.5 CCC#CCOCCCCCCF 34a_100000032950_100015922095 [0,1,0,0,0,0|1,0,2]=4 4966 B12R0.5 CCC#CCOCCCCCCF 34a_100000732779_100009813939 [0,1,0,0,0,0|1,0,2]=4 4967 B12R0.5 CCC#CCOCCCCCCF 7a_100000732779_100009813939 [0,1,0,0,0,0|1,0,2]=4 4968 B12R0.5 CCC#CCOCCCCCCN 34a_100000686447_100009813939 [0,1,0,0,0,0|1,0,2]=4 4969 B12R0.5 CCC#CCOCCCCCCO 34a_100000032950_100000766143 [0,1,0,0,0,0|0,0,2]=3 4970 B12R0.5 CCC#CCSCCCCCCC 62a_100000210614_100009813939 [0,1,0,0,0,0|1,0,2]=4 4971 B12R0.5 CCC#CCSCCCCCCC 62a_100009813939_100000210316 [0,1,0,0,0,0|1,0,2]=4 4972 B12R0.5 CCC#CCSCCCCCCF 62a_100009813939_100015922095 [0,1,0,0,0,0|1,0,2]=4 4973 B12R0.5 CCC#CCSCCCCCCF 62a_100015922095_100009813939 [0,1,0,0,0,0|1,0,2]=4 4974 B12R0.5 CCC#CCSCCCCCCO 62a_100000766143_100009813939 [0,1,0,0,0,0|0,0,2]=3 4975 B12R0.5 CCC#CCSCCCCCCO 62a_100009813939_100000766143 [0,1,0,0,0,0|0,0,2]=3 4976 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [0,1,0,0,0,0|1,0,2]=4 4977 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [0,1,0,0,0,0|1,0,2]=4 4978 B12R0.5 CCC/C=C/COCCCCCF 34a_100016278788_100000729378 [0,1,0,0,0,0|1,0,2]=4 4979 B12R0.5 CCC/C=C/COCCCCCF 7a_100016278788_100000729378 [0,1,0,0,0,0|1,0,2]=4 4980 B12R0.5 CCC/C=C/COCCCCCO 34a_100016278788_100000746330 [0,1,0,0,0,0|0,0,2]=3 4981 B12R0.5 CCC/C=C/COCCCCCO 7a_100016278788_100000746330 [0,1,0,0,0,0|0,0,2]=3 4982 B12R0.5 CCC/C=C/COCCCCOC 34a_100016278788_100000755781 [0,1,0,0,0,0|1,0,2]=4 4983 B12R0.5 CCC/C=C/COCCCCOC 7a_100016278788_100000730899 [0,1,0,0,0,0|1,0,2]=4 4984 B12R0.5 CCC/C=C/COCCOCCO 34a_100016278788_100000692535 [0,1,0,0,0,0|1,0,2]=4 4985 B12R0.5 CCC/C=C/COCCOCCO 7a_100016278788_100011215305 [0,1,0,0,0,0|1,0,2]=4 4986 B12R0.5 CCCC#CCCOCCCCC 34a_100000042726_100000718602 [0,1,0,0,0,0|1,0,2]=4 4987 B12R0.5 CCCC#CCCOCCCCC 7a_100000042726_100000210326 [0,1,0,0,0,0|1,0,2]=4 4988 B12R0.5 CCCC#CCCOCCCCF 34a_100000042726_100000729493 [0,1,0,0,0,0|1,0,2]=4 4989 B12R0.5 CCCC#CCCOCCCCF 7a_100000042726_100000729493 [0,1,0,0,0,0|1,0,2]=4 4990 B12R0.5 CCCC#CCCOCCCCO 34a_100000042726_100011216708 [0,1,0,0,0,0|0,0,2]=3 4991 B12R0.5 CCCC#CCCOCCCCO 7a_100000042726_100000210776 [0,1,0,0,0,0|0,0,2]=3 4992 B12R0.5 CCCC#CCCOCCCOC 34a_100000042726_100000740836 [0,1,0,0,0,0|1,0,2]=4 4993 B12R0.5 CCCC#CCCOCCCOC 7a_100000042726_100000740836 [0,1,0,0,0,0|1,0,2]=4 4994 B12R0.5 CCCC#CCOCCCCCC 34a_100000034806_100000210314 [0,1,0,0,0,0|1,0,2]=4 4995 B12R0.5 CCCC#CCOCCCCCC 7a_100000034806_100000210314 [0,1,0,0,0,0|1,0,2]=4 4996 B12R0.5 CCCC#CCOCCCCCF 34a_100000034806_100000729378 [0,1,0,0,0,0|1,0,2]=4 4997 B12R0.5 CCCC#CCOCCCCCF 7a_100000034806_100000729378 [0,1,0,0,0,0|1,0,2]=4 4998 B12R0.5 CCCC#CCOCCCCCO 34a_100000034806_100000746330 [0,1,0,0,0,0|0,0,2]=3 4999 B12R0.5 CCCC#CCOCCCCCO 7a_100000034806_100000746330 [0,1,0,0,0,0|0,0,2]=3 5000 B12R0.5 CCCC#CCOCCCCOC 34a_100000034806_100000755781 [0,1,0,0,0,0|1,0,2]=4 5001 B12R0.5 CCCC#CCOCCCCOC 7a_100000034806_100000730899 [0,1,0,0,0,0|1,0,2]=4 5002 B12R0.5 CCCC#CCOCCOCCO 34a_100000034806_100000692535 [0,1,0,0,0,0|1,0,2]=4 5003 B12R0.5 CCCC#CCOCCOCCO 7a_100000034806_100011215305 [0,1,0,0,0,0|1,0,2]=4 5004 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [0,1,0,0,0,0|1,0,2]=4 5005 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [0,1,0,0,0,0|1,0,2]=4 5006 B12R0.5 CCCC/C=C/CCCCOCF 34a_200020645093_100015361967 [0,1,0,0,0,0|1,0,2]=4 5007 B12R0.5 CCCC/C=C/CCCCOCF 7a_200020645093_100015361967 [0,1,0,0,0,0|1,0,2]=4 5008 B12R0.5 CCCC/C=C/COCCCCC 34a_200016272032_100000718602 [0,1,0,0,0,0|1,0,2]=4 5009 B12R0.5 CCCC/C=C/COCCCCC 7a_200016272032_100000210326 [0,1,0,0,0,0|1,0,2]=4 5010 B12R0.5 CCCC/C=C/COCCCCF 34a_200016272032_100000729493 [0,1,0,0,0,0|1,0,2]=4 5011 B12R0.5 CCCC/C=C/COCCCCF 7a_200016272032_100000729493 [0,1,0,0,0,0|1,0,2]=4 5012 B12R0.5 CCCC/C=C/COCCCCO 34a_200016272032_100011216708 [0,1,0,0,0,0|0,0,2]=3 5013 B12R0.5 CCCC/C=C/COCCCCO 7a_200016272032_100000210776 [0,1,0,0,0,0|0,0,2]=3 5014 B12R0.5 CCCC/C=C/COCCCOC 34a_200016272032_100000740836 [0,1,0,0,0,0|1,0,2]=4 5015 B12R0.5 CCCC/C=C/COCCCOC 7a_200016272032_100000740836 [0,1,0,0,0,0|1,0,2]=4 5016 B12R0.5 CCCC/C=C\CCOCCCC 34a_200016286491_100000210210 [0,1,0,0,0,0|1,0,2]=4 5017 B12R0.5 CCCC/C=C\CCOCCCC 7a_200016286491_100000210211 [0,1,0,0,0,0|1,0,2]=4 5018 B12R0.5 CCCC/C=C\CCOCCCF 34a_200016286491_100011934791 [0,1,0,0,0,0|1,0,2]=4 5019 B12R0.5 CCCC/C=C\CCOCCCF 7a_200016286491_100011934791 [0,1,0,0,0,0|1,0,2]=4 5020 B12R0.5 CCCC/C=C\CCOCCCO 34a_200016286491_100000230001 [0,1,0,0,0,0|0,0,2]=3 5021 B12R0.5 CCCC/C=C\CCOCCCO 7a_200016286491_100011215043 [0,1,0,0,0,0|0,0,2]=3 5022 B12R0.5 CCCC/C=C\CCOCCOC 34a_200016286491_100011201679 [0,1,0,0,0,0|1,0,2]=4 5023 B12R0.5 CCCC/C=C\CCOCCOC 7a_200016286491_100000233755 [0,1,0,0,0,0|1,0,2]=4 5024 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [0,1,0,0,0,0|1,0,2]=4 5025 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [0,1,0,0,0,0|1,0,2]=4 5026 B12R0.5 CCCCC#CCCCCOCF 34a_200000066234_100015361967 [0,1,0,0,0,0|1,0,2]=4 5027 B12R0.5 CCCCC#CCCCCOCF 7a_200000066234_100015361967 [0,1,0,0,0,0|1,0,2]=4 5028 B12R0.5 CCCCC#CCCCNCCF 34a_100000724931_200000047210 [0,1,0,0,0,0|1,0,2]=4 5029 B12R0.5 CCCCC#CCCCNCCO 2230a_100016997473_200000047210 [0,1,0,0,0,0|0,0,2]=3 5030 B12R0.5 CCCCC#CCCCNCCO 34a_100016990907_200000047210 [0,1,0,0,0,0|0,0,2]=3 5031 B12R0.5 CCCCC#CCCCOCCBr 34a_100000211926_200000047210 [0,1,0,0,0,0|1,0,2]=4 5032 B12R0.5 CCCCC#CCCCOCCC 34a_100000210258_200000047210 [0,1,0,0,0,0|1,0,2]=4 5033 B12R0.5 CCCCC#CCCCOCCN 34a_100000210304_200000047210 [0,1,0,0,0,0|1,0,2]=4 5034 B12R0.5 CCCCC#CCCCSCCC 62a_100000210303_200000047210 [0,1,0,0,0,0|1,0,2]=4 5035 B12R0.5 CCCCC#CCCCSCCC 62a_200000047210_100000210303 [0,1,0,0,0,0|1,0,2]=4 5036 B12R0.5 CCCCC#CCCCSCCF 62a_100011217306_200000047210 [0,1,0,0,0,0|1,0,2]=4 5037 B12R0.5 CCCCC#CCCCSCCF 62a_200000047210_100011217306 [0,1,0,0,0,0|1,0,2]=4 5038 B12R0.5 CCCCC#CCCCSCCO 62a_100000211926_200000047210 [0,1,0,0,0,0|0,0,2]=3 5039 B12R0.5 CCCCC#CCCCSCCO 62a_200000047210_100000211926 [0,1,0,0,0,0|0,0,2]=3 5040 B12R0.5 CCCCC#CCCCSCOC 62a_100000766300_200000047210 [0,1,0,0,0,0|1,0,2]=4 5041 B12R0.5 CCCCC#CCCCSCOC 62a_200000047210_100000766300 [0,1,0,0,0,0|1,0,2]=4 5042 B12R0.5 CCCCC#CCCOCCCC 34a_100000037610_100000210210 [0,1,0,0,0,0|1,0,2]=4 5043 B12R0.5 CCCCC#CCCOCCCC 7a_100000037610_100000210211 [0,1,0,0,0,0|1,0,2]=4 5044 B12R0.5 CCCCC#CCCOCCCF 34a_100000037610_100011934791 [0,1,0,0,0,0|1,0,2]=4 5045 B12R0.5 CCCCC#CCCOCCCF 7a_100000037610_100011934791 [0,1,0,0,0,0|1,0,2]=4 5046 B12R0.5 CCCCC#CCCOCCCO 34a_100000037610_100000230001 [0,1,0,0,0,0|0,0,2]=3 5047 B12R0.5 CCCCC#CCCOCCCO 7a_100000037610_100011215043 [0,1,0,0,0,0|0,0,2]=3 5048 B12R0.5 CCCCC#CCCOCCOC 34a_100000037610_100011201679 [0,1,0,0,0,0|1,0,2]=4 5049 B12R0.5 CCCCC#CCCOCCOC 7a_100000037610_100000233755 [0,1,0,0,0,0|1,0,2]=4 5050 B12R0.5 CCCCC#CCOCCCCC 34a_200000034558_100000718602 [0,1,0,0,0,0|1,0,2]=4 5051 B12R0.5 CCCCC#CCOCCCCC 7a_200000034558_100000210326 [0,1,0,0,0,0|1,0,2]=4 5052 B12R0.5 CCCCC#CCOCCCCF 34a_200000034558_100000729493 [0,1,0,0,0,0|1,0,2]=4 5053 B12R0.5 CCCCC#CCOCCCCF 7a_200000034558_100000729493 [0,1,0,0,0,0|1,0,2]=4 5054 B12R0.5 CCCCC#CCOCCCCO 34a_200000034558_100011216708 [0,1,0,0,0,0|0,0,2]=3 5055 B12R0.5 CCCCC#CCOCCCCO 7a_200000034558_100000210776 [0,1,0,0,0,0|0,0,2]=3 5056 B12R0.5 CCCCC#CCOCCCOC 34a_200000034558_100000740836 [0,1,0,0,0,0|1,0,2]=4 5057 B12R0.5 CCCCC#CCOCCCOC 7a_200000034558_100000740836 [0,1,0,0,0,0|1,0,2]=4 5058 B12R0.5 CCCCC/C=C/COCCCC 34a_100016258190_100000210210 [0,1,0,0,0,0|1,0,2]=4 5059 B12R0.5 CCCCC/C=C/COCCCC 7a_100016258190_100000210211 [0,1,0,0,0,0|1,0,2]=4 5060 B12R0.5 CCCCC/C=C/COCCCF 34a_100016258190_100011934791 [0,1,0,0,0,0|1,0,2]=4 5061 B12R0.5 CCCCC/C=C/COCCCF 7a_100016258190_100011934791 [0,1,0,0,0,0|1,0,2]=4 5062 B12R0.5 CCCCC/C=C/COCCCO 34a_100016258190_100000230001 [0,1,0,0,0,0|0,0,2]=3 5063 B12R0.5 CCCCC/C=C/COCCCO 7a_100016258190_100011215043 [0,1,0,0,0,0|0,0,2]=3 5064 B12R0.5 CCCCC/C=C/COCCOC 34a_100016258190_100011201679 [0,1,0,0,0,0|1,0,2]=4 5065 B12R0.5 CCCCC/C=C/COCCOC 7a_100016258190_100000233755 [0,1,0,0,0,0|1,0,2]=4 5066 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [0,1,0,0,0,0|1,0,2]=4 5067 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [0,1,0,0,0,0|1,0,2]=4 5068 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [0,1,0,0,0,0|1,0,2]=4 5069 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [0,1,0,0,0,0|1,0,2]=4 5070 B12R0.5 CCCCC/C=C\CCOCCC 34a_100016277358_100000210303 [0,1,0,0,0,0|1,0,2]=4 5071 B12R0.5 CCCCC/C=C\CCOCCC 7a_100016277358_100000210303 [0,1,0,0,0,0|1,0,2]=4 5072 B12R0.5 CCCCC/C=C\CCOCCF 34a_100016277358_100011217306 [0,1,0,0,0,0|1,0,2]=4 5073 B12R0.5 CCCCC/C=C\CCOCCF 7a_100016277358_100011217306 [0,1,0,0,0,0|1,0,2]=4 5074 B12R0.5 CCCCC/C=C\CCOCCO 34a_100016277358_100000211926 [0,1,0,0,0,0|0,0,2]=3 5075 B12R0.5 CCCCC/C=C\CCOCCO 7a_100016277358_100000211926 [0,1,0,0,0,0|0,0,2]=3 5076 B12R0.5 CCCCCC#CCCOCCC 34a_200000042877_100000210303 [0,1,0,0,0,0|1,0,2]=4 5077 B12R0.5 CCCCCC#CCCOCCC 7a_200000042877_100000210303 [0,1,0,0,0,0|1,0,2]=4 5078 B12R0.5 CCCCCC#CCCOCCF 34a_200000042877_100011217306 [0,1,0,0,0,0|1,0,2]=4 5079 B12R0.5 CCCCCC#CCCOCCF 7a_200000042877_100011217306 [0,1,0,0,0,0|1,0,2]=4 5080 B12R0.5 CCCCCC#CCCOCCO 34a_200000042877_100000211926 [0,1,0,0,0,0|0,0,2]=3 5081 B12R0.5 CCCCCC#CCCOCCO 7a_200000042877_100000211926 [0,1,0,0,0,0|0,0,2]=3 5082 B12R0.5 CCCCCC#CCNCCCC 2230a_100000102301_100009816472 [0,1,0,0,0,0|1,0,2]=4 5083 B12R0.5 CCCCCC#CCNCCCC 7a_106832991798_100009816472 [0,1,0,0,0,0|1,0,2]=4 5084 B12R0.5 CCCCCC#CCNCCCF 2230a_100015189416_100009816472 [0,1,0,0,0,0|1,0,2]=4 5085 B12R0.5 CCCCCC#CCNCCCF 34a_100015189416_100009816472 [0,1,0,0,0,0|1,0,2]=4 5086 B12R0.5 CCCCCC#CCNCCOC 2230a_100000209980_100009816472 [0,1,0,0,0,0|1,0,2]=4 5087 B12R0.5 CCCCCC#CCOCCCBr 34a_100011217188_100009816472 [0,1,0,0,0,0|1,0,2]=4 5088 B12R0.5 CCCCCC#CCOCCCC 34a_100000210227_100009816472 [0,1,0,0,0,0|1,0,2]=4 5089 B12R0.5 CCCCCC#CCOCCCC 34a_200000033628_100000210210 [0,1,0,0,0,0|1,0,2]=4 5090 B12R0.5 CCCCCC#CCOCCCC 7a_100000210227_100009816472 [0,1,0,0,0,0|1,0,2]=4 5091 B12R0.5 CCCCCC#CCOCCCC 7a_200000033628_100000210211 [0,1,0,0,0,0|1,0,2]=4 5092 B12R0.5 CCCCCC#CCOCCCCl 34a_100000230001_100009816472 [0,1,0,0,0,0|1,0,2]=4 5093 B12R0.5 CCCCCC#CCOCCCF 34a_100000759539_100009816472 [0,1,0,0,0,0|1,0,2]=4 5094 B12R0.5 CCCCCC#CCOCCCF 34a_200000033628_100011934791 [0,1,0,0,0,0|1,0,2]=4 5095 B12R0.5 CCCCCC#CCOCCCF 7a_200000033628_100011934791 [0,1,0,0,0,0|1,0,2]=4 5096 B12R0.5 CCCCCC#CCOCCCN 34a_100000182051_100009816472 [0,1,0,0,0,0|1,0,2]=4 5097 B12R0.5 CCCCCC#CCOCCCO 34a_200000033628_100000230001 [0,1,0,0,0,0|0,0,2]=3 5098 B12R0.5 CCCCCC#CCOCCCO 7a_200000033628_100011215043 [0,1,0,0,0,0|0,0,2]=3 5099 B12R0.5 CCCCCC#CCOCCOC 34a_100000210237_100009816472 [0,1,0,0,0,0|1,0,2]=4 5100 B12R0.5 CCCCCC#CCOCCOC 34a_200000033628_100011201679 [0,1,0,0,0,0|1,0,2]=4 5101 B12R0.5 CCCCCC#CCOCCOC 7a_200000033628_100000233755 [0,1,0,0,0,0|1,0,2]=4 5102 B12R0.5 CCCCCC#CCOCCON 34a_100000700252_100009816472 [0,1,0,0,0,0|1,0,2]=4 5103 B12R0.5 CCCCCC#CCSCCCC 62a_100000210211_100009816472 [0,1,0,0,0,0|1,0,2]=4 5104 B12R0.5 CCCCCC#CCSCCCC 62a_100009816472_100000210210 [0,1,0,0,0,0|1,0,2]=4 5105 B12R0.5 CCCCCC#CCSCCCF 62a_100009816472_100011934791 [0,1,0,0,0,0|1,0,2]=4 5106 B12R0.5 CCCCCC#CCSCCCF 62a_100011934791_100009816472 [0,1,0,0,0,0|1,0,2]=4 5107 B12R0.5 CCCCCC#CCSCCCO 62a_100009816472_100011215043 [0,1,0,0,0,0|0,0,2]=3 5108 B12R0.5 CCCCCC#CCSCCCO 62a_100011215043_100009816472 [0,1,0,0,0,0|0,0,2]=3 5109 B12R0.5 CCCCCC#CCSCCOC 62a_100000233755_100009816472 [0,1,0,0,0,0|1,0,2]=4 5110 B12R0.5 CCCCCC#CCSCCOC 62a_100009816472_100000233755 [0,1,0,0,0,0|1,0,2]=4 5111 B12R0.5 CCCCCC/C=C/COCCC 34a_200016276170_100000210303 [0,1,0,0,0,0|1,0,2]=4 5112 B12R0.5 CCCCCC/C=C/COCCC 7a_200016276170_100000210303 [0,1,0,0,0,0|1,0,2]=4 5113 B12R0.5 CCCCCC/C=C/COCCF 34a_200016276170_100011217306 [0,1,0,0,0,0|1,0,2]=4 5114 B12R0.5 CCCCCC/C=C/COCCF 7a_200016276170_100011217306 [0,1,0,0,0,0|1,0,2]=4 5115 B12R0.5 CCCCCC/C=C/COCCO 34a_200016276170_100000211926 [0,1,0,0,0,0|0,0,2]=3 5116 B12R0.5 CCCCCC/C=C/COCCO 7a_200016276170_100000211926 [0,1,0,0,0,0|0,0,2]=3 5117 B12R0.5 CCCCCC=NNCCCCC 4a_100000694160_100000737632 [0,1,0,0,0,0|2,0,1]=4 5118 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [0,1,0,0,0,0|1,0,2]=4 5119 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [0,1,0,0,0,0|1,0,2]=4 5120 B12R0.5 CCCCCCC#CCCOCF 34a_200000033163_100015361967 [0,1,0,0,0,0|1,0,2]=4 5121 B12R0.5 CCCCCCC#CCCOCF 7a_200000033163_100015361967 [0,1,0,0,0,0|1,0,2]=4 5122 B12R0.5 CCCCCCC#CCOCCC 34a_200000037284_100000210303 [0,1,0,0,0,0|1,0,2]=4 5123 B12R0.5 CCCCCCC#CCOCCC 7a_200000037284_100000210303 [0,1,0,0,0,0|1,0,2]=4 5124 B12R0.5 CCCCCCC#CCOCCF 34a_200000037284_100011217306 [0,1,0,0,0,0|1,0,2]=4 5125 B12R0.5 CCCCCCC#CCOCCF 7a_200000037284_100011217306 [0,1,0,0,0,0|1,0,2]=4 5126 B12R0.5 CCCCCCC#CCOCCO 34a_200000037284_100000211926 [0,1,0,0,0,0|0,0,2]=3 5127 B12R0.5 CCCCCCC#CCOCCO 7a_200000037284_100000211926 [0,1,0,0,0,0|0,0,2]=3 5128 B12R0.5 CCCCCCC=NNCCCC 4a_100025702795_100000234349 [0,1,0,0,0,0|2,0,1]=4 5129 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [0,1,0,0,0,0|1,0,2]=4 5130 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [0,1,0,0,0,0|1,0,2]=4 5131 B12R0.5 CCCCCCCC#CCOCF 34a_200000061759_100015361967 [0,1,0,0,0,0|1,0,2]=4 5132 B12R0.5 CCCCCCCC#CCOCF 7a_200000061759_100015361967 [0,1,0,0,0,0|1,0,2]=4 5133 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,1,0,0,0,0|0,0,2]=3 5134 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,1,0,0,0,0|0,0,2]=3 5135 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,1,0,0,0,0|0,0,2]=3 5136 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,1,0,0,0,0|0,0,2]=3 5137 B12R0.5 CCCCCCCC=NNCCC 4a_100000740057_100000210592 [0,1,0,0,0,0|2,0,1]=4 5138 B12R0.5 CCCCCCCC=NNCCO 4a_100000210001_100000210592 [0,1,0,0,0,0|1,0,1]=3 5139 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [0,1,0,0,0,0|2,0,1]=4 5140 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,1,0,0,0,0|1,0,0]=2 5141 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,1,0,0,0,0|1,0,0]=2 5142 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,1,0,0,0,0|1,0,0]=2 5143 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,1,0,0,0,0|1,0,0]=2 5144 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,1,0,0,0,0|1,0,0]=2 5145 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,1,0,0,0,0|1,0,0]=2 5146 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,1,0,0,0,0|1,0,0]=2 5147 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,1,0,0,0,0|0,0,0]=1 5148 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,1,0,0,0,0|0,0,0]=1 5149 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,1,0,0,0,0|0,0,0]=1 5150 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,1,0,0,0,0|0,0,0]=1 5151 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,1,0,0,0,0|0,0,0]=1 5152 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,1,0,0,0,0|0,1,0]=2 5153 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,1,0,0,0,0|0,1,0]=2 5154 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,1,0,0,0,0|1,0,0]=2 5155 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,1,0,0,0,0|1,0,0]=2 5156 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,1,0,0,0,0|1,0,0]=2 5157 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,1,0,0,0,0|1,0,0]=2 5158 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,1,0,0,0,0|1,0,0]=2 5159 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,1,0,0,0,0|1,0,0]=2 5160 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,1,0,0,0,0|1,0,0]=2 5161 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,1,0,0,0,0|1,0,0]=2 5162 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,1,0,0,0,0|1,0,0]=2 5163 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,1,0,0,0,0|1,0,0]=2 5164 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,1,0,0,0,0|1,0,0]=2 5165 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,1,0,0,0,0|1,0,1]=3 5166 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,1,0,0,0,0|0,0,2]=3 5167 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,1,0,0,0,0|0,0,2]=3 5168 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,1,0,0,0,0|1,0,0]=2 5169 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,1,0,0,0,0|1,0,0]=2 5170 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,1,0,0,0,0|1,0,0]=2 5171 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,1,0,0,0,0|1,0,0]=2 5172 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,1,0,0,0,0|1,0,0]=2 5173 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,1,0,0,0,0|0,0,0]=1 5174 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,1,0,0,0,0|0,0,0]=1 5175 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,1,0,0,0,0|0,0,0]=1 5176 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,1,0,0,0,0|0,0,0]=1 5177 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,1,0,0,0,0|1,0,0]=2 5178 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,1,0,0,0,0|1,1,0]=3 5179 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,1,0,0,0,0|1,1,0]=3 5180 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,1,0,0,0,0|1,0,1]=3 5181 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,1,0,0,0,0|0,0,2]=3 5182 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,1,0,0,0,0|0,0,2]=3 5183 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,1,0,0,0,0|1,0,0]=2 5184 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,1,0,0,0,0|1,0,0]=2 5185 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,1,0,0,0,0|1,0,0]=2 5186 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,1,0,0,0,0|1,0,0]=2 5187 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,1,0,0,0,0|1,0,0]=2 5188 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,1,0,0,0,0|1,0,0]=2 5189 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,1,0,0,0,0|1,0,0]=2 5190 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,1,0,0,0,0|0,0,0]=1 5191 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,1,0,0,0,0|0,0,0]=1 5192 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,1,0,0,0,0|1,1,0]=3 5193 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,1,0,0,0,0|1,0,1]=3 5194 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,1,0,0,0,0|0,0,2]=3 5195 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,1,0,0,0,0|1,0,0]=2 5196 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,1,0,0,0,0|1,0,0]=2 5197 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,1,0,0,0,0|0,0,0]=1 5198 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,1,0,0,0,0|1,0,0]=2 5199 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,1,0,0,0,0|1,1,0]=3 5200 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,1,0,0,0,0|1,0,1]=3 5201 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,1,0,0,0,0|1,0,0]=2 5202 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,1,0,0,0,0|1,0,0]=2 5203 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,1,0,0,0,0|1,0,0]=2 5204 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,1,0,0,0,0|1,0,0]=2 5205 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,1,0,0,0,0|1,0,0]=2 5206 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,1,0,0,0,0|1,0,0]=2 5207 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,1,0,0,0,0|1,0,0]=2 5208 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,1,0,0,0,0|1,0,0]=2 5209 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,1,0,0,0,0|0,0,0]=1 5210 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,1,0,0,0,0|0,0,0]=1 5211 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,1,0,0,0,0|1,0,0]=2 5212 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,1,0,0,0,0|1,0,0]=2 5213 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,1,0,0,0,0|1,0,0]=2 5214 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,1,0,0,0,0|1,1,0]=3 5215 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,1,0,0,0,0|1,1,0]=3 5216 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,1,0,0,0,0|1,1,0]=3 5217 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,1,0,0,0,0|1,0,1]=3 5218 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,1,0,0,0,0|1,0,0]=2 5219 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,1,0,0,0,0|1,0,0]=2 5220 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,1,0,0,0,0|1,0,0]=2 5221 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,1,0,0,0,0|1,0,0]=2 5222 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,1,0,0,0,0|1,0,0]=2 5223 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,1,0,0,0,0|1,0,0]=2 5224 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,1,0,0,0,0|1,0,0]=2 5225 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,1,0,0,0,0|1,0,0]=2 5226 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,1,0,0,0,0|1,0,0]=2 5227 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,1,0,0,0,0|1,0,0]=2 5228 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,1,0,0,0,0|0,0,0]=1 5229 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,1,0,0,0,0|0,0,0]=1 5230 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,1,0,0,0,0|1,0,0]=2 5231 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,1,0,0,0,0|1,0,0]=2 5232 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,1,0,0,0,0|1,0,0]=2 5233 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,1,0,0,0,0|1,0,0]=2 5234 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,1,0,0,0,0|1,1,0]=3 5235 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,1,0,0,0,0|1,1,0]=3 5236 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,1,0,0,0,0|1,1,0]=3 5237 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,1,0,0,0,0|1,1,0]=3 5238 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,1,0,0,0,0|1,0,1]=3 5239 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,1,0,0,0,0|1,0,1]=3 5240 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,1,0,0,0,0|1,0,0]=2 5241 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,1,0,0,0,0|1,0,0]=2 5242 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,1,0,0,0,0|1,0,0]=2 5243 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,1,0,0,0,0|1,0,0]=2 5244 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,1,0,0,0,0|0,0,0]=1 5245 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,1,0,0,0,0|0,0,0]=1 5246 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,1,0,0,0,0|1,0,0]=2 5247 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,1,0,0,0,0|1,0,0]=2 5248 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,1,0,0,0,0|1,1,0]=3 5249 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,1,0,0,0,0|1,1,0]=3 5250 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,1,0,0,0,0|2,0,0]=3 5251 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,1,0,0,0,0|2,0,0]=3 5252 B12R0.5 CCCCCCCCSCSC#N 62a_100000210759_100000211825 [0,1,0,0,0,0|2,0,1]=4 5253 B12R0.5 CCCCCCCCSCSC#N 62a_100000211825_100000210317 [0,1,0,0,0,0|2,0,1]=4 5254 B12R0.5 CCCCCCCNCC#CCO 2230a_100000229938_200000047223 [0,1,0,0,0,0|0,0,2]=3 5255 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,1,0,0,0,0|1,0,1]=3 5256 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,1,0,0,0,0|0,0,2]=3 5257 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,1,0,0,0,0|1,0,0]=2 5258 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,1,0,0,0,0|1,0,0]=2 5259 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,1,0,0,0,0|1,0,0]=2 5260 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,1,0,0,0,0|0,0,0]=1 5261 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,1,0,0,0,0|0,0,0]=1 5262 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,1,0,0,0,0|0,0,0]=1 5263 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,1,0,0,0,0|1,0,0]=2 5264 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,1,0,0,0,0|1,0,0]=2 5265 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,1,0,0,0,0|1,1,0]=3 5266 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,1,0,0,0,0|2,0,0]=3 5267 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,1,0,0,0,0|2,0,0]=3 5268 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,1,0,0,0,0|2,0,0]=3 5269 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,1,0,0,0,0|2,0,0]=3 5270 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,1,0,0,0,0|2,0,0]=3 5271 B12R0.5 CCCCCCCOCC#CCCl 34a_200000047223_100000210614 [0,1,0,0,0,0|1,0,2]=4 5272 B12R0.5 CCCCCCCOCC#CCO 34a_100000210272_200000047223 [0,1,0,0,0,0|0,0,2]=3 5273 B12R0.5 CCCCCCCOCC#CCO 7a_100000210272_200000047223 [0,1,0,0,0,0|0,0,2]=3 5274 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,1,0,0,0,0|1,0,1]=3 5275 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,1,0,0,0,0|0,0,2]=3 5276 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,1,0,0,0,0|1,0,0]=2 5277 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,1,0,0,0,0|1,0,0]=2 5278 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,1,0,0,0,0|1,0,0]=2 5279 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,1,0,0,0,0|1,0,0]=2 5280 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,1,0,0,0,0|1,0,0]=2 5281 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,1,0,0,0,0|1,0,0]=2 5282 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,1,0,0,0,0|1,0,0]=2 5283 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,1,0,0,0,0|1,0,0]=2 5284 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,1,0,0,0,0|1,0,0]=2 5285 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,1,0,0,0,0|1,0,0]=2 5286 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,1,0,0,0,0|1,0,0]=2 5287 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,1,0,0,0,0|1,0,0]=2 5288 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,1,0,0,0,0|1,0,0]=2 5289 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,1,0,0,0,0|0,0,0]=1 5290 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,1,0,0,0,0|0,0,0]=1 5291 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,1,0,0,0,0|2,0,0]=3 5292 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,1,0,0,0,0|1,0,0]=2 5293 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,1,0,0,0,0|1,0,0]=2 5294 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,1,0,0,0,0|1,0,0]=2 5295 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,1,0,0,0,0|1,1,0]=3 5296 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,1,0,0,0,0|1,1,0]=3 5297 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,1,0,0,0,0|2,0,0]=3 5298 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,1,0,0,0,0|2,0,0]=3 5299 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,1,0,0,0,0|2,0,0]=3 5300 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,1,0,0,0,0|2,0,0]=3 5301 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,1,0,0,0,0|2,0,0]=3 5302 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,1,0,0,0,0|2,0,0]=3 5303 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,1,0,0,0,0|2,0,0]=3 5304 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,1,0,0,0,0|2,0,0]=3 5305 B12R0.5 CCCCCCCSCC#CCO 62a_100000210614_200000047223 [0,1,0,0,0,0|0,0,2]=3 5306 B12R0.5 CCCCCCCSCC#CCO 62a_200000047223_100000210316 [0,1,0,0,0,0|0,0,2]=3 5307 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,1,0,0,0,0|1,0,1]=3 5308 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,1,0,0,0,0|1,0,1]=3 5309 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,1,0,0,0,0|0,0,2]=3 5310 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,1,0,0,0,0|0,0,2]=3 5311 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,1,0,0,0,0|1,0,0]=2 5312 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,1,0,0,0,0|1,0,0]=2 5313 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,1,0,0,0,0|1,0,0]=2 5314 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,1,0,0,0,0|1,0,0]=2 5315 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,1,0,0,0,0|0,0,0]=1 5316 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,1,0,0,0,0|0,0,0]=1 5317 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,1,0,0,0,0|1,0,0]=2 5318 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,1,0,0,0,0|1,0,0]=2 5319 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,1,0,0,0,0|2,0,0]=3 5320 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,1,0,0,0,0|2,0,0]=3 5321 B12R0.5 CCCCCCCSCCSC#N 62a_100000034367_100000210316 [0,1,0,0,0,0|2,0,1]=4 5322 B12R0.5 CCCCCCCSCCSC#N 62a_100000210614_100000034367 [0,1,0,0,0,0|2,0,1]=4 5323 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,1,0,0,0,0|2,0,0]=3 5324 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,1,0,0,0,0|2,0,0]=3 5325 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,1,0,0,0,0|1,0,1]=3 5326 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,1,0,0,0,0|0,0,2]=3 5327 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,1,0,0,0,0|1,0,0]=2 5328 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,1,0,0,0,0|1,0,0]=2 5329 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,1,0,0,0,0|0,0,0]=1 5330 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,1,0,0,0,0|0,0,0]=1 5331 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,1,0,0,0,0|0,0,0]=1 5332 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,1,0,0,0,0|1,0,0]=2 5333 B12R0.5 CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210314 [0,1,0,0,0,0|3,0,0]=4 5334 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,1,0,0,0,0|2,0,0]=3 5335 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,1,0,0,0,0|2,0,0]=3 5336 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,1,0,0,0,0|2,0,0]=3 5337 B12R0.5 CCCCCCNCCOCC#N 2230a_100000210581_200000047693 [0,1,0,0,0,0|2,0,1]=4 5338 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [0,1,0,0,0,0|2,0,0]=3 5339 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [0,1,0,0,0,0|2,0,0]=3 5340 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [0,1,0,0,0,0|2,0,0]=3 5341 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,1,0,0,0,0|1,0,0]=2 5342 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,1,0,0,0,0|1,0,0]=2 5343 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,1,0,0,0,0|1,0,0]=2 5344 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [0,1,0,0,0,0|2,0,0]=3 5345 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,1,0,0,0,0|1,0,0]=2 5346 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [0,1,0,0,0,0|2,0,0]=3 5347 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,1,0,0,0,0|2,0,0]=3 5348 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,1,0,0,0,0|1,0,1]=3 5349 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,1,0,0,0,0|0,0,2]=3 5350 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,1,0,0,0,0|1,0,0]=2 5351 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,1,0,0,0,0|1,0,0]=2 5352 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,1,0,0,0,0|1,0,0]=2 5353 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,1,0,0,0,0|1,0,0]=2 5354 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,1,0,0,0,0|1,0,0]=2 5355 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,1,0,0,0,0|1,0,0]=2 5356 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,1,0,0,0,0|1,0,0]=2 5357 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,1,0,0,0,0|1,0,0]=2 5358 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,1,0,0,0,0|1,0,0]=2 5359 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,1,0,0,0,0|1,0,0]=2 5360 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,1,0,0,0,0|1,0,0]=2 5361 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,1,0,0,0,0|0,0,0]=1 5362 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,1,0,0,0,0|0,0,0]=1 5363 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,1,0,0,0,0|1,0,0]=2 5364 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,1,0,0,0,0|1,0,0]=2 5365 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,1,0,0,0,0|1,0,0]=2 5366 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,1,0,0,0,0|1,1,0]=3 5367 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,1,0,0,0,0|1,1,0]=3 5368 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,1,0,0,0,0|2,0,0]=3 5369 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,1,0,0,0,0|2,0,0]=3 5370 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,1,0,0,0,0|2,0,0]=3 5371 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,1,0,0,0,0|2,0,0]=3 5372 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,1,0,0,0,0|2,0,0]=3 5373 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,1,0,0,0,0|2,0,0]=3 5374 B12R0.5 CCCCCCOCCOCC#N 7a_100000210259_200000047693 [0,1,0,0,0,0|2,0,1]=4 5375 B12R0.5 CCCCCCOCCOCC#N 7a_100000691444_100011215382 [0,1,0,0,0,0|2,0,1]=4 5376 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,1,0,0,0,0|1,0,2]=4 5377 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,1,0,0,0,0|1,0,2]=4 5378 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [0,1,0,0,0,0|2,0,0]=3 5379 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [0,1,0,0,0,0|2,0,0]=3 5380 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [0,1,0,0,0,0|2,0,0]=3 5381 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [0,1,0,0,0,0|2,0,0]=3 5382 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [0,1,0,0,0,0|2,0,0]=3 5383 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [0,1,0,0,0,0|2,0,0]=3 5384 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [0,1,0,0,0,0|2,0,0]=3 5385 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [0,1,0,0,0,0|2,0,0]=3 5386 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [0,1,0,0,0,0|2,0,0]=3 5387 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [0,1,0,0,0,0|2,0,0]=3 5388 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [0,1,0,0,0,0|2,0,0]=3 5389 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [0,1,0,0,0,0|2,0,0]=3 5390 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [0,1,0,0,0,0|2,0,0]=3 5391 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [0,1,0,0,0,0|2,0,0]=3 5392 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [0,1,0,0,0,0|2,0,0]=3 5393 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [0,1,0,0,0,0|2,0,0]=3 5394 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [0,1,0,0,0,0|2,0,0]=3 5395 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,1,0,0,0,0|1,0,0]=2 5396 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,1,0,0,0,0|1,0,0]=2 5397 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,1,0,0,0,0|1,0,0]=2 5398 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,1,0,0,0,0|1,0,0]=2 5399 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [0,1,0,0,0,0|2,1,0]=4 5400 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [0,1,0,0,0,0|2,0,0]=3 5401 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [0,1,0,0,0,0|2,0,0]=3 5402 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [0,1,0,0,0,0|2,0,0]=3 5403 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,1,0,0,0,0|1,0,1]=3 5404 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,1,0,0,0,0|1,0,1]=3 5405 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,1,0,0,0,0|0,0,2]=3 5406 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,1,0,0,0,0|0,0,2]=3 5407 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,1,0,0,0,0|1,0,0]=2 5408 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,1,0,0,0,0|1,0,0]=2 5409 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,1,0,0,0,0|1,0,0]=2 5410 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,1,0,0,0,0|0,0,0]=1 5411 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,1,0,0,0,0|0,0,0]=1 5412 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,1,0,0,0,0|1,0,0]=2 5413 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,1,0,0,0,0|1,0,0]=2 5414 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,1,0,0,0,0|2,0,0]=3 5415 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,1,0,0,0,0|2,0,0]=3 5416 B12R0.5 CCCCCCSCCOCC#N 62a_100000210314_200000047693 [0,1,0,0,0,0|2,0,1]=4 5417 B12R0.5 CCCCCCSCCOCC#N 62a_200000047693_100000210757 [0,1,0,0,0,0|2,0,1]=4 5418 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [0,1,0,0,0,0|2,0,0]=3 5419 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [0,1,0,0,0,0|2,0,0]=3 5420 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,1,0,0,0,0|1,0,0]=2 5421 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,1,0,0,0,0|1,0,0]=2 5422 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [0,1,0,0,0,0|2,0,0]=3 5423 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [0,1,0,0,0,0|2,0,0]=3 5424 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,1,0,0,0,0|2,0,0]=3 5425 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,1,0,0,0,0|2,0,0]=3 5426 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,1,0,0,0,0|1,0,1]=3 5427 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,1,0,0,0,0|0,0,2]=3 5428 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,1,0,0,0,0|1,0,0]=2 5429 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,1,0,0,0,0|0,0,0]=1 5430 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,1,0,0,0,0|0,0,0]=1 5431 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,1,0,0,0,0|0,0,0]=1 5432 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,1,0,0,0,0|1,0,0]=2 5433 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,1,0,0,0,0|1,0,0]=2 5434 B12R0.5 CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210326 [0,1,0,0,0,0|3,0,0]=4 5435 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [0,1,0,0,0,0|2,0,0]=3 5436 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [0,1,0,0,0,0|2,0,0]=3 5437 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [0,1,0,0,0,0|2,0,0]=3 5438 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [0,1,0,0,0,0|2,0,0]=3 5439 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [0,1,0,0,0,0|2,0,0]=3 5440 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,1,0,0,0,0|1,0,0]=2 5441 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,1,0,0,0,0|2,0,0]=3 5442 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,1,0,0,0,0|2,0,0]=3 5443 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,1,0,0,0,0|2,0,0]=3 5444 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,1,0,0,0,0|2,0,0]=3 5445 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [0,1,0,0,0,0|2,1,0]=4 5446 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [0,1,0,0,0,0|2,0,0]=3 5447 B12R0.5 CCCCCNN=CCCCCO 4a_100000694160_100000031955 [0,1,0,0,0,0|1,0,1]=3 5448 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,1,0,0,0,0|1,0,1]=3 5449 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,1,0,0,0,0|0,0,2]=3 5450 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,1,0,0,0,0|1,0,0]=2 5451 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,1,0,0,0,0|1,0,0]=2 5452 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,1,0,0,0,0|1,0,0]=2 5453 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,1,0,0,0,0|1,0,0]=2 5454 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,1,0,0,0,0|1,0,0]=2 5455 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,1,0,0,0,0|1,0,0]=2 5456 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,1,0,0,0,0|1,0,0]=2 5457 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,1,0,0,0,0|1,0,0]=2 5458 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,1,0,0,0,0|1,0,0]=2 5459 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,1,0,0,0,0|0,0,0]=1 5460 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,1,0,0,0,0|0,0,0]=1 5461 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,1,0,0,0,0|2,0,0]=3 5462 B12R0.5 CCCCCOCCOCCC#N 7a_100011215259_100000184422 [0,1,0,0,0,0|2,0,1]=4 5463 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [0,1,0,0,0,0|2,0,0]=3 5464 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [0,1,0,0,0,0|2,0,0]=3 5465 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [0,1,0,0,0,0|2,0,0]=3 5466 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [0,1,0,0,0,0|2,0,0]=3 5467 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [0,1,0,0,0,0|2,0,0]=3 5468 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [0,1,0,0,0,0|2,0,0]=3 5469 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [0,1,0,0,0,0|2,0,0]=3 5470 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [0,1,0,0,0,0|2,0,0]=3 5471 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,1,0,0,0,0|1,0,0]=2 5472 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,1,0,0,0,0|1,0,0]=2 5473 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [0,1,0,0,0,0|3,0,0]=4 5474 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,1,0,0,0,0|2,0,0]=3 5475 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,1,0,0,0,0|2,0,0]=3 5476 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,1,0,0,0,0|2,0,0]=3 5477 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,1,0,0,0,0|2,0,0]=3 5478 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,1,0,0,0,0|2,0,0]=3 5479 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,1,0,0,0,0|2,0,0]=3 5480 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [0,1,0,0,0,0|2,1,0]=4 5481 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [0,1,0,0,0,0|2,1,0]=4 5482 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [0,1,0,0,0,0|2,0,0]=3 5483 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [0,1,0,0,0,0|2,0,0]=3 5484 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,1,0,0,0,0|1,0,1]=3 5485 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,1,0,0,0,0|1,0,1]=3 5486 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,1,0,0,0,0|0,0,2]=3 5487 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,1,0,0,0,0|0,0,2]=3 5488 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,1,0,0,0,0|1,0,0]=2 5489 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,1,0,0,0,0|1,0,0]=2 5490 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,1,0,0,0,0|0,0,0]=1 5491 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,1,0,0,0,0|0,0,0]=1 5492 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [0,1,0,0,0,0|2,0,0]=3 5493 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [0,1,0,0,0,0|2,0,0]=3 5494 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,1,0,0,0,0|2,0,0]=3 5495 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,1,0,0,0,0|2,0,0]=3 5496 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,1,0,0,0,0|1,0,1]=3 5497 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,1,0,0,0,0|1,0,1]=3 5498 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,1,0,0,0,0|0,0,0]=1 5499 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,1,0,0,0,0|0,0,0]=1 5500 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,1,0,0,0,0|0,0,0]=1 5501 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,1,0,0,0,0|0,0,0]=1 5502 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,1,0,0,0,0|1,0,0]=2 5503 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,1,0,0,0,0|1,0,0]=2 5504 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,1,0,0,0,0|1,0,2]=4 5505 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [0,1,0,0,0,0|2,0,0]=3 5506 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [0,1,0,0,0,0|2,0,0]=3 5507 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,1,0,0,0,0|1,0,0]=2 5508 B12R0.5 CCCCNCCCCOCSC 34a_200011216965_100011218213 [0,1,0,0,0,0|2,1,0]=4 5509 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [0,1,0,0,0,0|2,0,0]=3 5510 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [0,1,0,0,0,0|2,0,0]=3 5511 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,1,0,0,0,0|1,0,0]=2 5512 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,1,0,0,0,0|1,0,0]=2 5513 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,1,0,0,0,0|2,0,0]=3 5514 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,1,0,0,0,0|2,0,0]=3 5515 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,1,0,0,0,0|2,0,0]=3 5516 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,1,0,0,0,0|2,0,0]=3 5517 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [0,1,0,0,0,0|3,0,0]=4 5518 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [0,1,0,0,0,0|3,0,0]=4 5519 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [0,1,0,0,0,0|3,0,0]=4 5520 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [0,1,0,0,0,0|3,0,0]=4 5521 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,1,0,0,0,0|1,0,1]=3 5522 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,1,0,0,0,0|1,0,0]=2 5523 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,1,0,0,0,0|1,0,0]=2 5524 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,1,0,0,0,0|1,0,0]=2 5525 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,1,0,0,0,0|0,0,0]=1 5526 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,1,0,0,0,0|0,0,0]=1 5527 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,1,0,0,0,0|1,0,0]=2 5528 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,1,0,0,0,0|1,0,0]=2 5529 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,1,0,0,0,0|1,0,0]=2 5530 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,1,0,0,0,0|1,0,0]=2 5531 B12R0.5 CCCCOCCCCOCC#N 7a_200000760531_100011215382 [0,1,0,0,0,0|2,0,1]=4 5532 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,1,0,0,0,0|1,0,2]=4 5533 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,1,0,0,0,0|1,0,2]=4 5534 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,1,0,0,0,0|2,0,0]=3 5535 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,1,0,0,0,0|2,0,0]=3 5536 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [0,1,0,0,0,0|2,0,0]=3 5537 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [0,1,0,0,0,0|2,0,0]=3 5538 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,1,0,0,0,0|1,0,0]=2 5539 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,1,0,0,0,0|1,0,0]=2 5540 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [0,1,0,0,0,0|2,1,0]=4 5541 B12R0.5 CCCCOCCCNCCC#N 2230a_200000211371_100011215226 [0,1,0,0,0,0|2,0,1]=4 5542 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [0,1,0,0,0,0|2,0,0]=3 5543 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [0,1,0,0,0,0|2,0,0]=3 5544 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,1,0,0,0,0|1,0,0]=2 5545 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,1,0,0,0,0|1,0,0]=2 5546 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,1,0,0,0,0|2,0,0]=3 5547 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,1,0,0,0,0|2,0,0]=3 5548 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [0,1,0,0,0,0|2,1,0]=4 5549 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [0,1,0,0,0,0|2,1,0]=4 5550 B12R0.5 CCCCOCCCOCCC#N 7a_200011215613_100000184422 [0,1,0,0,0,0|2,0,1]=4 5551 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [0,1,0,0,0,0|2,0,0]=3 5552 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [0,1,0,0,0,0|2,0,0]=3 5553 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [0,1,0,0,0,0|2,0,0]=3 5554 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [0,1,0,0,0,0|2,0,0]=3 5555 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [0,1,0,0,0,0|2,0,0]=3 5556 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,1,0,0,0,0|1,0,0]=2 5557 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,1,0,0,0,0|1,0,0]=2 5558 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,1,0,0,0,0|2,0,0]=3 5559 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,1,0,0,0,0|2,0,0]=3 5560 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,1,0,0,0,0|2,0,0]=3 5561 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,1,0,0,0,0|2,0,0]=3 5562 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [0,1,0,0,0,0|2,1,0]=4 5563 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [0,1,0,0,0,0|2,1,0]=4 5564 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,1,0,0,0,0|1,0,0]=2 5565 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,1,0,0,0,0|1,0,0]=2 5566 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [0,1,0,0,0,0|2,0,0]=3 5567 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [0,1,0,0,0,0|2,1,0]=4 5568 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [0,1,0,0,0,0|3,0,0]=4 5569 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [0,1,0,0,0,0|3,0,0]=4 5570 B12R0.5 CCCCOCCNCCSCC 2230a_100000106463_100000743108 [0,1,0,0,0,0|3,0,0]=4 5571 B12R0.5 CCCCOCCOCC#CCO 34a_100000210238_200000047223 [0,1,0,0,0,0|1,0,2]=4 5572 B12R0.5 CCCCOCCOCC#CCO 7a_100000210238_200000047223 [0,1,0,0,0,0|1,0,2]=4 5573 B12R0.5 CCCCOCCOCCCC#N 7a_100000210238_100000687738 [0,1,0,0,0,0|2,0,1]=4 5574 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,1,0,0,0,0|1,0,2]=4 5575 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [0,1,0,0,0,0|2,0,0]=3 5576 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [0,1,0,0,0,0|2,0,0]=3 5577 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [0,1,0,0,0,0|2,0,0]=3 5578 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [0,1,0,0,0,0|2,0,0]=3 5579 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [0,1,0,0,0,0|2,0,0]=3 5580 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [0,1,0,0,0,0|2,0,0]=3 5581 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [0,1,0,0,0,0|2,0,0]=3 5582 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [0,1,0,0,0,0|2,0,0]=3 5583 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [0,1,0,0,0,0|2,0,0]=3 5584 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,1,0,0,0,0|1,0,0]=2 5585 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,1,0,0,0,0|1,0,0]=2 5586 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [0,1,0,0,0,0|3,0,0]=4 5587 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [0,1,0,0,0,0|2,0,0]=3 5588 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [0,1,0,0,0,0|2,0,0]=3 5589 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [0,1,0,0,0,0|2,0,0]=3 5590 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [0,1,0,0,0,0|2,1,0]=4 5591 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [0,1,0,0,0,0|2,1,0]=4 5592 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [0,1,0,0,0,0|3,0,0]=4 5593 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [0,1,0,0,0,0|3,0,0]=4 5594 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [0,1,0,0,0,0|3,0,0]=4 5595 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [0,1,0,0,0,0|3,0,0]=4 5596 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [0,1,0,0,0,0|3,0,0]=4 5597 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [0,1,0,0,0,0|3,0,0]=4 5598 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [0,1,0,0,0,0|3,0,0]=4 5599 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [0,1,0,0,0,0|3,0,0]=4 5600 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [0,1,0,0,0,0|3,0,0]=4 5601 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [0,1,0,0,0,0|3,0,0]=4 5602 B12R0.5 CCCCOCCOCCOCF 34a_100011215186_100015361967 [0,1,0,0,0,0|3,0,0]=4 5603 B12R0.5 CCCCOCCOCCOCF 7a_100011215186_100015361967 [0,1,0,0,0,0|3,0,0]=4 5604 B12R0.5 CCCCOCCOCCSCC 34a_100000210238_100000757381 [0,1,0,0,0,0|3,0,0]=4 5605 B12R0.5 CCCCOCCOCCSCC 34a_100000212035_100000743108 [0,1,0,0,0,0|3,0,0]=4 5606 B12R0.5 CCCCOCCOCCSCC 7a_100000210238_100000757381 [0,1,0,0,0,0|3,0,0]=4 5607 B12R0.5 CCCCOCCOCCSCC 7a_100000212035_100000743108 [0,1,0,0,0,0|3,0,0]=4 5608 B12R0.5 CCCCOCCSCC#CCO 62a_100000743108_200000047223 [0,1,0,0,0,0|1,0,2]=4 5609 B12R0.5 CCCCOCCSCC#CCO 62a_200000047223_100000743108 [0,1,0,0,0,0|1,0,2]=4 5610 B12R0.5 CCCCOCCSCCCC#N 62a_100000687738_100000743108 [0,1,0,0,0,0|2,0,1]=4 5611 B12R0.5 CCCCOCCSCCCC#N 62a_100000743108_100000687738 [0,1,0,0,0,0|2,0,1]=4 5612 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,1,0,0,0,0|1,0,2]=4 5613 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,1,0,0,0,0|1,0,2]=4 5614 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [0,1,0,0,0,0|2,0,0]=3 5615 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [0,1,0,0,0,0|2,0,0]=3 5616 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,1,0,0,0,0|1,0,0]=2 5617 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,1,0,0,0,0|1,0,0]=2 5618 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [0,1,0,0,0,0|2,0,0]=3 5619 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [0,1,0,0,0,0|2,0,0]=3 5620 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [0,1,0,0,0,0|3,0,0]=4 5621 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [0,1,0,0,0,0|3,0,0]=4 5622 B12R0.5 CCCCOCCSCCSCC 62a_100000743108_100000757381 [0,1,0,0,0,0|3,0,0]=4 5623 B12R0.5 CCCCOCCSCCSCC 62a_100000757381_100000743108 [0,1,0,0,0,0|3,0,0]=4 5624 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,1,0,0,0,0|1,0,0]=2 5625 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,1,0,0,0,0|1,0,0]=2 5626 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [0,1,0,0,0,0|3,0,0]=4 5627 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [0,1,0,0,0,0|3,0,0]=4 5628 B12R0.5 CCCCOCNCCOCCC 2230a_100161115042_100011995733 [0,1,0,0,0,0|3,0,0]=4 5629 B12R0.5 CCCCOCNCCOCCC 34a_100161115042_100011995733 [0,1,0,0,0,0|3,0,0]=4 5630 B12R0.5 CCCCOCNCCOCCO 2230a_100000211614_100011995733 [0,1,0,0,0,0|2,0,0]=3 5631 B12R0.5 CCCCOCNCCOCCO 34a_100000211614_100011995733 [0,1,0,0,0,0|2,0,0]=3 5632 B12R0.5 CCCCOCNCCSCCC 2230a_100020603323_100011995733 [0,1,0,0,0,0|3,0,0]=4 5633 B12R0.5 CCCCOCNCCSCCO 2230a_100011219999_100011995733 [0,1,0,0,0,0|2,0,0]=3 5634 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [0,1,0,0,0,0|2,0,0]=3 5635 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [0,1,0,0,0,0|2,0,0]=3 5636 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [0,1,0,0,0,0|2,0,0]=3 5637 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [0,1,0,0,0,0|2,0,0]=3 5638 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [0,1,0,0,0,0|2,0,0]=3 5639 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [0,1,0,0,0,0|2,1,0]=4 5640 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [0,1,0,0,0,0|3,0,0]=4 5641 B12R0.5 CCCCOCOCCCSCC 34a_100011216438_100011995733 [0,1,0,0,0,0|3,0,0]=4 5642 B12R0.5 CCCCOCOCCOCCBr 34a_100000692535_100011995733 [0,1,0,0,0,0|3,0,0]=4 5643 B12R0.5 CCCCOCOCCOCCC 34a_100000752267_100011995733 [0,1,0,0,0,0|3,0,0]=4 5644 B12R0.5 CCCCOCOCCOCCCl 34a_100011215305_100011995733 [0,1,0,0,0,0|3,0,0]=4 5645 B12R0.5 CCCCOCOCCOCCF 34a_200015357709_100011995733 [0,1,0,0,0,0|3,0,0]=4 5646 B12R0.5 CCCCOCOCCOCCI 34a_100012149058_100011995733 [0,1,0,0,0,0|3,0,0]=4 5647 B12R0.5 CCCCOCOCCOCCN 34a_100000211614_100011995733 [0,1,0,0,0,0|3,0,0]=4 5648 B12R0.5 CCCCOCOCCSCCC 34a_200000230433_100011995733 [0,1,0,0,0,0|3,0,0]=4 5649 B12R0.5 CCCCOCSCCCCC#N 62a_100011219923_100011995733 [0,1,0,0,0,0|2,0,1]=4 5650 B12R0.5 CCCCOCSCCCCC#N 62a_100011995733_100000211819 [0,1,0,0,0,0|2,0,1]=4 5651 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,1,0,0,0,0|1,0,2]=4 5652 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,1,0,0,0,0|1,0,2]=4 5653 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [0,1,0,0,0,0|2,0,0]=3 5654 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [0,1,0,0,0,0|2,0,0]=3 5655 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,1,0,0,0,0|1,0,0]=2 5656 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,1,0,0,0,0|1,0,0]=2 5657 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [0,1,0,0,0,0|2,0,0]=3 5658 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [0,1,0,0,0,0|2,0,0]=3 5659 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [0,1,0,0,0,0|3,0,0]=4 5660 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [0,1,0,0,0,0|3,0,0]=4 5661 B12R0.5 CCCCOCSCCOCCC 62a_100011215938_100011995733 [0,1,0,0,0,0|3,0,0]=4 5662 B12R0.5 CCCCOCSCCOCCC 62a_100011995733_100011215938 [0,1,0,0,0,0|3,0,0]=4 5663 B12R0.5 CCCCOCSCCOCCO 62a_100011215305_100011995733 [0,1,0,0,0,0|2,0,0]=3 5664 B12R0.5 CCCCOCSCCOCCO 62a_100011995733_100011215305 [0,1,0,0,0,0|2,0,0]=3 5665 B12R0.5 CCCCOCSCOCCCC 62a_100011995733_100011995733 [0,1,0,0,0,0|3,0,0]=4 5666 B12R0.5 CCCCOCSCOCCOC 62a_100000231047_100011995733 [0,1,0,0,0,0|3,0,0]=4 5667 B12R0.5 CCCCOCSCOCCOC 62a_100011995733_100000231047 [0,1,0,0,0,0|3,0,0]=4 5668 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,1,0,0,0,0|1,0,1]=3 5669 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,1,0,0,0,0|1,0,1]=3 5670 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,1,0,0,0,0|0,0,0]=1 5671 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,1,0,0,0,0|0,0,0]=1 5672 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,1,0,0,0,0|1,0,0]=2 5673 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,1,0,0,0,0|1,0,0]=2 5674 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,1,0,0,0,0|2,0,0]=3 5675 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,1,0,0,0,0|2,0,0]=3 5676 B12R0.5 CCCCSCCNCC#CCO 2230a_100025743550_200000047223 [0,1,0,0,0,0|1,0,2]=4 5677 B12R0.5 CCCCSCCNCCCC#N 2230a_100025743550_100000687738 [0,1,0,0,0,0|2,0,1]=4 5678 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,1,0,0,0,0|1,0,2]=4 5679 B12R0.5 CCCCSCCNCCCCF 2230a_100025743550_100000729493 [0,1,0,0,0,0|2,0,0]=3 5680 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,1,0,0,0,0|1,0,0]=2 5681 B12R0.5 CCCCSCCNCCCOC 2230a_100025743550_100000740836 [0,1,0,0,0,0|2,0,0]=3 5682 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [0,1,0,0,0,0|3,0,0]=4 5683 B12R0.5 CCCCSCCNCCSCC 2230a_100025743550_100000757381 [0,1,0,0,0,0|3,0,0]=4 5684 B12R0.5 CCCCSCCOCC#CCO 34a_200000230436_200000047223 [0,1,0,0,0,0|1,0,2]=4 5685 B12R0.5 CCCCSCCOCC#CCO 7a_200000230436_200000047223 [0,1,0,0,0,0|1,0,2]=4 5686 B12R0.5 CCCCSCCOCCCC#N 7a_200000230436_100000687738 [0,1,0,0,0,0|2,0,1]=4 5687 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,1,0,0,0,0|1,0,2]=4 5688 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [0,1,0,0,0,0|2,0,0]=3 5689 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [0,1,0,0,0,0|2,0,0]=3 5690 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,1,0,0,0,0|1,0,0]=2 5691 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,1,0,0,0,0|1,0,0]=2 5692 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [0,1,0,0,0,0|2,0,0]=3 5693 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [0,1,0,0,0,0|2,0,0]=3 5694 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [0,1,0,0,0,0|3,0,0]=4 5695 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [0,1,0,0,0,0|3,0,0]=4 5696 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [0,1,0,0,0,0|3,0,0]=4 5697 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [0,1,0,0,0,0|3,0,0]=4 5698 B12R0.5 CCCCSCCOCCSCC 34a_200000230436_100000757381 [0,1,0,0,0,0|3,0,0]=4 5699 B12R0.5 CCCCSCCOCCSCC 7a_200000230436_100000757381 [0,1,0,0,0,0|3,0,0]=4 5700 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,1,0,0,0,0|0,0,0]=1 5701 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,1,0,0,0,0|0,0,0]=1 5702 B12R0.5 CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210303 [0,1,0,0,0,0|3,0,0]=4 5703 B12R0.5 CCCNCCOCCOCCC 2230a_200011904461_100000210303 [0,1,0,0,0,0|3,0,0]=4 5704 B12R0.5 CCCNCCOCCOCCC 34a_200011904461_100000210303 [0,1,0,0,0,0|3,0,0]=4 5705 B12R0.5 CCCNCCOCCOCCO 2230a_100011998139_100000210303 [0,1,0,0,0,0|2,0,0]=3 5706 B12R0.5 CCCNCCOCCOCCO 34a_100011998139_100000210303 [0,1,0,0,0,0|2,0,0]=3 5707 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,1,0,0,0,0|1,0,0]=2 5708 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,1,0,0,0,0|1,0,0]=2 5709 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,1,0,0,0,0|1,0,0]=2 5710 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,1,0,0,0,0|1,0,0]=2 5711 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,1,0,0,0,0|1,0,0]=2 5712 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,1,0,0,0,0|0,0,0]=1 5713 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [0,1,0,0,0,0|2,0,0]=3 5714 B12R0.5 CCCOCCCNCC#CCO 2230a_100011217757_200000047223 [0,1,0,0,0,0|1,0,2]=4 5715 B12R0.5 CCCOCCCNCC#CCO 34a_100011217757_200000047223 [0,1,0,0,0,0|1,0,2]=4 5716 B12R0.5 CCCOCCCNCCCC#N 2230a_100011217757_100000687738 [0,1,0,0,0,0|2,0,1]=4 5717 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,1,0,0,0,0|1,0,2]=4 5718 B12R0.5 CCCOCCCNCCCCF 2230a_100011217757_100000729493 [0,1,0,0,0,0|2,0,0]=3 5719 B12R0.5 CCCOCCCNCCCCF 34a_100011217757_100000729493 [0,1,0,0,0,0|2,0,0]=3 5720 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,1,0,0,0,0|1,0,0]=2 5721 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,1,0,0,0,0|1,0,0]=2 5722 B12R0.5 CCCOCCCNCCCOC 2230a_100011217757_100000740836 [0,1,0,0,0,0|2,0,0]=3 5723 B12R0.5 CCCOCCCNCCCOC 34a_100011217757_100000740836 [0,1,0,0,0,0|2,0,0]=3 5724 B12R0.5 CCCOCCCNCCOCC 2230a_100011217757_100011215890 [0,1,0,0,0,0|3,0,0]=4 5725 B12R0.5 CCCOCCCNCCOCC 34a_100011217757_100000210147 [0,1,0,0,0,0|3,0,0]=4 5726 B12R0.5 CCCOCCCNCCSCC 2230a_100011217757_100000757381 [0,1,0,0,0,0|3,0,0]=4 5727 B12R0.5 CCCOCCCNCCSCC 34a_100011217757_100000757381 [0,1,0,0,0,0|3,0,0]=4 5728 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [0,1,0,0,0,0|2,0,0]=3 5729 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [0,1,0,0,0,0|2,0,0]=3 5730 B12R0.5 CCCOCCNCCCCC#N 2230a_100161115042_100000211819 [0,1,0,0,0,0|2,0,1]=4 5731 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,1,0,0,0,0|1,0,2]=4 5732 B12R0.5 CCCOCCNCCCCCF 2230a_100161115042_100000729378 [0,1,0,0,0,0|2,0,0]=3 5733 B12R0.5 CCCOCCNCCCCCF 34a_100161115042_100000729378 [0,1,0,0,0,0|2,0,0]=3 5734 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,1,0,0,0,0|1,0,0]=2 5735 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,1,0,0,0,0|1,0,0]=2 5736 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,1,0,0,0,0|1,0,0]=2 5737 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,1,0,0,0,0|1,0,0]=2 5738 B12R0.5 CCCOCCNCCCCOC 2230a_100161115042_100000730899 [0,1,0,0,0,0|2,0,0]=3 5739 B12R0.5 CCCOCCNCCCCOC 34a_100161115042_100000755781 [0,1,0,0,0,0|2,0,0]=3 5740 B12R0.5 CCCOCCNCCCOCC 2230a_100000210961_100011215938 [0,1,0,0,0,0|3,0,0]=4 5741 B12R0.5 CCCOCCNCCCOCC 2230a_100161115042_100012232248 [0,1,0,0,0,0|3,0,0]=4 5742 B12R0.5 CCCOCCNCCCOCC 34a_100000210961_100011215938 [0,1,0,0,0,0|3,0,0]=4 5743 B12R0.5 CCCOCCNCCCOCC 34a_100161115042_100012232248 [0,1,0,0,0,0|3,0,0]=4 5744 B12R0.5 CCCOCCNCCOCCC 2230a_100161115042_100011215938 [0,1,0,0,0,0|3,0,0]=4 5745 B12R0.5 CCCOCCNCCOCCC 34a_100161115042_100011215938 [0,1,0,0,0,0|3,0,0]=4 5746 B12R0.5 CCCOCCNCCOCCO 2230a_100000211614_100011215938 [0,1,0,0,0,0|2,0,0]=3 5747 B12R0.5 CCCOCCNCCOCCO 2230a_100161115042_100011215305 [0,1,0,0,0,0|2,0,0]=3 5748 B12R0.5 CCCOCCNCCOCCO 34a_100000211614_100011215938 [0,1,0,0,0,0|2,0,0]=3 5749 B12R0.5 CCCOCCNCCOCCO 34a_100161115042_100000692535 [0,1,0,0,0,0|2,0,0]=3 5750 B12R0.5 CCCOCCNCCSCCC 2230a_100020603323_100011215938 [0,1,0,0,0,0|3,0,0]=4 5751 B12R0.5 CCCOCCNCCSCCO 2230a_100011219999_100011215938 [0,1,0,0,0,0|2,0,0]=3 5752 B12R0.5 CCCOCCNCOCCOC 2230a_100161115042_100000231047 [0,1,0,0,0,0|3,0,0]=4 5753 B12R0.5 CCCOCCOCCCCC#N 7a_100000752267_100000211819 [0,1,0,0,0,0|2,0,1]=4 5754 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,1,0,0,0,0|1,0,2]=4 5755 B12R0.5 CCCOCCOCCCCCBr 34a_100000746331_100011215938 [0,1,0,0,0,0|2,0,0]=3 5756 B12R0.5 CCCOCCOCCCCCBr 7a_100000746331_100011215938 [0,1,0,0,0,0|2,0,0]=3 5757 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [0,1,0,0,0,0|2,0,0]=3 5758 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [0,1,0,0,0,0|2,0,0]=3 5759 B12R0.5 CCCOCCOCCCCCF 34a_100000752267_100000729378 [0,1,0,0,0,0|2,0,0]=3 5760 B12R0.5 CCCOCCOCCCCCF 7a_100000752267_100000729378 [0,1,0,0,0,0|2,0,0]=3 5761 B12R0.5 CCCOCCOCCCCCI 34a_200012148887_100011215938 [0,1,0,0,0,0|2,0,0]=3 5762 B12R0.5 CCCOCCOCCCCCI 7a_200012148887_100011215938 [0,1,0,0,0,0|2,0,0]=3 5763 B12R0.5 CCCOCCOCCCCCN 34a_100000762737_100011215938 [0,1,0,0,0,0|2,0,0]=3 5764 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,1,0,0,0,0|1,0,0]=2 5765 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,1,0,0,0,0|1,0,0]=2 5766 B12R0.5 CCCOCCOCCCCOC 34a_100000740925_100011215938 [0,1,0,0,0,0|2,0,0]=3 5767 B12R0.5 CCCOCCOCCCCOC 34a_100000752267_100000755781 [0,1,0,0,0,0|2,0,0]=3 5768 B12R0.5 CCCOCCOCCCCOC 7a_100000752267_100000730899 [0,1,0,0,0,0|2,0,0]=3 5769 B12R0.5 CCCOCCOCCCCSC 34a_100011217163_100011215938 [0,1,0,0,0,0|2,1,0]=4 5770 B12R0.5 CCCOCCOCCCCSC 7a_100011217163_100011215938 [0,1,0,0,0,0|2,1,0]=4 5771 B12R0.5 CCCOCCOCCCOCC 34a_100000752267_100012232248 [0,1,0,0,0,0|3,0,0]=4 5772 B12R0.5 CCCOCCOCCCOCC 34a_100000757476_100011215938 [0,1,0,0,0,0|3,0,0]=4 5773 B12R0.5 CCCOCCOCCCOCC 7a_100000752267_100012232248 [0,1,0,0,0,0|3,0,0]=4 5774 B12R0.5 CCCOCCOCCCOCC 7a_100000757476_100011215938 [0,1,0,0,0,0|3,0,0]=4 5775 B12R0.5 CCCOCCOCCCSCC 34a_100011216438_100011215938 [0,1,0,0,0,0|3,0,0]=4 5776 B12R0.5 CCCOCCOCCCSCC 7a_100011216438_100011215938 [0,1,0,0,0,0|3,0,0]=4 5777 B12R0.5 CCCOCCOCCNCCF 2230a_200011904461_100011217306 [0,1,0,0,0,0|3,0,0]=4 5778 B12R0.5 CCCOCCOCCNCCF 34a_200011904461_100011217306 [0,1,0,0,0,0|3,0,0]=4 5779 B12R0.5 CCCOCCOCCNCCO 2230a_200011904461_100000211926 [0,1,0,0,0,0|2,0,0]=3 5780 B12R0.5 CCCOCCOCCNCCO 34a_200011904461_100000211926 [0,1,0,0,0,0|2,0,0]=3 5781 B12R0.5 CCCOCCOCCNCOC 2230a_200011904461_100000766300 [0,1,0,0,0,0|3,0,0]=4 5782 B12R0.5 CCCOCCOCCOCCBr 34a_100000692535_100011215938 [0,1,0,0,0,0|3,0,0]=4 5783 B12R0.5 CCCOCCOCCOCCBr 34a_100010132937_100000210303 [0,1,0,0,0,0|3,0,0]=4 5784 B12R0.5 CCCOCCOCCOCCBr 7a_100000692535_100011215938 [0,1,0,0,0,0|3,0,0]=4 5785 B12R0.5 CCCOCCOCCOCCBr 7a_100010132937_100000210303 [0,1,0,0,0,0|3,0,0]=4 5786 B12R0.5 CCCOCCOCCOCCC 34a_100000752267_100011215938 [0,1,0,0,0,0|3,0,0]=4 5787 B12R0.5 CCCOCCOCCOCCC 7a_100000752267_100011215938 [0,1,0,0,0,0|3,0,0]=4 5788 B12R0.5 CCCOCCOCCOCCCl 34a_100000032323_100000210303 [0,1,0,0,0,0|3,0,0]=4 5789 B12R0.5 CCCOCCOCCOCCCl 34a_100011215305_100011215938 [0,1,0,0,0,0|3,0,0]=4 5790 B12R0.5 CCCOCCOCCOCCCl 7a_100000032323_100000210303 [0,1,0,0,0,0|3,0,0]=4 5791 B12R0.5 CCCOCCOCCOCCCl 7a_100011215305_100011215938 [0,1,0,0,0,0|3,0,0]=4 5792 B12R0.5 CCCOCCOCCOCCF 34a_200015357709_100011215938 [0,1,0,0,0,0|3,0,0]=4 5793 B12R0.5 CCCOCCOCCOCCF 7a_200015357709_100011215938 [0,1,0,0,0,0|3,0,0]=4 5794 B12R0.5 CCCOCCOCCOCCI 34a_100012149058_100011215938 [0,1,0,0,0,0|3,0,0]=4 5795 B12R0.5 CCCOCCOCCOCCI 7a_100012149058_100011215938 [0,1,0,0,0,0|3,0,0]=4 5796 B12R0.5 CCCOCCOCCOCCN 34a_100000211614_100011215938 [0,1,0,0,0,0|3,0,0]=4 5797 B12R0.5 CCCOCCOCCOCCN 34a_100011998139_100000210303 [0,1,0,0,0,0|3,0,0]=4 5798 B12R0.5 CCCOCCOCCOCCO 34a_100000210258_100000032323 [0,1,0,0,0,0|2,0,0]=3 5799 B12R0.5 CCCOCCOCCOCCO 34a_100000752267_100000692535 [0,1,0,0,0,0|2,0,0]=3 5800 B12R0.5 CCCOCCOCCOCCO 7a_100000752267_100011215305 [0,1,0,0,0,0|2,0,0]=3 5801 B12R0.5 CCCOCCOCCSCCC 34a_200000230433_100011215938 [0,1,0,0,0,0|3,0,0]=4 5802 B12R0.5 CCCOCCOCCSCCC 7a_200000230433_100011215938 [0,1,0,0,0,0|3,0,0]=4 5803 B12R0.5 CCCOCCSCCCCC#N 62a_100011215938_100000211819 [0,1,0,0,0,0|2,0,1]=4 5804 B12R0.5 CCCOCCSCCCCC#N 62a_100011219923_100011215938 [0,1,0,0,0,0|2,0,1]=4 5805 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,1,0,0,0,0|1,0,2]=4 5806 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,1,0,0,0,0|1,0,2]=4 5807 B12R0.5 CCCOCCSCCCCCF 62a_100000729378_100011215938 [0,1,0,0,0,0|2,0,0]=3 5808 B12R0.5 CCCOCCSCCCCCF 62a_100011215938_100000729378 [0,1,0,0,0,0|2,0,0]=3 5809 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,1,0,0,0,0|1,0,0]=2 5810 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,1,0,0,0,0|1,0,0]=2 5811 B12R0.5 CCCOCCSCCCCOC 62a_100000730899_100011215938 [0,1,0,0,0,0|2,0,0]=3 5812 B12R0.5 CCCOCCSCCCCOC 62a_100011215938_100000730899 [0,1,0,0,0,0|2,0,0]=3 5813 B12R0.5 CCCOCCSCCCOCC 62a_100011215938_100012232248 [0,1,0,0,0,0|3,0,0]=4 5814 B12R0.5 CCCOCCSCCCOCC 62a_100012232248_100011215938 [0,1,0,0,0,0|3,0,0]=4 5815 B12R0.5 CCCOCCSCCOCCC 62a_100011215938_100011215938 [0,1,0,0,0,0|3,0,0]=4 5816 B12R0.5 CCCOCCSCCOCCO 62a_100011215305_100011215938 [0,1,0,0,0,0|2,0,0]=3 5817 B12R0.5 CCCOCCSCCOCCO 62a_100011215938_100011215305 [0,1,0,0,0,0|2,0,0]=3 5818 B12R0.5 CCCOCCSCOCCOC 62a_100000231047_100011215938 [0,1,0,0,0,0|3,0,0]=4 5819 B12R0.5 CCCOCCSCOCCOC 62a_100011215938_100000231047 [0,1,0,0,0,0|3,0,0]=4 5820 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,1,0,0,0,0|0,0,0]=1 5821 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,1,0,0,0,0|0,0,0]=1 5822 B12R0.5 CCCSCCNCCCCC#N 2230a_100020603323_100000211819 [0,1,0,0,0,0|2,0,1]=4 5823 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,1,0,0,0,0|1,0,2]=4 5824 B12R0.5 CCCSCCNCCCCCF 2230a_100020603323_100000729378 [0,1,0,0,0,0|2,0,0]=3 5825 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,1,0,0,0,0|1,0,0]=2 5826 B12R0.5 CCCSCCNCCCCOC 2230a_100020603323_100000730899 [0,1,0,0,0,0|2,0,0]=3 5827 B12R0.5 CCCSCCNCCCOCC 2230a_100020603323_100012232248 [0,1,0,0,0,0|3,0,0]=4 5828 B12R0.5 CCCSCCNCCOCCO 2230a_100020603323_100011215305 [0,1,0,0,0,0|2,0,0]=3 5829 B12R0.5 CCCSCCNCOCCOC 2230a_100020603323_100000231047 [0,1,0,0,0,0|3,0,0]=4 5830 B12R0.5 CCCSCCOCCCCC#N 7a_200000230433_100000211819 [0,1,0,0,0,0|2,0,1]=4 5831 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,1,0,0,0,0|1,0,2]=4 5832 B12R0.5 CCCSCCOCCCCCF 34a_200000230433_100000729378 [0,1,0,0,0,0|2,0,0]=3 5833 B12R0.5 CCCSCCOCCCCCF 7a_200000230433_100000729378 [0,1,0,0,0,0|2,0,0]=3 5834 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,1,0,0,0,0|1,0,0]=2 5835 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,1,0,0,0,0|1,0,0]=2 5836 B12R0.5 CCCSCCOCCCCOC 34a_200000230433_100000755781 [0,1,0,0,0,0|2,0,0]=3 5837 B12R0.5 CCCSCCOCCCCOC 7a_200000230433_100000730899 [0,1,0,0,0,0|2,0,0]=3 5838 B12R0.5 CCCSCCOCCCOCC 34a_200000230433_100012232248 [0,1,0,0,0,0|3,0,0]=4 5839 B12R0.5 CCCSCCOCCCOCC 7a_200000230433_100012232248 [0,1,0,0,0,0|3,0,0]=4 5840 B12R0.5 CCCSCCOCCOCCO 34a_200000230433_100000692535 [0,1,0,0,0,0|2,0,0]=3 5841 B12R0.5 CCCSCCOCCOCCO 62a_100000032323_100000210303 [0,1,0,0,0,0|2,0,0]=3 5842 B12R0.5 CCCSCCOCCOCCO 62a_100000210303_100000032323 [0,1,0,0,0,0|2,0,0]=3 5843 B12R0.5 CCCSCCOCCOCCO 7a_200000230433_100011215305 [0,1,0,0,0,0|2,0,0]=3 5844 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,1,0,0,0,0|0,0,0]=1 5845 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,1,0,0,0,0|0,0,0]=1 5846 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,1,0,0,0,0|0,0,0]=1 5847 B12R0.5 CCNCCCOCCOCCO 2230a_100011996194_100000210202 [0,1,0,0,0,0|2,0,0]=3 5848 B12R0.5 CCNCCCOCCOCCO 34a_100011996194_100000210202 [0,1,0,0,0,0|2,0,0]=3 5849 B12R0.5 CCNCCOCCOCCOC 2230a_100012028300_100000210202 [0,1,0,0,0,0|3,0,0]=4 5850 B12R0.5 CCNCCOCCOCCOC 2230a_100015525214_100013367474 [0,1,0,0,0,0|3,0,0]=4 5851 B12R0.5 CCNCCOCCOCCOC 34a_100012028300_100000210202 [0,1,0,0,0,0|3,0,0]=4 5852 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,1,0,0,0,0|1,0,0]=2 5853 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,1,0,0,0,0|1,0,0]=2 5854 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,1,0,0,0,0|1,0,0]=2 5855 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,1,0,0,0,0|1,0,0]=2 5856 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,1,0,0,0,0|1,0,0]=2 5857 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,1,0,0,0,0|0,0,0]=1 5858 B12R0.5 CCOCCCNCCCCC#N 2230a_100000210961_100000211819 [0,1,0,0,0,0|2,0,1]=4 5859 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,1,0,0,0,0|1,0,2]=4 5860 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [0,1,0,0,0,0|2,0,0]=3 5861 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [0,1,0,0,0,0|2,0,0]=3 5862 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,1,0,0,0,0|1,0,0]=2 5863 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,1,0,0,0,0|1,0,0]=2 5864 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,1,0,0,0,0|1,0,0]=2 5865 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,1,0,0,0,0|1,0,0]=2 5866 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,1,0,0,0,0|2,0,0]=3 5867 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,1,0,0,0,0|2,0,0]=3 5868 B12R0.5 CCOCCCNCCCOCC 2230a_100000210961_100012232248 [0,1,0,0,0,0|3,0,0]=4 5869 B12R0.5 CCOCCCNCCCOCC 34a_100000210961_100012232248 [0,1,0,0,0,0|3,0,0]=4 5870 B12R0.5 CCOCCCNCCOCCO 2230a_100000210961_100011215305 [0,1,0,0,0,0|2,0,0]=3 5871 B12R0.5 CCOCCCNCCOCCO 2230a_100000211614_100012232248 [0,1,0,0,0,0|2,0,0]=3 5872 B12R0.5 CCOCCCNCCOCCO 34a_100000210961_100000692535 [0,1,0,0,0,0|2,0,0]=3 5873 B12R0.5 CCOCCCNCCOCCO 34a_100000211614_100012232248 [0,1,0,0,0,0|2,0,0]=3 5874 B12R0.5 CCOCCCNCCSCCO 2230a_100011219999_100012232248 [0,1,0,0,0,0|2,0,0]=3 5875 B12R0.5 CCOCCCNCOCCOC 2230a_100000210961_100000231047 [0,1,0,0,0,0|3,0,0]=4 5876 B12R0.5 CCOCCCOCCCCC#N 7a_100000757476_100000211819 [0,1,0,0,0,0|2,0,1]=4 5877 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,1,0,0,0,0|1,0,2]=4 5878 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [0,1,0,0,0,0|2,0,0]=3 5879 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [0,1,0,0,0,0|2,0,0]=3 5880 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [0,1,0,0,0,0|2,0,0]=3 5881 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [0,1,0,0,0,0|2,0,0]=3 5882 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [0,1,0,0,0,0|2,0,0]=3 5883 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [0,1,0,0,0,0|2,0,0]=3 5884 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [0,1,0,0,0,0|2,0,0]=3 5885 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [0,1,0,0,0,0|2,0,0]=3 5886 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [0,1,0,0,0,0|2,0,0]=3 5887 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,1,0,0,0,0|1,0,0]=2 5888 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,1,0,0,0,0|1,0,0]=2 5889 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,1,0,0,0,0|2,0,0]=3 5890 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,1,0,0,0,0|2,0,0]=3 5891 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,1,0,0,0,0|2,0,0]=3 5892 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [0,1,0,0,0,0|2,1,0]=4 5893 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [0,1,0,0,0,0|2,1,0]=4 5894 B12R0.5 CCOCCCOCCCOCC 34a_100000757476_100012232248 [0,1,0,0,0,0|3,0,0]=4 5895 B12R0.5 CCOCCCOCCCOCC 7a_100000757476_100012232248 [0,1,0,0,0,0|3,0,0]=4 5896 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [0,1,0,0,0,0|3,0,0]=4 5897 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [0,1,0,0,0,0|3,0,0]=4 5898 B12R0.5 CCOCCCOCCOCCBr 34a_100000692535_100012232248 [0,1,0,0,0,0|3,0,0]=4 5899 B12R0.5 CCOCCCOCCOCCBr 7a_100000692535_100012232248 [0,1,0,0,0,0|3,0,0]=4 5900 B12R0.5 CCOCCCOCCOCCCl 34a_100011215305_100012232248 [0,1,0,0,0,0|3,0,0]=4 5901 B12R0.5 CCOCCCOCCOCCCl 7a_100011215305_100012232248 [0,1,0,0,0,0|3,0,0]=4 5902 B12R0.5 CCOCCCOCCOCCF 34a_200015357709_100012232248 [0,1,0,0,0,0|3,0,0]=4 5903 B12R0.5 CCOCCCOCCOCCF 7a_200015357709_100012232248 [0,1,0,0,0,0|3,0,0]=4 5904 B12R0.5 CCOCCCOCCOCCI 34a_100012149058_100012232248 [0,1,0,0,0,0|3,0,0]=4 5905 B12R0.5 CCOCCCOCCOCCI 7a_100012149058_100012232248 [0,1,0,0,0,0|3,0,0]=4 5906 B12R0.5 CCOCCCOCCOCCN 34a_100000211614_100012232248 [0,1,0,0,0,0|3,0,0]=4 5907 B12R0.5 CCOCCCOCCOCCO 34a_100000757476_100000692535 [0,1,0,0,0,0|2,0,0]=3 5908 B12R0.5 CCOCCCOCCOCCO 7a_100000757476_100011215305 [0,1,0,0,0,0|2,0,0]=3 5909 B12R0.5 CCOCCCSCCCCC#N 62a_100011219923_100012232248 [0,1,0,0,0,0|2,0,1]=4 5910 B12R0.5 CCOCCCSCCCCC#N 62a_100012232248_100000211819 [0,1,0,0,0,0|2,0,1]=4 5911 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,1,0,0,0,0|1,0,2]=4 5912 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,1,0,0,0,0|1,0,2]=4 5913 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [0,1,0,0,0,0|2,0,0]=3 5914 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [0,1,0,0,0,0|2,0,0]=3 5915 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,1,0,0,0,0|1,0,0]=2 5916 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,1,0,0,0,0|1,0,0]=2 5917 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,1,0,0,0,0|2,0,0]=3 5918 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,1,0,0,0,0|2,0,0]=3 5919 B12R0.5 CCOCCCSCCCOCC 62a_100012232248_100012232248 [0,1,0,0,0,0|3,0,0]=4 5920 B12R0.5 CCOCCCSCCOCCO 62a_100011215305_100012232248 [0,1,0,0,0,0|2,0,0]=3 5921 B12R0.5 CCOCCCSCCOCCO 62a_100012232248_100011215305 [0,1,0,0,0,0|2,0,0]=3 5922 B12R0.5 CCOCCCSCOCCOC 62a_100000231047_100012232248 [0,1,0,0,0,0|3,0,0]=4 5923 B12R0.5 CCOCCCSCOCCOC 62a_100012232248_100000231047 [0,1,0,0,0,0|3,0,0]=4 5924 B12R0.5 CCOCCNCCCCCC#N 2230a_102516460346_100009813376 [0,1,0,0,0,0|2,0,1]=4 5925 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,1,0,0,0,0|1,0,2]=4 5926 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [0,1,0,0,0,0|2,0,0]=3 5927 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [0,1,0,0,0,0|2,0,0]=3 5928 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,1,0,0,0,0|1,0,0]=2 5929 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,1,0,0,0,0|1,0,0]=2 5930 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,1,0,0,0,0|1,0,0]=2 5931 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,1,0,0,0,0|1,0,0]=2 5932 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,1,0,0,0,0|2,0,0]=3 5933 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,1,0,0,0,0|2,0,0]=3 5934 B12R0.5 CCOCCNCCOCCOC 2230a_100000745349_100011215890 [0,1,0,0,0,0|3,0,0]=4 5935 B12R0.5 CCOCCNCCOCCOC 2230a_102516460346_100000695917 [0,1,0,0,0,0|3,0,0]=4 5936 B12R0.5 CCOCCNCCOCCOC 34a_100000745349_100000210147 [0,1,0,0,0,0|3,0,0]=4 5937 B12R0.5 CCOCCNCCOCCOC 34a_102516460346_100000695917 [0,1,0,0,0,0|3,0,0]=4 5938 B12R0.5 CCOCCNN=CCCCCO 4a_100000732670_100000031955 [0,1,0,0,0,0|2,0,1]=4 5939 B12R0.5 CCOCCOCCCCCC#N 7a_100000210136_100009813376 [0,1,0,0,0,0|2,0,1]=4 5940 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,1,0,0,0,0|1,0,2]=4 5941 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,1,0,0,0,0|2,0,0]=3 5942 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,1,0,0,0,0|2,0,0]=3 5943 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,1,0,0,0,0|2,0,0]=3 5944 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,1,0,0,0,0|2,0,0]=3 5945 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,1,0,0,0,0|2,0,0]=3 5946 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,1,0,0,0,0|2,0,0]=3 5947 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,1,0,0,0,0|2,0,0]=3 5948 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,1,0,0,0,0|2,0,0]=3 5949 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,1,0,0,0,0|2,0,0]=3 5950 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,1,0,0,0,0|1,0,0]=2 5951 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,1,0,0,0,0|1,0,0]=2 5952 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,1,0,0,0,0|3,0,0]=4 5953 B12R0.5 CCOCCOCCNCCCF 2230a_100015189416_100011211534 [0,1,0,0,0,0|3,0,0]=4 5954 B12R0.5 CCOCCOCCNCCCF 2230a_100102712874_100011934791 [0,1,0,0,0,0|3,0,0]=4 5955 B12R0.5 CCOCCOCCNCCCF 34a_100015189416_100011211534 [0,1,0,0,0,0|3,0,0]=4 5956 B12R0.5 CCOCCOCCNCCCF 34a_100102712874_100011934791 [0,1,0,0,0,0|3,0,0]=4 5957 B12R0.5 CCOCCOCCNCCCO 2230a_100102712874_100000230001 [0,1,0,0,0,0|2,0,0]=3 5958 B12R0.5 CCOCCOCCNCCCO 34a_100102712874_100000230001 [0,1,0,0,0,0|2,0,0]=3 5959 B12R0.5 CCOCCOCCNCCOC 2230a_100000209980_100011211534 [0,1,0,0,0,0|3,0,0]=4 5960 B12R0.5 CCOCCOCCNCCOC 2230a_100102712874_100011201679 [0,1,0,0,0,0|3,0,0]=4 5961 B12R0.5 CCOCCOCCNCCOC 34a_100102712874_100011201679 [0,1,0,0,0,0|3,0,0]=4 5962 B12R0.5 CCOCCOCCOCCCBr 34a_100011217188_100011211534 [0,1,0,0,0,0|3,0,0]=4 5963 B12R0.5 CCOCCOCCOCCCCl 34a_100000230001_100011211534 [0,1,0,0,0,0|3,0,0]=4 5964 B12R0.5 CCOCCOCCOCCCF 34a_100000210240_100011934791 [0,1,0,0,0,0|3,0,0]=4 5965 B12R0.5 CCOCCOCCOCCCF 34a_100000759539_100011211534 [0,1,0,0,0,0|3,0,0]=4 5966 B12R0.5 CCOCCOCCOCCCF 7a_100000210240_100011934791 [0,1,0,0,0,0|3,0,0]=4 5967 B12R0.5 CCOCCOCCOCCCN 34a_100000182051_100011211534 [0,1,0,0,0,0|3,0,0]=4 5968 B12R0.5 CCOCCOCCOCCCN 34a_100011996194_100000210202 [0,1,0,0,0,0|3,0,0]=4 5969 B12R0.5 CCOCCOCCOCCCO 34a_100000210240_100000230001 [0,1,0,0,0,0|2,0,0]=3 5970 B12R0.5 CCOCCOCCOCCCO 7a_100000210240_100011215043 [0,1,0,0,0,0|2,0,0]=3 5971 B12R0.5 CCOCCOCCOCCOC 34a_100000033264_200000210301 [0,1,0,0,0,0|3,0,0]=4 5972 B12R0.5 CCOCCOCCOCCOC 34a_100000210136_100000695917 [0,1,0,0,0,0|3,0,0]=4 5973 B12R0.5 CCOCCOCCOCCOC 34a_100000210237_100011211534 [0,1,0,0,0,0|3,0,0]=4 5974 B12R0.5 CCOCCOCCOCCOC 34a_100000210240_100011201679 [0,1,0,0,0,0|3,0,0]=4 5975 B12R0.5 CCOCCOCCOCCOC 34a_100000688194_100000210202 [0,1,0,0,0,0|3,0,0]=4 5976 B12R0.5 CCOCCOCCOCCOC 34a_100011215163_100000210147 [0,1,0,0,0,0|3,0,0]=4 5977 B12R0.5 CCOCCOCCOCCOC 34a_100121572206_100013367474 [0,1,0,0,0,0|3,0,0]=4 5978 B12R0.5 CCOCCOCCOCCOC 7a_100000033264_200000210301 [0,1,0,0,0,0|3,0,0]=4 5979 B12R0.5 CCOCCOCCOCCOC 7a_100000210136_100000695917 [0,1,0,0,0,0|3,0,0]=4 5980 B12R0.5 CCOCCOCCOCCOC 7a_100000210240_100000233755 [0,1,0,0,0,0|3,0,0]=4 5981 B12R0.5 CCOCCOCCOCCOC 7a_100000688194_100000210202 [0,1,0,0,0,0|3,0,0]=4 5982 B12R0.5 CCOCCOCCOCCOC 7a_100011215163_100011215890 [0,1,0,0,0,0|3,0,0]=4 5983 B12R0.5 CCOCCOCCOCCON 34a_100000700252_100011211534 [0,1,0,0,0,0|3,0,0]=4 5984 B12R0.5 CCOCCOCCOCCO[13CH3] 34a_100000033264_200025704644 [0,1,0,0,0,0|3,0,0]=4 5985 B12R0.5 CCOCCOCCOCCO[13CH3] 7a_100000033264_200025704644 [0,1,0,0,0,0|3,0,0]=4 5986 B12R0.5 CCOCCOCCSCCCF 62a_100011211534_100011934791 [0,1,0,0,0,0|3,0,0]=4 5987 B12R0.5 CCOCCOCCSCCCF 62a_100011934791_100011211534 [0,1,0,0,0,0|3,0,0]=4 5988 B12R0.5 CCOCCOCCSCCCO 62a_100011211534_100011215043 [0,1,0,0,0,0|2,0,0]=3 5989 B12R0.5 CCOCCOCCSCCCO 62a_100011215043_100011211534 [0,1,0,0,0,0|2,0,0]=3 5990 B12R0.5 CCOCCOCCSCCOC 62a_100000233755_100011211534 [0,1,0,0,0,0|3,0,0]=4 5991 B12R0.5 CCOCCOCCSCCOC 62a_100011211534_100000233755 [0,1,0,0,0,0|3,0,0]=4 5992 B12R0.5 CCOCCSCCCCCC#N 62a_100000210147_100009813376 [0,1,0,0,0,0|2,0,1]=4 5993 B12R0.5 CCOCCSCCCCCC#N 62a_100009813376_100011215890 [0,1,0,0,0,0|2,0,1]=4 5994 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,1,0,0,0,0|1,0,2]=4 5995 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,1,0,0,0,0|1,0,2]=4 5996 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [0,1,0,0,0,0|2,0,0]=3 5997 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [0,1,0,0,0,0|2,0,0]=3 5998 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,1,0,0,0,0|1,0,0]=2 5999 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,1,0,0,0,0|1,0,0]=2 6000 B12R0.5 CCOCCSCCOCCOC 62a_100000210147_100000695917 [0,1,0,0,0,0|3,0,0]=4 6001 B12R0.5 CCOCCSCCOCCOC 62a_100000695917_100011215890 [0,1,0,0,0,0|3,0,0]=4 6002 B12R0.5 CCOCSCCCCCCC#N 62a_100000739092_100009813337 [0,1,0,0,0,0|2,0,1]=4 6003 B12R0.5 CCOCSCCCCCCC#N 62a_100009813337_100000739092 [0,1,0,0,0,0|2,0,1]=4 6004 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,1,0,0,0,0|1,0,0]=2 6005 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,1,0,0,0,0|1,0,0]=2 6006 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,1,0,0,0,0|2,0,0]=3 6007 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,1,0,0,0,0|2,0,0]=3 6008 B12R0.5 CCOCSCCCOCCOC 62a_100000739092_100011216529 [0,1,0,0,0,0|3,0,0]=4 6009 B12R0.5 CCOCSCCCOCCOC 62a_100011216529_100000739092 [0,1,0,0,0,0|3,0,0]=4 6010 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,1,0,0,0,0|0,0,0]=1 6011 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,1,0,0,0,0|0,0,0]=1 6012 B12R0.5 CCSCCCOCCCCC#N 7a_100011216438_100000211819 [0,1,0,0,0,0|2,0,1]=4 6013 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,1,0,0,0,0|1,0,2]=4 6014 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [0,1,0,0,0,0|2,0,0]=3 6015 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [0,1,0,0,0,0|2,0,0]=3 6016 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,1,0,0,0,0|1,0,0]=2 6017 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,1,0,0,0,0|1,0,0]=2 6018 B12R0.5 CCSCCCOCCCCOC 34a_100011216438_100000755781 [0,1,0,0,0,0|2,0,0]=3 6019 B12R0.5 CCSCCCOCCCCOC 7a_100011216438_100000730899 [0,1,0,0,0,0|2,0,0]=3 6020 B12R0.5 CCSCCCOCCOCCO 34a_100011216438_100000692535 [0,1,0,0,0,0|2,0,0]=3 6021 B12R0.5 CCSCCCOCCOCCO 7a_100011216438_100011215305 [0,1,0,0,0,0|2,0,0]=3 6022 B12R0.5 CCSCCNCCCCCC#N 2230a_100000106463_100009813376 [0,1,0,0,0,0|2,0,1]=4 6023 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,1,0,0,0,0|1,0,2]=4 6024 B12R0.5 CCSCCNCCCCCCF 2230a_100000106463_100015922095 [0,1,0,0,0,0|2,0,0]=3 6025 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,1,0,0,0,0|1,0,0]=2 6026 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,1,0,0,0,0|1,0,0]=2 6027 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,1,0,0,0,0|1,0,0]=2 6028 B12R0.5 CCSCCNCCCCCOC 2230a_100000747528_100000757381 [0,1,0,0,0,0|2,0,0]=3 6029 B12R0.5 CCSCCNCCCCCOC 34a_100000747528_100000757381 [0,1,0,0,0,0|2,0,0]=3 6030 B12R0.5 CCSCCNCCOCCOC 2230a_100000106463_100000695917 [0,1,0,0,0,0|3,0,0]=4 6031 B12R0.5 CCSCCNCCOCCOC 2230a_100000745349_100000757381 [0,1,0,0,0,0|3,0,0]=4 6032 B12R0.5 CCSCCNCCOCCOC 34a_100000745349_100000757381 [0,1,0,0,0,0|3,0,0]=4 6033 B12R0.5 CCSCCOCCCCCC#N 7a_100000212035_100009813376 [0,1,0,0,0,0|2,0,1]=4 6034 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,1,0,0,0,0|1,0,2]=4 6035 B12R0.5 CCSCCOCCCCCCBr 34a_100011215345_100000757381 [0,1,0,0,0,0|2,0,0]=3 6036 B12R0.5 CCSCCOCCCCCCBr 7a_100011215345_100000757381 [0,1,0,0,0,0|2,0,0]=3 6037 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [0,1,0,0,0,0|2,0,0]=3 6038 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [0,1,0,0,0,0|2,0,0]=3 6039 B12R0.5 CCSCCOCCCCCCF 34a_100000212035_100015922095 [0,1,0,0,0,0|2,0,0]=3 6040 B12R0.5 CCSCCOCCCCCCF 34a_100000732779_100000757381 [0,1,0,0,0,0|2,0,0]=3 6041 B12R0.5 CCSCCOCCCCCCF 7a_100000212035_100015922095 [0,1,0,0,0,0|2,0,0]=3 6042 B12R0.5 CCSCCOCCCCCCF 7a_100000732779_100000757381 [0,1,0,0,0,0|2,0,0]=3 6043 B12R0.5 CCSCCOCCCCCCN 34a_100000686447_100000757381 [0,1,0,0,0,0|2,0,0]=3 6044 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,1,0,0,0,0|1,0,0]=2 6045 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,1,0,0,0,0|1,0,0]=2 6046 B12R0.5 CCSCCOCCCCCNC 34a_100000722520_100000757381 [0,1,0,0,0,0|3,0,0]=4 6047 B12R0.5 CCSCCOCCOCCOC 34a_100000212035_100000695917 [0,1,0,0,0,0|3,0,0]=4 6048 B12R0.5 CCSCCOCCOCCOC 34a_100011215163_100000757381 [0,1,0,0,0,0|3,0,0]=4 6049 B12R0.5 CCSCCOCCOCCOC 62a_100000210202_100013367474 [0,1,0,0,0,0|3,0,0]=4 6050 B12R0.5 CCSCCOCCOCCOC 62a_100013367474_100000210202 [0,1,0,0,0,0|3,0,0]=4 6051 B12R0.5 CCSCCOCCOCCOC 7a_100000212035_100000695917 [0,1,0,0,0,0|3,0,0]=4 6052 B12R0.5 CCSCCOCCOCCOC 7a_100011215163_100000757381 [0,1,0,0,0,0|3,0,0]=4 6053 B12R0.5 CCSCCSCCCCCC#N 62a_100000757381_100009813376 [0,1,0,0,0,0|2,0,1]=4 6054 B12R0.5 CCSCCSCCCCCC#N 62a_100009813376_100000757381 [0,1,0,0,0,0|2,0,1]=4 6055 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,1,0,0,0,0|1,0,2]=4 6056 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,1,0,0,0,0|1,0,2]=4 6057 B12R0.5 CCSCCSCCCCCCF 62a_100000757381_100015922095 [0,1,0,0,0,0|2,0,0]=3 6058 B12R0.5 CCSCCSCCCCCCF 62a_100015922095_100000757381 [0,1,0,0,0,0|2,0,0]=3 6059 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,1,0,0,0,0|1,0,0]=2 6060 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,1,0,0,0,0|1,0,0]=2 6061 B12R0.5 CCSCCSCCOCCOC 62a_100000695917_100000757381 [0,1,0,0,0,0|3,0,0]=4 6062 B12R0.5 CCSCCSCCOCCOC 62a_100000757381_100000695917 [0,1,0,0,0,0|3,0,0]=4 6063 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,1,0,0,0,0|0,0,0]=1 6064 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,1,0,0,0,0|0,0,0]=1 6065 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,1,0,0,0,0|0,0,0]=1 6066 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,1,0,0,0,0|0,0,0]=1 6067 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,1,0,0,0,0|0,0,0]=1 6068 B12R0.5 CNCCCCCOCC#CCO 34a_100000722520_200000047223 [0,1,0,0,0,0|1,0,2]=4 6069 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,1,0,0,0,0|2,0,0]=3 6070 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,1,0,0,0,0|1,0,0]=2 6071 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,1,0,0,0,0|2,0,0]=3 6072 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [0,1,0,0,0,0|2,0,0]=3 6073 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,1,0,0,0,0|1,0,0]=2 6074 B12R0.5 CNCCCOCCOCCOC 34a_100000213112_100000695917 [0,1,0,0,0,0|3,0,0]=4 6075 B12R0.5 CNCCOCCOCCCCF 34a_100000228057_100000729493 [0,1,0,0,0,0|3,0,0]=4 6076 B12R0.5 CNCCOCCOCCCCO 34a_100000228057_100011216708 [0,1,0,0,0,0|2,0,0]=3 6077 B12R0.5 CNCCOCCOCCCOC 34a_100000228057_100000740836 [0,1,0,0,0,0|3,0,0]=4 6078 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,1,0,0,0,0|1,0,0]=2 6079 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,1,0,0,0,0|1,0,0]=2 6080 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,1,0,0,0,0|1,0,0]=2 6081 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,1,0,0,0,0|1,0,0]=2 6082 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,1,0,0,0,0|1,0,0]=2 6083 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,1,0,0,0,0|0,0,0]=1 6084 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [0,1,0,0,0,0|2,0,0]=3 6085 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [0,1,0,0,0,0|2,0,0]=3 6086 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,1,0,0,0,0|2,0,0]=3 6087 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,1,0,0,0,0|2,0,0]=3 6088 B12R0.5 COCCCCCCOCCC#N 7a_200012092642_100000184422 [0,1,0,0,0,0|2,0,1]=4 6089 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,1,0,0,0,0|2,0,0]=3 6090 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,1,0,0,0,0|2,0,0]=3 6091 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,1,0,0,0,0|2,0,0]=3 6092 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,1,0,0,0,0|2,0,0]=3 6093 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,1,0,0,0,0|2,0,0]=3 6094 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,1,0,0,0,0|2,0,0]=3 6095 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,1,0,0,0,0|1,0,0]=2 6096 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,1,0,0,0,0|1,0,0]=2 6097 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,1,0,0,0,0|2,0,0]=3 6098 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,1,0,0,0,0|2,0,0]=3 6099 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,1,0,0,0,0|2,0,0]=3 6100 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,1,0,0,0,0|2,0,0]=3 6101 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,1,0,0,0,0|2,0,0]=3 6102 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,1,0,0,0,0|2,0,0]=3 6103 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,1,0,0,0,0|2,0,0]=3 6104 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,1,0,0,0,0|2,0,0]=3 6105 B12R0.5 COCCCCCCSCCC#N 62a_100011215226_100011998445 [0,1,0,0,0,0|2,0,1]=4 6106 B12R0.5 COCCCCCCSCCC#N 62a_100011998445_100011215226 [0,1,0,0,0,0|2,0,1]=4 6107 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [0,1,0,0,0,0|2,0,0]=3 6108 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [0,1,0,0,0,0|2,0,0]=3 6109 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,1,0,0,0,0|1,0,0]=2 6110 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,1,0,0,0,0|1,0,0]=2 6111 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,1,0,0,0,0|2,0,0]=3 6112 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,1,0,0,0,0|2,0,0]=3 6113 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,1,0,0,0,0|2,0,0]=3 6114 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,1,0,0,0,0|2,0,0]=3 6115 B12R0.5 COCCCCCNCC#CCO 2230a_100000747528_200000047223 [0,1,0,0,0,0|1,0,2]=4 6116 B12R0.5 COCCCCCNCC#CCO 34a_100000747528_200000047223 [0,1,0,0,0,0|1,0,2]=4 6117 B12R0.5 COCCCCCNCCCC#N 2230a_100000747528_100000687738 [0,1,0,0,0,0|2,0,1]=4 6118 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,1,0,0,0,0|1,0,2]=4 6119 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,1,0,0,0,0|2,0,0]=3 6120 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,1,0,0,0,0|2,0,0]=3 6121 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,1,0,0,0,0|1,0,0]=2 6122 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,1,0,0,0,0|1,0,0]=2 6123 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,1,0,0,0,0|2,0,0]=3 6124 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,1,0,0,0,0|2,0,0]=3 6125 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,1,0,0,0,0|1,0,0]=2 6126 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,1,0,0,0,0|1,0,0]=2 6127 B12R0.5 COCCCCNCCOCCO 2230a_100000211614_100000730899 [0,1,0,0,0,0|2,0,0]=3 6128 B12R0.5 COCCCCNCCOCCO 34a_100000211614_100000755781 [0,1,0,0,0,0|2,0,0]=3 6129 B12R0.5 COCCCCNCCSCCO 2230a_100011219999_100000730899 [0,1,0,0,0,0|2,0,0]=3 6130 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [0,1,0,0,0,0|2,0,0]=3 6131 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [0,1,0,0,0,0|2,0,0]=3 6132 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [0,1,0,0,0,0|2,0,0]=3 6133 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [0,1,0,0,0,0|2,0,0]=3 6134 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [0,1,0,0,0,0|2,0,0]=3 6135 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [0,1,0,0,0,0|2,0,0]=3 6136 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [0,1,0,0,0,0|2,0,0]=3 6137 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [0,1,0,0,0,0|2,0,0]=3 6138 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,1,0,0,0,0|1,0,0]=2 6139 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,1,0,0,0,0|2,0,0]=3 6140 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,1,0,0,0,0|2,0,0]=3 6141 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,1,0,0,0,0|2,0,0]=3 6142 B12R0.5 COCCCCOCCOCCBr 34a_100000692535_100000755781 [0,1,0,0,0,0|3,0,0]=4 6143 B12R0.5 COCCCCOCCOCCBr 7a_100000692535_100000730899 [0,1,0,0,0,0|3,0,0]=4 6144 B12R0.5 COCCCCOCCOCCCl 34a_100011215305_100000755781 [0,1,0,0,0,0|3,0,0]=4 6145 B12R0.5 COCCCCOCCOCCCl 7a_100011215305_100000730899 [0,1,0,0,0,0|3,0,0]=4 6146 B12R0.5 COCCCCOCCOCCF 34a_200015357709_100000755781 [0,1,0,0,0,0|3,0,0]=4 6147 B12R0.5 COCCCCOCCOCCF 7a_200015357709_100000730899 [0,1,0,0,0,0|3,0,0]=4 6148 B12R0.5 COCCCCOCCOCCI 34a_100012149058_100000755781 [0,1,0,0,0,0|3,0,0]=4 6149 B12R0.5 COCCCCOCCOCCI 7a_100012149058_100000730899 [0,1,0,0,0,0|3,0,0]=4 6150 B12R0.5 COCCCCOCCOCCN 34a_100000211614_100000755781 [0,1,0,0,0,0|3,0,0]=4 6151 B12R0.5 COCCCCOCCOCCO 34a_100000740925_100000692535 [0,1,0,0,0,0|2,0,0]=3 6152 B12R0.5 COCCCCSCCCCC#N 62a_100000730899_100000211819 [0,1,0,0,0,0|2,0,1]=4 6153 B12R0.5 COCCCCSCCCCC#N 62a_100011219923_100000730899 [0,1,0,0,0,0|2,0,1]=4 6154 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,1,0,0,0,0|1,0,2]=4 6155 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,1,0,0,0,0|1,0,2]=4 6156 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [0,1,0,0,0,0|2,0,0]=3 6157 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [0,1,0,0,0,0|2,0,0]=3 6158 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,1,0,0,0,0|1,0,0]=2 6159 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,1,0,0,0,0|1,0,0]=2 6160 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,1,0,0,0,0|2,0,0]=3 6161 B12R0.5 COCCCCSCCOCCO 62a_100000730899_100011215305 [0,1,0,0,0,0|2,0,0]=3 6162 B12R0.5 COCCCCSCCOCCO 62a_100011215305_100000730899 [0,1,0,0,0,0|2,0,0]=3 6163 B12R0.5 COCCCCSCOCCOC 62a_100000231047_100000730899 [0,1,0,0,0,0|3,0,0]=4 6164 B12R0.5 COCCCCSCOCCOC 62a_100000730899_100000231047 [0,1,0,0,0,0|3,0,0]=4 6165 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [0,1,0,0,0,0|2,0,0]=3 6166 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,1,0,0,0,0|1,0,0]=2 6167 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,1,0,0,0,0|1,0,0]=2 6168 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,1,0,0,0,0|1,0,0]=2 6169 B12R0.5 COCCCNCCOCCOC 2230a_100000745349_100000740836 [0,1,0,0,0,0|3,0,0]=4 6170 B12R0.5 COCCCNCCOCCOC 34a_100000745349_100000740836 [0,1,0,0,0,0|3,0,0]=4 6171 B12R0.5 COCCCNCCOCCOC 34a_100150723488_100000695917 [0,1,0,0,0,0|3,0,0]=4 6172 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,1,0,0,0,0|2,0,0]=3 6173 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,1,0,0,0,0|2,0,0]=3 6174 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,1,0,0,0,0|2,0,0]=3 6175 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,1,0,0,0,0|2,0,0]=3 6176 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,1,0,0,0,0|2,0,0]=3 6177 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,1,0,0,0,0|2,0,0]=3 6178 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,1,0,0,0,0|2,0,0]=3 6179 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,1,0,0,0,0|2,0,0]=3 6180 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,1,0,0,0,0|1,0,0]=2 6181 B12R0.5 COCCCOCCCOCCF 34a_200011215475_100011217306 [0,1,0,0,0,0|3,0,0]=4 6182 B12R0.5 COCCCOCCCOCCF 7a_200011215475_100011217306 [0,1,0,0,0,0|3,0,0]=4 6183 B12R0.5 COCCCOCCCOCCO 34a_200011215475_100000211926 [0,1,0,0,0,0|2,0,0]=3 6184 B12R0.5 COCCCOCCCOCCO 7a_200011215475_100000211926 [0,1,0,0,0,0|2,0,0]=3 6185 B12R0.5 COCCCOCCCOCSC 34a_200011215475_100011218213 [0,1,0,0,0,0|3,0,0]=4 6186 B12R0.5 COCCCOCCOCCOC 34a_100000740835_100000695917 [0,1,0,0,0,0|3,0,0]=4 6187 B12R0.5 COCCCOCCOCCOC 34a_100011215163_100000740836 [0,1,0,0,0,0|3,0,0]=4 6188 B12R0.5 COCCCOCCOCCOC 7a_100011215163_100000740836 [0,1,0,0,0,0|3,0,0]=4 6189 B12R0.5 COCCCSCCCCCC#N 62a_100000709357_100009813376 [0,1,0,0,0,0|2,0,1]=4 6190 B12R0.5 COCCCSCCCCCC#N 62a_100009813376_100000709357 [0,1,0,0,0,0|2,0,1]=4 6191 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,1,0,0,0,0|1,0,2]=4 6192 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,1,0,0,0,0|1,0,2]=4 6193 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [0,1,0,0,0,0|2,0,0]=3 6194 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [0,1,0,0,0,0|2,0,0]=3 6195 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,1,0,0,0,0|1,0,0]=2 6196 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,1,0,0,0,0|1,0,0]=2 6197 B12R0.5 COCCCSCCOCCOC 62a_100000695917_100000709357 [0,1,0,0,0,0|3,0,0]=4 6198 B12R0.5 COCCCSCCOCCOC 62a_100000709357_100000695917 [0,1,0,0,0,0|3,0,0]=4 6199 B12R0.5 COCCNCCCCCCC#N 2230a_100000209980_100009813337 [0,1,0,0,0,0|2,0,1]=4 6200 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,1,0,0,0,0|1,0,0]=2 6201 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,1,0,0,0,0|1,0,0]=2 6202 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,1,0,0,0,0|1,0,0]=2 6203 B12R0.5 COCCNCCCOCCCO 2230a_100011310245_100011201679 [0,1,0,0,0,0|2,0,0]=3 6204 B12R0.5 COCCNCCCOCCCO 34a_100011310245_100011201679 [0,1,0,0,0,0|2,0,0]=3 6205 B12R0.5 COCCNCCCOCCOC 2230a_100000206027_100011201679 [0,1,0,0,0,0|3,0,0]=4 6206 B12R0.5 COCCNCCCOCCOC 2230a_100000209980_100011216529 [0,1,0,0,0,0|3,0,0]=4 6207 B12R0.5 COCCNCCCOCCOC 34a_100000206027_100011201679 [0,1,0,0,0,0|3,0,0]=4 6208 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,1,0,0,0,0|2,0,0]=3 6209 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,1,0,0,0,0|2,0,0]=3 6210 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,1,0,0,0,0|2,0,0]=3 6211 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,1,0,0,0,0|1,0,0]=2 6212 B12R0.5 COCCOCCCNCCCF 2230a_100000206027_100011934791 [0,1,0,0,0,0|3,0,0]=4 6213 B12R0.5 COCCOCCCNCCCF 2230a_100015189416_100011216529 [0,1,0,0,0,0|3,0,0]=4 6214 B12R0.5 COCCOCCCNCCCF 34a_100000206027_100011934791 [0,1,0,0,0,0|3,0,0]=4 6215 B12R0.5 COCCOCCCNCCCF 34a_100015189416_100011216529 [0,1,0,0,0,0|3,0,0]=4 6216 B12R0.5 COCCOCCCNCCCO 2230a_100000206027_100000230001 [0,1,0,0,0,0|2,0,0]=3 6217 B12R0.5 COCCOCCCNCCCO 34a_100000206027_100000230001 [0,1,0,0,0,0|2,0,0]=3 6218 B12R0.5 COCCOCCCNCCSC 2230a_100000206027_100000751147 [0,1,0,0,0,0|3,0,0]=4 6219 B12R0.5 COCCOCCCNCCSC 2230a_100020590264_100011216529 [0,1,0,0,0,0|3,0,0]=4 6220 B12R0.5 COCCOCCCNCCSC 34a_100000206027_100000212216 [0,1,0,0,0,0|3,0,0]=4 6221 B12R0.5 COCCOCCCOCCCBr 34a_100011217188_100011216529 [0,1,0,0,0,0|3,0,0]=4 6222 B12R0.5 COCCOCCCOCCCCl 34a_100000230001_100011216529 [0,1,0,0,0,0|3,0,0]=4 6223 B12R0.5 COCCOCCCOCCCF 34a_100000759539_100011216529 [0,1,0,0,0,0|3,0,0]=4 6224 B12R0.5 COCCOCCCOCCCN 34a_100000182051_100011216529 [0,1,0,0,0,0|3,0,0]=4 6225 B12R0.5 COCCOCCCOCCCN 34a_100011310245_100011201679 [0,1,0,0,0,0|3,0,0]=4 6226 B12R0.5 COCCOCCCOCCOC 34a_100000210237_100011216529 [0,1,0,0,0,0|3,0,0]=4 6227 B12R0.5 COCCOCCCOCCON 34a_100000700252_100011216529 [0,1,0,0,0,0|3,0,0]=4 6228 B12R0.5 COCCOCCCOCCSC 34a_100000230434_100011216529 [0,1,0,0,0,0|3,0,0]=4 6229 B12R0.5 COCCOCCCOCCSC 7a_100000230434_100011216529 [0,1,0,0,0,0|3,0,0]=4 6230 B12R0.5 COCCOCCCSCCCF 62a_100011216529_100011934791 [0,1,0,0,0,0|3,0,0]=4 6231 B12R0.5 COCCOCCCSCCCF 62a_100011934791_100011216529 [0,1,0,0,0,0|3,0,0]=4 6232 B12R0.5 COCCOCCCSCCCO 62a_100011215043_100011216529 [0,1,0,0,0,0|2,0,0]=3 6233 B12R0.5 COCCOCCCSCCCO 62a_100011216529_100011215043 [0,1,0,0,0,0|2,0,0]=3 6234 B12R0.5 COCCOCCCSCCOC 62a_100000233755_100011216529 [0,1,0,0,0,0|3,0,0]=4 6235 B12R0.5 COCCOCCCSCCOC 62a_100011216529_100000233755 [0,1,0,0,0,0|3,0,0]=4 6236 B12R0.5 COCCOCCCSCCSC 62a_100000212216_100011216529 [0,1,0,0,0,0|3,0,0]=4 6237 B12R0.5 COCCOCCCSCCSC 62a_100011216529_100000751147 [0,1,0,0,0,0|3,0,0]=4 6238 B12R0.5 COCCOCCNCCCCF 2230a_100000745349_100000729493 [0,1,0,0,0,0|3,0,0]=4 6239 B12R0.5 COCCOCCNCCCCF 34a_100000745349_100000729493 [0,1,0,0,0,0|3,0,0]=4 6240 B12R0.5 COCCOCCNCCCCO 2230a_100000745349_100000210776 [0,1,0,0,0,0|2,0,0]=3 6241 B12R0.5 COCCOCCNCCCCO 2230a_100000750430_100000695917 [0,1,0,0,0,0|2,0,0]=3 6242 B12R0.5 COCCOCCNCCCCO 34a_100000745349_100011216708 [0,1,0,0,0,0|2,0,0]=3 6243 B12R0.5 COCCOCCNCCCCO 34a_100000750430_100000695917 [0,1,0,0,0,0|2,0,0]=3 6244 B12R0.5 COCCOCCNCCCSC 2230a_100000749238_100000695917 [0,1,0,0,0,0|3,0,0]=4 6245 B12R0.5 COCCOCCOCCCCBr 34a_100011216708_100000695917 [0,1,0,0,0,0|3,0,0]=4 6246 B12R0.5 COCCOCCOCCCCCl 34a_100000210776_100000695917 [0,1,0,0,0,0|3,0,0]=4 6247 B12R0.5 COCCOCCOCCCCCl 7a_100000210776_100000695917 [0,1,0,0,0,0|3,0,0]=4 6248 B12R0.5 COCCOCCOCCCCF 34a_100011215163_100000729493 [0,1,0,0,0,0|3,0,0]=4 6249 B12R0.5 COCCOCCOCCCCF 34a_100011995726_100000695917 [0,1,0,0,0,0|3,0,0]=4 6250 B12R0.5 COCCOCCOCCCCF 7a_100011215163_100000729493 [0,1,0,0,0,0|3,0,0]=4 6251 B12R0.5 COCCOCCOCCCCF 7a_100011995726_100000695917 [0,1,0,0,0,0|3,0,0]=4 6252 B12R0.5 COCCOCCOCCCCI 34a_200012148704_100000695917 [0,1,0,0,0,0|3,0,0]=4 6253 B12R0.5 COCCOCCOCCCCN 34a_100000750430_100000695917 [0,1,0,0,0,0|3,0,0]=4 6254 B12R0.5 COCCOCCOCCCCO 34a_100011215163_100011216708 [0,1,0,0,0,0|2,0,0]=3 6255 B12R0.5 COCCOCCOCCCCO 7a_100011215163_100000210776 [0,1,0,0,0,0|2,0,0]=3 6256 B12R0.5 COCCOCCOCCCSC 34a_100000690336_100000695917 [0,1,0,0,0,0|3,0,0]=4 6257 B12R0.5 COCCOCCOCCCSC 7a_100000690336_100000695917 [0,1,0,0,0,0|3,0,0]=4 6258 B12R0.5 COCCOCCSCCCCF 62a_100000695917_100000729493 [0,1,0,0,0,0|3,0,0]=4 6259 B12R0.5 COCCOCCSCCCCF 62a_100000729493_100000695917 [0,1,0,0,0,0|3,0,0]=4 6260 B12R0.5 COCCOCCSCCCCO 62a_100000210776_100000695917 [0,1,0,0,0,0|2,0,0]=3 6261 B12R0.5 COCCOCCSCCCCO 62a_100000695917_100000210776 [0,1,0,0,0,0|2,0,0]=3 6262 B12R0.5 COCCOCNCCCCCO 2230a_100000762737_100000231047 [0,1,0,0,0,0|2,0,0]=3 6263 B12R0.5 COCCOCNCCOCCO 2230a_100000211614_100000231047 [0,1,0,0,0,0|3,0,0]=4 6264 B12R0.5 COCCOCNCCSCCO 2230a_100011219999_100000231047 [0,1,0,0,0,0|3,0,0]=4 6265 B12R0.5 COCCOCSCCCCCF 62a_100000231047_100000729378 [0,1,0,0,0,0|3,0,0]=4 6266 B12R0.5 COCCOCSCCCCCF 62a_100000729378_100000231047 [0,1,0,0,0,0|3,0,0]=4 6267 B12R0.5 COCCOCSCCCCCO 62a_100000231047_100000746330 [0,1,0,0,0,0|2,0,0]=3 6268 B12R0.5 COCCOCSCCCCCO 62a_100000746330_100000231047 [0,1,0,0,0,0|2,0,0]=3 6269 B12R0.5 COCCOCSCCOCCO 62a_100000231047_100011215305 [0,1,0,0,0,0|3,0,0]=4 6270 B12R0.5 COCCOCSCCOCCO 62a_100011215305_100000231047 [0,1,0,0,0,0|3,0,0]=4 6271 B12R0.5 COCCSCCCCCCC#N 62a_100000233755_100009813337 [0,1,0,0,0,0|2,0,1]=4 6272 B12R0.5 COCCSCCCCCCC#N 62a_100009813337_100000233755 [0,1,0,0,0,0|2,0,1]=4 6273 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,1,0,0,0,0|1,0,0]=2 6274 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,1,0,0,0,0|1,0,0]=2 6275 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,1,0,0,0,0|1,0,0]=2 6276 B12R0.5 COCNCCOCCOCCO 2230a_100011998139_100000766300 [0,1,0,0,0,0|3,0,0]=4 6277 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,1,0,0,0,0|1,0,0]=2 6278 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,1,0,0,0,0|1,0,0]=2 6279 B12R0.5 COCSCCOCCOCCO 62a_100000032323_100000766300 [0,1,0,0,0,0|3,0,0]=4 6280 B12R0.5 COCSCCOCCOCCO 62a_100000766300_100000032323 [0,1,0,0,0,0|3,0,0]=4 6281 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,1,0,0,0,0|0,0,0]=1 6282 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,1,0,0,0,0|0,0,0]=1 6283 B12R0.5 CSCCCCOCCCCC#N 7a_100011217163_100000211819 [0,1,0,0,0,0|2,0,1]=4 6284 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,1,0,0,0,0|1,0,2]=4 6285 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [0,1,0,0,0,0|2,0,0]=3 6286 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [0,1,0,0,0,0|2,0,0]=3 6287 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,1,0,0,0,0|1,0,0]=2 6288 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,1,0,0,0,0|1,0,0]=2 6289 B12R0.5 CSCCCCOCCOCCO 34a_100011217163_100000692535 [0,1,0,0,0,0|2,0,0]=3 6290 B12R0.5 CSCCCCOCCOCCO 7a_100011217163_100011215305 [0,1,0,0,0,0|2,0,0]=3 6291 B12R0.5 CSCCCNCCCCCC#N 2230a_100000749238_100009813376 [0,1,0,0,0,0|2,0,1]=4 6292 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,1,0,0,0,0|1,0,2]=4 6293 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [0,1,0,0,0,0|2,0,0]=3 6294 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,1,0,0,0,0|1,0,0]=2 6295 B12R0.5 CSCCCOCCCCCC#N 7a_100000690336_100009813376 [0,1,0,0,0,0|2,0,1]=4 6296 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,1,0,0,0,0|1,0,2]=4 6297 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [0,1,0,0,0,0|2,0,0]=3 6298 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [0,1,0,0,0,0|2,0,0]=3 6299 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,1,0,0,0,0|1,0,0]=2 6300 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,1,0,0,0,0|1,0,0]=2 6301 B12R0.5 CSCCNCCCCCCC#N 2230a_100020590264_100009813337 [0,1,0,0,0,0|2,0,1]=4 6302 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,1,0,0,0,0|1,0,0]=2 6303 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,1,0,0,0,0|1,0,0]=2 6304 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,1,0,0,0,0|1,0,0]=2 6305 B12R0.5 CSCCNCCCOCCCO 2230a_100011310245_100000751147 [0,1,0,0,0,0|2,0,0]=3 6306 B12R0.5 CSCCNCCCOCCCO 34a_100011310245_100000212216 [0,1,0,0,0,0|2,0,0]=3 6307 B12R0.5 CSCCOCCCCCCC#N 7a_100000230434_100009813337 [0,1,0,0,0,0|2,0,1]=4 6308 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,1,0,0,0,0|2,0,0]=3 6309 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,1,0,0,0,0|2,0,0]=3 6310 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,1,0,0,0,0|2,0,0]=3 6311 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,1,0,0,0,0|1,0,0]=2 6312 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,1,0,0,0,0|1,0,0]=2 6313 B12R0.5 CSCCOCCCOCCCN 34a_100011310245_100000212216 [0,1,0,0,0,0|3,0,0]=4 6314 B12R0.5 CSCCSCCCCCCC#N 62a_100000212216_100009813337 [0,1,0,0,0,0|2,0,1]=4 6315 B12R0.5 CSCCSCCCCCCC#N 62a_100009813337_100000751147 [0,1,0,0,0,0|2,0,1]=4 6316 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,1,0,0,0,0|1,0,0]=2 6317 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,1,0,0,0,0|1,0,0]=2 6318 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,1,0,0,0,0|1,0,0]=2 6319 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,1,0,0,0,0|1,0,0]=2 6320 B12R0.5 CSCNCCOCCOCCO 2230a_100011998139_100011218213 [0,1,0,0,0,0|3,0,0]=4 6321 B12R0.5 CSCNCCOCCOCCO 34a_100011998139_100011218213 [0,1,0,0,0,0|3,0,0]=4 6322 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [0,1,0,0,0,0|2,0,0]=3 6323 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [0,1,0,0,0,0|2,0,0]=3 6324 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [0,1,0,0,0,0|2,0,0]=3 6325 B12R0.5 CSCOCCCCCNCCN 34a_103619048469_100011218213 [0,1,0,0,0,0|3,0,0]=4 6326 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,1,0,0,0,0|1,0,0]=2 6327 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,1,0,0,0,0|1,0,0]=2 6328 B12R0.5 CSCSCCOCCOCCO 62a_100000032323_100011218213 [0,1,0,0,0,0|3,0,0]=4 6329 B12R0.5 CSCSCCOCCOCCO 62a_100011218213_100000032323 [0,1,0,0,0,0|3,0,0]=4 6330 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [0,1,0,0,0,0|2,0,0]=3 6331 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [0,1,0,0,0,0|2,0,0]=3 6332 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [0,1,0,0,0,0|2,0,0]=3 6333 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [0,1,0,0,0,0|2,0,0]=3 6334 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [0,1,0,0,0,0|2,0,0]=3 6335 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [0,1,0,0,0,0|2,0,0]=3 6336 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [0,1,0,0,0,0|2,0,0]=3 6337 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [0,1,0,0,0,0|2,0,0]=3 6338 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [0,1,0,0,0,0|2,0,0]=3 6339 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [0,1,0,0,0,0|2,0,0]=3 6340 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [0,1,0,0,0,0|2,0,0]=3 6341 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [0,1,0,0,0,0|2,0,0]=3 6342 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [0,1,0,0,0,0|2,0,0]=3 6343 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [0,1,0,0,0,0|2,0,0]=3 6344 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [0,1,0,0,0,0|2,0,0]=3 6345 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [0,1,0,0,0,0|2,0,0]=3 6346 B12R0.5 FCCCCCOCCOCCBr 34a_100000692535_100000729378 [0,1,0,0,0,0|3,0,0]=4 6347 B12R0.5 FCCCCCOCCOCCBr 7a_100000692535_100000729378 [0,1,0,0,0,0|3,0,0]=4 6348 B12R0.5 FCCCCCOCCOCCCl 34a_100011215305_100000729378 [0,1,0,0,0,0|3,0,0]=4 6349 B12R0.5 FCCCCCOCCOCCCl 7a_100011215305_100000729378 [0,1,0,0,0,0|3,0,0]=4 6350 B12R0.5 FCCCCCOCCOCCF 34a_200015357709_100000729378 [0,1,0,0,0,0|3,0,0]=4 6351 B12R0.5 FCCCCCOCCOCCF 7a_200015357709_100000729378 [0,1,0,0,0,0|3,0,0]=4 6352 B12R0.5 FCCCCCOCCOCCI 34a_100012149058_100000729378 [0,1,0,0,0,0|3,0,0]=4 6353 B12R0.5 FCCCCCOCCOCCI 7a_100012149058_100000729378 [0,1,0,0,0,0|3,0,0]=4 6354 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [0,1,0,0,0,0|2,0,0]=3 6355 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [0,1,0,0,0,0|2,0,0]=3 6356 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [0,1,0,0,0,0|2,0,0]=3 6357 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [0,1,0,0,0,0|2,0,0]=3 6358 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [0,1,0,0,0,0|2,0,0]=3 6359 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [0,1,0,0,0,0|2,0,0]=3 6360 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [0,1,0,0,0,0|2,0,0]=3 6361 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,1,0,0,0,0|2,0,0]=3 6362 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,1,0,0,0,0|2,0,0]=3 6363 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,1,0,0,0,0|2,0,0]=3 6364 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,1,0,0,0,0|2,0,0]=3 6365 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,1,0,0,0,0|2,0,0]=3 6366 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,1,0,0,0,0|2,0,0]=3 6367 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,1,0,0,0,0|2,0,0]=3 6368 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,1,0,0,0,0|2,0,0]=3 6369 B12R0.5 N#CCCCCCCNCCCF 2230a_100015189416_100009813337 [0,1,0,0,0,0|2,0,1]=4 6370 B12R0.5 N#CCCCCCCSCCCF 62a_100009813337_100011934791 [0,1,0,0,0,0|2,0,1]=4 6371 B12R0.5 N#CCCCCCCSCCCF 62a_100011934791_100009813337 [0,1,0,0,0,0|2,0,1]=4 6372 B12R0.5 N#CCCCCCCSCCCO 62a_100009813337_100011215043 [0,1,0,0,0,0|1,0,1]=3 6373 B12R0.5 N#CCCCCCCSCCCO 62a_100011215043_100009813337 [0,1,0,0,0,0|1,0,1]=3 6374 B12R0.5 N#CCCCCCNCCCCO 2230a_100000750430_100009813376 [0,1,0,0,0,0|1,0,1]=3 6375 B12R0.5 N#CCCCCCOCCCCCl 7a_100000210776_100009813376 [0,1,0,0,0,0|2,0,1]=4 6376 B12R0.5 N#CCCCCCOCCCCF 7a_100011995726_100009813376 [0,1,0,0,0,0|2,0,1]=4 6377 B12R0.5 N#CCCCCCSCCCCF 62a_100000729493_100009813376 [0,1,0,0,0,0|2,0,1]=4 6378 B12R0.5 N#CCCCCCSCCCCF 62a_100009813376_100000729493 [0,1,0,0,0,0|2,0,1]=4 6379 B12R0.5 N#CCCCCCSCCCCO 62a_100000210776_100009813376 [0,1,0,0,0,0|1,0,1]=3 6380 B12R0.5 N#CCCCCCSCCCCO 62a_100009813376_100000210776 [0,1,0,0,0,0|1,0,1]=3 6381 B12R0.5 N#CCCCCNCCCCCO 2230a_100000762737_100000211819 [0,1,0,0,0,0|1,0,1]=3 6382 B12R0.5 N#CCCCCNCCOCCO 2230a_100000211614_100000211819 [0,1,0,0,0,0|2,0,1]=4 6383 B12R0.5 N#CCCCCNCCSCCO 2230a_100011219999_100000211819 [0,1,0,0,0,0|2,0,1]=4 6384 B12R0.5 N#CCCCCOCCCCCBr 7a_100000746331_100000211819 [0,1,0,0,0,0|2,0,1]=4 6385 B12R0.5 N#CCCCCOCCCCCCl 7a_100000746330_100000211819 [0,1,0,0,0,0|2,0,1]=4 6386 B12R0.5 N#CCCCCOCCCCCI 7a_200012148887_100000211819 [0,1,0,0,0,0|2,0,1]=4 6387 B12R0.5 N#CCCCCSCCCCCF 62a_100000729378_100000211819 [0,1,0,0,0,0|2,0,1]=4 6388 B12R0.5 N#CCCCCSCCCCCF 62a_100011219923_100000729378 [0,1,0,0,0,0|2,0,1]=4 6389 B12R0.5 N#CCCCCSCCCCCO 62a_100000746330_100000211819 [0,1,0,0,0,0|1,0,1]=3 6390 B12R0.5 N#CCCCCSCCCCCO 62a_100011219923_100000746330 [0,1,0,0,0,0|1,0,1]=3 6391 B12R0.5 N#CCCCCSCCOCCO 62a_100011215305_100000211819 [0,1,0,0,0,0|2,0,1]=4 6392 B12R0.5 N#CCCCCSCCOCCO 62a_100011219923_100011215305 [0,1,0,0,0,0|2,0,1]=4 6393 B12R0.5 N#CCCCNCCCCCCO 2230a_100000686447_100000687738 [0,1,0,0,0,0|1,0,1]=3 6394 B12R0.5 N#CCCCOCCCCCCBr 7a_100011215345_100000687738 [0,1,0,0,0,0|2,0,1]=4 6395 B12R0.5 N#CCCCOCCCCCCCl 7a_100000766143_100000687738 [0,1,0,0,0,0|2,0,1]=4 6396 B12R0.5 N#CCCCOCCCCCCF 7a_100000732779_100000687738 [0,1,0,0,0,0|2,0,1]=4 6397 B12R0.5 N#CCCCSCCCCCCF 62a_100000687738_100015922095 [0,1,0,0,0,0|2,0,1]=4 6398 B12R0.5 N#CCCCSCCCCCCF 62a_100015922095_100000687738 [0,1,0,0,0,0|2,0,1]=4 6399 B12R0.5 N#CCCCSCCCCCCO 62a_100000687738_100000766143 [0,1,0,0,0,0|1,0,1]=3 6400 B12R0.5 N#CCCCSCCCCCCO 62a_100000766143_100000687738 [0,1,0,0,0,0|1,0,1]=3 6401 B12R0.5 N#CCCNCCCCCCCO 2230a_100011996573_100011215226 [0,1,0,0,0,0|1,0,1]=3 6402 B12R0.5 N#CCCNCCCOCCCO 2230a_100011310245_100011215226 [0,1,0,0,0,0|2,0,1]=4 6403 B12R0.5 N#CCCOCCCCCCCBr 7a_100000760002_100000184422 [0,1,0,0,0,0|2,0,1]=4 6404 B12R0.5 N#CCCSCCCCCCCO 62a_100000760002_100011215226 [0,1,0,0,0,0|1,0,1]=3 6405 B12R0.5 N#CCCSCCCCCCCO 62a_100011215226_100000760002 [0,1,0,0,0,0|1,0,1]=3 6406 B12R0.5 N#CCNCCCCCCCCO 2230a_102515433106_100011215382 [0,1,0,0,0,0|1,0,1]=3 6407 B12R0.5 N#CCOCCCCCCCCBr 7a_100009813846_100011215382 [0,1,0,0,0,0|2,0,1]=4 6408 B12R0.5 N#CCOCCCCCCCCCl 7a_100000033203_100011215382 [0,1,0,0,0,0|2,0,1]=4 6409 B12R0.5 N#CCOCCNCCCCCO 2230a_100000762737_200000047693 [0,1,0,0,0,0|2,0,1]=4 6410 B12R0.5 N#CCOCCSCCCCCO 62a_100000746330_200000047693 [0,1,0,0,0,0|2,0,1]=4 6411 B12R0.5 N#CCOCCSCCCCCO 62a_200000047693_100000746330 [0,1,0,0,0,0|2,0,1]=4 6412 B12R0.5 N#CCSCCCCCCCCO 62a_100000033203_100011215382 [0,1,0,0,0,0|1,0,1]=3 6413 B12R0.5 N#CCSCCCCCCCCO 62a_100011215382_100000033203 [0,1,0,0,0,0|1,0,1]=3 6414 B12R0.5 N#CSCCSCCCCCCO 62a_100000034367_100000766143 [0,1,0,0,0,0|2,0,1]=4 6415 B12R0.5 N#CSCCSCCCCCCO 62a_100000766143_100000034367 [0,1,0,0,0,0|2,0,1]=4 6416 B12R0.5 N#CSCSCCCCCCCO 62a_100000211825_100000760002 [0,1,0,0,0,0|2,0,1]=4 6417 B12R0.5 N#CSCSCCCCCCCO 62a_100000760002_100000211825 [0,1,0,0,0,0|2,0,1]=4 6418 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,1,0,0,0,0|2,0,0]=3 6419 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,1,0,0,0,0|1,0,2]=4 6420 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|2,0,0]=3 6421 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,0]=2 6422 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [0,1,0,0,0,0|2,0,0]=3 6423 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,0]=2 6424 B12R0.5 NCCCCCCOCC#CCO 34a_100000686447_200000047223 [0,1,0,0,0,0|1,0,2]=4 6425 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [0,1,0,0,0,0|2,0,0]=3 6426 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,0]=2 6427 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [0,1,0,0,0,0|2,0,0]=3 6428 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,0]=2 6429 B12R0.5 NCCCCCOCCOCCO 34a_100000762737_100000692535 [0,1,0,0,0,0|2,0,0]=3 6430 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [0,1,0,0,0,0|2,0,0]=3 6431 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,0]=2 6432 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,1,0,0,0,0|1,0,0]=2 6433 B12R0.5 NCCCOCCCOCCCF 34a_100011310245_100011934791 [0,1,0,0,0,0|3,0,0]=4 6434 B12R0.5 NCCCOCCCOCCCO 34a_100011310245_100000230001 [0,1,0,0,0,0|2,0,0]=3 6435 B12R0.5 NCCNCCCCCOCCF 34a_103619048469_100011217306 [0,1,0,0,0,0|3,0,0]=4 6436 B12R0.5 NCCNCCCCCOCCO 34a_103619048469_100000211926 [0,1,0,0,0,0|2,0,0]=3 6437 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,1,0,0,0,0|1,0,0]=2 6438 B12R0.5 NCCOCCOCCCCCF 34a_100000211614_100000729378 [0,1,0,0,0,0|3,0,0]=4 6439 B12R0.5 NCCOCCOCCCCCO 34a_100000211614_100000746330 [0,1,0,0,0,0|2,0,0]=3 6440 B12R0.5 NCCOCCOCCOCCO 34a_100000210304_100000032323 [0,1,0,0,0,0|3,0,0]=4 6441 B12R0.5 NCCOCCOCCOCCO 34a_100000211614_100000692535 [0,1,0,0,0,0|3,0,0]=4 6442 B12R0.5 NCCOCCOCCOCCO 34a_100011998139_100000211926 [0,1,0,0,0,0|3,0,0]=4 6443 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,1,0,0,0,0|2,0,0]=3 6444 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,1,0,0,0,0|1,0,1]=3 6445 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,1,0,0,0,0|1,0,2]=4 6446 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,1,0,0,0,0|1,0,2]=4 6447 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,1,0,0,0,0|1,0,2]=4 6448 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,1,0,0,0,0|1,0,2]=4 6449 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,1,0,0,0,0|1,0,1]=3 6450 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,1,0,0,0,0|1,0,1]=3 6451 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,1,0,0,0,0|1,0,1]=3 6452 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,1,0,0,0,0|2,0,1]=4 6453 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,1,0,0,0,0|2,0,1]=4 6454 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,1,0,0,0,0|1,0,2]=4 6455 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,1,0,0,0,0|1,0,2]=4 6456 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,1,0,0,0,0|1,0,2]=4 6457 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,1,0,0,0,0|1,0,2]=4 6458 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,1,0,0,0,0|1,0,2]=4 6459 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,1,0,0,0,0|1,0,1]=3 6460 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,1,0,0,0,0|1,0,1]=3 6461 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,1,0,0,0,0|2,0,1]=4 6462 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,1,0,0,0,0|2,0,1]=4 6463 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,1,0,0,0,0|1,0,1]=3 6464 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,1,0,0,0,0|1,0,2]=4 6465 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,1,0,0,0,0|1,0,2]=4 6466 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,1,0,0,0,0|1,0,2]=4 6467 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,1,0,0,0,0|1,0,2]=4 6468 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,1,0,0,0,0|1,0,2]=4 6469 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,1,0,0,0,0|1,0,1]=3 6470 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,1,0,0,0,0|1,0,1]=3 6471 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,1,0,0,0,0|1,0,1]=3 6472 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,1,0,0,0,0|1,0,1]=3 6473 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,1,0,0,0,0|1,0,2]=4 6474 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,1,0,0,0,0|1,0,2]=4 6475 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,1,0,0,0,0|1,0,2]=4 6476 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,1,0,0,0,0|1,0,2]=4 6477 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,1,0,0,0,0|1,0,1]=3 6478 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,1,0,0,0,0|1,0,1]=3 6479 B12R0.5 OCC#CCNCCCCCCO 2230a_100000686447_200000047223 [0,1,0,0,0,0|1,0,2]=4 6480 B12R0.5 OCC#CCNCCCCCCO 34a_100000686447_200000047223 [0,1,0,0,0,0|1,0,2]=4 6481 B12R0.5 OCC#CCOCCCCCCBr 34a_100011215345_200000047223 [0,1,0,0,0,0|1,0,2]=4 6482 B12R0.5 OCC#CCOCCCCCCBr 7a_100011215345_200000047223 [0,1,0,0,0,0|1,0,2]=4 6483 B12R0.5 OCC#CCOCCCCCCCl 34a_100000766143_200000047223 [0,1,0,0,0,0|1,0,2]=4 6484 B12R0.5 OCC#CCOCCCCCCCl 7a_100000766143_200000047223 [0,1,0,0,0,0|1,0,2]=4 6485 B12R0.5 OCC#CCOCCCCCCF 34a_100000732779_200000047223 [0,1,0,0,0,0|1,0,2]=4 6486 B12R0.5 OCC#CCOCCCCCCF 7a_100000732779_200000047223 [0,1,0,0,0,0|1,0,2]=4 6487 B12R0.5 OCC#CCSCCCCCCF 62a_100015922095_200000047223 [0,1,0,0,0,0|1,0,2]=4 6488 B12R0.5 OCC#CCSCCCCCCF 62a_200000047223_100015922095 [0,1,0,0,0,0|1,0,2]=4 6489 B12R0.5 OCC#CCSCCCCCCO 62a_100000766143_200000047223 [0,1,0,0,0,0|1,0,2]=4 6490 B12R0.5 OCC#CCSCCCCCCO 62a_200000047223_100000766143 [0,1,0,0,0,0|1,0,2]=4 6491 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,1,0,0,0,0|1,0,0]=2 6492 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,1,0,0,0,0|1,0,0]=2 6493 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,1,0,0,0,0|1,0,0]=2 6494 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,1,0,0,0,0|1,0,0]=2 6495 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,1,0,0,0,0|1,0,0]=2 6496 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|1,0,0]=2 6497 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,1,0,0,0,0|1,0,0]=2 6498 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,1,0,0,0,0|1,0,0]=2 6499 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,1,0,0,0,0|1,0,0]=2 6500 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,0]=2 6501 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,1,0,0,0,0|1,0,0]=2 6502 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,1,0,0,0,0|1,0,0]=2 6503 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,1,0,0,0,0|1,0,0]=2 6504 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,1,0,0,0,0|1,0,0]=2 6505 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,1,0,0,0,0|1,0,0]=2 6506 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,1,0,0,0,0|1,0,0]=2 6507 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,1,0,0,0,0|1,0,0]=2 6508 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,1,0,0,0,0|1,0,0]=2 6509 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,1,0,0,0,0|1,0,0]=2 6510 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,1,0,0,0,0|1,0,0]=2 6511 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,0]=2 6512 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,1,0,0,0,0|1,0,0]=2 6513 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,1,0,0,0,0|1,0,0]=2 6514 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,1,0,0,0,0|1,0,0]=2 6515 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,1,0,0,0,0|1,0,0]=2 6516 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,1,0,0,0,0|1,0,0]=2 6517 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,1,0,0,0,0|1,0,0]=2 6518 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,1,0,0,0,0|1,0,0]=2 6519 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,1,0,0,0,0|1,0,0]=2 6520 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,1,0,0,0,0|1,0,0]=2 6521 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,1,0,0,0,0|1,0,0]=2 6522 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,1,0,0,0,0|1,0,0]=2 6523 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,0]=2 6524 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,0]=2 6525 B12R0.5 OCCCCCCOCC#CCCl 34a_200000047223_100000766143 [0,1,0,0,0,0|1,0,2]=4 6526 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,1,0,0,0,0|1,0,0]=2 6527 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,1,0,0,0,0|1,0,0]=2 6528 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,1,0,0,0,0|1,0,0]=2 6529 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,1,0,0,0,0|1,0,0]=2 6530 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,1,0,0,0,0|1,0,0]=2 6531 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,1,0,0,0,0|1,0,0]=2 6532 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,1,0,0,0,0|1,0,0]=2 6533 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,1,0,0,0,0|1,0,0]=2 6534 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,1,0,0,0,0|1,0,0]=2 6535 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,1,0,0,0,0|1,0,0]=2 6536 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,1,0,0,0,0|1,0,0]=2 6537 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,1,0,0,0,0|1,0,0]=2 6538 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,1,0,0,0,0|1,0,0]=2 6539 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,0]=2 6540 B12R0.5 OCCCCCNCCOCCO 2230a_100000211614_100000746330 [0,1,0,0,0,0|2,0,0]=3 6541 B12R0.5 OCCCCCNCCOCCO 2230a_100000762737_100011215305 [0,1,0,0,0,0|2,0,0]=3 6542 B12R0.5 OCCCCCNCCOCCO 34a_100000211614_100000746330 [0,1,0,0,0,0|2,0,0]=3 6543 B12R0.5 OCCCCCNCCOCCO 34a_100000762737_100000692535 [0,1,0,0,0,0|2,0,0]=3 6544 B12R0.5 OCCCCCNCCSCCO 2230a_100011219999_100000746330 [0,1,0,0,0,0|2,0,0]=3 6545 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,1,0,0,0,0|1,0,0]=2 6546 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,1,0,0,0,0|1,0,0]=2 6547 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,1,0,0,0,0|1,0,0]=2 6548 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,1,0,0,0,0|1,0,0]=2 6549 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,1,0,0,0,0|1,0,0]=2 6550 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,1,0,0,0,0|1,0,0]=2 6551 B12R0.5 OCCCCCOCCOCCBr 34a_100000692535_100000746330 [0,1,0,0,0,0|2,0,0]=3 6552 B12R0.5 OCCCCCOCCOCCBr 7a_100000692535_100000746330 [0,1,0,0,0,0|2,0,0]=3 6553 B12R0.5 OCCCCCOCCOCCCl 34a_100011215305_100000746330 [0,1,0,0,0,0|2,0,0]=3 6554 B12R0.5 OCCCCCOCCOCCCl 7a_100011215305_100000746330 [0,1,0,0,0,0|2,0,0]=3 6555 B12R0.5 OCCCCCOCCOCCF 34a_200015357709_100000746330 [0,1,0,0,0,0|2,0,0]=3 6556 B12R0.5 OCCCCCOCCOCCF 7a_200015357709_100000746330 [0,1,0,0,0,0|2,0,0]=3 6557 B12R0.5 OCCCCCOCCOCCI 34a_100012149058_100000746330 [0,1,0,0,0,0|2,0,0]=3 6558 B12R0.5 OCCCCCOCCOCCI 7a_100012149058_100000746330 [0,1,0,0,0,0|2,0,0]=3 6559 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,1,0,0,0,0|1,0,0]=2 6560 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,1,0,0,0,0|1,0,0]=2 6561 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,1,0,0,0,0|1,0,0]=2 6562 B12R0.5 OCCCCCSCCOCCO 62a_100000746330_100011215305 [0,1,0,0,0,0|2,0,0]=3 6563 B12R0.5 OCCCCCSCCOCCO 62a_100011215305_100000746330 [0,1,0,0,0,0|2,0,0]=3 6564 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,1,0,0,0,0|1,0,0]=2 6565 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,1,0,0,0,0|1,0,0]=2 6566 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,1,0,0,0,0|1,0,0]=2 6567 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,1,0,0,0,0|1,0,0]=2 6568 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,1,0,0,0,0|1,0,0]=2 6569 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,1,0,0,0,0|1,0,0]=2 6570 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,1,0,0,0,0|1,0,0]=2 6571 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,1,0,0,0,0|1,0,0]=2 6572 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,1,0,0,0,0|1,0,0]=2 6573 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,1,0,0,0,0|1,0,0]=2 6574 B12R0.5 OCCCNCCCOCCCO 2230a_100011310245_100000230001 [0,1,0,0,0,0|2,0,0]=3 6575 B12R0.5 OCCCNCCCOCCCO 34a_100011310245_100000230001 [0,1,0,0,0,0|2,0,0]=3 6576 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,1,0,0,0,0|1,0,0]=2 6577 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,1,0,0,0,0|1,0,0]=2 6578 B12R0.5 OCCCOCCCNCCCF 2230a_100011310245_100011934791 [0,1,0,0,0,0|2,0,0]=3 6579 B12R0.5 OCCCOCCCNCCCF 34a_100011310245_100011934791 [0,1,0,0,0,0|2,0,0]=3 6580 B12R0.5 OCCNCCOCCOCCO 2230a_100011998139_100000211926 [0,1,0,0,0,0|3,0,0]=4 6581 B12R0.5 OCCNCCOCCOCCO 2230a_100016997473_100000032323 [0,1,0,0,0,0|3,0,0]=4 6582 B12R0.5 OCCNCCOCCOCCO 34a_100011998139_100000211926 [0,1,0,0,0,0|3,0,0]=4 6583 B12R0.5 OCCNCCOCCOCCO 34a_100016990907_100000032323 [0,1,0,0,0,0|3,0,0]=4 6584 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,1,0,0,0,0|1,0,0]=2 6585 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,1,0,0,0,0|1,0,0]=2 6586 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,1,0,0,0,0|1,0,0]=2 6587 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,1,0,0,0,0|1,0,0]=2 6588 B12R0.5 OCCOCCNCCCCCF 2230a_100000211614_100000729378 [0,1,0,0,0,0|2,0,0]=3 6589 B12R0.5 OCCOCCNCCCCCF 34a_100000211614_100000729378 [0,1,0,0,0,0|2,0,0]=3 6590 B12R0.5 OCCOCCNCCOCCO 2230a_100000211614_100011215305 [0,1,0,0,0,0|3,0,0]=4 6591 B12R0.5 OCCOCCNCCOCCO 34a_100000211614_100000692535 [0,1,0,0,0,0|3,0,0]=4 6592 B12R0.5 OCCOCCNCCSCCO 2230a_100011219999_100011215305 [0,1,0,0,0,0|3,0,0]=4 6593 B12R0.5 OCCOCCOCCCCCBr 34a_100000746331_100000692535 [0,1,0,0,0,0|2,0,0]=3 6594 B12R0.5 OCCOCCOCCCCCBr 7a_100000746331_100011215305 [0,1,0,0,0,0|2,0,0]=3 6595 B12R0.5 OCCOCCOCCCCCCl 34a_100000746330_100000692535 [0,1,0,0,0,0|2,0,0]=3 6596 B12R0.5 OCCOCCOCCCCCCl 7a_100000746330_100011215305 [0,1,0,0,0,0|2,0,0]=3 6597 B12R0.5 OCCOCCOCCCCCI 34a_200012148887_100000692535 [0,1,0,0,0,0|2,0,0]=3 6598 B12R0.5 OCCOCCOCCCCCI 7a_200012148887_100011215305 [0,1,0,0,0,0|2,0,0]=3 6599 B12R0.5 OCCOCCOCCCNCF 34a_100011996194_100015361967 [0,1,0,0,0,0|3,0,0]=4 6600 B12R0.5 OCCOCCOCCNCCF 2230a_100011998139_100011217306 [0,1,0,0,0,0|3,0,0]=4 6601 B12R0.5 OCCOCCOCCNCCF 34a_100000724931_100000032323 [0,1,0,0,0,0|3,0,0]=4 6602 B12R0.5 OCCOCCOCCNCCF 34a_100011998139_100011217306 [0,1,0,0,0,0|3,0,0]=4 6603 B12R0.5 OCCOCCOCCOCCBr 34a_100000211926_100000032323 [0,1,0,0,0,0|3,0,0]=4 6604 B12R0.5 OCCOCCOCCOCCBr 34a_100000692535_100000692535 [0,1,0,0,0,0|3,0,0]=4 6605 B12R0.5 OCCOCCOCCOCCBr 34a_100010132937_100000211926 [0,1,0,0,0,0|3,0,0]=4 6606 B12R0.5 OCCOCCOCCOCCBr 7a_100000692535_100011215305 [0,1,0,0,0,0|3,0,0]=4 6607 B12R0.5 OCCOCCOCCOCCBr 7a_100010132937_100000211926 [0,1,0,0,0,0|3,0,0]=4 6608 B12R0.5 OCCOCCOCCOCCCl 34a_100000032323_100000211926 [0,1,0,0,0,0|3,0,0]=4 6609 B12R0.5 OCCOCCOCCOCCCl 34a_100011215305_100000692535 [0,1,0,0,0,0|3,0,0]=4 6610 B12R0.5 OCCOCCOCCOCCCl 7a_100000032323_100000211926 [0,1,0,0,0,0|3,0,0]=4 6611 B12R0.5 OCCOCCOCCOCCCl 7a_100011215305_100011215305 [0,1,0,0,0,0|3,0,0]=4 6612 B12R0.5 OCCOCCOCCOCCF 34a_200015357709_100000692535 [0,1,0,0,0,0|3,0,0]=4 6613 B12R0.5 OCCOCCOCCOCCF 7a_200015357709_100011215305 [0,1,0,0,0,0|3,0,0]=4 6614 B12R0.5 OCCOCCOCCOCCI 34a_100012149058_100000692535 [0,1,0,0,0,0|3,0,0]=4 6615 B12R0.5 OCCOCCOCCOCCI 7a_100012149058_100011215305 [0,1,0,0,0,0|3,0,0]=4 6616 B12R0.5 OCCOCCOCCSCCF 62a_100000032323_100011217306 [0,1,0,0,0,0|3,0,0]=4 6617 B12R0.5 OCCOCCOCCSCCF 62a_100011217306_100000032323 [0,1,0,0,0,0|3,0,0]=4 6618 B12R0.5 OCCOCCOCCSCCO 62a_100000032323_100000211926 [0,1,0,0,0,0|3,0,0]=4 6619 B12R0.5 OCCOCCOCCSCCO 62a_100000211926_100000032323 [0,1,0,0,0,0|3,0,0]=4 6620 B12R0.5 OCCOCCSCCCCCF 62a_100000729378_100011215305 [0,1,0,0,0,0|2,0,0]=3 6621 B12R0.5 OCCOCCSCCCCCF 62a_100011215305_100000729378 [0,1,0,0,0,0|2,0,0]=3 6622 B12R0.5 OCCOCCSCCOCCO 62a_100011215305_100011215305 [0,1,0,0,0,0|3,0,0]=4 6623 B12R0.5 OCCSCCNCCCCCF 2230a_100011219999_100000729378 [0,1,0,0,0,0|2,0,0]=3 6624 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,1,0,0,0,0|0,0,0]=1 6625 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,1,0,0,0,0|0,0,0]=1 6626 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,1,0,0,0,0|1,0,0]=2 6627 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,1,0,0,0,0|1,0,0]=2 6628 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,1,0,0,0,0|1,0,0]=2 6629 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,1,0,0,0,0|1,0,0]=2 6630 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,1,0,0,0,0|1,0,0]=2 6631 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,1,0,0,0,0|0,0,0]=1 6632 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,1,0,0,0,0|0,0,0]=1 6633 B12R0.5 [N-]=[N+]=NCCCCCCNCCO 2230a_200000049180_100000211926 [0,1,0,0,0,0|3,0,0]=4 6634 B12R0.5 [N-]=[N+]=NCCCCNCCCCO 2230a_100000101370_100000210776 [0,1,0,0,0,0|3,0,0]=4 6635 B12R0.5 [N-]=[N+]=NCCCNCCCCCO 2230a_100000744732_100000746330 [0,1,0,0,0,0|3,0,0]=4 6636 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,1,0,0,0,0|1,0,2]=4 6637 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,1,0,0,0,0|1,0,2]=4 6638 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [0,1,0,0,0,0|0,0,3]=4 6639 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [0,1,0,0,0,0|0,0,3]=4 6640 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,1,0,0,0,0|1,0,2]=4 6641 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,1,0,0,0,0|1,0,2]=4 6642 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000695505_100010269958 [0,1,0,0,0,0|0,0,3]=4 6643 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000696528_100000210776 [0,1,0,0,0,0|0,0,3]=4 6644 B12R0.47 C#CCCCCN(C)CCCCC 2230a_100000223495_100010269958 [0,1,0,0,0,0|2,0,1]=4 6645 B12R0.47 C#CCCCCN(C)CCCCC 269982a_100000223495_100010269958 [0,1,0,0,0,0|2,0,1]=4 6646 B12R0.47 C#CCCCCN(C)CCCCO 2230a_100000717598_100010269958 [0,1,0,0,0,0|1,0,2]=4 6647 B12R0.47 C#CCCCCN(C)CCCCO 269982a_100000717598_100010269958 [0,1,0,0,0,0|1,0,2]=4 6648 B12R0.47 C#CCCCN(C)CCCCCC 2230a_106256046315_100000731252 [0,1,0,0,0,0|2,0,1]=4 6649 B12R0.47 C#CCCCN(C)CCCCCC 269982a_106256046315_100011215417 [0,1,0,0,0,0|2,0,1]=4 6650 B12R0.47 C#CCCCN(C)CCCCCO 2230a_100000722520_100000731252 [0,1,0,0,0,0|1,0,2]=4 6651 B12R0.47 C#CCCCN(C)CCCCCO 269982a_100000722520_100011215417 [0,1,0,0,0,0|1,0,2]=4 6652 B12R0.47 C#CCCCNC(C)CCCCC 2230a_100000211957_100000731252 [0,1,0,0,0,0|2,0,1]=4 6653 B12R0.47 C#CCCCNC(C)CCCCC 270004a_100000718082_100000211708 [0,1,0,0,0,0|2,0,1]=4 6654 B12R0.47 C#CCCCNC(C)CCCCC 34a_100000718082_200011218191 [0,1,0,0,0,0|2,0,1]=4 6655 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,1,0,0,0,0|2,0,1]=4 6656 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,1,0,0,0,0|2,0,1]=4 6657 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,1,0,0,0,0|2,0,1]=4 6658 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,1,0,0,0,0|2,0,1]=4 6659 B12R0.47 C#CCCCSC(C)CCCCC 62a_100011215417_200011218191 [0,1,0,0,0,0|2,0,1]=4 6660 B12R0.47 C#CCCCSC(C)CCCCC 62a_200011218191_100011215417 [0,1,0,0,0,0|2,0,1]=4 6661 B12R0.47 C#CCCNC(C)CCCCCC 2230a_100000210919_100000688953 [0,1,0,0,0,0|2,0,1]=4 6662 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000210919_100000688953 [0,1,0,0,0,0|2,0,1]=4 6663 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000755551_100011215978 [0,1,0,0,0,0|2,0,1]=4 6664 B12R0.47 C#CCCOC(C)CCCCCC 34a_100000210265_100000688953 [0,1,0,0,0,0|2,0,1]=4 6665 B12R0.47 C#CCCOC(C)CCCCCC 34a_100011215631_100011215978 [0,1,0,0,0,0|2,0,1]=4 6666 B12R0.47 C#CCCOC(C)CCCCCC 7a_100000210265_100000688953 [0,1,0,0,0,0|2,0,1]=4 6667 B12R0.47 C#CCCSC(C)CCCCCC 62a_100000688953_100011215978 [0,1,0,0,0,0|2,0,1]=4 6668 B12R0.47 C#CCCSC(C)CCCCCC 62a_100011215978_100000688953 [0,1,0,0,0,0|2,0,1]=4 6669 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,1,0,0,0,0|1,0,2]=4 6670 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,1,0,0,0,0|1,0,2]=4 6671 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,1,0,0,0,0|0,0,3]=4 6672 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,1,0,0,0,0|0,0,3]=4 6673 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,1,0,0,0,0|1,0,2]=4 6674 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,1,0,0,0,0|1,0,2]=4 6675 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,1,0,0,0,0|0,0,3]=4 6676 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,1,0,0,0,0|0,0,3]=4 6677 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [0,1,0,0,0,0|2,0,1]=4 6678 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [0,1,0,0,0,0|2,0,1]=4 6679 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [0,1,0,0,0,0|2,0,1]=4 6680 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [0,1,0,0,0,0|2,0,1]=4 6681 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100000717598_100011215482 [0,1,0,0,0,0|1,0,2]=4 6682 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100012000471_100000210776 [0,1,0,0,0,0|1,0,2]=4 6683 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100000717598_100011215482 [0,1,0,0,0,0|1,0,2]=4 6684 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100012000471_100000210776 [0,1,0,0,0,0|1,0,2]=4 6685 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [0,1,0,0,0,0|2,0,1]=4 6686 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [0,1,0,0,0,0|2,0,1]=4 6687 B12R0.47 C=CCCCN(C)CCCCCO 2230a_100000722520_100011713584 [0,1,0,0,0,0|1,0,2]=4 6688 B12R0.47 C=CCCCN(C)CCCCCO 269982a_100000722520_100000757094 [0,1,0,0,0,0|1,0,2]=4 6689 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [0,1,0,0,0,0|2,0,1]=4 6690 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [0,1,0,0,0,0|2,0,1]=4 6691 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [0,1,0,0,0,0|2,0,1]=4 6692 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [0,1,0,0,0,0|2,0,1]=4 6693 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,1,0,0,0,0|2,0,1]=4 6694 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,1,0,0,0,0|2,0,1]=4 6695 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,1,0,0,0,0|2,0,1]=4 6696 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,1,0,0,0,0|2,0,1]=4 6697 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [0,1,0,0,0,0|2,0,1]=4 6698 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [0,1,0,0,0,0|2,0,1]=4 6699 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [0,1,0,0,0,0|2,0,1]=4 6700 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [0,1,0,0,0,0|2,0,1]=4 6701 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [0,1,0,0,0,0|2,0,1]=4 6702 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [0,1,0,0,0,0|2,0,1]=4 6703 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,1,0,0,0,0|2,0,1]=4 6704 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,1,0,0,0,0|2,0,1]=4 6705 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,1,0,0,0,0|2,0,1]=4 6706 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [0,1,0,0,0,0|2,0,1]=4 6707 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [0,1,0,0,0,0|2,0,1]=4 6708 B12R0.47 CC(CCCC#N)NCCCCO 270004a_100000750430_200000032708 [0,1,0,0,0,0|2,0,1]=4 6709 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,1,0,0,0,0|0,0,3]=4 6710 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,1,0,0,0,0|0,0,3]=4 6711 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [0,1,0,0,0,0|0,0,3]=4 6712 B12R0.47 CC/C=C\CCN(C)CCCCO 2230a_100000717598_100015370543 [0,1,0,0,0,0|1,0,2]=4 6713 B12R0.47 CC/C=C\CCN(C)CCCCO 269982a_100000717598_100015370543 [0,1,0,0,0,0|1,0,2]=4 6714 B12R0.47 CC/C=C\CN(C)CCCCCO 2230a_100000722520_100103147603 [0,1,0,0,0,0|1,0,2]=4 6715 B12R0.47 CC/C=C\CN(C)CCCCCO 269982a_100000722520_100103147603 [0,1,0,0,0,0|1,0,2]=4 6716 B12R0.47 CCC#CCC(=O)CCCCCO 1458a_100102619762_100009813939 [0,1,0,0,0,0|0,0,3]=4 6717 B12R0.47 CCC#CCC(C)OCCCCO 34a_200000035118_100011216708 [0,1,0,0,0,0|1,0,2]=4 6718 B12R0.47 CCC#CCC(C)OCCCCO 7a_200000035118_100000210776 [0,1,0,0,0,0|1,0,2]=4 6719 B12R0.47 CCC#CCN(C)CCCCCO 2230a_100000722520_100009813939 [0,1,0,0,0,0|1,0,2]=4 6720 B12R0.47 CCC/C=C/CC(=O)CCCCO 1458a_200016266809_100000210776 [0,1,0,0,0,0|0,0,3]=4 6721 B12R0.47 CCCC#CC(=O)CCCCCO 1458a_200011218047_100000746330 [0,1,0,0,0,0|0,0,3]=4 6722 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [0,1,0,0,0,0|0,0,3]=4 6723 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [0,1,0,0,0,0|0,0,3]=4 6724 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,1,0,0,0,0|1,0,2]=4 6725 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,1,0,0,0,0|1,0,1]=3 6726 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,1,0,0,0,0|0,0,1]=2 6727 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,1,0,0,0,0|0,0,1]=2 6728 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,1,0,0,0,0|2,0,1]=4 6729 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,1,0,0,0,0|2,0,1]=4 6730 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,1,0,0,0,0|2,0,1]=4 6731 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,1,0,0,0,0|1,0,1]=3 6732 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,1,0,0,0,0|1,0,1]=3 6733 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,1,0,0,0,0|2,0,1]=4 6734 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,1,0,0,0,0|2,0,1]=4 6735 B12R0.47 CCCCCC(=O)CNCCCF 2230a_100015189416_200012276598 [0,1,0,0,0,0|2,0,1]=4 6736 B12R0.47 CCCCCC(=O)CNCCCF 34a_100015189416_200012276598 [0,1,0,0,0,0|2,0,1]=4 6737 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [0,1,0,0,0,0|2,0,1]=4 6738 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,1,0,0,0,0|2,0,1]=4 6739 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,1,0,0,0,0|2,0,1]=4 6740 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,1,0,0,0,0|2,0,1]=4 6741 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,1,0,0,0,0|2,0,1]=4 6742 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [0,1,0,0,0,0|2,0,1]=4 6743 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [0,1,0,0,0,0|2,0,1]=4 6744 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [0,1,0,0,0,0|2,0,1]=4 6745 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,1,0,0,0,0|2,0,1]=4 6746 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,1,0,0,0,0|2,0,1]=4 6747 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,1,0,0,0,0|2,0,1]=4 6748 B12R0.47 CCCCCC(=O)CSCCCF 62a_100011934791_200012276598 [0,1,0,0,0,0|2,0,1]=4 6749 B12R0.47 CCCCCC(=O)CSCCCF 62a_200012276598_100011934791 [0,1,0,0,0,0|2,0,1]=4 6750 B12R0.47 CCCCCC(=O)CSCCCO 62a_100011215043_200012276598 [0,1,0,0,0,0|1,0,1]=3 6751 B12R0.47 CCCCCC(=O)CSCCCO 62a_200012276598_100011215043 [0,1,0,0,0,0|1,0,1]=3 6752 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [0,1,0,0,0,0|1,0,1]=3 6753 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [0,1,0,0,0,0|1,0,1]=3 6754 B12R0.47 CCCCCC(C)NCC#CCO 2230a_100000211957_200000047223 [0,1,0,0,0,0|1,0,2]=4 6755 B12R0.47 CCCCCC(C)NCCCC#N 2230a_100000211957_100000687738 [0,1,0,0,0,0|2,0,1]=4 6756 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [0,1,0,0,0,0|1,0,2]=4 6757 B12R0.47 CCCCCC(C)NCCCCF 2230a_100000211957_100000729493 [0,1,0,0,0,0|2,0,0]=3 6758 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,1,0,0,0,0|1,0,0]=2 6759 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,1,0,0,0,0|1,0,0]=2 6760 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,1,0,0,0,0|1,0,0]=2 6761 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,1,0,0,0,0|1,0,0]=2 6762 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [0,1,0,0,0,0|3,0,0]=4 6763 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [0,1,0,0,0,0|3,0,0]=4 6764 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [0,1,0,0,0,0|3,0,0]=4 6765 B12R0.47 CCCCCC(C)NCCCSC 2230a_100000749238_200011218191 [0,1,0,0,0,0|3,0,0]=4 6766 B12R0.47 CCCCCC(C)NCCCSC 270004a_100000749238_100000211708 [0,1,0,0,0,0|3,0,0]=4 6767 B12R0.47 CCCCCC(C)NCCOCC 2230a_100000211957_100011215890 [0,1,0,0,0,0|3,0,0]=4 6768 B12R0.47 CCCCCC(C)NCCOCC 2230a_102516460346_200011218191 [0,1,0,0,0,0|3,0,0]=4 6769 B12R0.47 CCCCCC(C)NCCOCC 270004a_102516460346_100000211708 [0,1,0,0,0,0|3,0,0]=4 6770 B12R0.47 CCCCCC(C)NCCOCC 34a_102516460346_200011218191 [0,1,0,0,0,0|3,0,0]=4 6771 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000106463_200011218191 [0,1,0,0,0,0|3,0,0]=4 6772 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000211957_100000757381 [0,1,0,0,0,0|3,0,0]=4 6773 B12R0.47 CCCCCC(C)NCCSCC 270004a_100000106463_100000211708 [0,1,0,0,0,0|3,0,0]=4 6774 B12R0.47 CCCCCC(C)OCC#CCO 34a_100011215632_200000047223 [0,1,0,0,0,0|1,0,2]=4 6775 B12R0.47 CCCCCC(C)OCC#CCO 7a_100011215632_200000047223 [0,1,0,0,0,0|1,0,2]=4 6776 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,1,0,0,0,0|2,0,1]=4 6777 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,1,0,0,0,0|1,0,2]=4 6778 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,1,0,0,0,0|2,0,0]=3 6779 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,1,0,0,0,0|2,0,0]=3 6780 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,1,0,0,0,0|2,0,0]=3 6781 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,1,0,0,0,0|2,0,0]=3 6782 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,1,0,0,0,0|2,0,0]=3 6783 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,1,0,0,0,0|2,0,0]=3 6784 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,1,0,0,0,0|2,0,0]=3 6785 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,1,0,0,0,0|2,0,0]=3 6786 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,1,0,0,0,0|2,0,0]=3 6787 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,1,0,0,0,0|1,0,0]=2 6788 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,1,0,0,0,0|1,0,0]=2 6789 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,1,0,0,0,0|3,0,0]=4 6790 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,1,0,0,0,0|3,0,0]=4 6791 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,1,0,0,0,0|3,0,0]=4 6792 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,1,0,0,0,0|3,0,0]=4 6793 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,1,0,0,0,0|3,0,0]=4 6794 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,1,0,0,0,0|3,0,0]=4 6795 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [0,1,0,0,0,0|3,0,0]=4 6796 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [0,1,0,0,0,0|3,0,0]=4 6797 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [0,1,0,0,0,0|3,0,0]=4 6798 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [0,1,0,0,0,0|3,0,0]=4 6799 B12R0.47 CCCCCC(C)OCCSCC 34a_100000212035_200011218191 [0,1,0,0,0,0|3,0,0]=4 6800 B12R0.47 CCCCCC(C)OCCSCC 34a_100011215632_100000757381 [0,1,0,0,0,0|3,0,0]=4 6801 B12R0.47 CCCCCC(C)OCCSCC 7a_100000212035_200011218191 [0,1,0,0,0,0|3,0,0]=4 6802 B12R0.47 CCCCCC(C)OCCSCC 7a_100011215632_100000757381 [0,1,0,0,0,0|3,0,0]=4 6803 B12R0.47 CCCCCC(C)SCC#CCO 62a_200000047223_200011218191 [0,1,0,0,0,0|1,0,2]=4 6804 B12R0.47 CCCCCC(C)SCC#CCO 62a_200011218191_200000047223 [0,1,0,0,0,0|1,0,2]=4 6805 B12R0.47 CCCCCC(C)SCCCC#N 62a_100000687738_200011218191 [0,1,0,0,0,0|2,0,1]=4 6806 B12R0.47 CCCCCC(C)SCCCC#N 62a_200011218191_100000687738 [0,1,0,0,0,0|2,0,1]=4 6807 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [0,1,0,0,0,0|1,0,2]=4 6808 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [0,1,0,0,0,0|1,0,2]=4 6809 B12R0.47 CCCCCC(C)SCCCCF 62a_100000729493_200011218191 [0,1,0,0,0,0|2,0,0]=3 6810 B12R0.47 CCCCCC(C)SCCCCF 62a_200011218191_100000729493 [0,1,0,0,0,0|2,0,0]=3 6811 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,1,0,0,0,0|1,0,0]=2 6812 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,1,0,0,0,0|1,0,0]=2 6813 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [0,1,0,0,0,0|3,0,0]=4 6814 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [0,1,0,0,0,0|3,0,0]=4 6815 B12R0.47 CCCCCC(C)SCCOCC 62a_100000210147_200011218191 [0,1,0,0,0,0|3,0,0]=4 6816 B12R0.47 CCCCCC(C)SCCOCC 62a_200011218191_100011215890 [0,1,0,0,0,0|3,0,0]=4 6817 B12R0.47 CCCCCC(C)SCCSCC 62a_100000757381_200011218191 [0,1,0,0,0,0|3,0,0]=4 6818 B12R0.47 CCCCCC(C)SCCSCC 62a_200011218191_100000757381 [0,1,0,0,0,0|3,0,0]=4 6819 B12R0.47 CCCCCCC(=NNCCO)C 4a_100000210001_100000210826 [0,1,0,0,0,0|2,0,1]=4 6820 B12R0.47 CCCCCCC(=O)CC#CCO 1458a_100102632555_200000047223 [0,1,0,0,0,0|0,0,3]=4 6821 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,1,0,0,0,0|1,0,2]=4 6822 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,1,0,0,0,0|1,0,2]=4 6823 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,1,0,0,0,0|1,0,1]=3 6824 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,1,0,0,0,0|1,0,1]=3 6825 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,1,0,0,0,0|1,0,1]=3 6826 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,1,0,0,0,0|0,0,1]=2 6827 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,1,0,0,0,0|0,0,1]=2 6828 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,1,0,0,0,0|2,0,1]=4 6829 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,1,0,0,0,0|2,0,1]=4 6830 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,1,0,0,0,0|2,0,1]=4 6831 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,1,0,0,0,0|2,0,1]=4 6832 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,1,0,0,0,0|2,0,1]=4 6833 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,1,0,0,0,0|2,0,1]=4 6834 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,1,0,0,0,0|2,0,1]=4 6835 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,1,0,0,0,0|2,0,1]=4 6836 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,1,0,0,0,0|1,0,1]=3 6837 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,1,0,0,0,0|2,0,1]=4 6838 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,1,0,0,0,0|2,0,1]=4 6839 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,1,0,0,0,0|2,0,1]=4 6840 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,1,0,0,0,0|2,0,1]=4 6841 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,1,0,0,0,0|2,0,1]=4 6842 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,1,0,0,0,0|2,0,1]=4 6843 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,1,0,0,0,0|2,0,1]=4 6844 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,1,0,0,0,0|2,0,1]=4 6845 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,1,0,0,0,0|2,0,1]=4 6846 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,1,0,0,0,0|1,0,1]=3 6847 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,1,0,0,0,0|1,0,1]=3 6848 B12R0.47 CCCCCCC(=O)NNCCO 22a_100000210001_100102632555 [0,1,0,0,0,0|2,0,1]=4 6849 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [0,1,0,0,0,0|2,0,0]=3 6850 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [0,1,0,0,0,0|2,0,0]=3 6851 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [0,1,0,0,0,0|2,0,0]=3 6852 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [0,1,0,0,0,0|2,0,0]=3 6853 B12R0.47 CCCCCCC(C)NCCC#N 2230a_100000210919_100011215226 [0,1,0,0,0,0|2,0,1]=4 6854 B12R0.47 CCCCCCC(C)NCCC#N 270004a_100000720768_100000210826 [0,1,0,0,0,0|2,0,1]=4 6855 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000102301_100011215978 [0,1,0,0,0,0|2,0,0]=3 6856 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000210919_100000210211 [0,1,0,0,0,0|2,0,0]=3 6857 B12R0.47 CCCCCCC(C)NCCCC 270004a_100000102301_100000210826 [0,1,0,0,0,0|2,0,0]=3 6858 B12R0.47 CCCCCCC(C)NCCCC 34a_100000210919_100000210210 [0,1,0,0,0,0|2,0,0]=3 6859 B12R0.47 CCCCCCC(C)NCCCC 7a_106832991798_100011215978 [0,1,0,0,0,0|2,0,0]=3 6860 B12R0.47 CCCCCCC(C)NCCCF 2230a_100000210919_100011934791 [0,1,0,0,0,0|2,0,0]=3 6861 B12R0.47 CCCCCCC(C)NCCCF 2230a_100015189416_100011215978 [0,1,0,0,0,0|2,0,0]=3 6862 B12R0.47 CCCCCCC(C)NCCCF 270004a_100015189416_100000210826 [0,1,0,0,0,0|2,0,0]=3 6863 B12R0.47 CCCCCCC(C)NCCCF 34a_100000210919_100011934791 [0,1,0,0,0,0|2,0,0]=3 6864 B12R0.47 CCCCCCC(C)NCCCF 34a_100015189416_100011215978 [0,1,0,0,0,0|2,0,0]=3 6865 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [0,1,0,0,0,0|1,0,0]=2 6866 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [0,1,0,0,0,0|1,0,0]=2 6867 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [0,1,0,0,0,0|1,0,0]=2 6868 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000209980_100011215978 [0,1,0,0,0,0|3,0,0]=4 6869 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000210919_100011201679 [0,1,0,0,0,0|3,0,0]=4 6870 B12R0.47 CCCCCCC(C)NCCOC 270004a_100000209980_100000210826 [0,1,0,0,0,0|3,0,0]=4 6871 B12R0.47 CCCCCCC(C)NCCOC 34a_100000210919_100011201679 [0,1,0,0,0,0|3,0,0]=4 6872 B12R0.47 CCCCCCC(C)NCCSC 2230a_100000210919_100000751147 [0,1,0,0,0,0|3,0,0]=4 6873 B12R0.47 CCCCCCC(C)NCCSC 2230a_100020590264_100011215978 [0,1,0,0,0,0|3,0,0]=4 6874 B12R0.47 CCCCCCC(C)NCCSC 270004a_100020590264_100000210826 [0,1,0,0,0,0|3,0,0]=4 6875 B12R0.47 CCCCCCC(C)NCCSC 34a_100000210919_100000212216 [0,1,0,0,0,0|3,0,0]=4 6876 B12R0.47 CCCCCCC(C)OCCC#N 7a_100000210265_100000184422 [0,1,0,0,0,0|2,0,1]=4 6877 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,1,0,0,0,0|2,0,0]=3 6878 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,1,0,0,0,0|2,0,0]=3 6879 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,1,0,0,0,0|2,0,0]=3 6880 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,1,0,0,0,0|2,0,0]=3 6881 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,1,0,0,0,0|2,0,0]=3 6882 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,1,0,0,0,0|2,0,0]=3 6883 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,1,0,0,0,0|2,0,0]=3 6884 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,1,0,0,0,0|2,0,0]=3 6885 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,1,0,0,0,0|2,0,0]=3 6886 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,1,0,0,0,0|2,0,0]=3 6887 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,1,0,0,0,0|1,0,0]=2 6888 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,1,0,0,0,0|1,0,0]=2 6889 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,1,0,0,0,0|3,0,0]=4 6890 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,1,0,0,0,0|3,0,0]=4 6891 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,1,0,0,0,0|3,0,0]=4 6892 B12R0.47 CCCCCCC(C)OCCON 34a_100000700252_100011215978 [0,1,0,0,0,0|3,0,0]=4 6893 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,1,0,0,0,0|3,0,0]=4 6894 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,1,0,0,0,0|3,0,0]=4 6895 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,1,0,0,0,0|3,0,0]=4 6896 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,1,0,0,0,0|3,0,0]=4 6897 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215226_100011215978 [0,1,0,0,0,0|2,0,1]=4 6898 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215978_100011215226 [0,1,0,0,0,0|2,0,1]=4 6899 B12R0.47 CCCCCCC(C)SCCCC 62a_100000210211_100011215978 [0,1,0,0,0,0|2,0,0]=3 6900 B12R0.47 CCCCCCC(C)SCCCC 62a_100011215978_100000210210 [0,1,0,0,0,0|2,0,0]=3 6901 B12R0.47 CCCCCCC(C)SCCCF 62a_100011215978_100011934791 [0,1,0,0,0,0|2,0,0]=3 6902 B12R0.47 CCCCCCC(C)SCCCF 62a_100011934791_100011215978 [0,1,0,0,0,0|2,0,0]=3 6903 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [0,1,0,0,0,0|1,0,0]=2 6904 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [0,1,0,0,0,0|1,0,0]=2 6905 B12R0.47 CCCCCCC(C)SCCOC 62a_100000233755_100011215978 [0,1,0,0,0,0|3,0,0]=4 6906 B12R0.47 CCCCCCC(C)SCCOC 62a_100011215978_100000233755 [0,1,0,0,0,0|3,0,0]=4 6907 B12R0.47 CCCCCCC(C)SCCSC 62a_100000212216_100011215978 [0,1,0,0,0,0|3,0,0]=4 6908 B12R0.47 CCCCCCC(C)SCCSC 62a_100011215978_100000751147 [0,1,0,0,0,0|3,0,0]=4 6909 B12R0.47 CCCCCCC(C)SCOCC 62a_100000739092_100011215978 [0,1,0,0,0,0|3,0,0]=4 6910 B12R0.47 CCCCCCC(C)SCOCC 62a_100011215978_100000739092 [0,1,0,0,0,0|3,0,0]=4 6911 B12R0.47 CCCCCCN(C)CC#CCO 2230a_106256046315_200000047223 [0,1,0,0,0,0|1,0,2]=4 6912 B12R0.47 CCCCCCN(C)CCCC#N 2230a_106256046315_100000687738 [0,1,0,0,0,0|2,0,1]=4 6913 B12R0.47 CCCCCCN(C)CCCC#N 269982a_106256046315_100000687738 [0,1,0,0,0,0|2,0,1]=4 6914 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,1,0,0,0,0|1,0,2]=4 6915 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,1,0,0,0,0|1,0,2]=4 6916 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [0,1,0,0,0,0|2,0,0]=3 6917 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [0,1,0,0,0,0|2,0,0]=3 6918 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [0,1,0,0,0,0|2,0,0]=3 6919 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [0,1,0,0,0,0|2,0,0]=3 6920 B12R0.47 CCCCCCN(C)CCCCF 2230a_106256046315_100000729493 [0,1,0,0,0,0|2,0,0]=3 6921 B12R0.47 CCCCCCN(C)CCCCF 269982a_106256046315_100000729493 [0,1,0,0,0,0|2,0,0]=3 6922 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [0,1,0,0,0,0|1,0,0]=2 6923 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [0,1,0,0,0,0|1,0,0]=2 6924 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [0,1,0,0,0,0|1,0,0]=2 6925 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [0,1,0,0,0,0|1,0,0]=2 6926 B12R0.47 CCCCCCN(C)CCCOC 2230a_100000224831_100000210314 [0,1,0,0,0,0|3,0,0]=4 6927 B12R0.47 CCCCCCN(C)CCCOC 2230a_106256046315_100000740836 [0,1,0,0,0,0|3,0,0]=4 6928 B12R0.47 CCCCCCN(C)CCCOC 269982a_100000224831_100000210757 [0,1,0,0,0,0|3,0,0]=4 6929 B12R0.47 CCCCCCN(C)CCCOC 269982a_106256046315_100000740836 [0,1,0,0,0,0|3,0,0]=4 6930 B12R0.47 CCCCCCN(C)CCOCC 2230a_106256046315_100011215890 [0,1,0,0,0,0|3,0,0]=4 6931 B12R0.47 CCCCCCN(C)CCOCC 269982a_106256046315_100011215890 [0,1,0,0,0,0|3,0,0]=4 6932 B12R0.47 CCCCCCN(C)CCSCC 2230a_106256046315_100000757381 [0,1,0,0,0,0|3,0,0]=4 6933 B12R0.47 CCCCCCN(C)CCSCC 269982a_106256046315_100000757381 [0,1,0,0,0,0|3,0,0]=4 6934 B12R0.47 CCCCCN(C)CCCCC#N 2230a_100000223495_100000211819 [0,1,0,0,0,0|2,0,1]=4 6935 B12R0.47 CCCCCN(C)CCCCC#N 269982a_100000223495_100011219923 [0,1,0,0,0,0|2,0,1]=4 6936 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,1,0,0,0,0|1,0,2]=4 6937 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,1,0,0,0,0|1,0,2]=4 6938 B12R0.47 CCCCCN(C)CCCCCF 2230a_100000223495_100000729378 [0,1,0,0,0,0|2,0,0]=3 6939 B12R0.47 CCCCCN(C)CCCCCF 269982a_100000223495_100000729378 [0,1,0,0,0,0|2,0,0]=3 6940 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,1,0,0,0,0|1,0,0]=2 6941 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,1,0,0,0,0|1,0,0]=2 6942 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,1,0,0,0,0|1,0,0]=2 6943 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,1,0,0,0,0|1,0,0]=2 6944 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [0,1,0,0,0,0|3,0,0]=4 6945 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [0,1,0,0,0,0|3,0,0]=4 6946 B12R0.47 CCCCCN(C)CCCOCC 2230a_100000223495_100012232248 [0,1,0,0,0,0|3,0,0]=4 6947 B12R0.47 CCCCCN(C)CCCOCC 269982a_100000223495_100012232248 [0,1,0,0,0,0|3,0,0]=4 6948 B12R0.47 CCCCCN(C)CCOCCC 2230a_100000223495_100011215938 [0,1,0,0,0,0|3,0,0]=4 6949 B12R0.47 CCCCCN(C)CCOCCC 269982a_100000223495_100011215938 [0,1,0,0,0,0|3,0,0]=4 6950 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000223495_100011215305 [0,1,0,0,0,0|2,0,0]=3 6951 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000228057_100000210326 [0,1,0,0,0,0|2,0,0]=3 6952 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000223495_100011215305 [0,1,0,0,0,0|2,0,0]=3 6953 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000228057_100000210215 [0,1,0,0,0,0|2,0,0]=3 6954 B12R0.47 CCCCCN(C)COCCCC 2230a_100000223495_100011995733 [0,1,0,0,0,0|3,0,0]=4 6955 B12R0.47 CCCCCN(C)COCCCC 269982a_100000223495_100011995733 [0,1,0,0,0,0|3,0,0]=4 6956 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,1,0,0,0,0|2,0,1]=4 6957 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,1,0,0,0,0|2,0,1]=4 6958 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,1,0,0,0,0|2,0,1]=4 6959 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,1,0,0,0,0|2,0,1]=4 6960 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,1,0,0,0,0|1,0,1]=3 6961 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [0,1,0,0,0,0|2,0,1]=4 6962 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [0,1,0,0,0,0|2,0,1]=4 6963 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,1,0,0,0,0|2,0,1]=4 6964 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,1,0,0,0,0|2,0,1]=4 6965 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [0,1,0,0,0,0|2,0,1]=4 6966 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [0,1,0,0,0,0|2,0,1]=4 6967 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [0,1,0,0,0,0|2,0,1]=4 6968 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [0,1,0,0,0,0|2,0,1]=4 6969 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [0,1,0,0,0,0|2,0,1]=4 6970 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [0,1,0,0,0,0|2,0,1]=4 6971 B12R0.47 CCCCCNC(C)CCCC#N 270004a_100000209983_200000032708 [0,1,0,0,0,0|2,0,1]=4 6972 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [0,1,0,0,0,0|2,0,0]=3 6973 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [0,1,0,0,0,0|2,0,0]=3 6974 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [0,1,0,0,0,0|2,0,0]=3 6975 B12R0.47 CCCCCNC(C)CCCSC 270004a_100000209983_100011399439 [0,1,0,0,0,0|3,0,0]=4 6976 B12R0.47 CCCCCNC(C)CCOCC 270004a_100000209983_200011216536 [0,1,0,0,0,0|3,0,0]=4 6977 B12R0.47 CCCCCNC(C)CSCCC 270004a_100000209983_100011343953 [0,1,0,0,0,0|3,0,0]=4 6978 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,1,0,0,0,0|2,0,0]=3 6979 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,1,0,0,0,0|2,0,0]=3 6980 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,1,0,0,0,0|2,0,0]=3 6981 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,1,0,0,0,0|2,0,0]=3 6982 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,1,0,0,0,0|3,0,0]=4 6983 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,1,0,0,0,0|3,0,0]=4 6984 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [0,1,0,0,0,0|2,0,0]=3 6985 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [0,1,0,0,0,0|2,0,0]=3 6986 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,1,0,0,0,0|1,0,1]=3 6987 B12R0.47 CCCCNC(=O)CCOCCO 1626a_100000102301_100011229844 [0,1,0,0,0,0|2,0,1]=4 6988 B12R0.47 CCCCNC(=O)CCOCCO 240690a_100000102301_100011229844 [0,1,0,0,0,0|2,0,1]=4 6989 B12R0.47 CCCCNC(=O)CSCCCO 62a_100000182744_100011215043 [0,1,0,0,0,0|2,0,1]=4 6990 B12R0.47 CCCCNC(=O)CSCCCO 62a_100011215043_100000182744 [0,1,0,0,0,0|2,0,1]=4 6991 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000102301_100000750430 [0,1,0,0,0,0|2,0,1]=4 6992 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000750430_100000102301 [0,1,0,0,0,0|2,0,1]=4 6993 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000102301_100000750430 [0,1,0,0,0,0|2,0,1]=4 6994 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000750430_100000102301 [0,1,0,0,0,0|2,0,1]=4 6995 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000102301_100000750430 [0,1,0,0,0,0|2,0,1]=4 6996 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000750430_100000102301 [0,1,0,0,0,0|2,0,1]=4 6997 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [0,1,0,0,0,0|2,0,1]=4 6998 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [0,1,0,0,0,0|2,0,1]=4 6999 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,1,0,0,0,0|2,0,1]=4 7000 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,1,0,0,0,0|1,0,1]=3 7001 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,1,0,0,0,0|1,0,1]=3 7002 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,1,0,0,0,0|2,0,1]=4 7003 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [0,1,0,0,0,0|2,0,1]=4 7004 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [0,1,0,0,0,0|2,0,1]=4 7005 B12R0.47 CCCCOCC(C)OCCCC 34a_100011217071_100000210210 [0,1,0,0,0,0|3,0,0]=4 7006 B12R0.47 CCCCOCC(C)OCCCC 7a_100011217071_100000210211 [0,1,0,0,0,0|3,0,0]=4 7007 B12R0.47 CCCCOCC(C)OCCCF 34a_100011217071_100011934791 [0,1,0,0,0,0|3,0,0]=4 7008 B12R0.47 CCCCOCC(C)OCCCF 7a_100011217071_100011934791 [0,1,0,0,0,0|3,0,0]=4 7009 B12R0.47 CCCCOCC(C)OCCCO 34a_100011217071_100000230001 [0,1,0,0,0,0|2,0,0]=3 7010 B12R0.47 CCCCOCC(C)OCCCO 7a_100011217071_100011215043 [0,1,0,0,0,0|2,0,0]=3 7011 B12R0.47 CCCCOCN(C)CCCCO 2230a_100000717598_100011995733 [0,1,0,0,0,0|2,0,0]=3 7012 B12R0.47 CCCCOCN(C)CCCCO 269982a_100000717598_100011995733 [0,1,0,0,0,0|2,0,0]=3 7013 B12R0.47 CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210210 [0,1,0,0,0,0|2,0,0]=3 7014 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,1,0,0,0,0|2,0,1]=4 7015 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,1,0,0,0,0|1,0,1]=3 7016 B12R0.47 CCCCSCC(=O)NCCCO 240690a_100000182051_100000191162 [0,1,0,0,0,0|2,0,1]=4 7017 B12R0.47 CCCCSCC(=O)NCCCO 527a_100000182051_100000191162 [0,1,0,0,0,0|2,0,1]=4 7018 B12R0.47 CCCNNC(=O)CCCCCO 22a_100000740057_100102619762 [0,1,0,0,0,0|2,0,1]=4 7019 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,1,0,0,0,0|2,0,1]=4 7020 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,1,0,0,0,0|1,0,1]=3 7021 B12R0.47 CCCOCC(=O)CCOCCO 1458a_100000745993_100011215305 [0,1,0,0,0,0|2,0,1]=4 7022 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [0,1,0,0,0,0|2,0,1]=4 7023 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [0,1,0,0,0,0|2,0,1]=4 7024 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,1,0,0,0,0|1,0,1]=3 7025 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,1,0,0,0,0|2,0,1]=4 7026 B12R0.47 CCCOCCN(C)CCCCO 2230a_100000717598_100011215938 [0,1,0,0,0,0|2,0,0]=3 7027 B12R0.47 CCCOCCN(C)CCCCO 269982a_100000717598_100011215938 [0,1,0,0,0,0|2,0,0]=3 7028 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,1,0,0,0,0|2,0,1]=4 7029 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,1,0,0,0,0|1,0,1]=3 7030 B12R0.47 CCCSCC(=O)CCOCCO 1458a_100000217233_100011215305 [0,1,0,0,0,0|2,0,1]=4 7031 B12R0.47 CCCSCC(=O)NCCCCO 240690a_100000750430_100000217233 [0,1,0,0,0,0|2,0,1]=4 7032 B12R0.47 CCCSCC(=O)NCCCCO 527a_100000750430_100000217233 [0,1,0,0,0,0|2,0,1]=4 7033 B12R0.47 CCCSCC(C)NCCCCO 270004a_100000750430_100011343953 [0,1,0,0,0,0|2,0,0]=3 7034 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,1,0,0,0,0|2,0,1]=4 7035 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,1,0,0,0,0|1,0,1]=3 7036 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,1,0,0,0,0|1,0,1]=3 7037 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100000749530_100011215305 [0,1,0,0,0,0|2,0,1]=4 7038 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100011229844_100011215890 [0,1,0,0,0,0|2,0,1]=4 7039 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [0,1,0,0,0,0|2,0,1]=4 7040 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [0,1,0,0,0,0|2,0,1]=4 7041 B12R0.47 CCOCCC(C)NCCCCO 270004a_100000750430_200011216536 [0,1,0,0,0,0|2,0,0]=3 7042 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,1,0,0,0,0|1,0,1]=3 7043 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,1,0,0,0,0|2,0,1]=4 7044 B12R0.47 CCOCCCN(C)CCCCO 2230a_100000717598_100012232248 [0,1,0,0,0,0|2,0,0]=3 7045 B12R0.47 CCOCCCN(C)CCCCO 269982a_100000717598_100012232248 [0,1,0,0,0,0|2,0,0]=3 7046 B12R0.47 CCOCCN(C)CCCCCO 2230a_100000722520_100011215890 [0,1,0,0,0,0|2,0,0]=3 7047 B12R0.47 CCOCCN(C)CCCCCO 269982a_100000722520_100011215890 [0,1,0,0,0,0|2,0,0]=3 7048 B12R0.47 CCOCCN(C)CCOCCO 2230a_100000228057_100011215890 [0,1,0,0,0,0|3,0,0]=4 7049 B12R0.47 CCOCCN(C)CCOCCO 269982a_100000228057_100011215890 [0,1,0,0,0,0|3,0,0]=4 7050 B12R0.47 CCOCCNC(=O)CCCCO 1626a_102516460346_100000695505 [0,1,0,0,0,0|2,0,1]=4 7051 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,1,0,0,0,0|2,0,1]=4 7052 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,1,0,0,0,0|1,0,1]=3 7053 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,1,0,0,0,0|1,0,1]=3 7054 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100000230768_100011215305 [0,1,0,0,0,0|2,0,1]=4 7055 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100011229844_100000757381 [0,1,0,0,0,0|2,0,1]=4 7056 B12R0.47 CCSCCC(=O)NCCCCO 240690a_100000750430_100000230768 [0,1,0,0,0,0|2,0,1]=4 7057 B12R0.47 CCSCCC(=O)NCCCCO 527a_100000750430_100000230768 [0,1,0,0,0,0|2,0,1]=4 7058 B12R0.47 CCSCCN(C)CCCCCO 2230a_100000722520_100000757381 [0,1,0,0,0,0|2,0,0]=3 7059 B12R0.47 CCSCCN(C)CCCCCO 269982a_100000722520_100000757381 [0,1,0,0,0,0|2,0,0]=3 7060 B12R0.47 CCSCCN(C)CCOCCO 2230a_100000228057_100000757381 [0,1,0,0,0,0|3,0,0]=4 7061 B12R0.47 CCSCCN(C)CCOCCO 269982a_100000228057_100000757381 [0,1,0,0,0,0|3,0,0]=4 7062 B12R0.47 CCSCCNC(=O)CCCCO 1626a_100000106463_100000695505 [0,1,0,0,0,0|2,0,1]=4 7063 B12R0.47 CN(CCCC#N)CCCCCO 2230a_100000722520_100000687738 [0,1,0,0,0,0|2,0,1]=4 7064 B12R0.47 CN(CCCC#N)CCCCCO 269982a_100000722520_100000687738 [0,1,0,0,0,0|2,0,1]=4 7065 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [0,1,0,0,0,0|2,0,1]=4 7066 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [0,1,0,0,0,0|2,0,1]=4 7067 B12R0.47 CN(CCCCF)CCCCCO 2230a_100000722520_100000729493 [0,1,0,0,0,0|2,0,0]=3 7068 B12R0.47 CN(CCCCF)CCCCCO 269982a_100000722520_100000729493 [0,1,0,0,0,0|2,0,0]=3 7069 B12R0.47 CN(CCCCF)CCOCCO 2230a_100000228057_100000729493 [0,1,0,0,0,0|3,0,0]=4 7070 B12R0.47 CN(CCCCF)CCOCCO 269982a_100000228057_100000729493 [0,1,0,0,0,0|3,0,0]=4 7071 B12R0.47 CN(CCCCO)CCCCC#N 2230a_100000717598_100000211819 [0,1,0,0,0,0|2,0,1]=4 7072 B12R0.47 CN(CCCCO)CCCCC#N 269982a_100000717598_100011219923 [0,1,0,0,0,0|2,0,1]=4 7073 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [0,1,0,0,0,0|2,0,1]=4 7074 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [0,1,0,0,0,0|2,0,1]=4 7075 B12R0.47 CN(CCCCO)CCCCCF 2230a_100000717598_100000729378 [0,1,0,0,0,0|2,0,0]=3 7076 B12R0.47 CN(CCCCO)CCCCCF 269982a_100000717598_100000729378 [0,1,0,0,0,0|2,0,0]=3 7077 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000717598_100000746330 [0,1,0,0,0,0|2,0,0]=3 7078 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000722520_100000210776 [0,1,0,0,0,0|2,0,0]=3 7079 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000717598_100000746330 [0,1,0,0,0,0|2,0,0]=3 7080 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000722520_100000210776 [0,1,0,0,0,0|2,0,0]=3 7081 B12R0.47 CN(CCCCO)CCOCCO 2230a_100000228057_100000210776 [0,1,0,0,0,0|3,0,0]=4 7082 B12R0.47 CN(CCCCO)CCOCCO 2230a_100000717598_100011215305 [0,1,0,0,0,0|3,0,0]=4 7083 B12R0.47 CN(CCCCO)CCOCCO 269982a_100000228057_100000210776 [0,1,0,0,0,0|3,0,0]=4 7084 B12R0.47 CN(CCCCO)CCOCCO 269982a_100000717598_100011215305 [0,1,0,0,0,0|3,0,0]=4 7085 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,1,0,0,0,0|2,0,1]=4 7086 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,1,0,0,0,0|1,0,1]=3 7087 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,1,0,0,0,0|1,0,1]=3 7088 B12R0.47 COCCCC(=O)CCOCCO 1458a_100000741012_100011215305 [0,1,0,0,0,0|2,0,1]=4 7089 B12R0.47 COCCCC(=O)CCOCCO 1458a_100011229844_100000740836 [0,1,0,0,0,0|2,0,1]=4 7090 B12R0.47 COCCCC(=O)NCCCCO 240690a_100000750430_100000741012 [0,1,0,0,0,0|2,0,1]=4 7091 B12R0.47 COCCCC(=O)NCCCCO 527a_100000750430_100000741012 [0,1,0,0,0,0|2,0,1]=4 7092 B12R0.47 COCCCC(C)OCCCCF 34a_200011539412_100000729493 [0,1,0,0,0,0|3,0,0]=4 7093 B12R0.47 COCCCC(C)OCCCCF 7a_200011539412_100000729493 [0,1,0,0,0,0|3,0,0]=4 7094 B12R0.47 COCCCC(C)OCCCCO 34a_200011539412_100011216708 [0,1,0,0,0,0|2,0,0]=3 7095 B12R0.47 COCCCC(C)OCCCCO 7a_200011539412_100000210776 [0,1,0,0,0,0|2,0,0]=3 7096 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,1,0,0,0,0|1,0,1]=3 7097 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,1,0,0,0,0|2,0,1]=4 7098 B12R0.47 COCCCCN(C)CCCCO 2230a_100000717598_100000730899 [0,1,0,0,0,0|2,0,0]=3 7099 B12R0.47 COCCCCN(C)CCCCO 269982a_100000717598_100000730899 [0,1,0,0,0,0|2,0,0]=3 7100 B12R0.47 COCCCN(C)CCCCCF 2230a_100000224831_100000729378 [0,1,0,0,0,0|3,0,0]=4 7101 B12R0.47 COCCCN(C)CCCCCF 269982a_100000224831_100000729378 [0,1,0,0,0,0|3,0,0]=4 7102 B12R0.47 COCCCN(C)CCCCCO 2230a_100000224831_100000746330 [0,1,0,0,0,0|2,0,0]=3 7103 B12R0.47 COCCCN(C)CCCCCO 2230a_100000722520_100000740836 [0,1,0,0,0,0|2,0,0]=3 7104 B12R0.47 COCCCN(C)CCCCCO 269982a_100000224831_100000746330 [0,1,0,0,0,0|2,0,0]=3 7105 B12R0.47 COCCCN(C)CCCCCO 269982a_100000722520_100000740836 [0,1,0,0,0,0|2,0,0]=3 7106 B12R0.47 COCCCN(C)CCOCCO 2230a_100000224831_100011215305 [0,1,0,0,0,0|3,0,0]=4 7107 B12R0.47 COCCCN(C)CCOCCO 2230a_100000228057_100000740836 [0,1,0,0,0,0|3,0,0]=4 7108 B12R0.47 COCCCN(C)CCOCCO 269982a_100000224831_100011215305 [0,1,0,0,0,0|3,0,0]=4 7109 B12R0.47 COCCCN(C)CCOCCO 269982a_100000228057_100000740836 [0,1,0,0,0,0|3,0,0]=4 7110 B12R0.47 COCCCNC(=O)CCCCO 1626a_100150723488_100000695505 [0,1,0,0,0,0|2,0,1]=4 7111 B12R0.47 COCCNC(=O)CCCCCO 240690a_100000209980_100102619762 [0,1,0,0,0,0|2,0,1]=4 7112 B12R0.47 COCCOCC(=O)CCCCO 1458a_100000211095_100000210776 [0,1,0,0,0,0|2,0,1]=4 7113 B12R0.47 COCCOCN(C)CCCCO 2230a_100000717598_100000231047 [0,1,0,0,0,0|3,0,0]=4 7114 B12R0.47 COCCOCN(C)CCCCO 269982a_100000717598_100000231047 [0,1,0,0,0,0|3,0,0]=4 7115 B12R0.47 COCCOC[C@@H](N)CCCCN 34a_100016993712_100011201679 [0,1,0,0,0,0|3,0,0]=4 7116 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,1,0,0,0,0|2,0,1]=4 7117 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,1,0,0,0,0|1,0,1]=3 7118 B12R0.47 CSCCCC(=O)CCOCCO 1458a_100000173376_100011215305 [0,1,0,0,0,0|2,0,1]=4 7119 B12R0.47 CSCCCC(=O)NCCCCO 240690a_100000750430_100000173376 [0,1,0,0,0,0|2,0,1]=4 7120 B12R0.47 CSCCCC(=O)NCCCCO 527a_100000750430_100000173376 [0,1,0,0,0,0|2,0,1]=4 7121 B12R0.47 CSCCCC(C)NCCCCO 270004a_100000750430_100011399439 [0,1,0,0,0,0|2,0,0]=3 7122 B12R0.47 CSCCCNC(=O)CCCCO 1626a_100000749238_100000695505 [0,1,0,0,0,0|2,0,1]=4 7123 B12R0.47 CSCCNC(=O)CCCCCO 240690a_100020590264_100102619762 [0,1,0,0,0,0|2,0,1]=4 7124 B12R0.47 CSCCOC[C@@H](N)CCCCN 34a_100016993712_100000212216 [0,1,0,0,0,0|3,0,0]=4 7125 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [0,1,0,0,0,0|1,0,2]=4 7126 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [0,1,0,0,0,0|1,0,2]=4 7127 B12R0.47 N#CCCCCC(=O)CCCCO 1458a_100000695505_100000211819 [0,1,0,0,0,0|1,0,2]=4 7128 B12R0.47 NCCCC[C@H](N)COCCCF 34a_100016993712_100011934791 [0,1,0,0,0,0|3,0,0]=4 7129 B12R0.47 NCCCC[C@H](N)COCCCO 34a_100016993712_100000230001 [0,1,0,0,0,0|2,0,0]=3 7130 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,1,0,0,0,0|2,0,1]=4 7131 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,1,0,0,0,0|2,0,1]=4 7132 B12R0.47 O=C(CCCCCO)NCCCF 240690a_100015189416_100102619762 [0,1,0,0,0,0|2,0,1]=4 7133 B12R0.47 O=C(CCCCCO)NCCCO 240690a_100000182051_100102619762 [0,1,0,0,0,0|2,0,1]=4 7134 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,1,0,0,0,0|1,0,1]=3 7135 B12R0.47 O=C(CCCCF)CCOCCO 1458a_100011229844_100000729493 [0,1,0,0,0,0|2,0,1]=4 7136 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,1,0,0,0,0|1,0,1]=3 7137 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,1,0,0,0,0|1,0,1]=3 7138 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,1,0,0,0,0|1,0,1]=3 7139 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100000695505_100011215305 [0,1,0,0,0,0|2,0,1]=4 7140 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100011229844_100000210776 [0,1,0,0,0,0|2,0,1]=4 7141 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,1,0,0,0,0|1,0,2]=4 7142 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,1,0,0,0,0|1,0,2]=4 7143 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,1,0,0,0,0|0,0,3]=4 7144 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,1,0,0,0,0|0,0,3]=4 7145 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,1,0,0,0,0|1,0,2]=4 7146 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,1,0,0,0,0|1,0,2]=4 7147 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,1,0,0,0,0|0,0,3]=4 7148 B12R0.206 C#CCCCCCN(C)CCCC 2230a_100000207549_100012094781 [0,1,0,0,0,0|2,0,1]=4 7149 B12R0.206 C#CCCCCCN(C)CCCC 269982a_100000207549_100012094781 [0,1,0,0,0,0|2,0,1]=4 7150 B12R0.206 C#CCCCCCN(C)CCCO 2230a_100000213112_100012094781 [0,1,0,0,0,0|1,0,2]=4 7151 B12R0.206 C#CCCCCCN(C)CCCO 269982a_100000213112_100012094781 [0,1,0,0,0,0|1,0,2]=4 7152 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000126638_100010269958 [0,1,0,0,0,0|2,0,1]=4 7153 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000706060_200011215066 [0,1,0,0,0,0|2,0,1]=4 7154 B12R0.206 C#CCCCCNC(C)CCCC 34a_100000706060_200011215066 [0,1,0,0,0,0|2,0,1]=4 7155 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000687866_100010269958 [0,1,0,0,0,0|2,0,1]=4 7156 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000766709_200011215066 [0,1,0,0,0,0|2,0,1]=4 7157 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000687866_100010269958 [0,1,0,0,0,0|2,0,1]=4 7158 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000766709_200011215066 [0,1,0,0,0,0|2,0,1]=4 7159 B12R0.206 C#CCCCCSC(C)CCCC 62a_100010269958_200011215066 [0,1,0,0,0,0|2,0,1]=4 7160 B12R0.206 C#CCCCCSC(C)CCCC 62a_200011215066_100010269958 [0,1,0,0,0,0|2,0,1]=4 7161 B12R0.206 C#CCCCNC[C@H](C)CCCO 2230a_100160569302_100000731252 [0,1,0,0,0,0|1,0,2]=4 7162 B12R0.206 C#CCCCNC[C@H](C)CCCO 34a_100160569302_100000695029 [0,1,0,0,0,0|1,0,2]=4 7163 B12R0.206 C#CCCCOCC(C)CCCC 34a_100011995851_100000695029 [0,1,0,0,0,0|2,0,1]=4 7164 B12R0.206 C#CCCCOCC(C)CCCC 7a_100011995851_100011215417 [0,1,0,0,0,0|2,0,1]=4 7165 B12R0.206 C#CCCCOC[C@@H](N)CCCC 34a_100011934283_100000695029 [0,1,0,0,0,0|2,0,1]=4 7166 B12R0.206 C#CCCN(C)CCCCCCC 2230a_100000228206_100000688953 [0,1,0,0,0,0|2,0,1]=4 7167 B12R0.206 C#CCCN(C)CCCCCCC 269982a_100000228206_100000730999 [0,1,0,0,0,0|2,0,1]=4 7168 B12R0.206 C#CCNC(C)CCCCCCC 34a_100000212058_200011218727 [0,1,0,0,0,0|2,0,1]=4 7169 B12R0.206 C#CCOC(C)CCCCCCC 34a_100000210247_200011218727 [0,1,0,0,0,0|2,0,1]=4 7170 B12R0.206 C#CCOC(C)CCCCCCC 34a_200011215852_100000184674 [0,1,0,0,0,0|2,0,1]=4 7171 B12R0.206 C#CCOC(C)CCCCCCC 7a_200011215852_100000038162 [0,1,0,0,0,0|2,0,1]=4 7172 B12R0.206 C#CCSC(C)CCCCCCC 62a_100000038162_200011218727 [0,1,0,0,0,0|2,0,1]=4 7173 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,1,0,0,0,0|0,0,3]=4 7174 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,0,0,0,0|1,0,2]=4 7175 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,0,0,0,0|1,0,2]=4 7176 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,1,0,0,0,0|0,0,3]=4 7177 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,1,0,0,0,0|0,0,3]=4 7178 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,1,0,0,0,0|2,0,1]=4 7179 B12R0.206 C=CCCC(C)NCCCCCO 270004a_100000762737_100000762624 [0,1,0,0,0,0|1,0,2]=4 7180 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,1,0,0,0,0|2,0,1]=4 7181 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,1,0,0,0,0|2,0,1]=4 7182 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [0,1,0,0,0,0|1,0,2]=4 7183 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [0,1,0,0,0,0|1,0,2]=4 7184 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,1,0,0,0,0|1,0,2]=4 7185 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,1,0,0,0,0|1,0,2]=4 7186 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,1,0,0,0,0|0,0,3]=4 7187 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [0,1,0,0,0,0|2,0,1]=4 7188 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [0,1,0,0,0,0|2,0,1]=4 7189 B12R0.206 C=CCCCCCN(C)CCCO 2230a_100000213112_100000700193 [0,1,0,0,0,0|1,0,2]=4 7190 B12R0.206 C=CCCCCCN(C)CCCO 269982a_100000213112_100000700193 [0,1,0,0,0,0|1,0,2]=4 7191 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [0,1,0,0,0,0|2,0,1]=4 7192 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [0,1,0,0,0,0|2,0,1]=4 7193 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [0,1,0,0,0,0|2,0,1]=4 7194 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [0,1,0,0,0,0|2,0,1]=4 7195 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [0,1,0,0,0,0|2,0,1]=4 7196 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [0,1,0,0,0,0|2,0,1]=4 7197 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [0,1,0,0,0,0|2,0,1]=4 7198 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [0,1,0,0,0,0|2,0,1]=4 7199 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [0,1,0,0,0,0|2,0,1]=4 7200 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [0,1,0,0,0,0|2,0,1]=4 7201 B12R0.206 C=CCCCNC[C@H](C)CCCO 2230a_100160569302_100011713584 [0,1,0,0,0,0|1,0,2]=4 7202 B12R0.206 C=CCCCNC[C@H](C)CCCO 34a_100160569302_100000757094 [0,1,0,0,0,0|1,0,2]=4 7203 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [0,1,0,0,0,0|2,0,1]=4 7204 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [0,1,0,0,0,0|2,0,1]=4 7205 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [0,1,0,0,0,0|2,0,1]=4 7206 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,1,0,0,0,0|2,0,1]=4 7207 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,1,0,0,0,0|2,0,1]=4 7208 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,1,0,0,0,0|2,0,1]=4 7209 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,1,0,0,0,0|2,0,1]=4 7210 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [0,1,0,0,0,0|1,0,2]=4 7211 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [0,1,0,0,0,0|1,0,2]=4 7212 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,1,0,0,0,0|2,0,1]=4 7213 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,1,0,0,0,0|2,0,1]=4 7214 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,1,0,0,0,0|2,0,1]=4 7215 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,1,0,0,0,0|2,0,1]=4 7216 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,1,0,0,0,0|2,0,1]=4 7217 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,1,0,0,0,0|2,0,1]=4 7218 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,1,0,0,0,0|2,0,1]=4 7219 B12R0.206 CC#CCC(=O)CCCCCCO 1458a_100011996774_100000748600 [0,1,0,0,0,0|0,0,3]=4 7220 B12R0.206 CC(CCCCl)OCCCCCF 34a_200000718107_100000729378 [0,1,0,0,0,0|3,0,0]=4 7221 B12R0.206 CC(CCCCl)OCCCCCF 7a_200000718107_100000729378 [0,1,0,0,0,0|3,0,0]=4 7222 B12R0.206 CC(CCCCl)OCCCCCO 34a_200000718107_100000746330 [0,1,0,0,0,0|2,0,0]=3 7223 B12R0.206 CC(CCCCl)OCCCCCO 7a_200000718107_100000746330 [0,1,0,0,0,0|2,0,0]=3 7224 B12R0.206 CC(CCCCl)OCCOCCO 34a_200000718107_100000692535 [0,1,0,0,0,0|3,0,0]=4 7225 B12R0.206 CC(CCCCl)OCCOCCO 7a_200000718107_100011215305 [0,1,0,0,0,0|3,0,0]=4 7226 B12R0.206 CC/C=C\CNC[C@H](C)CCCO 2230a_100160569302_100103147603 [0,1,0,0,0,0|1,0,2]=4 7227 B12R0.206 CC/C=C\CNC[C@H](C)CCCO 34a_100160569302_100103147603 [0,1,0,0,0,0|1,0,2]=4 7228 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,1,0,0,0,0|0,0,3]=4 7229 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,1,0,0,0,0|0,0,3]=4 7230 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,1,0,0,0,0|0,0,3]=4 7231 B12R0.206 CCC#CC(C)OCCCCCO 34a_100000033903_100000746330 [0,1,0,0,0,0|1,0,2]=4 7232 B12R0.206 CCC#CC(C)OCCCCCO 7a_100000033903_100000746330 [0,1,0,0,0,0|1,0,2]=4 7233 B12R0.206 CCC#CCNC[C@H](C)CCCO 2230a_100160569302_100009813939 [0,1,0,0,0,0|1,0,2]=4 7234 B12R0.206 CCC#CCNC[C@H](C)CCCO 34a_100160569302_100009813939 [0,1,0,0,0,0|1,0,2]=4 7235 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,1,0,0,0,0|0,0,3]=4 7236 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,1,0,0,0,0|0,0,3]=4 7237 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,1,0,0,0,0|1,0,2]=4 7238 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,1,0,0,0,0|1,0,1]=3 7239 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,0,0,0,0|0,0,1]=2 7240 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,0,0,0,0|0,0,1]=2 7241 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,1,0,0,0,0|2,0,1]=4 7242 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,1,0,0,0,0|1,0,1]=3 7243 B12R0.206 CCCCC(=O)NCCOCCO 240690a_100000211614_100000210183 [0,1,0,0,0,0|2,0,1]=4 7244 B12R0.206 CCCCC(=O)NCCSCCO 240690a_100011219999_100000210183 [0,1,0,0,0,0|2,0,1]=4 7245 B12R0.206 CCCCC(=O)NCCSCCO 527a_100011219999_100000210183 [0,1,0,0,0,0|2,0,1]=4 7246 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [0,1,0,0,0,0|2,0,0]=3 7247 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [0,1,0,0,0,0|2,0,0]=3 7248 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [0,1,0,0,0,0|2,0,0]=3 7249 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [0,1,0,0,0,0|2,0,0]=3 7250 B12R0.206 CCCCC(C)COCC#CCO 34a_100011995851_200000047223 [0,1,0,0,0,0|1,0,2]=4 7251 B12R0.206 CCCCC(C)COCC#CCO 7a_100011995851_200000047223 [0,1,0,0,0,0|1,0,2]=4 7252 B12R0.206 CCCCC(C)COCCCC#N 7a_100011995851_100000687738 [0,1,0,0,0,0|2,0,1]=4 7253 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [0,1,0,0,0,0|1,0,2]=4 7254 B12R0.206 CCCCC(C)COCCCCF 34a_100011995851_100000729493 [0,1,0,0,0,0|2,0,0]=3 7255 B12R0.206 CCCCC(C)COCCCCF 7a_100011995851_100000729493 [0,1,0,0,0,0|2,0,0]=3 7256 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [0,1,0,0,0,0|1,0,0]=2 7257 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [0,1,0,0,0,0|1,0,0]=2 7258 B12R0.206 CCCCC(C)COCCCOC 34a_100011995851_100000740836 [0,1,0,0,0,0|3,0,0]=4 7259 B12R0.206 CCCCC(C)COCCCOC 7a_100011995851_100000740836 [0,1,0,0,0,0|3,0,0]=4 7260 B12R0.206 CCCCC(C)COCCOCC 34a_100011995851_100000210147 [0,1,0,0,0,0|3,0,0]=4 7261 B12R0.206 CCCCC(C)COCCOCC 7a_100011995851_100011215890 [0,1,0,0,0,0|3,0,0]=4 7262 B12R0.206 CCCCC(C)COCCSCC 34a_100011995851_100000757381 [0,1,0,0,0,0|3,0,0]=4 7263 B12R0.206 CCCCC(C)COCCSCC 7a_100011995851_100000757381 [0,1,0,0,0,0|3,0,0]=4 7264 B12R0.206 CCCCC(C)NCCCCC#N 2230a_100000126638_100000211819 [0,1,0,0,0,0|2,0,1]=4 7265 B12R0.206 CCCCC(C)NCCCCC#N 270004a_100000751965_100000210087 [0,1,0,0,0,0|2,0,1]=4 7266 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [0,1,0,0,0,0|1,0,2]=4 7267 B12R0.206 CCCCC(C)NCCCCCF 2230a_100000126638_100000729378 [0,1,0,0,0,0|2,0,0]=3 7268 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [0,1,0,0,0,0|1,0,0]=2 7269 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [0,1,0,0,0,0|1,0,0]=2 7270 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [0,1,0,0,0,0|1,0,0]=2 7271 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [0,1,0,0,0,0|1,0,0]=2 7272 B12R0.206 CCCCC(C)NCCCCOC 2230a_100000126638_100000730899 [0,1,0,0,0,0|3,0,0]=4 7273 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000126638_100012232248 [0,1,0,0,0,0|3,0,0]=4 7274 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000210961_200011215066 [0,1,0,0,0,0|3,0,0]=4 7275 B12R0.206 CCCCC(C)NCCCOCC 270004a_100000210961_100000210087 [0,1,0,0,0,0|3,0,0]=4 7276 B12R0.206 CCCCC(C)NCCCOCC 34a_100000210961_200011215066 [0,1,0,0,0,0|3,0,0]=4 7277 B12R0.206 CCCCC(C)NCCOCCC 2230a_100000126638_100011215938 [0,1,0,0,0,0|3,0,0]=4 7278 B12R0.206 CCCCC(C)NCCOCCC 2230a_100161115042_200011215066 [0,1,0,0,0,0|3,0,0]=4 7279 B12R0.206 CCCCC(C)NCCOCCC 270004a_100161115042_100000210087 [0,1,0,0,0,0|3,0,0]=4 7280 B12R0.206 CCCCC(C)NCCOCCC 34a_100161115042_200011215066 [0,1,0,0,0,0|3,0,0]=4 7281 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000126638_100011215305 [0,1,0,0,0,0|2,0,0]=3 7282 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000211614_200011215066 [0,1,0,0,0,0|2,0,0]=3 7283 B12R0.206 CCCCC(C)NCCOCCO 270004a_100000211614_100000210087 [0,1,0,0,0,0|2,0,0]=3 7284 B12R0.206 CCCCC(C)NCCOCCO 34a_100000211614_200011215066 [0,1,0,0,0,0|2,0,0]=3 7285 B12R0.206 CCCCC(C)NCCSCCC 2230a_100020603323_200011215066 [0,1,0,0,0,0|3,0,0]=4 7286 B12R0.206 CCCCC(C)NCCSCCC 270004a_100020603323_100000210087 [0,1,0,0,0,0|3,0,0]=4 7287 B12R0.206 CCCCC(C)NCCSCCO 2230a_100011219999_200011215066 [0,1,0,0,0,0|2,0,0]=3 7288 B12R0.206 CCCCC(C)NCCSCCO 270004a_100011219999_100000210087 [0,1,0,0,0,0|2,0,0]=3 7289 B12R0.206 CCCCC(C)OCCCCC#N 7a_100000687866_100000211819 [0,1,0,0,0,0|2,0,1]=4 7290 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [0,1,0,0,0,0|1,0,2]=4 7291 B12R0.206 CCCCC(C)OCCCCCBr 34a_100000746331_200011215066 [0,1,0,0,0,0|2,0,0]=3 7292 B12R0.206 CCCCC(C)OCCCCCBr 7a_100000746331_200011215066 [0,1,0,0,0,0|2,0,0]=3 7293 B12R0.206 CCCCC(C)OCCCCCCl 34a_100000746330_200011215066 [0,1,0,0,0,0|2,0,0]=3 7294 B12R0.206 CCCCC(C)OCCCCCCl 7a_100000746330_200011215066 [0,1,0,0,0,0|2,0,0]=3 7295 B12R0.206 CCCCC(C)OCCCCCF 34a_100000687866_100000729378 [0,1,0,0,0,0|2,0,0]=3 7296 B12R0.206 CCCCC(C)OCCCCCF 7a_100000687866_100000729378 [0,1,0,0,0,0|2,0,0]=3 7297 B12R0.206 CCCCC(C)OCCCCCI 34a_200012148887_200011215066 [0,1,0,0,0,0|2,0,0]=3 7298 B12R0.206 CCCCC(C)OCCCCCI 7a_200012148887_200011215066 [0,1,0,0,0,0|2,0,0]=3 7299 B12R0.206 CCCCC(C)OCCCCCN 34a_100000762737_200011215066 [0,1,0,0,0,0|2,0,0]=3 7300 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,1,0,0,0,0|1,0,0]=2 7301 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,1,0,0,0,0|1,0,0]=2 7302 B12R0.206 CCCCC(C)OCCCCOC 34a_100000687866_100000755781 [0,1,0,0,0,0|3,0,0]=4 7303 B12R0.206 CCCCC(C)OCCCCOC 34a_100000740925_200011215066 [0,1,0,0,0,0|3,0,0]=4 7304 B12R0.206 CCCCC(C)OCCCCOC 7a_100000687866_100000730899 [0,1,0,0,0,0|3,0,0]=4 7305 B12R0.206 CCCCC(C)OCCCCSC 34a_100011217163_200011215066 [0,1,0,0,0,0|3,0,0]=4 7306 B12R0.206 CCCCC(C)OCCCCSC 7a_100011217163_200011215066 [0,1,0,0,0,0|3,0,0]=4 7307 B12R0.206 CCCCC(C)OCCCOCC 34a_100000687866_100012232248 [0,1,0,0,0,0|3,0,0]=4 7308 B12R0.206 CCCCC(C)OCCCOCC 34a_100000757476_200011215066 [0,1,0,0,0,0|3,0,0]=4 7309 B12R0.206 CCCCC(C)OCCCOCC 7a_100000687866_100012232248 [0,1,0,0,0,0|3,0,0]=4 7310 B12R0.206 CCCCC(C)OCCCOCC 7a_100000757476_200011215066 [0,1,0,0,0,0|3,0,0]=4 7311 B12R0.206 CCCCC(C)OCCCSCC 34a_100011216438_200011215066 [0,1,0,0,0,0|3,0,0]=4 7312 B12R0.206 CCCCC(C)OCCCSCC 7a_100011216438_200011215066 [0,1,0,0,0,0|3,0,0]=4 7313 B12R0.206 CCCCC(C)OCCOCCBr 34a_100000692535_200011215066 [0,1,0,0,0,0|3,0,0]=4 7314 B12R0.206 CCCCC(C)OCCOCCBr 7a_100000692535_200011215066 [0,1,0,0,0,0|3,0,0]=4 7315 B12R0.206 CCCCC(C)OCCOCCC 34a_100000687866_100011215938 [0,1,0,0,0,0|3,0,0]=4 7316 B12R0.206 CCCCC(C)OCCOCCC 34a_100000752267_200011215066 [0,1,0,0,0,0|3,0,0]=4 7317 B12R0.206 CCCCC(C)OCCOCCC 7a_100000687866_100011215938 [0,1,0,0,0,0|3,0,0]=4 7318 B12R0.206 CCCCC(C)OCCOCCC 7a_100000752267_200011215066 [0,1,0,0,0,0|3,0,0]=4 7319 B12R0.206 CCCCC(C)OCCOCCCl 34a_100011215305_200011215066 [0,1,0,0,0,0|3,0,0]=4 7320 B12R0.206 CCCCC(C)OCCOCCCl 7a_100011215305_200011215066 [0,1,0,0,0,0|3,0,0]=4 7321 B12R0.206 CCCCC(C)OCCOCCF 34a_200015357709_200011215066 [0,1,0,0,0,0|3,0,0]=4 7322 B12R0.206 CCCCC(C)OCCOCCF 7a_200015357709_200011215066 [0,1,0,0,0,0|3,0,0]=4 7323 B12R0.206 CCCCC(C)OCCOCCI 34a_100012149058_200011215066 [0,1,0,0,0,0|3,0,0]=4 7324 B12R0.206 CCCCC(C)OCCOCCI 7a_100012149058_200011215066 [0,1,0,0,0,0|3,0,0]=4 7325 B12R0.206 CCCCC(C)OCCOCCN 34a_100000211614_200011215066 [0,1,0,0,0,0|3,0,0]=4 7326 B12R0.206 CCCCC(C)OCCOCCO 34a_100000687866_100000692535 [0,1,0,0,0,0|2,0,0]=3 7327 B12R0.206 CCCCC(C)OCCOCCO 7a_100000687866_100011215305 [0,1,0,0,0,0|2,0,0]=3 7328 B12R0.206 CCCCC(C)OCCSCCC 34a_200000230433_200011215066 [0,1,0,0,0,0|3,0,0]=4 7329 B12R0.206 CCCCC(C)OCCSCCC 7a_200000230433_200011215066 [0,1,0,0,0,0|3,0,0]=4 7330 B12R0.206 CCCCC(C)SCCCCC#N 62a_100011219923_200011215066 [0,1,0,0,0,0|2,0,1]=4 7331 B12R0.206 CCCCC(C)SCCCCC#N 62a_200011215066_100000211819 [0,1,0,0,0,0|2,0,1]=4 7332 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [0,1,0,0,0,0|1,0,2]=4 7333 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [0,1,0,0,0,0|1,0,2]=4 7334 B12R0.206 CCCCC(C)SCCCCCF 62a_100000729378_200011215066 [0,1,0,0,0,0|2,0,0]=3 7335 B12R0.206 CCCCC(C)SCCCCCF 62a_200011215066_100000729378 [0,1,0,0,0,0|2,0,0]=3 7336 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [0,1,0,0,0,0|1,0,0]=2 7337 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [0,1,0,0,0,0|1,0,0]=2 7338 B12R0.206 CCCCC(C)SCCCCOC 62a_100000730899_200011215066 [0,1,0,0,0,0|3,0,0]=4 7339 B12R0.206 CCCCC(C)SCCCCOC 62a_200011215066_100000730899 [0,1,0,0,0,0|3,0,0]=4 7340 B12R0.206 CCCCC(C)SCCCOCC 62a_100012232248_200011215066 [0,1,0,0,0,0|3,0,0]=4 7341 B12R0.206 CCCCC(C)SCCCOCC 62a_200011215066_100012232248 [0,1,0,0,0,0|3,0,0]=4 7342 B12R0.206 CCCCC(C)SCCOCCC 62a_100011215938_200011215066 [0,1,0,0,0,0|3,0,0]=4 7343 B12R0.206 CCCCC(C)SCCOCCC 62a_200011215066_100011215938 [0,1,0,0,0,0|3,0,0]=4 7344 B12R0.206 CCCCC(C)SCCOCCO 62a_100011215305_200011215066 [0,1,0,0,0,0|2,0,0]=3 7345 B12R0.206 CCCCC(C)SCCOCCO 62a_200011215066_100011215305 [0,1,0,0,0,0|2,0,0]=3 7346 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,1,0,0,0,0|0,0,3]=4 7347 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,1,0,0,0,0|0,0,3]=4 7348 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,1,0,0,0,0|0,0,3]=4 7349 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,1,0,0,0,0|1,0,2]=4 7350 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,1,0,0,0,0|1,0,2]=4 7351 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,0,0,0,0|1,0,1]=3 7352 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,0,0,0,0|1,0,1]=3 7353 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,1,0,0,0,0|1,0,1]=3 7354 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|0,0,1]=2 7355 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,0,0,0,0|2,0,1]=4 7356 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,0,0,0,0|2,0,1]=4 7357 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,0,0,0,0|2,0,1]=4 7358 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,0,0,0,0|2,0,1]=4 7359 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,1,0,0,0,0|2,0,1]=4 7360 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,1,0,0,0,0|2,0,1]=4 7361 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,1,0,0,0,0|2,0,1]=4 7362 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,1,0,0,0,0|2,0,1]=4 7363 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,1,0,0,0,0|2,0,1]=4 7364 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,1,0,0,0,0|2,0,1]=4 7365 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 7366 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 7367 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 7368 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 7369 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,1,0,0,0,0|1,0,1]=3 7370 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,1,0,0,0,0|1,0,1]=3 7371 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,1,0,0,0,0|2,0,0]=3 7372 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,1,0,0,0,0|2,0,0]=3 7373 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,1,0,0,0,0|1,0,0]=2 7374 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,1,0,0,0,0|1,0,0]=2 7375 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,1,0,0,0,0|1,0,0]=2 7376 B12R0.206 CCCCCCCC(C)OCC#N 7a_200011215852_100011215382 [0,1,0,0,0,0|2,0,1]=4 7377 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,1,0,0,0,0|1,0,2]=4 7378 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,1,0,0,0,0|1,0,2]=4 7379 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,1,0,0,0,0|2,0,0]=3 7380 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,1,0,0,0,0|2,0,0]=3 7381 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,1,0,0,0,0|2,0,0]=3 7382 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,1,0,0,0,0|2,0,0]=3 7383 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,1,0,0,0,0|2,0,0]=3 7384 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,1,0,0,0,0|2,0,0]=3 7385 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,1,0,0,0,0|2,0,0]=3 7386 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,1,0,0,0,0|1,0,0]=2 7387 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,1,0,0,0,0|1,0,0]=2 7388 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,1,0,0,0,0|3,0,0]=4 7389 B12R0.206 CCCCCCCC(C)SCC#N 62a_100011215382_200011218727 [0,1,0,0,0,0|2,0,1]=4 7390 B12R0.206 CCCCCCCC(C)SCC#N 62a_200011218727_100011215382 [0,1,0,0,0,0|2,0,1]=4 7391 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,1,0,0,0,0|1,0,2]=4 7392 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,1,0,0,0,0|1,0,2]=4 7393 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,1,0,0,0,0|2,0,0]=3 7394 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,1,0,0,0,0|2,0,0]=3 7395 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,1,0,0,0,0|2,0,0]=3 7396 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,1,0,0,0,0|2,0,0]=3 7397 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,1,0,0,0,0|1,0,0]=2 7398 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,1,0,0,0,0|1,0,0]=2 7399 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,1,0,0,0,0|3,0,0]=4 7400 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,1,0,0,0,0|3,0,0]=4 7401 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,1,0,0,0,0|3,0,0]=4 7402 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,1,0,0,0,0|3,0,0]=4 7403 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000184479_100000210681 [0,1,0,0,0,0|2,0,1]=4 7404 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000228206_100011215226 [0,1,0,0,0,0|2,0,1]=4 7405 B12R0.206 CCCCCCCN(C)CCC#N 269982a_100000228206_100011215226 [0,1,0,0,0,0|2,0,1]=4 7406 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,1,0,0,0,0|2,0,0]=3 7407 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,1,0,0,0,0|2,0,0]=3 7408 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,1,0,0,0,0|2,0,0]=3 7409 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,1,0,0,0,0|2,0,0]=3 7410 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,1,0,0,0,0|2,0,0]=3 7411 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,1,0,0,0,0|2,0,0]=3 7412 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,1,0,0,0,0|1,0,0]=2 7413 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,1,0,0,0,0|1,0,0]=2 7414 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,1,0,0,0,0|1,0,0]=2 7415 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,1,0,0,0,0|1,0,0]=2 7416 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,1,0,0,0,0|3,0,0]=4 7417 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 7418 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,1,0,0,0,0|3,0,0]=4 7419 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 7420 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,1,0,0,0,0|3,0,0]=4 7421 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,1,0,0,0,0|3,0,0]=4 7422 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,1,0,0,0,0|3,0,0]=4 7423 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,1,0,0,0,0|3,0,0]=4 7424 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,1,0,0,0,0|3,0,0]=4 7425 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 7426 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 7427 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 7428 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 7429 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 7430 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,1,0,0,0,0|2,0,1]=4 7431 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 7432 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 7433 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000126638_100000210314 [0,1,0,0,0,0|2,0,0]=3 7434 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000210581_200011215066 [0,1,0,0,0,0|2,0,0]=3 7435 B12R0.206 CCCCCCNC(C)CCCC 270004a_100000210581_100000210087 [0,1,0,0,0,0|2,0,0]=3 7436 B12R0.206 CCCCCCNC(C)CCOC 270004a_100000210581_100000742357 [0,1,0,0,0,0|3,0,0]=4 7437 B12R0.206 CCCCCCNC(C)CCSC 270004a_100000210581_100011217047 [0,1,0,0,0,0|3,0,0]=4 7438 B12R0.206 CCCCCCNC(C)CSCC 270004a_100000210581_200011216171 [0,1,0,0,0,0|3,0,0]=4 7439 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,1,0,0,0,0|2,0,0]=3 7440 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,1,0,0,0,0|2,0,0]=3 7441 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,1,0,0,0,0|2,0,0]=3 7442 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,1,0,0,0,0|2,0,0]=3 7443 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,1,0,0,0,0|2,0,0]=3 7444 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,1,0,0,0,0|2,0,0]=3 7445 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,1,0,0,0,0|3,0,0]=4 7446 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,1,0,0,0,0|3,0,0]=4 7447 B12R0.206 CCCCCCSC(C)CCCC 62a_100000210314_200011215066 [0,1,0,0,0,0|2,0,0]=3 7448 B12R0.206 CCCCCCSC(C)CCCC 62a_200011215066_100000210757 [0,1,0,0,0,0|2,0,0]=3 7449 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [0,1,0,0,0,0|3,0,0]=4 7450 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [0,1,0,0,0,0|3,0,0]=4 7451 B12R0.206 CCCCCNCC(O)COCC 2230a_102515437182_100000210326 [0,1,0,0,0,0|3,0,0]=4 7452 B12R0.206 CCCCCNCC(O)COCC 34a_102515437182_100000718602 [0,1,0,0,0,0|3,0,0]=4 7453 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,1,0,0,0,0|1,0,0]=2 7454 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,1,0,0,0,0|1,0,0]=2 7455 B12R0.206 CCCCCNN=C(C)CCCO 4a_100000694160_100000759063 [0,1,0,0,0,0|2,0,1]=4 7456 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [0,1,0,0,0,0|2,0,0]=3 7457 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [0,1,0,0,0,0|2,0,0]=3 7458 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [0,1,0,0,0,0|2,0,0]=3 7459 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [0,1,0,0,0,0|3,0,0]=4 7460 B12R0.206 CCCCN(C)CCCCCC#N 2230a_100000207549_100009813376 [0,1,0,0,0,0|2,0,1]=4 7461 B12R0.206 CCCCN(C)CCCCCC#N 269982a_100000207549_100009813376 [0,1,0,0,0,0|2,0,1]=4 7462 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [0,1,0,0,0,0|1,0,2]=4 7463 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [0,1,0,0,0,0|1,0,2]=4 7464 B12R0.206 CCCCN(C)CCCCCCF 2230a_100000207549_100015922095 [0,1,0,0,0,0|2,0,0]=3 7465 B12R0.206 CCCCN(C)CCCCCCF 269982a_100000207549_100015922095 [0,1,0,0,0,0|2,0,0]=3 7466 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [0,1,0,0,0,0|1,0,0]=2 7467 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [0,1,0,0,0,0|1,0,0]=2 7468 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,1,0,0,0,0|2,0,1]=4 7469 B12R0.206 CCCCOCCN(C)CCCC 2230a_100000207549_100000743108 [0,1,0,0,0,0|3,0,0]=4 7470 B12R0.206 CCCCOCCN(C)CCCC 269982a_100000207549_100000743108 [0,1,0,0,0,0|3,0,0]=4 7471 B12R0.206 CCCCOCCN(C)CCCO 2230a_100000213112_100000743108 [0,1,0,0,0,0|2,0,0]=3 7472 B12R0.206 CCCCOCCN(C)CCCO 269982a_100000213112_100000743108 [0,1,0,0,0,0|2,0,0]=3 7473 B12R0.206 CCCCOCNC(C)CCCC 2230a_100000126638_100011995733 [0,1,0,0,0,0|3,0,0]=4 7474 B12R0.206 CCCCOCOC(C)CCCC 34a_100000687866_100011995733 [0,1,0,0,0,0|3,0,0]=4 7475 B12R0.206 CCCCOCOC(C)CCCCl 34a_200000718107_100011995733 [0,1,0,0,0,0|3,0,0]=4 7476 B12R0.206 CCCCOCSC(C)CCCC 62a_100011995733_200011215066 [0,1,0,0,0,0|3,0,0]=4 7477 B12R0.206 CCCCOCSC(C)CCCC 62a_200011215066_100011995733 [0,1,0,0,0,0|3,0,0]=4 7478 B12R0.206 CCCC[C@H](N)COCC#CCO 34a_100011934283_200000047223 [0,1,0,0,0,0|1,0,2]=4 7479 B12R0.206 CCCC[C@H](N)COCCCCF 34a_100011934283_100000729493 [0,1,0,0,0,0|2,0,0]=3 7480 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [0,1,0,0,0,0|1,0,0]=2 7481 B12R0.206 CCCC[C@H](N)COCCCOC 34a_100011934283_100000740836 [0,1,0,0,0,0|3,0,0]=4 7482 B12R0.206 CCCC[C@H](N)COCCOCC 34a_100011934283_100000210147 [0,1,0,0,0,0|3,0,0]=4 7483 B12R0.206 CCCC[C@H](N)COCCSCC 34a_100011934283_100000757381 [0,1,0,0,0,0|3,0,0]=4 7484 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,1,0,0,0,0|1,0,1]=3 7485 B12R0.206 CCCNC(=O)CCCNCCO 2230a_100016997473_100011194427 [0,1,0,0,0,0|2,0,1]=4 7486 B12R0.206 CCCNC(=O)CCCSCCO 62a_100000211926_100011194427 [0,1,0,0,0,0|2,0,1]=4 7487 B12R0.206 CCCNC(=O)CCCSCCO 62a_100011194427_100000211926 [0,1,0,0,0,0|2,0,1]=4 7488 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000174927_100000210776 [0,1,0,0,0,0|2,0,1]=4 7489 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000750430_100000183358 [0,1,0,0,0,0|2,0,1]=4 7490 B12R0.206 CCCNC(=O)CNCCCCO 34a_100000750430_100000183358 [0,1,0,0,0,0|2,0,1]=4 7491 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000183358_100000210776 [0,1,0,0,0,0|2,0,1]=4 7492 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000210776_100000183358 [0,1,0,0,0,0|2,0,1]=4 7493 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,1,0,0,0,0|2,0,1]=4 7494 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,1,0,0,0,0|2,0,1]=4 7495 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,1,0,0,0,0|2,0,1]=4 7496 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,1,0,0,0,0|2,0,1]=4 7497 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,1,0,0,0,0|2,0,1]=4 7498 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,1,0,0,0,0|2,0,1]=4 7499 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,1,0,0,0,0|2,0,1]=4 7500 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,1,0,0,0,0|2,0,1]=4 7501 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,1,0,0,0,0|2,0,1]=4 7502 B12R0.206 CCCOC(C)CNCCCCF 2230a_100015185124_100000729493 [0,1,0,0,0,0|3,0,0]=4 7503 B12R0.206 CCCOC(C)CNCCCCF 34a_100015185124_100000729493 [0,1,0,0,0,0|3,0,0]=4 7504 B12R0.206 CCCOC(C)CNCCCCO 2230a_100015185124_100000210776 [0,1,0,0,0,0|2,0,0]=3 7505 B12R0.206 CCCOC(C)CNCCCCO 34a_100015185124_100011216708 [0,1,0,0,0,0|2,0,0]=3 7506 B12R0.206 CCCOCCOC(C)CCCCl 34a_200000718107_100011215938 [0,1,0,0,0,0|3,0,0]=4 7507 B12R0.206 CCCOCCOC(C)CCCCl 7a_200000718107_100011215938 [0,1,0,0,0,0|3,0,0]=4 7508 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,1,0,0,0,0|2,0,1]=4 7509 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,1,0,0,0,0|1,0,1]=3 7510 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,1,0,0,0,0|2,0,1]=4 7511 B12R0.206 CCOCC(C)OCCCCCF 34a_100000718985_100000729378 [0,1,0,0,0,0|3,0,0]=4 7512 B12R0.206 CCOCC(C)OCCCCCF 7a_100000718985_100000729378 [0,1,0,0,0,0|3,0,0]=4 7513 B12R0.206 CCOCC(C)OCCCCCO 34a_100000718985_100000746330 [0,1,0,0,0,0|2,0,0]=3 7514 B12R0.206 CCOCC(C)OCCCCCO 7a_100000718985_100000746330 [0,1,0,0,0,0|2,0,0]=3 7515 B12R0.206 CCOCC(C)OCCOCCO 34a_100000718985_100000692535 [0,1,0,0,0,0|3,0,0]=4 7516 B12R0.206 CCOCC(C)OCCOCCO 7a_100000718985_100011215305 [0,1,0,0,0,0|3,0,0]=4 7517 B12R0.206 CCOCC(O)CNCCCCF 2230a_102515437182_100000729493 [0,1,0,0,0,0|3,0,0]=4 7518 B12R0.206 CCOCC(O)CNCCCCF 34a_102515437182_100000729493 [0,1,0,0,0,0|3,0,0]=4 7519 B12R0.206 CCOCC(O)CNCCCCO 2230a_102515437182_100000210776 [0,1,0,0,0,0|2,0,0]=3 7520 B12R0.206 CCOCC(O)CNCCCCO 34a_102515437182_100011216708 [0,1,0,0,0,0|2,0,0]=3 7521 B12R0.206 CCOCCCOC(C)CCCCl 34a_200000718107_100012232248 [0,1,0,0,0,0|3,0,0]=4 7522 B12R0.206 CCOCCCOC(C)CCCCl 7a_200000718107_100012232248 [0,1,0,0,0,0|3,0,0]=4 7523 B12R0.206 CCOCCNC[C@H](C)CCCO 2230a_100160569302_100011215890 [0,1,0,0,0,0|2,0,0]=3 7524 B12R0.206 CCOCCNC[C@H](C)CCCO 34a_100160569302_100000210147 [0,1,0,0,0,0|2,0,0]=3 7525 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,1,0,0,0,0|2,0,1]=4 7526 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,1,0,0,0,0|1,0,1]=3 7527 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,1,0,0,0,0|2,0,1]=4 7528 B12R0.206 CCSCC(C)NCCCCCO 270004a_100000762737_200011216171 [0,1,0,0,0,0|2,0,0]=3 7529 B12R0.206 CCSCC(C)NCCOCCO 270004a_100000211614_200011216171 [0,1,0,0,0,0|3,0,0]=4 7530 B12R0.206 CCSCC(C)NCCSCCO 270004a_100011219999_200011216171 [0,1,0,0,0,0|3,0,0]=4 7531 B12R0.206 CCSCCNC[C@H](C)CCCO 2230a_100160569302_100000757381 [0,1,0,0,0,0|2,0,0]=3 7532 B12R0.206 CCSCCNC[C@H](C)CCCO 34a_100160569302_100000757381 [0,1,0,0,0,0|2,0,0]=3 7533 B12R0.206 CN(CCC#N)CCCCCCO 2230a_100000184479_100000766143 [0,1,0,0,0,0|2,0,1]=4 7534 B12R0.206 CN(CCCO)CCCCCC#N 2230a_100000213112_100009813376 [0,1,0,0,0,0|2,0,1]=4 7535 B12R0.206 CN(CCCO)CCCCCC#N 269982a_100000213112_100009813376 [0,1,0,0,0,0|2,0,1]=4 7536 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [0,1,0,0,0,0|2,0,1]=4 7537 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [0,1,0,0,0,0|2,0,1]=4 7538 B12R0.206 CN(CCCO)CCCCCCF 2230a_100000213112_100015922095 [0,1,0,0,0,0|2,0,0]=3 7539 B12R0.206 CN(CCCO)CCCCCCF 269982a_100000213112_100015922095 [0,1,0,0,0,0|2,0,0]=3 7540 B12R0.206 CN(CCCO)CCCCCCO 2230a_100000213112_100000766143 [0,1,0,0,0,0|2,0,0]=3 7541 B12R0.206 CN(CCCO)CCCCCCO 269982a_100000213112_100000766143 [0,1,0,0,0,0|2,0,0]=3 7542 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,1,0,0,0,0|2,0,1]=4 7543 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,1,0,0,0,0|1,0,1]=3 7544 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,1,0,0,0,0|1,0,1]=3 7545 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,1,0,0,0,0|2,0,1]=4 7546 B12R0.206 COCCC(C)NCCCCCO 270004a_100000762737_100000742357 [0,1,0,0,0,0|2,0,0]=3 7547 B12R0.206 COCCC(C)NCCOCCO 270004a_100000211614_100000742357 [0,1,0,0,0,0|3,0,0]=4 7548 B12R0.206 COCCC(C)NCCSCCO 270004a_100011219999_100000742357 [0,1,0,0,0,0|3,0,0]=4 7549 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,1,0,0,0,0|2,0,1]=4 7550 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,1,0,0,0,0|1,0,1]=3 7551 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,1,0,0,0,0|2,0,1]=4 7552 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,1,0,0,0,0|2,0,1]=4 7553 B12R0.206 COCCCCOC(C)CCCCl 34a_200000718107_100000755781 [0,1,0,0,0,0|3,0,0]=4 7554 B12R0.206 COCCCCOC(C)CCCCl 7a_200000718107_100000730899 [0,1,0,0,0,0|3,0,0]=4 7555 B12R0.206 COCCCNC[C@H](C)CCCO 2230a_100160569302_100000740836 [0,1,0,0,0,0|2,0,0]=3 7556 B12R0.206 COCCCNC[C@H](C)CCCO 34a_100160569302_100000740836 [0,1,0,0,0,0|2,0,0]=3 7557 B12R0.206 COCCN(C)CCCCCCF 2230a_100000743101_100015922095 [0,1,0,0,0,0|3,0,0]=4 7558 B12R0.206 COCCN(C)CCCCCCF 269982a_100000743101_100015922095 [0,1,0,0,0,0|3,0,0]=4 7559 B12R0.206 COCCN(C)CCCCCCO 2230a_100000743101_100000766143 [0,1,0,0,0,0|2,0,0]=3 7560 B12R0.206 COCCN(C)CCCCCCO 269982a_100000743101_100000766143 [0,1,0,0,0,0|2,0,0]=3 7561 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,1,0,0,0,0|2,0,1]=4 7562 B12R0.206 COCCOCCN(C)CCCO 2230a_100000213112_100000695917 [0,1,0,0,0,0|3,0,0]=4 7563 B12R0.206 COCCOCCN(C)CCCO 269982a_100000213112_100000695917 [0,1,0,0,0,0|3,0,0]=4 7564 B12R0.206 COCO[C@H](C)COCCCCO 34a_100016172286_100011216708 [0,1,0,0,0,0|3,0,0]=4 7565 B12R0.206 COCO[C@H](C)COCCCCO 7a_100016172286_100000210776 [0,1,0,0,0,0|3,0,0]=4 7566 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,1,0,0,0,0|2,0,1]=4 7567 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,1,0,0,0,0|1,0,1]=3 7568 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,1,0,0,0,0|1,0,1]=3 7569 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,1,0,0,0,0|2,0,1]=4 7570 B12R0.206 CSCCC(C)NCCCCCO 270004a_100000762737_100011217047 [0,1,0,0,0,0|2,0,0]=3 7571 B12R0.206 CSCCC(C)NCCOCCO 270004a_100000211614_100011217047 [0,1,0,0,0,0|3,0,0]=4 7572 B12R0.206 CSCCC(C)NCCSCCO 270004a_100011219999_100011217047 [0,1,0,0,0,0|3,0,0]=4 7573 B12R0.206 CSCCN(C)CCCCCCF 2230a_100000686725_100015922095 [0,1,0,0,0,0|3,0,0]=4 7574 B12R0.206 CSCCN(C)CCCCCCF 269982a_100000686725_100015922095 [0,1,0,0,0,0|3,0,0]=4 7575 B12R0.206 CSCCN(C)CCCCCCO 2230a_100000686725_100000766143 [0,1,0,0,0,0|2,0,0]=3 7576 B12R0.206 CSCCN(C)CCCCCCO 269982a_100000686725_100000766143 [0,1,0,0,0,0|2,0,0]=3 7577 B12R0.206 CSCC[C@H](N)COCCCCF 34a_100011827619_100000729493 [0,1,0,0,0,0|3,0,0]=4 7578 B12R0.206 CSCC[C@H](N)COCCCCO 34a_100011827619_100011216708 [0,1,0,0,0,0|2,0,0]=3 7579 B12R0.206 C[C@H](CCCO)CNCCCC#N 2230a_100160569302_100000687738 [0,1,0,0,0,0|2,0,1]=4 7580 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [0,1,0,0,0,0|2,0,1]=4 7581 B12R0.206 C[C@H](CCCO)CNCCCCF 2230a_100160569302_100000729493 [0,1,0,0,0,0|2,0,0]=3 7582 B12R0.206 C[C@H](CCCO)CNCCCCF 34a_100160569302_100000729493 [0,1,0,0,0,0|2,0,0]=3 7583 B12R0.206 C[C@H](CCCO)CNCCCCO 2230a_100160569302_100000210776 [0,1,0,0,0,0|2,0,0]=3 7584 B12R0.206 C[C@H](CCCO)CNCCCCO 34a_100160569302_100011216708 [0,1,0,0,0,0|2,0,0]=3 7585 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,1,0,0,0,0|1,0,2]=4 7586 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,1,0,0,0,0|1,0,2]=4 7587 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,1,0,0,0,0|2,0,1]=4 7588 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,1,0,0,0,0|2,0,1]=4 7589 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,1,0,0,0,0|1,0,1]=3 7590 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,1,0,0,0,0|1,0,1]=3 7591 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|1,0,2]=4 7592 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|1,0,2]=4 7593 B12R0.234 C#CCCCCCCCNC(C)C 2230a_100138425928_100153394163 [0,1,0,0,0,0|2,0,1]=4 7594 B12R0.234 C#CCCCCCCCNC(C)C 34a_100138425928_100153394163 [0,1,0,0,0,0|2,0,1]=4 7595 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000054614_100000210206 [0,1,0,0,0,0|2,0,1]=4 7596 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000212225_100153394163 [0,1,0,0,0,0|2,0,1]=4 7597 B12R0.234 C#CCCCCCCCOC(C)C 7a_100000054614_100000210206 [0,1,0,0,0,0|2,0,1]=4 7598 B12R0.234 C#CCCCCCCCSC(C)C 62a_100000210206_100153394163 [0,1,0,0,0,0|2,0,1]=4 7599 B12R0.234 C#CCCCCCCCSC(C)C 62a_100153394163_100000210206 [0,1,0,0,0,0|2,0,1]=4 7600 B12R0.234 C#CCCCCCCNCC(C)C 2230a_100000210953_100012276617 [0,1,0,0,0,0|2,0,1]=4 7601 B12R0.234 C#CCCCCCCNCC(C)C 34a_100000210953_100012276617 [0,1,0,0,0,0|2,0,1]=4 7602 B12R0.234 C#CCCCCCCNCC(C)O 2230a_100000210904_100012276617 [0,1,0,0,0,0|1,0,2]=4 7603 B12R0.234 C#CCCCCCCNCC(C)O 34a_100000210904_100012276617 [0,1,0,0,0,0|1,0,2]=4 7604 B12R0.234 C#CCCCCCCOCC(C)Br 34a_100012180447_100012276617 [0,1,0,0,0,0|2,0,1]=4 7605 B12R0.234 C#CCCCCCCOCC(C)C 34a_100000210257_100012276617 [0,1,0,0,0,0|2,0,1]=4 7606 B12R0.234 C#CCCCCCCOCC(C)C 34a_100011217361_100000210624 [0,1,0,0,0,0|2,0,1]=4 7607 B12R0.234 C#CCCCCCCOCC(C)C 7a_100011217361_100000210760 [0,1,0,0,0,0|2,0,1]=4 7608 B12R0.234 C#CCCCCCCOCC(C)F 34a_100015925927_100012276617 [0,1,0,0,0,0|2,0,1]=4 7609 B12R0.234 C#CCCCCCCOCC(C)O 34a_100011217361_100011218427 [0,1,0,0,0,0|1,0,2]=4 7610 B12R0.234 C#CCCCCCCOCC(C)O 7a_100011217361_100011218427 [0,1,0,0,0,0|1,0,2]=4 7611 B12R0.234 C#CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012276617 [0,1,0,0,0,0|2,0,1]=4 7612 B12R0.234 C#CCCCCCCOC[C@@H](C)N 34a_100000737577_100012276617 [0,1,0,0,0,0|2,0,1]=4 7613 B12R0.234 C#CCCCCCCOC[C@@H](C)O 34a_100011217361_100009817552 [0,1,0,0,0,0|1,0,2]=4 7614 B12R0.234 C#CCCCCCCOC[C@@H](C)O 7a_100011217361_100009817552 [0,1,0,0,0,0|1,0,2]=4 7615 B12R0.234 C#CCCCCCCSCC(C)C 62a_100000210624_100012276617 [0,1,0,0,0,0|2,0,1]=4 7616 B12R0.234 C#CCCCCCCSCC(C)C 62a_100012276617_100000210760 [0,1,0,0,0,0|2,0,1]=4 7617 B12R0.234 C#CCCCCCCSCC(C)O 62a_100011218427_100012276617 [0,1,0,0,0,0|1,0,2]=4 7618 B12R0.234 C#CCCCCCCSCC(C)O 62a_100012276617_100011218427 [0,1,0,0,0,0|1,0,2]=4 7619 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100009817552_100012276617 [0,1,0,0,0,0|1,0,2]=4 7620 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100012276617_100009817552 [0,1,0,0,0,0|1,0,2]=4 7621 B12R0.234 C#CCCCCCNCCC(C)O 2230a_200000755665_100012094781 [0,1,0,0,0,0|1,0,2]=4 7622 B12R0.234 C#CCCCCCOCCC(C)Br 34a_100009893172_100012094781 [0,1,0,0,0,0|2,0,1]=4 7623 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000210254_100012094781 [0,1,0,0,0,0|2,0,1]=4 7624 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000766912_100000210312 [0,1,0,0,0,0|2,0,1]=4 7625 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000210254_100012094781 [0,1,0,0,0,0|2,0,1]=4 7626 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000766912_100000210626 [0,1,0,0,0,0|2,0,1]=4 7627 B12R0.234 C#CCCCCCOCCC(C)O 34a_100000766912_100012276601 [0,1,0,0,0,0|1,0,2]=4 7628 B12R0.234 C#CCCCCCOCCC(C)O 7a_100000766912_100012276601 [0,1,0,0,0,0|1,0,2]=4 7629 B12R0.234 C#CCCCCCOCC[C@@H](C)N 34a_100000706166_100012094781 [0,1,0,0,0,0|2,0,1]=4 7630 B12R0.234 C#CCCCCCSCCC(C)C 62a_100000210312_100012094781 [0,1,0,0,0,0|2,0,1]=4 7631 B12R0.234 C#CCCCCCSCCC(C)C 62a_100012094781_100000210312 [0,1,0,0,0,0|2,0,1]=4 7632 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012094781_100012276601 [0,1,0,0,0,0|1,0,2]=4 7633 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012276601_100012094781 [0,1,0,0,0,0|1,0,2]=4 7634 B12R0.234 C#CCCCCNCCCC(C)C 2230a_100000706060_100011214892 [0,1,0,0,0,0|2,0,1]=4 7635 B12R0.234 C#CCCCCNCCCC(C)C 2230a_200000737386_100010269958 [0,1,0,0,0,0|2,0,1]=4 7636 B12R0.234 C#CCCCCNCCCC(C)C 34a_100000706060_100011214892 [0,1,0,0,0,0|2,0,1]=4 7637 B12R0.234 C#CCCCCNCCCC(C)C 34a_200000737386_100010269958 [0,1,0,0,0,0|2,0,1]=4 7638 B12R0.234 C#CCCCCNCCCC(C)O 2230a_100000706060_200000718107 [0,1,0,0,0,0|1,0,2]=4 7639 B12R0.234 C#CCCCCNCCCC(C)O 34a_100000706060_200000718107 [0,1,0,0,0,0|1,0,2]=4 7640 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000210774_100010269958 [0,1,0,0,0,0|2,0,1]=4 7641 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000766709_100011214892 [0,1,0,0,0,0|2,0,1]=4 7642 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000210774_100010269958 [0,1,0,0,0,0|2,0,1]=4 7643 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000766709_100011214892 [0,1,0,0,0,0|2,0,1]=4 7644 B12R0.234 C#CCCCCOCCCC(C)O 34a_100000766709_200000718107 [0,1,0,0,0,0|1,0,2]=4 7645 B12R0.234 C#CCCCCOCCCC(C)O 7a_100000766709_200000718107 [0,1,0,0,0,0|1,0,2]=4 7646 B12R0.234 C#CCCCCSCCCC(C)C 62a_100010269958_100011214892 [0,1,0,0,0,0|2,0,1]=4 7647 B12R0.234 C#CCCCCSCCCC(C)C 62a_100011214892_100010269958 [0,1,0,0,0,0|2,0,1]=4 7648 B12R0.234 C#CCCCCSCCCC(C)O 62a_100010269958_200000718107 [0,1,0,0,0,0|1,0,2]=4 7649 B12R0.234 C#CCCCCSCCCC(C)O 62a_200000718107_100010269958 [0,1,0,0,0,0|1,0,2]=4 7650 B12R0.234 C#CCCCNCCCCC(C)C 34a_100000718082_100011216152 [0,1,0,0,0,0|2,0,1]=4 7651 B12R0.234 C#CCCCOCCCCC(C)C 34a_100000215630_100011216152 [0,1,0,0,0,0|2,0,1]=4 7652 B12R0.234 C#CCCCOCCCCC(C)C 34a_100011214890_100000695029 [0,1,0,0,0,0|2,0,1]=4 7653 B12R0.234 C#CCCCOCCCCC(C)C 7a_100000215630_100011216152 [0,1,0,0,0,0|2,0,1]=4 7654 B12R0.234 C#CCCCOCCCCC(C)C 7a_100011214890_100011215417 [0,1,0,0,0,0|2,0,1]=4 7655 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011215417_100011216152 [0,1,0,0,0,0|2,0,1]=4 7656 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011216152_100011215417 [0,1,0,0,0,0|2,0,1]=4 7657 B12R0.234 C#CCCNCCCCCC(C)C 2230a_100011290863_100000688953 [0,1,0,0,0,0|2,0,1]=4 7658 B12R0.234 C#CCCNCCCCCC(C)C 34a_100000755551_100000210682 [0,1,0,0,0,0|2,0,1]=4 7659 B12R0.234 C#CCCNCCCCCC(C)C 34a_100011290863_100000688953 [0,1,0,0,0,0|2,0,1]=4 7660 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011215631_100000210682 [0,1,0,0,0,0|2,0,1]=4 7661 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011995859_100000688953 [0,1,0,0,0,0|2,0,1]=4 7662 B12R0.234 C#CCCOCCCCCC(C)C 7a_100011995859_100000688953 [0,1,0,0,0,0|2,0,1]=4 7663 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000210682_100000688953 [0,1,0,0,0,0|2,0,1]=4 7664 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000688953_100000210682 [0,1,0,0,0,0|2,0,1]=4 7665 B12R0.234 C#CCNCCCCCCC(C)C 2230a_100000211014_100000038162 [0,1,0,0,0,0|2,0,1]=4 7666 B12R0.234 C#CCNCCCCCCC(C)C 34a_100000211014_100000184674 [0,1,0,0,0,0|2,0,1]=4 7667 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,0,0,0,0|2,0,1]=4 7668 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,1,0,0,0,0|1,0,2]=4 7669 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,0,0,0,0|2,0,1]=4 7670 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,1,0,0,0,0|1,0,1]=3 7671 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,1,0,0,0,0|1,0,1]=3 7672 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,1,0,0,0,0|2,0,1]=4 7673 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,1,0,0,0,0|2,0,1]=4 7674 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|2,0,1]=4 7675 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|2,0,1]=4 7676 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|2,0,1]=4 7677 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,1,0,0,0,0|2,0,1]=4 7678 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,1,0,0,0,0|2,0,1]=4 7679 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,1,0,0,0,0|2,0,1]=4 7680 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,1,0,0,0,0|2,0,1]=4 7681 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,1,0,0,0,0|2,0,1]=4 7682 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,1,0,0,0,0|2,0,1]=4 7683 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,1,0,0,0,0|1,0,1]=3 7684 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,0,0,0,0|2,0,1]=4 7685 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,0,0,0,0|2,0,1]=4 7686 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,1,0,0,0,0|2,0,1]=4 7687 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,1,0,0,0,0|2,0,1]=4 7688 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,1,0,0,0,0|1,0,1]=3 7689 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,1,0,0,0,0|1,0,1]=3 7690 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,0,0,0,0|2,0,1]=4 7691 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,0,0,0,0|2,0,1]=4 7692 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,1,0,0,0,0|1,0,1]=3 7693 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,1,0,0,0,0|1,0,1]=3 7694 B12R0.234 C=C(C)CNCCCOCCCO 2230a_100011310245_100000748629 [0,1,0,0,0,0|2,0,1]=4 7695 B12R0.234 C=C(C)CNCCCOCCCO 34a_100011310245_100000748629 [0,1,0,0,0,0|2,0,1]=4 7696 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,1,0,0,0,0|2,0,1]=4 7697 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,1,0,0,0,0|2,0,1]=4 7698 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,0,0,0,0|2,0,1]=4 7699 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,0,0,0,0|2,0,1]=4 7700 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,0,0,0,0|2,0,1]=4 7701 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,1,0,0,0,0|2,0,1]=4 7702 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,1,0,0,0,0|1,0,1]=3 7703 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,0,0,0,0|2,0,1]=4 7704 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,0,0,0,0|2,0,1]=4 7705 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,1,0,0,0,0|1,0,1]=3 7706 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,1,0,0,0,0|1,0,1]=3 7707 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,0,0,0,0|2,0,1]=4 7708 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,0,0,0,0|2,0,1]=4 7709 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,1,0,0,0,0|1,0,2]=4 7710 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,1,0,0,0,0|1,0,2]=4 7711 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,0,0,0,0|2,0,1]=4 7712 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,0,0,0,0|2,0,1]=4 7713 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,0,0,0,0|2,0,1]=4 7714 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,1,0,0,0,0|1,0,2]=4 7715 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,0,0,0,0|2,0,1]=4 7716 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,0,0,0,0|2,0,1]=4 7717 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,1,0,0,0,0|1,0,2]=4 7718 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,1,0,0,0,0|1,0,2]=4 7719 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|1,0,2]=4 7720 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|1,0,2]=4 7721 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|1,0,2]=4 7722 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,1,0,0,0,0|2,0,1]=4 7723 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,1,0,0,0,0|2,0,1]=4 7724 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,1,0,0,0,0|2,0,1]=4 7725 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,1,0,0,0,0|2,0,1]=4 7726 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,1,0,0,0,0|2,0,1]=4 7727 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,1,0,0,0,0|2,0,1]=4 7728 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,1,0,0,0,0|2,0,1]=4 7729 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,1,0,0,0,0|2,0,1]=4 7730 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,1,0,0,0,0|2,0,1]=4 7731 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,1,0,0,0,0|2,0,1]=4 7732 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,1,0,0,0,0|2,0,1]=4 7733 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,1,0,0,0,0|1,0,2]=4 7734 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,1,0,0,0,0|1,0,2]=4 7735 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,1,0,0,0,0|2,0,1]=4 7736 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,1,0,0,0,0|2,0,1]=4 7737 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,1,0,0,0,0|2,0,1]=4 7738 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,1,0,0,0,0|2,0,1]=4 7739 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,1,0,0,0,0|2,0,1]=4 7740 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,1,0,0,0,0|1,0,2]=4 7741 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,1,0,0,0,0|1,0,2]=4 7742 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,1,0,0,0,0|2,0,1]=4 7743 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,1,0,0,0,0|2,0,1]=4 7744 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,1,0,0,0,0|1,0,2]=4 7745 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,1,0,0,0,0|1,0,2]=4 7746 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,1,0,0,0,0|2,0,1]=4 7747 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,1,0,0,0,0|2,0,1]=4 7748 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,1,0,0,0,0|1,0,2]=4 7749 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,1,0,0,0,0|1,0,2]=4 7750 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,1,0,0,0,0|1,0,2]=4 7751 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,1,0,0,0,0|1,0,2]=4 7752 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,1,0,0,0,0|1,0,2]=4 7753 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,1,0,0,0,0|2,0,1]=4 7754 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,1,0,0,0,0|2,0,1]=4 7755 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,1,0,0,0,0|2,0,1]=4 7756 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,1,0,0,0,0|2,0,1]=4 7757 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,1,0,0,0,0|2,0,1]=4 7758 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,1,0,0,0,0|1,0,2]=4 7759 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,1,0,0,0,0|1,0,2]=4 7760 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,1,0,0,0,0|2,0,1]=4 7761 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,1,0,0,0,0|2,0,1]=4 7762 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,1,0,0,0,0|2,0,1]=4 7763 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,1,0,0,0,0|1,0,2]=4 7764 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,1,0,0,0,0|1,0,2]=4 7765 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,1,0,0,0,0|2,0,1]=4 7766 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,1,0,0,0,0|2,0,1]=4 7767 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,1,0,0,0,0|2,0,1]=4 7768 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,1,0,0,0,0|2,0,1]=4 7769 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,1,0,0,0,0|1,0,2]=4 7770 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,1,0,0,0,0|1,0,2]=4 7771 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,1,0,0,0,0|2,0,1]=4 7772 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,1,0,0,0,0|2,0,1]=4 7773 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,1,0,0,0,0|2,0,1]=4 7774 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,1,0,0,0,0|2,0,1]=4 7775 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,1,0,0,0,0|1,0,2]=4 7776 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,1,0,0,0,0|1,0,2]=4 7777 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,1,0,0,0,0|2,0,1]=4 7778 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,1,0,0,0,0|2,0,1]=4 7779 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,1,0,0,0,0|1,0,2]=4 7780 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,1,0,0,0,0|1,0,2]=4 7781 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,1,0,0,0,0|2,0,1]=4 7782 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,1,0,0,0,0|2,0,1]=4 7783 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,1,0,0,0,0|2,0,1]=4 7784 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,1,0,0,0,0|2,0,1]=4 7785 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,1,0,0,0,0|2,0,1]=4 7786 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,1,0,0,0,0|2,0,1]=4 7787 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,1,0,0,0,0|2,0,1]=4 7788 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,1,0,0,0,0|2,0,1]=4 7789 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,1,0,0,0,0|2,0,1]=4 7790 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,1,0,0,0,0|2,0,1]=4 7791 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,1,0,0,0,0|2,0,1]=4 7792 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,1,0,0,0,0|2,0,1]=4 7793 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,1,0,0,0,0|2,0,1]=4 7794 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,1,0,0,0,0|2,0,1]=4 7795 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,1,0,0,0,0|2,0,1]=4 7796 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,1,0,0,0,0|2,0,1]=4 7797 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,1,0,0,0,0|2,0,1]=4 7798 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,1,0,0,0,0|2,0,1]=4 7799 B12R0.234 CC(=CCCNCCCCCO)C 2230a_100000762737_100011217483 [0,1,0,0,0,0|1,0,2]=4 7800 B12R0.234 CC(=CCCNCCCCCO)C 34a_100000762737_100011217483 [0,1,0,0,0,0|1,0,2]=4 7801 B12R0.234 CC(=CCCSCCCCCO)C 62a_100000746330_100011217483 [0,1,0,0,0,0|1,0,2]=4 7802 B12R0.234 CC(=CCCSCCCCCO)C 62a_100011217483_100000746330 [0,1,0,0,0,0|1,0,2]=4 7803 B12R0.234 CC(=CCNCCCCCCO)C 2230a_100000686447_100000761012 [0,1,0,0,0,0|1,0,2]=4 7804 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000686447_100000761012 [0,1,0,0,0,0|1,0,2]=4 7805 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000718196_100000766143 [0,1,0,0,0,0|1,0,2]=4 7806 B12R0.234 CC(=CCOCCCCCCO)C 34a_100000753907_100000766143 [0,1,0,0,0,0|1,0,2]=4 7807 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000761012_100000766143 [0,1,0,0,0,0|1,0,2]=4 7808 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000766143_100000761012 [0,1,0,0,0,0|1,0,2]=4 7809 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,1]=3 7810 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|0,0,1]=2 7811 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|1,0,1]=3 7812 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|2,0,1]=4 7813 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|2,0,1]=4 7814 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|2,0,1]=4 7815 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|2,0,1]=4 7816 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|2,0,1]=4 7817 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|2,0,1]=4 7818 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,1]=4 7819 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|2,0,1]=4 7820 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|2,0,1]=4 7821 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|1,0,1]=3 7822 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|1,0,1]=3 7823 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|1,0,1]=3 7824 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,1,0,0,0,0|2,0,1]=4 7825 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,1]=4 7826 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,1]=4 7827 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,1]=4 7828 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 7829 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 7830 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 7831 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,1]=4 7832 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,1]=4 7833 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 7834 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|1,0,1]=3 7835 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|1,0,1]=3 7836 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,1,0,0,0,0|2,0,1]=4 7837 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,1,0,0,0,0|2,0,1]=4 7838 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,1]=4 7839 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,1]=4 7840 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|1,0,1]=3 7841 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|1,0,1]=3 7842 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,1,0,0,0,0|2,0,1]=4 7843 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,1,0,0,0,0|2,0,1]=4 7844 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,1]=4 7845 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 7846 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 7847 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,1]=4 7848 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 7849 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|1,0,1]=3 7850 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|1,0,1]=3 7851 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,1]=4 7852 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,1]=4 7853 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|1,0,1]=3 7854 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|1,0,1]=3 7855 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|1,0,1]=3 7856 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|1,0,1]=3 7857 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,1,0,0,0,0|2,0,1]=4 7858 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,1,0,0,0,0|2,0,1]=4 7859 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,1,0,0,0,0|2,0,1]=4 7860 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,1,0,0,0,0|2,0,1]=4 7861 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,1,0,0,0,0|2,0,1]=4 7862 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,1,0,0,0,0|2,0,1]=4 7863 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,1,0,0,0,0|2,0,1]=4 7864 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,1,0,0,0,0|2,0,1]=4 7865 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,1,0,0,0,0|2,0,1]=4 7866 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,1,0,0,0,0|2,0,1]=4 7867 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,1,0,0,0,0|2,0,1]=4 7868 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,1,0,0,0,0|2,0,1]=4 7869 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,1,0,0,0,0|2,0,1]=4 7870 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,1,0,0,0,0|2,0,1]=4 7871 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,1,0,0,0,0|2,0,1]=4 7872 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,1,0,0,0,0|2,0,1]=4 7873 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,1,0,0,0,0|2,0,1]=4 7874 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,1,0,0,0,0|2,0,1]=4 7875 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,1,0,0,0,0|2,0,1]=4 7876 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,1,0,0,0,0|2,0,1]=4 7877 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,1,0,0,0,0|2,0,1]=4 7878 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,1,0,0,0,0|2,0,1]=4 7879 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,1,0,0,0,0|2,0,1]=4 7880 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,1,0,0,0,0|2,0,1]=4 7881 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,1,0,0,0,0|2,0,1]=4 7882 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,1,0,0,0,0|2,0,1]=4 7883 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,1,0,0,0,0|2,0,1]=4 7884 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,1,0,0,0,0|2,0,1]=4 7885 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,1,0,0,0,0|2,0,1]=4 7886 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,1,0,0,0,0|2,0,1]=4 7887 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,1,0,0,0,0|2,0,1]=4 7888 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,1,0,0,0,0|2,0,1]=4 7889 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,1,0,0,0,0|2,0,1]=4 7890 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,1,0,0,0,0|2,0,1]=4 7891 B12R0.234 CC(=S)OCCCNCCCCO 2230a_100000750430_200135323944 [0,1,0,0,0,0|2,0,1]=4 7892 B12R0.234 CC(=S)OCCCNCCCCO 34a_100000750430_200135323944 [0,1,0,0,0,0|2,0,1]=4 7893 B12R0.234 CC(=S)OCCCSCCCCO 62a_100000210776_200135323944 [0,1,0,0,0,0|2,0,1]=4 7894 B12R0.234 CC(=S)OCCCSCCCCO 62a_200135323944_100000210776 [0,1,0,0,0,0|2,0,1]=4 7895 B12R0.234 CC(Br)CCOCCCCCCF 34a_100009893172_100015922095 [0,1,0,0,0,0|2,0,0]=3 7896 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,1,0,0,0,0|1,0,0]=2 7897 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,1,0,0,0,0|1,0,0]=2 7898 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [0,1,0,0,0,0|2,0,0]=3 7899 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [0,1,0,0,0,0|2,0,0]=3 7900 B12R0.234 CC(C)CCCCCCNCC#N 2230a_100000211014_100011215382 [0,1,0,0,0,0|2,0,1]=4 7901 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [0,1,0,0,0,0|1,0,2]=4 7902 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [0,1,0,0,0,0|1,0,2]=4 7903 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [0,1,0,0,0,0|2,0,0]=3 7904 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [0,1,0,0,0,0|2,0,0]=3 7905 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,1,0,0,0,0|1,0,0]=2 7906 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,1,0,0,0,0|1,0,0]=2 7907 B12R0.234 CC(C)CCCCCNCCC#N 2230a_100011290863_100011215226 [0,1,0,0,0,0|2,0,1]=4 7908 B12R0.234 CC(C)CCCCCNCCCF 2230a_100011290863_100011934791 [0,1,0,0,0,0|2,0,0]=3 7909 B12R0.234 CC(C)CCCCCNCCCF 2230a_100015189416_100000210682 [0,1,0,0,0,0|2,0,0]=3 7910 B12R0.234 CC(C)CCCCCNCCCF 34a_100011290863_100011934791 [0,1,0,0,0,0|2,0,0]=3 7911 B12R0.234 CC(C)CCCCCNCCCF 34a_100015189416_100000210682 [0,1,0,0,0,0|2,0,0]=3 7912 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,1,0,0,0,0|1,0,0]=2 7913 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,1,0,0,0,0|1,0,0]=2 7914 B12R0.234 CC(C)CCCCCOCCC#N 7a_100011995859_100000184422 [0,1,0,0,0,0|2,0,1]=4 7915 B12R0.234 CC(C)CCCCCOCCCBr 34a_100011217188_100000210682 [0,1,0,0,0,0|2,0,0]=3 7916 B12R0.234 CC(C)CCCCCOCCCCl 34a_100000230001_100000210682 [0,1,0,0,0,0|2,0,0]=3 7917 B12R0.234 CC(C)CCCCCOCCCF 34a_100000759539_100000210682 [0,1,0,0,0,0|2,0,0]=3 7918 B12R0.234 CC(C)CCCCCOCCCF 34a_100011995859_100011934791 [0,1,0,0,0,0|2,0,0]=3 7919 B12R0.234 CC(C)CCCCCOCCCF 7a_100011995859_100011934791 [0,1,0,0,0,0|2,0,0]=3 7920 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [0,1,0,0,0,0|2,0,0]=3 7921 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,1,0,0,0,0|1,0,0]=2 7922 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,1,0,0,0,0|1,0,0]=2 7923 B12R0.234 CC(C)CCCCCOCCON 34a_100000700252_100000210682 [0,1,0,0,0,0|3,0,0]=4 7924 B12R0.234 CC(C)CCCCCSCCC#N 62a_100000210682_100011215226 [0,1,0,0,0,0|2,0,1]=4 7925 B12R0.234 CC(C)CCCCCSCCC#N 62a_100011215226_100000210682 [0,1,0,0,0,0|2,0,1]=4 7926 B12R0.234 CC(C)CCCCCSCCCF 62a_100000210682_100011934791 [0,1,0,0,0,0|2,0,0]=3 7927 B12R0.234 CC(C)CCCCCSCCCF 62a_100011934791_100000210682 [0,1,0,0,0,0|2,0,0]=3 7928 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,1,0,0,0,0|1,0,0]=2 7929 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,1,0,0,0,0|1,0,0]=2 7930 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,1,0,0,0,0|1,0,0]=2 7931 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,1,0,0,0,0|1,0,0]=2 7932 B12R0.234 CC(C)CCCCOCC#CCO 34a_100011214890_200000047223 [0,1,0,0,0,0|1,0,2]=4 7933 B12R0.234 CC(C)CCCCOCC#CCO 7a_100011214890_200000047223 [0,1,0,0,0,0|1,0,2]=4 7934 B12R0.234 CC(C)CCCCOCCCC#N 7a_100011214890_100000687738 [0,1,0,0,0,0|2,0,1]=4 7935 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [0,1,0,0,0,0|1,0,2]=4 7936 B12R0.234 CC(C)CCCCOCCCCBr 34a_100011216708_100011216152 [0,1,0,0,0,0|2,0,0]=3 7937 B12R0.234 CC(C)CCCCOCCCCCl 34a_100000210776_100011216152 [0,1,0,0,0,0|2,0,0]=3 7938 B12R0.234 CC(C)CCCCOCCCCCl 7a_100000210776_100011216152 [0,1,0,0,0,0|2,0,0]=3 7939 B12R0.234 CC(C)CCCCOCCCCF 34a_100011214890_100000729493 [0,1,0,0,0,0|2,0,0]=3 7940 B12R0.234 CC(C)CCCCOCCCCF 34a_100011995726_100011216152 [0,1,0,0,0,0|2,0,0]=3 7941 B12R0.234 CC(C)CCCCOCCCCF 7a_100011214890_100000729493 [0,1,0,0,0,0|2,0,0]=3 7942 B12R0.234 CC(C)CCCCOCCCCF 7a_100011995726_100011216152 [0,1,0,0,0,0|2,0,0]=3 7943 B12R0.234 CC(C)CCCCOCCCCI 34a_200012148704_100011216152 [0,1,0,0,0,0|2,0,0]=3 7944 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [0,1,0,0,0,0|2,0,0]=3 7945 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,1,0,0,0,0|1,0,0]=2 7946 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,1,0,0,0,0|1,0,0]=2 7947 B12R0.234 CC(C)CCCCSCC#CCO 62a_100011216152_200000047223 [0,1,0,0,0,0|1,0,2]=4 7948 B12R0.234 CC(C)CCCCSCC#CCO 62a_200000047223_100011216152 [0,1,0,0,0,0|1,0,2]=4 7949 B12R0.234 CC(C)CCCCSCCCC#N 62a_100000687738_100011216152 [0,1,0,0,0,0|2,0,1]=4 7950 B12R0.234 CC(C)CCCCSCCCC#N 62a_100011216152_100000687738 [0,1,0,0,0,0|2,0,1]=4 7951 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [0,1,0,0,0,0|1,0,2]=4 7952 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [0,1,0,0,0,0|1,0,2]=4 7953 B12R0.234 CC(C)CCCCSCCCCF 62a_100000729493_100011216152 [0,1,0,0,0,0|2,0,0]=3 7954 B12R0.234 CC(C)CCCCSCCCCF 62a_100011216152_100000729493 [0,1,0,0,0,0|2,0,0]=3 7955 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,1,0,0,0,0|1,0,0]=2 7956 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,1,0,0,0,0|1,0,0]=2 7957 B12R0.234 CC(C)CCCNCCCCC#N 2230a_200000737386_100000211819 [0,1,0,0,0,0|2,0,1]=4 7958 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [0,1,0,0,0,0|1,0,2]=4 7959 B12R0.234 CC(C)CCCNCCCCCF 2230a_200000737386_100000729378 [0,1,0,0,0,0|2,0,0]=3 7960 B12R0.234 CC(C)CCCNCCCCCF 34a_200000737386_100000729378 [0,1,0,0,0,0|2,0,0]=3 7961 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,1,0,0,0,0|1,0,0]=2 7962 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,1,0,0,0,0|1,0,0]=2 7963 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,1,0,0,0,0|1,0,0]=2 7964 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,1,0,0,0,0|1,0,0]=2 7965 B12R0.234 CC(C)CCCNCCOCCO 2230a_100000211614_100011214892 [0,1,0,0,0,0|2,0,0]=3 7966 B12R0.234 CC(C)CCCNCCOCCO 2230a_200000737386_100011215305 [0,1,0,0,0,0|2,0,0]=3 7967 B12R0.234 CC(C)CCCNCCOCCO 34a_100000211614_100011214892 [0,1,0,0,0,0|2,0,0]=3 7968 B12R0.234 CC(C)CCCNCCOCCO 34a_200000737386_100000692535 [0,1,0,0,0,0|2,0,0]=3 7969 B12R0.234 CC(C)CCCNCCSCCO 2230a_100011219999_100011214892 [0,1,0,0,0,0|2,0,0]=3 7970 B12R0.234 CC(C)CCCOCCCCC#N 7a_100000210774_100000211819 [0,1,0,0,0,0|2,0,1]=4 7971 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [0,1,0,0,0,0|1,0,2]=4 7972 B12R0.234 CC(C)CCCOCCCCCBr 34a_100000746331_100011214892 [0,1,0,0,0,0|2,0,0]=3 7973 B12R0.234 CC(C)CCCOCCCCCBr 7a_100000746331_100011214892 [0,1,0,0,0,0|2,0,0]=3 7974 B12R0.234 CC(C)CCCOCCCCCCl 34a_100000746330_100011214892 [0,1,0,0,0,0|2,0,0]=3 7975 B12R0.234 CC(C)CCCOCCCCCCl 7a_100000746330_100011214892 [0,1,0,0,0,0|2,0,0]=3 7976 B12R0.234 CC(C)CCCOCCCCCF 34a_100000210774_100000729378 [0,1,0,0,0,0|2,0,0]=3 7977 B12R0.234 CC(C)CCCOCCCCCF 7a_100000210774_100000729378 [0,1,0,0,0,0|2,0,0]=3 7978 B12R0.234 CC(C)CCCOCCCCCI 34a_200012148887_100011214892 [0,1,0,0,0,0|2,0,0]=3 7979 B12R0.234 CC(C)CCCOCCCCCI 7a_200012148887_100011214892 [0,1,0,0,0,0|2,0,0]=3 7980 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [0,1,0,0,0,0|2,0,0]=3 7981 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,1,0,0,0,0|1,0,0]=2 7982 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,1,0,0,0,0|1,0,0]=2 7983 B12R0.234 CC(C)CCCOCCOCCBr 34a_100000692535_100011214892 [0,1,0,0,0,0|3,0,0]=4 7984 B12R0.234 CC(C)CCCOCCOCCBr 7a_100000692535_100011214892 [0,1,0,0,0,0|3,0,0]=4 7985 B12R0.234 CC(C)CCCOCCOCCCl 34a_100011215305_100011214892 [0,1,0,0,0,0|3,0,0]=4 7986 B12R0.234 CC(C)CCCOCCOCCCl 7a_100011215305_100011214892 [0,1,0,0,0,0|3,0,0]=4 7987 B12R0.234 CC(C)CCCOCCOCCF 34a_200015357709_100011214892 [0,1,0,0,0,0|3,0,0]=4 7988 B12R0.234 CC(C)CCCOCCOCCF 7a_200015357709_100011214892 [0,1,0,0,0,0|3,0,0]=4 7989 B12R0.234 CC(C)CCCOCCOCCI 34a_100012149058_100011214892 [0,1,0,0,0,0|3,0,0]=4 7990 B12R0.234 CC(C)CCCOCCOCCI 7a_100012149058_100011214892 [0,1,0,0,0,0|3,0,0]=4 7991 B12R0.234 CC(C)CCCOCCOCCN 34a_100000211614_100011214892 [0,1,0,0,0,0|3,0,0]=4 7992 B12R0.234 CC(C)CCCOCCOCCO 34a_100000210774_100000692535 [0,1,0,0,0,0|2,0,0]=3 7993 B12R0.234 CC(C)CCCOCCOCCO 7a_100000210774_100011215305 [0,1,0,0,0,0|2,0,0]=3 7994 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011214892_100000211819 [0,1,0,0,0,0|2,0,1]=4 7995 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011219923_100011214892 [0,1,0,0,0,0|2,0,1]=4 7996 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [0,1,0,0,0,0|1,0,2]=4 7997 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [0,1,0,0,0,0|1,0,2]=4 7998 B12R0.234 CC(C)CCCSCCCCCF 62a_100000729378_100011214892 [0,1,0,0,0,0|2,0,0]=3 7999 B12R0.234 CC(C)CCCSCCCCCF 62a_100011214892_100000729378 [0,1,0,0,0,0|2,0,0]=3 8000 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,1,0,0,0,0|1,0,0]=2 8001 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,1,0,0,0,0|1,0,0]=2 8002 B12R0.234 CC(C)CCCSCCOCCO 62a_100011214892_100011215305 [0,1,0,0,0,0|2,0,0]=3 8003 B12R0.234 CC(C)CCCSCCOCCO 62a_100011215305_100011214892 [0,1,0,0,0,0|2,0,0]=3 8004 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,1,0,0,0,0|1,0,0]=2 8005 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,1,0,0,0,0|1,0,0]=2 8006 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,1,0,0,0,0|1,0,0]=2 8007 B12R0.234 CC(C)CCOCCCCCC#N 7a_100000210254_100009813376 [0,1,0,0,0,0|2,0,1]=4 8008 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [0,1,0,0,0,0|1,0,2]=4 8009 B12R0.234 CC(C)CCOCCCCCCBr 34a_100011215345_100000210312 [0,1,0,0,0,0|2,0,0]=3 8010 B12R0.234 CC(C)CCOCCCCCCBr 7a_100011215345_100000210626 [0,1,0,0,0,0|2,0,0]=3 8011 B12R0.234 CC(C)CCOCCCCCCCl 34a_100000766143_100000210312 [0,1,0,0,0,0|2,0,0]=3 8012 B12R0.234 CC(C)CCOCCCCCCCl 7a_100000766143_100000210626 [0,1,0,0,0,0|2,0,0]=3 8013 B12R0.234 CC(C)CCOCCCCCCF 34a_100000210254_100015922095 [0,1,0,0,0,0|2,0,0]=3 8014 B12R0.234 CC(C)CCOCCCCCCF 34a_100000732779_100000210312 [0,1,0,0,0,0|2,0,0]=3 8015 B12R0.234 CC(C)CCOCCCCCCF 7a_100000210254_100015922095 [0,1,0,0,0,0|2,0,0]=3 8016 B12R0.234 CC(C)CCOCCCCCCF 7a_100000732779_100000210626 [0,1,0,0,0,0|2,0,0]=3 8017 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [0,1,0,0,0,0|2,0,0]=3 8018 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,1,0,0,0,0|1,0,0]=2 8019 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,1,0,0,0,0|1,0,0]=2 8020 B12R0.234 CC(C)CCSCCCCCC#N 62a_100000210312_100009813376 [0,1,0,0,0,0|2,0,1]=4 8021 B12R0.234 CC(C)CCSCCCCCC#N 62a_100009813376_100000210312 [0,1,0,0,0,0|2,0,1]=4 8022 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [0,1,0,0,0,0|1,0,2]=4 8023 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [0,1,0,0,0,0|1,0,2]=4 8024 B12R0.234 CC(C)CCSCCCCCCF 62a_100000210312_100015922095 [0,1,0,0,0,0|2,0,0]=3 8025 B12R0.234 CC(C)CCSCCCCCCF 62a_100015922095_100000210312 [0,1,0,0,0,0|2,0,0]=3 8026 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,1,0,0,0,0|1,0,0]=2 8027 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,1,0,0,0,0|1,0,0]=2 8028 B12R0.234 CC(C)CNCCCCCCC#N 2230a_100000210953_100009813337 [0,1,0,0,0,0|2,0,1]=4 8029 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,1,0,0,0,0|1,0,0]=2 8030 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,1,0,0,0,0|1,0,0]=2 8031 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,1,0,0,0,0|1,0,0]=2 8032 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,1,0,0,0,0|1,0,0]=2 8033 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,1,0,0,0,0|1,0,0]=2 8034 B12R0.234 CC(C)CNCCCOCCCO 2230a_100011310245_100000210760 [0,1,0,0,0,0|2,0,0]=3 8035 B12R0.234 CC(C)CNCCCOCCCO 270004a_100011310245_100000210432 [0,1,0,0,0,0|2,0,0]=3 8036 B12R0.234 CC(C)CNCCCOCCCO 34a_100011310245_100000210624 [0,1,0,0,0,0|2,0,0]=3 8037 B12R0.234 CC(C)CNCCOCCCCF 34a_100015185251_100000729493 [0,1,0,0,0,0|3,0,0]=4 8038 B12R0.234 CC(C)CNCCOCCCCO 34a_100015185251_100011216708 [0,1,0,0,0,0|2,0,0]=3 8039 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,1,0,0,0,0|2,0,0]=3 8040 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,1,0,0,0,0|2,0,0]=3 8041 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,1,0,0,0,0|2,0,0]=3 8042 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,1,0,0,0,0|1,0,0]=2 8043 B12R0.234 CC(C)COCCCNCCCF 2230a_100000205972_100011934791 [0,1,0,0,0,0|3,0,0]=4 8044 B12R0.234 CC(C)COCCCNCCCF 34a_100000205972_100011934791 [0,1,0,0,0,0|3,0,0]=4 8045 B12R0.234 CC(C)COCCCNCCCO 2230a_100000205972_100000230001 [0,1,0,0,0,0|2,0,0]=3 8046 B12R0.234 CC(C)COCCCNCCCO 34a_100000205972_100000230001 [0,1,0,0,0,0|2,0,0]=3 8047 B12R0.234 CC(C)COCCCOCCCN 34a_100011310245_100000210624 [0,1,0,0,0,0|3,0,0]=4 8048 B12R0.234 CC(C)COCCOCCCCF 34a_100000703358_100000729493 [0,1,0,0,0,0|3,0,0]=4 8049 B12R0.234 CC(C)COCCOCCCCF 7a_100000703358_100000729493 [0,1,0,0,0,0|3,0,0]=4 8050 B12R0.234 CC(C)COCCOCCCCO 34a_100000703358_100011216708 [0,1,0,0,0,0|2,0,0]=3 8051 B12R0.234 CC(C)COCCOCCCCO 7a_100000703358_100000210776 [0,1,0,0,0,0|2,0,0]=3 8052 B12R0.234 CC(C)CSCCCCCCC#N 62a_100000210624_100009813337 [0,1,0,0,0,0|2,0,1]=4 8053 B12R0.234 CC(C)CSCCCCCCC#N 62a_100009813337_100000210760 [0,1,0,0,0,0|2,0,1]=4 8054 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,1,0,0,0,0|1,0,0]=2 8055 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,1,0,0,0,0|1,0,0]=2 8056 B12R0.234 CC(C)CSCCOCCCCF 34a_200000230437_100000729493 [0,1,0,0,0,0|3,0,0]=4 8057 B12R0.234 CC(C)CSCCOCCCCF 7a_200000230437_100000729493 [0,1,0,0,0,0|3,0,0]=4 8058 B12R0.234 CC(C)CSCCOCCCCO 34a_200000230437_100011216708 [0,1,0,0,0,0|2,0,0]=3 8059 B12R0.234 CC(C)CSCCOCCCCO 7a_200000230437_100000210776 [0,1,0,0,0,0|2,0,0]=3 8060 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,1,0,0,0,0|1,0,0]=2 8061 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,1,0,0,0,0|1,0,0]=2 8062 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,1,0,0,0,0|1,0,0]=2 8063 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,1,0,0,0,0|1,0,0]=2 8064 B12R0.234 CC(C)NCCCCCOCCF 34a_100011629493_100011217306 [0,1,0,0,0,0|3,0,0]=4 8065 B12R0.234 CC(C)NCCCCCOCCO 34a_100011629493_100000211926 [0,1,0,0,0,0|2,0,0]=3 8066 B12R0.234 CC(C)NCCCCOCCCF 34a_100011521146_100011934791 [0,1,0,0,0,0|3,0,0]=4 8067 B12R0.234 CC(C)NCCCCOCCCO 34a_100011521146_100000230001 [0,1,0,0,0,0|2,0,0]=3 8068 B12R0.234 CC(C)NCCCOCCCCF 34a_100000182298_100000729493 [0,1,0,0,0,0|3,0,0]=4 8069 B12R0.234 CC(C)NCCCOCCCCO 34a_100000182298_100011216708 [0,1,0,0,0,0|2,0,0]=3 8070 B12R0.234 CC(C)NCCOCCCCCF 34a_100000224655_100000729378 [0,1,0,0,0,0|3,0,0]=4 8071 B12R0.234 CC(C)NCCOCCCCCO 34a_100000224655_100000746330 [0,1,0,0,0,0|2,0,0]=3 8072 B12R0.234 CC(C)NCCOCCOCCO 2230a_100011998139_100000210206 [0,1,0,0,0,0|3,0,0]=4 8073 B12R0.234 CC(C)NCCOCCOCCO 2230a_100138425928_100000032323 [0,1,0,0,0,0|3,0,0]=4 8074 B12R0.234 CC(C)NCCOCCOCCO 34a_100000224655_100000692535 [0,1,0,0,0,0|3,0,0]=4 8075 B12R0.234 CC(C)NCCOCCOCCO 34a_100011998139_100000210206 [0,1,0,0,0,0|3,0,0]=4 8076 B12R0.234 CC(C)NCCOCCOCCO 34a_100138425928_100000032323 [0,1,0,0,0,0|3,0,0]=4 8077 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,1,0,0,0,0|2,0,0]=3 8078 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,1,0,0,0,0|2,0,0]=3 8079 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,1,0,0,0,0|2,0,0]=3 8080 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,1,0,0,0,0|2,0,0]=3 8081 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,1,0,0,0,0|2,0,0]=3 8082 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,1,0,0,0,0|1,0,0]=2 8083 B12R0.234 CC(C)OCCCCCNCCN 34a_103619048469_100000210206 [0,1,0,0,0,0|3,0,0]=4 8084 B12R0.234 CC(C)OCCCNCCCCF 2230a_100000737246_100000729493 [0,1,0,0,0,0|3,0,0]=4 8085 B12R0.234 CC(C)OCCCNCCCCF 34a_100000737246_100000729493 [0,1,0,0,0,0|3,0,0]=4 8086 B12R0.234 CC(C)OCCCNCCCCO 2230a_100000737246_100000210776 [0,1,0,0,0,0|2,0,0]=3 8087 B12R0.234 CC(C)OCCCNCCCCO 34a_100000737246_100011216708 [0,1,0,0,0,0|2,0,0]=3 8088 B12R0.234 CC(C)OCCNCCCCCF 2230a_100000701111_100000729378 [0,1,0,0,0,0|3,0,0]=4 8089 B12R0.234 CC(C)OCCNCCCCCF 34a_100000701111_100000729378 [0,1,0,0,0,0|3,0,0]=4 8090 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000701111_100000746330 [0,1,0,0,0,0|2,0,0]=3 8091 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000762737_100000211751 [0,1,0,0,0,0|2,0,0]=3 8092 B12R0.234 CC(C)OCCNCCCCCO 34a_100000701111_100000746330 [0,1,0,0,0,0|2,0,0]=3 8093 B12R0.234 CC(C)OCCNCCCCCO 34a_100000762737_100000211751 [0,1,0,0,0,0|2,0,0]=3 8094 B12R0.234 CC(C)OCCNCCOCCO 2230a_100000211614_100000211751 [0,1,0,0,0,0|3,0,0]=4 8095 B12R0.234 CC(C)OCCNCCOCCO 2230a_100000701111_100011215305 [0,1,0,0,0,0|3,0,0]=4 8096 B12R0.234 CC(C)OCCNCCOCCO 34a_100000211614_100000211751 [0,1,0,0,0,0|3,0,0]=4 8097 B12R0.234 CC(C)OCCNCCOCCO 34a_100000701111_100000692535 [0,1,0,0,0,0|3,0,0]=4 8098 B12R0.234 CC(C)OCCNCCSCCO 2230a_100011219999_100000211751 [0,1,0,0,0,0|3,0,0]=4 8099 B12R0.234 CC(C)OCCOCCCCCBr 34a_100000746331_100000211751 [0,1,0,0,0,0|3,0,0]=4 8100 B12R0.234 CC(C)OCCOCCCCCBr 7a_100000746331_100000211751 [0,1,0,0,0,0|3,0,0]=4 8101 B12R0.234 CC(C)OCCOCCCCCCl 34a_100000746330_100000211751 [0,1,0,0,0,0|3,0,0]=4 8102 B12R0.234 CC(C)OCCOCCCCCCl 7a_100000746330_100000211751 [0,1,0,0,0,0|3,0,0]=4 8103 B12R0.234 CC(C)OCCOCCCCCF 34a_100000211219_100000729378 [0,1,0,0,0,0|3,0,0]=4 8104 B12R0.234 CC(C)OCCOCCCCCF 7a_100000211219_100000729378 [0,1,0,0,0,0|3,0,0]=4 8105 B12R0.234 CC(C)OCCOCCCCCI 34a_200012148887_100000211751 [0,1,0,0,0,0|3,0,0]=4 8106 B12R0.234 CC(C)OCCOCCCCCI 7a_200012148887_100000211751 [0,1,0,0,0,0|3,0,0]=4 8107 B12R0.234 CC(C)OCCOCCCCCN 34a_100000762737_100000211751 [0,1,0,0,0,0|3,0,0]=4 8108 B12R0.234 CC(C)OCCOCCCCCO 34a_100000211219_100000746330 [0,1,0,0,0,0|2,0,0]=3 8109 B12R0.234 CC(C)OCCOCCCCCO 7a_100000211219_100000746330 [0,1,0,0,0,0|2,0,0]=3 8110 B12R0.234 CC(C)OCCOCCOCCO 34a_100000211219_100000692535 [0,1,0,0,0,0|3,0,0]=4 8111 B12R0.234 CC(C)OCCOCCOCCO 34a_100000212225_100000032323 [0,1,0,0,0,0|3,0,0]=4 8112 B12R0.234 CC(C)OCCOCCOCCO 7a_100000211219_100011215305 [0,1,0,0,0,0|3,0,0]=4 8113 B12R0.234 CC(C)OCCSCCCCCF 62a_100000211751_100000729378 [0,1,0,0,0,0|3,0,0]=4 8114 B12R0.234 CC(C)OCCSCCCCCF 62a_100000729378_100000211751 [0,1,0,0,0,0|3,0,0]=4 8115 B12R0.234 CC(C)OCCSCCCCCO 62a_100000211751_100000746330 [0,1,0,0,0,0|2,0,0]=3 8116 B12R0.234 CC(C)OCCSCCCCCO 62a_100000746330_100000211751 [0,1,0,0,0,0|2,0,0]=3 8117 B12R0.234 CC(C)OCCSCCOCCO 62a_100000211751_100011215305 [0,1,0,0,0,0|3,0,0]=4 8118 B12R0.234 CC(C)OCCSCCOCCO 62a_100011215305_100000211751 [0,1,0,0,0,0|3,0,0]=4 8119 B12R0.234 CC(C)OCNCCCCCCO 2230a_100000686447_100000709892 [0,1,0,0,0,0|2,0,0]=3 8120 B12R0.234 CC(C)OCNCCCCCCO 34a_100000686447_100000709892 [0,1,0,0,0,0|2,0,0]=3 8121 B12R0.234 CC(C)OCOCCCCCCBr 34a_100011215345_100000709892 [0,1,0,0,0,0|3,0,0]=4 8122 B12R0.234 CC(C)OCOCCCCCCCl 34a_100000766143_100000709892 [0,1,0,0,0,0|3,0,0]=4 8123 B12R0.234 CC(C)OCOCCCCCCF 34a_100000732779_100000709892 [0,1,0,0,0,0|3,0,0]=4 8124 B12R0.234 CC(C)OCOCCCCCCN 34a_100000686447_100000709892 [0,1,0,0,0,0|3,0,0]=4 8125 B12R0.234 CC(C)OCSCCCCCCF 62a_100000709892_100015922095 [0,1,0,0,0,0|3,0,0]=4 8126 B12R0.234 CC(C)OCSCCCCCCF 62a_100015922095_100000709892 [0,1,0,0,0,0|3,0,0]=4 8127 B12R0.234 CC(C)OCSCCCCCCO 62a_100000709892_100000766143 [0,1,0,0,0,0|2,0,0]=3 8128 B12R0.234 CC(C)OCSCCCCCCO 62a_100000766143_100000709892 [0,1,0,0,0,0|2,0,0]=3 8129 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,1,0,0,0,0|1,0,0]=2 8130 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,1,0,0,0,0|1,0,0]=2 8131 B12R0.234 CC(C)SCCNCCCCCF 2230a_100000731138_100000729378 [0,1,0,0,0,0|3,0,0]=4 8132 B12R0.234 CC(C)SCCNCCCCCF 34a_100000731138_100000729378 [0,1,0,0,0,0|3,0,0]=4 8133 B12R0.234 CC(C)SCCNCCCCCO 2230a_100000731138_100000746330 [0,1,0,0,0,0|2,0,0]=3 8134 B12R0.234 CC(C)SCCNCCCCCO 2230a_100000762737_100000730970 [0,1,0,0,0,0|2,0,0]=3 8135 B12R0.234 CC(C)SCCNCCCCCO 34a_100000731138_100000746330 [0,1,0,0,0,0|2,0,0]=3 8136 B12R0.234 CC(C)SCCNCCCCCO 34a_100000762737_100000730970 [0,1,0,0,0,0|2,0,0]=3 8137 B12R0.234 CC(C)SCCNCCOCCO 2230a_100000211614_100000730970 [0,1,0,0,0,0|3,0,0]=4 8138 B12R0.234 CC(C)SCCNCCOCCO 2230a_100000731138_100011215305 [0,1,0,0,0,0|3,0,0]=4 8139 B12R0.234 CC(C)SCCNCCOCCO 34a_100000211614_100000730970 [0,1,0,0,0,0|3,0,0]=4 8140 B12R0.234 CC(C)SCCNCCOCCO 34a_100000731138_100000692535 [0,1,0,0,0,0|3,0,0]=4 8141 B12R0.234 CC(C)SCCNCCSCCO 2230a_100011219999_100000730970 [0,1,0,0,0,0|3,0,0]=4 8142 B12R0.234 CC(C)SCCOCCCCCBr 34a_100000746331_100000730970 [0,1,0,0,0,0|3,0,0]=4 8143 B12R0.234 CC(C)SCCOCCCCCBr 7a_100000746331_100000730970 [0,1,0,0,0,0|3,0,0]=4 8144 B12R0.234 CC(C)SCCOCCCCCCl 34a_100000746330_100000730970 [0,1,0,0,0,0|3,0,0]=4 8145 B12R0.234 CC(C)SCCOCCCCCCl 7a_100000746330_100000730970 [0,1,0,0,0,0|3,0,0]=4 8146 B12R0.234 CC(C)SCCOCCCCCF 34a_200011212901_100000729378 [0,1,0,0,0,0|3,0,0]=4 8147 B12R0.234 CC(C)SCCOCCCCCF 7a_200011212901_100000729378 [0,1,0,0,0,0|3,0,0]=4 8148 B12R0.234 CC(C)SCCOCCCCCI 34a_200012148887_100000730970 [0,1,0,0,0,0|3,0,0]=4 8149 B12R0.234 CC(C)SCCOCCCCCI 7a_200012148887_100000730970 [0,1,0,0,0,0|3,0,0]=4 8150 B12R0.234 CC(C)SCCOCCCCCN 34a_100000762737_100000730970 [0,1,0,0,0,0|3,0,0]=4 8151 B12R0.234 CC(C)SCCOCCCCCO 34a_200011212901_100000746330 [0,1,0,0,0,0|2,0,0]=3 8152 B12R0.234 CC(C)SCCOCCCCCO 7a_200011212901_100000746330 [0,1,0,0,0,0|2,0,0]=3 8153 B12R0.234 CC(C)SCCOCCOCCO 34a_200011212901_100000692535 [0,1,0,0,0,0|3,0,0]=4 8154 B12R0.234 CC(C)SCCOCCOCCO 62a_100000032323_100000210206 [0,1,0,0,0,0|3,0,0]=4 8155 B12R0.234 CC(C)SCCOCCOCCO 62a_100000210206_100000032323 [0,1,0,0,0,0|3,0,0]=4 8156 B12R0.234 CC(C)SCCOCCOCCO 7a_200011212901_100011215305 [0,1,0,0,0,0|3,0,0]=4 8157 B12R0.234 CC(C)SCCSCCCCCF 62a_100000729378_100000730970 [0,1,0,0,0,0|3,0,0]=4 8158 B12R0.234 CC(C)SCCSCCCCCF 62a_100000730970_100000729378 [0,1,0,0,0,0|3,0,0]=4 8159 B12R0.234 CC(C)SCCSCCCCCO 62a_100000730970_100000746330 [0,1,0,0,0,0|2,0,0]=3 8160 B12R0.234 CC(C)SCCSCCCCCO 62a_100000746330_100000730970 [0,1,0,0,0,0|2,0,0]=3 8161 B12R0.234 CC(C)SCCSCCOCCO 62a_100000730970_100011215305 [0,1,0,0,0,0|3,0,0]=4 8162 B12R0.234 CC(C)SCCSCCOCCO 62a_100011215305_100000730970 [0,1,0,0,0,0|3,0,0]=4 8163 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,1,0,0,0,0|1,0,0]=2 8164 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,1,0,0,0,0|1,0,0]=2 8165 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,1,0,0,0,0|1,0,0]=2 8166 B12R0.234 CC(O)CCCNCCOCCO 2230a_100000211614_200000718107 [0,1,0,0,0,0|2,0,0]=3 8167 B12R0.234 CC(O)CCCNCCOCCO 34a_100000211614_200000718107 [0,1,0,0,0,0|2,0,0]=3 8168 B12R0.234 CC(O)CCCNCCSCCO 2230a_100011219999_200000718107 [0,1,0,0,0,0|2,0,0]=3 8169 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,1,0,0,0,0|2,0,0]=3 8170 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,1,0,0,0,0|2,0,0]=3 8171 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,1,0,0,0,0|2,0,0]=3 8172 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,1,0,0,0,0|2,0,0]=3 8173 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,1,0,0,0,0|2,0,0]=3 8174 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,1,0,0,0,0|2,0,0]=3 8175 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,1,0,0,0,0|2,0,0]=3 8176 B12R0.234 CC(O)CCCOCCOCCBr 34a_100000692535_200000718107 [0,1,0,0,0,0|3,0,0]=4 8177 B12R0.234 CC(O)CCCOCCOCCBr 7a_100000692535_200000718107 [0,1,0,0,0,0|3,0,0]=4 8178 B12R0.234 CC(O)CCCOCCOCCCl 34a_100011215305_200000718107 [0,1,0,0,0,0|3,0,0]=4 8179 B12R0.234 CC(O)CCCOCCOCCCl 7a_100011215305_200000718107 [0,1,0,0,0,0|3,0,0]=4 8180 B12R0.234 CC(O)CCCOCCOCCF 34a_200015357709_200000718107 [0,1,0,0,0,0|3,0,0]=4 8181 B12R0.234 CC(O)CCCOCCOCCF 7a_200015357709_200000718107 [0,1,0,0,0,0|3,0,0]=4 8182 B12R0.234 CC(O)CCCOCCOCCI 34a_100012149058_200000718107 [0,1,0,0,0,0|3,0,0]=4 8183 B12R0.234 CC(O)CCCOCCOCCI 7a_100012149058_200000718107 [0,1,0,0,0,0|3,0,0]=4 8184 B12R0.234 CC(O)CCCOCCOCCN 34a_100000211614_200000718107 [0,1,0,0,0,0|3,0,0]=4 8185 B12R0.234 CC(O)CCCSCCCCC#N 62a_100011219923_200000718107 [0,1,0,0,0,0|2,0,1]=4 8186 B12R0.234 CC(O)CCCSCCCCC#N 62a_200000718107_100000211819 [0,1,0,0,0,0|2,0,1]=4 8187 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,1,0,0,0,0|1,0,2]=4 8188 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,1,0,0,0,0|1,0,2]=4 8189 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,1,0,0,0,0|2,0,0]=3 8190 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,1,0,0,0,0|2,0,0]=3 8191 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,1,0,0,0,0|1,0,0]=2 8192 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,1,0,0,0,0|1,0,0]=2 8193 B12R0.234 CC(O)CCCSCCOCCO 62a_100011215305_200000718107 [0,1,0,0,0,0|2,0,0]=3 8194 B12R0.234 CC(O)CCCSCCOCCO 62a_200000718107_100011215305 [0,1,0,0,0,0|2,0,0]=3 8195 B12R0.234 CC(O)CCNCCCCCC#N 2230a_200000755665_100009813376 [0,1,0,0,0,0|2,0,1]=4 8196 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,1,0,0,0,0|1,0,2]=4 8197 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,1,0,0,0,0|2,0,0]=3 8198 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,1,0,0,0,0|1,0,0]=2 8199 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,1,0,0,0,0|1,0,0]=2 8200 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,1,0,0,0,0|1,0,0]=2 8201 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,1,0,0,0,0|2,0,0]=3 8202 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,1,0,0,0,0|2,0,0]=3 8203 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,1,0,0,0,0|2,0,0]=3 8204 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,1,0,0,0,0|2,0,0]=3 8205 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,1,0,0,0,0|2,0,0]=3 8206 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,1,0,0,0,0|2,0,0]=3 8207 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,1,0,0,0,0|2,0,0]=3 8208 B12R0.234 CC(O)CCSCCCCCC#N 62a_100009813376_100012276601 [0,1,0,0,0,0|2,0,1]=4 8209 B12R0.234 CC(O)CCSCCCCCC#N 62a_100012276601_100009813376 [0,1,0,0,0,0|2,0,1]=4 8210 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,1,0,0,0,0|1,0,2]=4 8211 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,1,0,0,0,0|1,0,2]=4 8212 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,1,0,0,0,0|2,0,0]=3 8213 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,1,0,0,0,0|2,0,0]=3 8214 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,1,0,0,0,0|1,0,0]=2 8215 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,1,0,0,0,0|1,0,0]=2 8216 B12R0.234 CC(O)CNCCCCCCC#N 2230a_100000210904_100009813337 [0,1,0,0,0,0|2,0,1]=4 8217 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,1,0,0,0,0|1,0,0]=2 8218 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,1,0,0,0,0|1,0,0]=2 8219 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|1,0,0]=2 8220 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,1,0,0,0,0|1,0,0]=2 8221 B12R0.234 CC(O)CNCCCOCCCO 2230a_100011310245_100011218427 [0,1,0,0,0,0|2,0,0]=3 8222 B12R0.234 CC(O)CNCCCOCCCO 34a_100011310245_100011218427 [0,1,0,0,0,0|2,0,0]=3 8223 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,1,0,0,0,0|2,0,0]=3 8224 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,1,0,0,0,0|2,0,0]=3 8225 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,1,0,0,0,0|2,0,0]=3 8226 B12R0.234 CC(O)COCCCOCCCN 34a_100011310245_100011218427 [0,1,0,0,0,0|3,0,0]=4 8227 B12R0.234 CC(O)CSCCCCCCC#N 62a_100009813337_100011218427 [0,1,0,0,0,0|2,0,1]=4 8228 B12R0.234 CC(O)CSCCCCCCC#N 62a_100011218427_100009813337 [0,1,0,0,0,0|2,0,1]=4 8229 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,1,0,0,0,0|1,0,0]=2 8230 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,1,0,0,0,0|1,0,0]=2 8231 B12R0.234 CC/C=C/CCCOCCC(C)O 34a_100016287902_100012276601 [0,1,0,0,0,0|1,0,2]=4 8232 B12R0.234 CC/C=C/CCCOCCC(C)O 7a_100016287902_100012276601 [0,1,0,0,0,0|1,0,2]=4 8233 B12R0.234 CC/C=C\CCCCOCC(C)O 34a_100016287862_100011218427 [0,1,0,0,0,0|1,0,2]=4 8234 B12R0.234 CC/C=C\CCCCOCC(C)O 7a_100016287862_100011218427 [0,1,0,0,0,0|1,0,2]=4 8235 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 34a_100016287862_100009817552 [0,1,0,0,0,0|1,0,2]=4 8236 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 7a_100016287862_100009817552 [0,1,0,0,0,0|1,0,2]=4 8237 B12R0.234 CC/C=C\CCOCCCC(C)O 34a_100016288707_200000718107 [0,1,0,0,0,0|1,0,2]=4 8238 B12R0.234 CC/C=C\CCOCCCC(C)O 7a_100016288707_200000718107 [0,1,0,0,0,0|1,0,2]=4 8239 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_100015370543_200000718107 [0,1,0,0,0,0|1,0,2]=4 8240 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_200000718107_100015370543 [0,1,0,0,0,0|1,0,2]=4 8241 B12R0.234 CC=CCCCOCCCC(C)O 34a_100020645299_200000718107 [0,1,0,0,0,0|1,0,2]=4 8242 B12R0.234 CCC#CCCOCCCC(C)O 34a_100000036655_200000718107 [0,1,0,0,0,0|1,0,2]=4 8243 B12R0.234 CCC#CCCOCCCC(C)O 7a_100000036655_200000718107 [0,1,0,0,0,0|1,0,2]=4 8244 B12R0.234 CCC/C=C/COCCCC(C)O 34a_100016278788_200000718107 [0,1,0,0,0,0|1,0,2]=4 8245 B12R0.234 CCC/C=C/COCCCC(C)O 7a_100016278788_200000718107 [0,1,0,0,0,0|1,0,2]=4 8246 B12R0.234 CCCC#CCCOCCC(C)O 34a_100000042726_100012276601 [0,1,0,0,0,0|1,0,2]=4 8247 B12R0.234 CCCC#CCCOCCC(C)O 7a_100000042726_100012276601 [0,1,0,0,0,0|1,0,2]=4 8248 B12R0.234 CCCC#CCOCCCC(C)O 34a_100000034806_200000718107 [0,1,0,0,0,0|1,0,2]=4 8249 B12R0.234 CCCC#CCOCCCC(C)O 7a_100000034806_200000718107 [0,1,0,0,0,0|1,0,2]=4 8250 B12R0.234 CCCC/C=C/COCCC(C)O 34a_200016272032_100012276601 [0,1,0,0,0,0|1,0,2]=4 8251 B12R0.234 CCCC/C=C/COCCC(C)O 7a_200016272032_100012276601 [0,1,0,0,0,0|1,0,2]=4 8252 B12R0.234 CCCC/C=C\CCOCC(C)O 34a_200016286491_100011218427 [0,1,0,0,0,0|1,0,2]=4 8253 B12R0.234 CCCC/C=C\CCOCC(C)O 7a_200016286491_100011218427 [0,1,0,0,0,0|1,0,2]=4 8254 B12R0.234 CCCC/C=C\CCOC[C@@H](C)O 34a_200016286491_100009817552 [0,1,0,0,0,0|1,0,2]=4 8255 B12R0.234 CCCC/C=C\CCOC[C@@H](C)O 7a_200016286491_100009817552 [0,1,0,0,0,0|1,0,2]=4 8256 B12R0.234 CCCCC#CCCOCC(C)O 34a_100000037610_100011218427 [0,1,0,0,0,0|1,0,2]=4 8257 B12R0.234 CCCCC#CCCOCC(C)O 7a_100000037610_100011218427 [0,1,0,0,0,0|1,0,2]=4 8258 B12R0.234 CCCCC#CCCOC[C@@H](C)O 34a_100000037610_100009817552 [0,1,0,0,0,0|1,0,2]=4 8259 B12R0.234 CCCCC#CCCOC[C@@H](C)O 7a_100000037610_100009817552 [0,1,0,0,0,0|1,0,2]=4 8260 B12R0.234 CCCCC#CCOCCC(C)O 34a_200000034558_100012276601 [0,1,0,0,0,0|1,0,2]=4 8261 B12R0.234 CCCCC#CCOCCC(C)O 7a_200000034558_100012276601 [0,1,0,0,0,0|1,0,2]=4 8262 B12R0.234 CCCCC/C=C/COCC(C)O 34a_100016258190_100011218427 [0,1,0,0,0,0|1,0,2]=4 8263 B12R0.234 CCCCC/C=C/COCC(C)O 7a_100016258190_100011218427 [0,1,0,0,0,0|1,0,2]=4 8264 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 34a_100016258190_100009817552 [0,1,0,0,0,0|1,0,2]=4 8265 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 7a_100016258190_100009817552 [0,1,0,0,0,0|1,0,2]=4 8266 B12R0.234 CCCCCC#CCNCC(C)O 2230a_100000210904_100009816472 [0,1,0,0,0,0|1,0,2]=4 8267 B12R0.234 CCCCCC#CCNCC(C)O 34a_100000210904_100009816472 [0,1,0,0,0,0|1,0,2]=4 8268 B12R0.234 CCCCCC#CCOCC(C)O 34a_200000033628_100011218427 [0,1,0,0,0,0|1,0,2]=4 8269 B12R0.234 CCCCCC#CCOCC(C)O 7a_200000033628_100011218427 [0,1,0,0,0,0|1,0,2]=4 8270 B12R0.234 CCCCCC#CCOC[C@@H](C)O 34a_200000033628_100009817552 [0,1,0,0,0,0|1,0,2]=4 8271 B12R0.234 CCCCCC#CCOC[C@@H](C)O 7a_200000033628_100009817552 [0,1,0,0,0,0|1,0,2]=4 8272 B12R0.234 CCCCCC#CCSCC(C)O 62a_100009816472_100011218427 [0,1,0,0,0,0|1,0,2]=4 8273 B12R0.234 CCCCCC#CCSCC(C)O 62a_100011218427_100009816472 [0,1,0,0,0,0|1,0,2]=4 8274 B12R0.234 CCCCCC#CCSC[C@@H](C)O 62a_100009816472_100009817552 [0,1,0,0,0,0|1,0,2]=4 8275 B12R0.234 CCCCCC#CCSC[C@@H](C)O 62a_100009817552_100009816472 [0,1,0,0,0,0|1,0,2]=4 8276 B12R0.234 CCCCCCC=NNCC(C)O 4a_200000730056_100000234349 [0,1,0,0,0,0|2,0,1]=4 8277 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|0,0,2]=3 8278 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|0,0,2]=3 8279 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|0,0,2]=3 8280 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,1,0,0,0,0|2,0,0]=3 8281 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,1,0,0,0,0|2,0,0]=3 8282 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,1,0,0,0,0|2,0,0]=3 8283 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,1,0,0,0,0|2,0,0]=3 8284 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,1,0,0,0,0|2,0,0]=3 8285 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,1,0,0,0,0|2,0,0]=3 8286 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 8287 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 8288 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 8289 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,2]=4 8290 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,1,0,0,0,0|2,0,0]=3 8291 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,1,0,0,0,0|2,0,0]=3 8292 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,1,0,0,0,0|2,0,0]=3 8293 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,1,0,0,0,0|2,0,0]=3 8294 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,1,0,0,0,0|2,0,0]=3 8295 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,1,0,0,0,0|2,0,0]=3 8296 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,1,0,0,0,0|2,0,0]=3 8297 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,1,0,0,0,0|2,0,0]=3 8298 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,2]=4 8299 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,2]=4 8300 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,2]=4 8301 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|1,0,1]=3 8302 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|1,0,2]=4 8303 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,1,0,0,0,0|2,0,0]=3 8304 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,1,0,0,0,0|2,0,0]=3 8305 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,1,0,0,0,0|2,0,0]=3 8306 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,1,0,0,0,0|2,0,0]=3 8307 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,1,0,0,0,0|2,0,0]=3 8308 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,0,0,0,0|1,0,0]=2 8309 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,0,0,0,0|1,0,0]=2 8310 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,0,0,0,0|1,0,0]=2 8311 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,0,0,0,0|1,0,0]=2 8312 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,1,0,0,0,0|2,0,0]=3 8313 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,1,0,0,0,0|2,0,0]=3 8314 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,1,0,0,0,0|2,0,0]=3 8315 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,0,0,0,0|1,0,0]=2 8316 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,0,0,0,0|1,0,0]=2 8317 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,1,0,0,0,0|2,0,1]=4 8318 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|1,0,2]=4 8319 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|1,0,2]=4 8320 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 8321 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 8322 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|1,0,2]=4 8323 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|1,0,2]=4 8324 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,1,0,0,0,0|2,0,0]=3 8325 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,1,0,0,0,0|2,0,0]=3 8326 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,1,0,0,0,0|2,0,0]=3 8327 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,1,0,0,0,0|2,0,0]=3 8328 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,1,0,0,0,0|2,0,0]=3 8329 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,0,0,0,0|1,0,0]=2 8330 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,0,0,0,0|1,0,0]=2 8331 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,1,0,0,0,0|2,0,0]=3 8332 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,1,0,0,0,0|2,0,0]=3 8333 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,1,0,0,0,0|2,0,0]=3 8334 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,1,0,0,0,0|2,0,0]=3 8335 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,1,0,0,0,0|2,0,0]=3 8336 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,0,0,0,0|1,0,0]=2 8337 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,0,0,0,0|1,0,0]=2 8338 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,1,0,0,0,0|2,0,1]=4 8339 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,2]=4 8340 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,2]=4 8341 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|1,0,2]=4 8342 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|1,0,2]=4 8343 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,1,0,0,0,0|2,0,0]=3 8344 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,1,0,0,0,0|2,0,0]=3 8345 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,0,0,0,0|1,0,0]=2 8346 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,0,0,0,0|1,0,0]=2 8347 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,1,0,0,0,0|2,0,0]=3 8348 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,1,0,0,0,0|2,0,0]=3 8349 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,0,0,0,0|1,0,0]=2 8350 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,0,0,0,0|1,0,0]=2 8351 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,1,0,0,0,0|2,0,1]=4 8352 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,2]=4 8353 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,1,0,0,0,0|2,0,0]=3 8354 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,1,0,0,0,0|2,0,0]=3 8355 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,0,0,0,0|1,0,0]=2 8356 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,0,0,0,0|1,0,0]=2 8357 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [0,1,0,0,0,0|3,0,0]=4 8358 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|2,0,1]=4 8359 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 8360 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,2]=4 8361 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 8362 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,2]=4 8363 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 8364 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,2]=4 8365 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 8366 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,1,0,0,0,0|2,0,0]=3 8367 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,1,0,0,0,0|2,0,0]=3 8368 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,1,0,0,0,0|2,0,0]=3 8369 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,1,0,0,0,0|2,0,0]=3 8370 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,1,0,0,0,0|2,0,0]=3 8371 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|1,0,0]=2 8372 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|1,0,0]=2 8373 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,1,0,0,0,0|2,0,0]=3 8374 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,1,0,0,0,0|3,0,0]=4 8375 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,1,0,0,0,0|2,0,0]=3 8376 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [0,1,0,0,0,0|3,0,0]=4 8377 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,2]=4 8378 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,2]=4 8379 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,2]=4 8380 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,2]=4 8381 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,1,0,0,0,0|2,0,0]=3 8382 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,1,0,0,0,0|2,0,0]=3 8383 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,0,0,0,0|1,0,0]=2 8384 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,0,0,0,0|1,0,0]=2 8385 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,1,0,0,0,0|3,0,0]=4 8386 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [0,1,0,0,0,0|3,0,0]=4 8387 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [0,1,0,0,0,0|3,0,0]=4 8388 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,2]=4 8389 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,1,0,0,0,0|2,0,0]=3 8390 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,1,0,0,0,0|2,0,0]=3 8391 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,1,0,0,0,0|2,0,0]=3 8392 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,0,0,0,0|1,0,0]=2 8393 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,1,0,0,0,0|2,0,1]=4 8394 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [0,1,0,0,0,0|3,0,0]=4 8395 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [0,1,0,0,0,0|3,0,0]=4 8396 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [0,1,0,0,0,0|3,0,0]=4 8397 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000210581_100000730970 [0,1,0,0,0,0|3,0,0]=4 8398 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000731138_100000210314 [0,1,0,0,0,0|3,0,0]=4 8399 B12R0.234 CCCCCCNCCSC(C)C 34a_100000731138_100000210314 [0,1,0,0,0,0|3,0,0]=4 8400 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,2]=4 8401 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 8402 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,2]=4 8403 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 8404 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 8405 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 8406 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,1,0,0,0,0|2,0,0]=3 8407 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,1,0,0,0,0|2,0,0]=3 8408 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,1,0,0,0,0|2,0,0]=3 8409 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,1,0,0,0,0|2,0,0]=3 8410 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,0,0,0,0|1,0,0]=2 8411 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,0,0,0,0|1,0,0]=2 8412 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,1,0,0,0,0|3,0,0]=4 8413 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,1,0,0,0,0|2,0,1]=4 8414 B12R0.234 CCCCCCOCCNC(C)C 34a_100000224655_100000210314 [0,1,0,0,0,0|3,0,0]=4 8415 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [0,1,0,0,0,0|3,0,0]=4 8416 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [0,1,0,0,0,0|3,0,0]=4 8417 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [0,1,0,0,0,0|3,0,0]=4 8418 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [0,1,0,0,0,0|3,0,0]=4 8419 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [0,1,0,0,0,0|3,0,0]=4 8420 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [0,1,0,0,0,0|3,0,0]=4 8421 B12R0.234 CCCCCCOCCSC(C)C 34a_100000210259_100000730970 [0,1,0,0,0,0|3,0,0]=4 8422 B12R0.234 CCCCCCOCCSC(C)C 34a_200011212901_100000210314 [0,1,0,0,0,0|3,0,0]=4 8423 B12R0.234 CCCCCCOCCSC(C)C 7a_100000210259_100000730970 [0,1,0,0,0,0|3,0,0]=4 8424 B12R0.234 CCCCCCOCCSC(C)C 7a_200011212901_100000210314 [0,1,0,0,0,0|3,0,0]=4 8425 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,2]=4 8426 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,2]=4 8427 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,2]=4 8428 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,2]=4 8429 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,1,0,0,0,0|2,0,0]=3 8430 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,1,0,0,0,0|2,0,0]=3 8431 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,0,0,0,0|1,0,0]=2 8432 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,0,0,0,0|1,0,0]=2 8433 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,1,0,0,0,0|3,0,0]=4 8434 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [0,1,0,0,0,0|3,0,0]=4 8435 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [0,1,0,0,0,0|3,0,0]=4 8436 B12R0.234 CCCCCCSCCSC(C)C 62a_100000210314_100000730970 [0,1,0,0,0,0|3,0,0]=4 8437 B12R0.234 CCCCCCSCCSC(C)C 62a_100000730970_100000210757 [0,1,0,0,0,0|3,0,0]=4 8438 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,1,0,0,0,0|2,0,0]=3 8439 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,2]=4 8440 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,1,0,0,0,0|2,0,0]=3 8441 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [0,1,0,0,0,0|3,0,0]=4 8442 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [0,1,0,0,0,0|3,0,0]=4 8443 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|2,0,1]=4 8444 B12R0.234 CCCCCNCCOCC(C)C 34a_100000224656_100000210624 [0,1,0,0,0,0|3,0,0]=4 8445 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,1,0,0,0,0|2,0,0]=3 8446 B12R0.234 CCCCCNCCOCC(F)F 2230a_100000209983_200012177212 [0,1,0,0,0,0|3,0,0]=4 8447 B12R0.234 CCCCCNCCOCC(F)F 34a_100000224656_100011934356 [0,1,0,0,0,0|3,0,0]=4 8448 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,1,0,0,0,0|2,0,0]=3 8449 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,1,0,0,0,0|2,0,0]=3 8450 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,1,0,0,0,0|2,0,0]=3 8451 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,2]=4 8452 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,2]=4 8453 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,2]=4 8454 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,2]=4 8455 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,1,0,0,0,0|2,0,0]=3 8456 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,1,0,0,0,0|2,0,0]=3 8457 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,1,0,0,0,0|2,0,0]=3 8458 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,1,0,0,0,0|2,0,0]=3 8459 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,1,0,0,0,0|2,0,1]=4 8460 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,1,0,0,0,0|2,0,1]=4 8461 B12R0.234 CCCCCOCCCNC(C)C 34a_100000182298_100000718602 [0,1,0,0,0,0|3,0,0]=4 8462 B12R0.234 CCCCCOCCNCC(C)C 34a_100015185251_100000718602 [0,1,0,0,0,0|3,0,0]=4 8463 B12R0.234 CCCCCOCCOCC(C)C 34a_100000703358_100000718602 [0,1,0,0,0,0|3,0,0]=4 8464 B12R0.234 CCCCCOCCOCC(C)C 34a_100011215259_100000210624 [0,1,0,0,0,0|3,0,0]=4 8465 B12R0.234 CCCCCOCCOCC(C)C 7a_100000703358_100000210326 [0,1,0,0,0,0|3,0,0]=4 8466 B12R0.234 CCCCCOCCOCC(C)C 7a_100011215259_100000210760 [0,1,0,0,0,0|3,0,0]=4 8467 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,1,0,0,0,0|2,0,0]=3 8468 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,1,0,0,0,0|2,0,0]=3 8469 B12R0.234 CCCCCOCCOCC(F)F 34a_100000210253_200012177212 [0,1,0,0,0,0|3,0,0]=4 8470 B12R0.234 CCCCCOCCOCC(F)F 34a_100000704375_100000718602 [0,1,0,0,0,0|3,0,0]=4 8471 B12R0.234 CCCCCOCCOCC(F)F 34a_100011215259_100011934356 [0,1,0,0,0,0|3,0,0]=4 8472 B12R0.234 CCCCCOCCOCC(F)F 7a_100000210253_200012177212 [0,1,0,0,0,0|3,0,0]=4 8473 B12R0.234 CCCCCOCCOCC(F)F 7a_100000704375_100000210326 [0,1,0,0,0,0|3,0,0]=4 8474 B12R0.234 CCCCCOCCOCC(F)F 7a_100011215259_100011934356 [0,1,0,0,0,0|3,0,0]=4 8475 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,1,0,0,0,0|2,0,0]=3 8476 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,1,0,0,0,0|2,0,0]=3 8477 B12R0.234 CCCCCOCCSCC(C)C 34a_200000230437_100000718602 [0,1,0,0,0,0|3,0,0]=4 8478 B12R0.234 CCCCCOCCSCC(C)C 7a_200000230437_100000210326 [0,1,0,0,0,0|3,0,0]=4 8479 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,1,0,0,0,0|2,0,0]=3 8480 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,1,0,0,0,0|2,0,0]=3 8481 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,2]=4 8482 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,2]=4 8483 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,1,0,0,0,0|2,0,0]=3 8484 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,1,0,0,0,0|2,0,0]=3 8485 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,1,0,0,0,0|3,0,0]=4 8486 B12R0.234 CCCCCSCCOCC(F)F 62a_100000210326_200012177212 [0,1,0,0,0,0|3,0,0]=4 8487 B12R0.234 CCCCCSCCOCC(F)F 62a_200012177212_100000210326 [0,1,0,0,0,0|3,0,0]=4 8488 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,1,0,0,0,0|2,0,0]=3 8489 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,1,0,0,0,0|2,0,0]=3 8490 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,2]=4 8491 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,2]=4 8492 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,1,0,0,0,0|2,0,0]=3 8493 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,1,0,0,0,0|2,0,0]=3 8494 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,1,0,0,0,0|2,0,0]=3 8495 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,1,0,0,0,0|2,0,0]=3 8496 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [0,1,0,0,0,0|3,0,0]=4 8497 B12R0.234 CCCCNCCCOCC(C)C 2230a_100000205972_100000210211 [0,1,0,0,0,0|3,0,0]=4 8498 B12R0.234 CCCCNCCCOCC(C)C 34a_100000205972_100000210210 [0,1,0,0,0,0|3,0,0]=4 8499 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,1,0,0,0,0|2,0,0]=3 8500 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,1,0,0,0,0|2,0,0]=3 8501 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,2]=4 8502 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 8503 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,2]=4 8504 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 8505 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|1,0,2]=4 8506 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,1,0,0,0,0|2,0,0]=3 8507 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,1,0,0,0,0|2,0,0]=3 8508 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,1,0,0,0,0|2,0,0]=3 8509 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,1,0,0,0,0|2,0,0]=3 8510 B12R0.234 CCCCOCCCCNC(C)C 34a_100011521146_100000210210 [0,1,0,0,0,0|3,0,0]=4 8511 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [0,1,0,0,0,0|3,0,0]=4 8512 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [0,1,0,0,0,0|3,0,0]=4 8513 B12R0.234 CCCCOCCCNCC(C)C 2230a_200000211371_100000210760 [0,1,0,0,0,0|3,0,0]=4 8514 B12R0.234 CCCCOCCCNCC(C)C 270004a_200000211371_100000210432 [0,1,0,0,0,0|3,0,0]=4 8515 B12R0.234 CCCCOCCCNCC(C)C 34a_200000211371_100000210624 [0,1,0,0,0,0|3,0,0]=4 8516 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,1,0,0,0,0|2,0,0]=3 8517 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,1,0,0,0,0|2,0,0]=3 8518 B12R0.234 CCCCOCCCNCC(F)F 2230a_200000211371_100011934356 [0,1,0,0,0,0|3,0,0]=4 8519 B12R0.234 CCCCOCCCNCC(F)F 34a_200000211371_100011934356 [0,1,0,0,0,0|3,0,0]=4 8520 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,1,0,0,0,0|2,0,0]=3 8521 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,1,0,0,0,0|2,0,0]=3 8522 B12R0.234 CCCCOCCCOCC(C)C 34a_200011215613_100000210624 [0,1,0,0,0,0|3,0,0]=4 8523 B12R0.234 CCCCOCCCOCC(C)C 7a_200011215613_100000210760 [0,1,0,0,0,0|3,0,0]=4 8524 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,1,0,0,0,0|2,0,0]=3 8525 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,1,0,0,0,0|2,0,0]=3 8526 B12R0.234 CCCCOCCCOCC(F)F 34a_200011215613_100011934356 [0,1,0,0,0,0|3,0,0]=4 8527 B12R0.234 CCCCOCCCOCC(F)F 7a_200011215613_100011934356 [0,1,0,0,0,0|3,0,0]=4 8528 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,1,0,0,0,0|2,0,0]=3 8529 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,1,0,0,0,0|2,0,0]=3 8530 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,1,0,0,0,0|2,0,0]=3 8531 B12R0.234 CCCCOCCOCCC(C)Br 34a_100009893172_100000743108 [0,1,0,0,0,0|3,0,0]=4 8532 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210238_100000210312 [0,1,0,0,0,0|3,0,0]=4 8533 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210254_100000743108 [0,1,0,0,0,0|3,0,0]=4 8534 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210238_100000210626 [0,1,0,0,0,0|3,0,0]=4 8535 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210254_100000743108 [0,1,0,0,0,0|3,0,0]=4 8536 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,1,0,0,0,0|2,0,0]=3 8537 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,1,0,0,0,0|2,0,0]=3 8538 B12R0.234 CCCCOCCOCCC(F)F 34a_100103093639_100000743108 [0,1,0,0,0,0|3,0,0]=4 8539 B12R0.234 CCCCOCCOCC[C@@H](C)N 34a_100000706166_100000743108 [0,1,0,0,0,0|3,0,0]=4 8540 B12R0.234 CCCCOCCSCCC(C)C 62a_100000210312_100000743108 [0,1,0,0,0,0|3,0,0]=4 8541 B12R0.234 CCCCOCCSCCC(C)C 62a_100000743108_100000210312 [0,1,0,0,0,0|3,0,0]=4 8542 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,1,0,0,0,0|2,0,0]=3 8543 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,1,0,0,0,0|2,0,0]=3 8544 B12R0.234 CCCCOCNCCCC(C)C 2230a_200000737386_100011995733 [0,1,0,0,0,0|3,0,0]=4 8545 B12R0.234 CCCCOCNCCCC(C)C 34a_200000737386_100011995733 [0,1,0,0,0,0|3,0,0]=4 8546 B12R0.234 CCCCOCOCCCC(C)C 34a_100000210774_100011995733 [0,1,0,0,0,0|3,0,0]=4 8547 B12R0.234 CCCCOCSCCCC(C)C 62a_100011214892_100011995733 [0,1,0,0,0,0|3,0,0]=4 8548 B12R0.234 CCCCOCSCCCC(C)C 62a_100011995733_100011214892 [0,1,0,0,0,0|3,0,0]=4 8549 B12R0.234 CCCCOCSCCCC(C)O 62a_100011995733_200000718107 [0,1,0,0,0,0|2,0,0]=3 8550 B12R0.234 CCCCOCSCCCC(C)O 62a_200000718107_100011995733 [0,1,0,0,0,0|2,0,0]=3 8551 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,1,0,0,0,0|2,0,0]=3 8552 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,1,0,0,0,0|2,0,0]=3 8553 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,2]=4 8554 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,2]=4 8555 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,1,0,0,0,0|2,0,0]=3 8556 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,1,0,0,0,0|2,0,0]=3 8557 B12R0.234 CCCCSCCNCCC(C)C 2230a_100025743550_100000210312 [0,1,0,0,0,0|3,0,0]=4 8558 B12R0.234 CCCCSCCNCCC(C)C 269862a_100025743550_100000185833 [0,1,0,0,0,0|3,0,0]=4 8559 B12R0.234 CCCCSCCNCCC(C)O 2230a_100025743550_100012276601 [0,1,0,0,0,0|2,0,0]=3 8560 B12R0.234 CCCCSCCOCCC(C)C 34a_200000230436_100000210312 [0,1,0,0,0,0|3,0,0]=4 8561 B12R0.234 CCCCSCCOCCC(C)C 7a_200000230436_100000210626 [0,1,0,0,0,0|3,0,0]=4 8562 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,1,0,0,0,0|2,0,0]=3 8563 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,1,0,0,0,0|2,0,0]=3 8564 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,1,0,0,0,0|2,0,0]=3 8565 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,1,0,0,0,0|2,0,0]=3 8566 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,1,0,0,0,0|2,0,0]=3 8567 B12R0.234 CCCOCCCCCNC(C)C 34a_100011629493_100000210303 [0,1,0,0,0,0|3,0,0]=4 8568 B12R0.234 CCCOCCCNCCC(C)C 2230a_100011217757_100000210312 [0,1,0,0,0,0|3,0,0]=4 8569 B12R0.234 CCCOCCCNCCC(C)C 269862a_100011217757_100000185833 [0,1,0,0,0,0|3,0,0]=4 8570 B12R0.234 CCCOCCCNCCC(C)C 34a_100011217757_100000210312 [0,1,0,0,0,0|3,0,0]=4 8571 B12R0.234 CCCOCCCNCCC(C)O 2230a_100011217757_100012276601 [0,1,0,0,0,0|2,0,0]=3 8572 B12R0.234 CCCOCCCNCCC(C)O 34a_100011217757_100012276601 [0,1,0,0,0,0|2,0,0]=3 8573 B12R0.234 CCCOCCNCCCC(C)C 2230a_100161115042_100011214892 [0,1,0,0,0,0|3,0,0]=4 8574 B12R0.234 CCCOCCNCCCC(C)C 2230a_200000737386_100011215938 [0,1,0,0,0,0|3,0,0]=4 8575 B12R0.234 CCCOCCNCCCC(C)C 34a_100161115042_100011214892 [0,1,0,0,0,0|3,0,0]=4 8576 B12R0.234 CCCOCCNCCCC(C)C 34a_200000737386_100011215938 [0,1,0,0,0,0|3,0,0]=4 8577 B12R0.234 CCCOCCNCCCC(C)O 2230a_100161115042_200000718107 [0,1,0,0,0,0|2,0,0]=3 8578 B12R0.234 CCCOCCNCCCC(C)O 34a_100161115042_200000718107 [0,1,0,0,0,0|2,0,0]=3 8579 B12R0.234 CCCOCCOCCCC(C)C 34a_100000210774_100011215938 [0,1,0,0,0,0|3,0,0]=4 8580 B12R0.234 CCCOCCOCCCC(C)C 34a_100000752267_100011214892 [0,1,0,0,0,0|3,0,0]=4 8581 B12R0.234 CCCOCCOCCCC(C)C 7a_100000210774_100011215938 [0,1,0,0,0,0|3,0,0]=4 8582 B12R0.234 CCCOCCOCCCC(C)C 7a_100000752267_100011214892 [0,1,0,0,0,0|3,0,0]=4 8583 B12R0.234 CCCOCCOCCCC(C)O 34a_100000752267_200000718107 [0,1,0,0,0,0|2,0,0]=3 8584 B12R0.234 CCCOCCOCCCC(C)O 7a_100000752267_200000718107 [0,1,0,0,0,0|2,0,0]=3 8585 B12R0.234 CCCOCCSCCCC(C)C 62a_100011214892_100011215938 [0,1,0,0,0,0|3,0,0]=4 8586 B12R0.234 CCCOCCSCCCC(C)C 62a_100011215938_100011214892 [0,1,0,0,0,0|3,0,0]=4 8587 B12R0.234 CCCOCCSCCCC(C)O 62a_100011215938_200000718107 [0,1,0,0,0,0|2,0,0]=3 8588 B12R0.234 CCCOCCSCCCC(C)O 62a_200000718107_100011215938 [0,1,0,0,0,0|2,0,0]=3 8589 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,1,0,0,0,0|2,0,0]=3 8590 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,1,0,0,0,0|2,0,0]=3 8591 B12R0.234 CCCSCCNCCCC(C)C 2230a_100020603323_100011214892 [0,1,0,0,0,0|3,0,0]=4 8592 B12R0.234 CCCSCCNCCCC(C)O 2230a_100020603323_200000718107 [0,1,0,0,0,0|2,0,0]=3 8593 B12R0.234 CCCSCCOCCCC(C)C 34a_200000230433_100011214892 [0,1,0,0,0,0|3,0,0]=4 8594 B12R0.234 CCCSCCOCCCC(C)C 7a_200000230433_100011214892 [0,1,0,0,0,0|3,0,0]=4 8595 B12R0.234 CCCSCCOCCCC(C)O 34a_200000230433_200000718107 [0,1,0,0,0,0|2,0,0]=3 8596 B12R0.234 CCCSCCOCCCC(C)O 7a_200000230433_200000718107 [0,1,0,0,0,0|2,0,0]=3 8597 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,1,0,0,0,0|2,0,0]=3 8598 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,1,0,0,0,0|2,0,0]=3 8599 B12R0.234 CCOCCCNCCCC(C)C 2230a_100000210961_100011214892 [0,1,0,0,0,0|3,0,0]=4 8600 B12R0.234 CCOCCCNCCCC(C)C 2230a_200000737386_100012232248 [0,1,0,0,0,0|3,0,0]=4 8601 B12R0.234 CCOCCCNCCCC(C)C 34a_100000210961_100011214892 [0,1,0,0,0,0|3,0,0]=4 8602 B12R0.234 CCOCCCNCCCC(C)C 34a_200000737386_100012232248 [0,1,0,0,0,0|3,0,0]=4 8603 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [0,1,0,0,0,0|2,0,0]=3 8604 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [0,1,0,0,0,0|2,0,0]=3 8605 B12R0.234 CCOCCCOCCCC(C)C 34a_100000210774_100012232248 [0,1,0,0,0,0|3,0,0]=4 8606 B12R0.234 CCOCCCOCCCC(C)C 34a_100000757476_100011214892 [0,1,0,0,0,0|3,0,0]=4 8607 B12R0.234 CCOCCCOCCCC(C)C 7a_100000210774_100012232248 [0,1,0,0,0,0|3,0,0]=4 8608 B12R0.234 CCOCCCOCCCC(C)C 7a_100000757476_100011214892 [0,1,0,0,0,0|3,0,0]=4 8609 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [0,1,0,0,0,0|2,0,0]=3 8610 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [0,1,0,0,0,0|2,0,0]=3 8611 B12R0.234 CCOCCCSCCCC(C)C 62a_100011214892_100012232248 [0,1,0,0,0,0|3,0,0]=4 8612 B12R0.234 CCOCCCSCCCC(C)C 62a_100012232248_100011214892 [0,1,0,0,0,0|3,0,0]=4 8613 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [0,1,0,0,0,0|2,0,0]=3 8614 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [0,1,0,0,0,0|2,0,0]=3 8615 B12R0.234 CCOCCNCCCCB(O)O 2230a_102516460346_200009817182 [0,1,0,0,0,0|3,0,0]=4 8616 B12R0.234 CCOCCNCCCCB(O)O 34a_102516460346_200009817182 [0,1,0,0,0,0|3,0,0]=4 8617 B12R0.234 CCOCCNCCCCC(C)C 2230a_102516460346_100011216152 [0,1,0,0,0,0|3,0,0]=4 8618 B12R0.234 CCOCCNCCCCC(C)C 34a_102516460346_100011216152 [0,1,0,0,0,0|3,0,0]=4 8619 B12R0.234 CCOCCOCCCCB(O)O 34a_100000210136_200009817182 [0,1,0,0,0,0|3,0,0]=4 8620 B12R0.234 CCOCCOCCCCB(O)O 7a_100000210136_200009817182 [0,1,0,0,0,0|3,0,0]=4 8621 B12R0.234 CCOCCOCCCCC(C)C 34a_100000210136_100011216152 [0,1,0,0,0,0|3,0,0]=4 8622 B12R0.234 CCOCCOCCCCC(C)C 34a_100011214890_100000210147 [0,1,0,0,0,0|3,0,0]=4 8623 B12R0.234 CCOCCOCCCCC(C)C 7a_100000210136_100011216152 [0,1,0,0,0,0|3,0,0]=4 8624 B12R0.234 CCOCCOCCCCC(C)C 7a_100011214890_100011215890 [0,1,0,0,0,0|3,0,0]=4 8625 B12R0.234 CCOCCOCCNCC(C)O 2230a_100000210904_100011211534 [0,1,0,0,0,0|3,0,0]=4 8626 B12R0.234 CCOCCOCCNCC(C)O 2230a_100102712874_100011218427 [0,1,0,0,0,0|3,0,0]=4 8627 B12R0.234 CCOCCOCCNCC(C)O 34a_100000210904_100011211534 [0,1,0,0,0,0|3,0,0]=4 8628 B12R0.234 CCOCCOCCNCC(C)O 34a_100102712874_100011218427 [0,1,0,0,0,0|3,0,0]=4 8629 B12R0.234 CCOCCOCCNC[C@@H](C)O 2230a_100102712874_100009817552 [0,1,0,0,0,0|3,0,0]=4 8630 B12R0.234 CCOCCOCCNC[C@@H](C)O 34a_100102712874_100009817552 [0,1,0,0,0,0|3,0,0]=4 8631 B12R0.234 CCOCCOCCOCC(C)O 34a_100000210240_100011218427 [0,1,0,0,0,0|3,0,0]=4 8632 B12R0.234 CCOCCOCCOCC(C)O 7a_100000210240_100011218427 [0,1,0,0,0,0|3,0,0]=4 8633 B12R0.234 CCOCCOCCOC[C@@H](C)O 34a_100000210240_100009817552 [0,1,0,0,0,0|3,0,0]=4 8634 B12R0.234 CCOCCOCCOC[C@@H](C)O 7a_100000210240_100009817552 [0,1,0,0,0,0|3,0,0]=4 8635 B12R0.234 CCOCCOCCSCC(C)O 62a_100011211534_100011218427 [0,1,0,0,0,0|3,0,0]=4 8636 B12R0.234 CCOCCOCCSCC(C)O 62a_100011218427_100011211534 [0,1,0,0,0,0|3,0,0]=4 8637 B12R0.234 CCOCCOCCSC[C@@H](C)O 62a_100009817552_100011211534 [0,1,0,0,0,0|3,0,0]=4 8638 B12R0.234 CCOCCOCCSC[C@@H](C)O 62a_100011211534_100009817552 [0,1,0,0,0,0|3,0,0]=4 8639 B12R0.234 CCOCCSCCCCB(O)O 62a_100000210147_200009817182 [0,1,0,0,0,0|3,0,0]=4 8640 B12R0.234 CCOCCSCCCCB(O)O 62a_200009817182_100011215890 [0,1,0,0,0,0|3,0,0]=4 8641 B12R0.234 CCOCCSCCCCC(C)C 62a_100000210147_100011216152 [0,1,0,0,0,0|3,0,0]=4 8642 B12R0.234 CCOCCSCCCCC(C)C 62a_100011216152_100011215890 [0,1,0,0,0,0|3,0,0]=4 8643 B12R0.234 CCOCSCCCCCB(O)O 62a_100000739092_200009817188 [0,1,0,0,0,0|3,0,0]=4 8644 B12R0.234 CCOCSCCCCCB(O)O 62a_200009817188_100000739092 [0,1,0,0,0,0|3,0,0]=4 8645 B12R0.234 CCOCSCCCCCC(C)C 62a_100000210682_100000739092 [0,1,0,0,0,0|3,0,0]=4 8646 B12R0.234 CCOCSCCCCCC(C)C 62a_100000739092_100000210682 [0,1,0,0,0,0|3,0,0]=4 8647 B12R0.234 CCSCCCOCCCC(C)C 34a_100011216438_100011214892 [0,1,0,0,0,0|3,0,0]=4 8648 B12R0.234 CCSCCCOCCCC(C)C 7a_100011216438_100011214892 [0,1,0,0,0,0|3,0,0]=4 8649 B12R0.234 CCSCCCOCCCC(C)O 34a_100011216438_200000718107 [0,1,0,0,0,0|2,0,0]=3 8650 B12R0.234 CCSCCCOCCCC(C)O 7a_100011216438_200000718107 [0,1,0,0,0,0|2,0,0]=3 8651 B12R0.234 CCSCCNCCCCB(O)O 2230a_100000106463_200009817182 [0,1,0,0,0,0|3,0,0]=4 8652 B12R0.234 CCSCCNCCCCC(C)C 2230a_100000106463_100011216152 [0,1,0,0,0,0|3,0,0]=4 8653 B12R0.234 CCSCCOCCCCB(O)O 34a_100000212035_200009817182 [0,1,0,0,0,0|3,0,0]=4 8654 B12R0.234 CCSCCOCCCCB(O)O 7a_100000212035_200009817182 [0,1,0,0,0,0|3,0,0]=4 8655 B12R0.234 CCSCCOCCCCC(C)C 34a_100000212035_100011216152 [0,1,0,0,0,0|3,0,0]=4 8656 B12R0.234 CCSCCOCCCCC(C)C 34a_100011214890_100000757381 [0,1,0,0,0,0|3,0,0]=4 8657 B12R0.234 CCSCCOCCCCC(C)C 7a_100000212035_100011216152 [0,1,0,0,0,0|3,0,0]=4 8658 B12R0.234 CCSCCOCCCCC(C)C 7a_100011214890_100000757381 [0,1,0,0,0,0|3,0,0]=4 8659 B12R0.234 CCSCCSCCCCB(O)O 62a_100000757381_200009817182 [0,1,0,0,0,0|3,0,0]=4 8660 B12R0.234 CCSCCSCCCCB(O)O 62a_200009817182_100000757381 [0,1,0,0,0,0|3,0,0]=4 8661 B12R0.234 CCSCCSCCCCC(C)C 62a_100000757381_100011216152 [0,1,0,0,0,0|3,0,0]=4 8662 B12R0.234 CCSCCSCCCCC(C)C 62a_100011216152_100000757381 [0,1,0,0,0,0|3,0,0]=4 8663 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,1,0,0,0,0|1,0,0]=2 8664 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,1,0,0,0,0|1,0,0]=2 8665 B12R0.234 CN(C)CCCCSCCCCF 62a_100000729493_100000690147 [0,1,0,0,0,0|3,0,0]=4 8666 B12R0.234 CN(C)CCCCSCCCCO 62a_100000210776_100000690147 [0,1,0,0,0,0|2,0,0]=3 8667 B12R0.234 CN(C)CCCOCCCCCBr 7a_100000746331_100000757444 [0,1,0,0,0,0|3,0,0]=4 8668 B12R0.234 CN(C)CCCOCCCCCCl 7a_100000746330_100000757444 [0,1,0,0,0,0|3,0,0]=4 8669 B12R0.234 CN(C)CCCOCCCCCI 7a_200012148887_100000757444 [0,1,0,0,0,0|3,0,0]=4 8670 B12R0.234 CN(C)CCCSCCCCCF 62a_100000729378_100000757444 [0,1,0,0,0,0|3,0,0]=4 8671 B12R0.234 CN(C)CCCSCCCCCO 62a_100000746330_100000757444 [0,1,0,0,0,0|2,0,0]=3 8672 B12R0.234 CN(C)CCCSCCOCCO 62a_100011215305_100000757444 [0,1,0,0,0,0|3,0,0]=4 8673 B12R0.234 CN(C)CCOCCCCCCBr 7a_100011215345_100000755713 [0,1,0,0,0,0|3,0,0]=4 8674 B12R0.234 CN(C)CCOCCCCCCCl 7a_100000766143_100000755713 [0,1,0,0,0,0|3,0,0]=4 8675 B12R0.234 CN(C)CCOCCCCCCF 7a_100000732779_100000755713 [0,1,0,0,0,0|3,0,0]=4 8676 B12R0.234 CN(C)CCSCCCCCCF 62a_100015922095_100000755713 [0,1,0,0,0,0|3,0,0]=4 8677 B12R0.234 CN(C)CCSCCCCCCO 62a_100000766143_100000755713 [0,1,0,0,0,0|2,0,0]=3 8678 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,1,0,0,0,0|3,0,0]=4 8679 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,1,0,0,0,0|2,0,0]=3 8680 B12R0.234 CNCCCOCCCCB(O)O 34a_100000213112_200009817182 [0,1,0,0,0,0|3,0,0]=4 8681 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [0,1,0,0,0,0|3,0,0]=4 8682 B12R0.234 CNCCOCCOCCC(C)O 34a_100000228057_100012276601 [0,1,0,0,0,0|3,0,0]=4 8683 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|2,0,1]=4 8684 B12R0.234 COCCCCCCNCC(C)C 2230a_100000210953_100011998445 [0,1,0,0,0,0|3,0,0]=4 8685 B12R0.234 COCCCCCCNCC(C)C 34a_100000210953_100011998445 [0,1,0,0,0,0|3,0,0]=4 8686 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,1,0,0,0,0|2,0,0]=3 8687 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,1,0,0,0,0|2,0,0]=3 8688 B12R0.234 COCCCCCCNCC(F)F 34a_100000765723_100011998445 [0,1,0,0,0,0|3,0,0]=4 8689 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,1,0,0,0,0|3,0,0]=4 8690 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,1,0,0,0,0|3,0,0]=4 8691 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,1,0,0,0,0|3,0,0]=4 8692 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,1,0,0,0,0|3,0,0]=4 8693 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,1,0,0,0,0|3,0,0]=4 8694 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,1,0,0,0,0|2,0,0]=3 8695 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,1,0,0,0,0|2,0,0]=3 8696 B12R0.234 COCCCCCCOCC(F)F 34a_100000743014_100011998445 [0,1,0,0,0,0|3,0,0]=4 8697 B12R0.234 COCCCCCCOCC(F)F 34a_200012092642_100011934356 [0,1,0,0,0,0|3,0,0]=4 8698 B12R0.234 COCCCCCCOCC(F)F 7a_200012092642_100011934356 [0,1,0,0,0,0|3,0,0]=4 8699 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,1,0,0,0,0|3,0,0]=4 8700 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,1,0,0,0,0|3,0,0]=4 8701 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,1,0,0,0,0|2,0,0]=3 8702 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,1,0,0,0,0|2,0,0]=3 8703 B12R0.234 COCCCCCCSCC(C)C 62a_100000210624_100011998445 [0,1,0,0,0,0|3,0,0]=4 8704 B12R0.234 COCCCCCCSCC(C)C 62a_100011998445_100000210760 [0,1,0,0,0,0|3,0,0]=4 8705 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,1,0,0,0,0|2,0,0]=3 8706 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,1,0,0,0,0|2,0,0]=3 8707 B12R0.234 COCCCCCCSCC(F)F 62a_100011934356_100011998445 [0,1,0,0,0,0|3,0,0]=4 8708 B12R0.234 COCCCCCCSCC(F)F 62a_100011998445_100011934356 [0,1,0,0,0,0|3,0,0]=4 8709 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,1,0,0,0,0|2,0,0]=3 8710 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,1,0,0,0,0|2,0,0]=3 8711 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [0,1,0,0,0,0|3,0,0]=4 8712 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [0,1,0,0,0,0|3,0,0]=4 8713 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [0,1,0,0,0,0|3,0,0]=4 8714 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,1,0,0,0,0|2,0,0]=3 8715 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,1,0,0,0,0|2,0,0]=3 8716 B12R0.234 COCCCCNCCCC(C)C 2230a_200000737386_100000730899 [0,1,0,0,0,0|3,0,0]=4 8717 B12R0.234 COCCCCNCCCC(C)C 34a_200000737386_100000755781 [0,1,0,0,0,0|3,0,0]=4 8718 B12R0.234 COCCCCOCCCC(C)C 34a_100000210774_100000755781 [0,1,0,0,0,0|3,0,0]=4 8719 B12R0.234 COCCCCOCCCC(C)C 34a_100000740925_100011214892 [0,1,0,0,0,0|3,0,0]=4 8720 B12R0.234 COCCCCOCCCC(C)C 7a_100000210774_100000730899 [0,1,0,0,0,0|3,0,0]=4 8721 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,1,0,0,0,0|2,0,0]=3 8722 B12R0.234 COCCCCSCCCC(C)C 62a_100000730899_100011214892 [0,1,0,0,0,0|3,0,0]=4 8723 B12R0.234 COCCCCSCCCC(C)C 62a_100011214892_100000730899 [0,1,0,0,0,0|3,0,0]=4 8724 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,1,0,0,0,0|2,0,0]=3 8725 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,1,0,0,0,0|2,0,0]=3 8726 B12R0.234 COCCCNCCCCB(O)O 34a_100150723488_200009817182 [0,1,0,0,0,0|3,0,0]=4 8727 B12R0.234 COCCCNCCCCC(C)C 34a_100150723488_100011216152 [0,1,0,0,0,0|3,0,0]=4 8728 B12R0.234 COCCCOCCCCB(O)O 34a_100000740835_200009817182 [0,1,0,0,0,0|3,0,0]=4 8729 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [0,1,0,0,0,0|3,0,0]=4 8730 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [0,1,0,0,0,0|3,0,0]=4 8731 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [0,1,0,0,0,0|3,0,0]=4 8732 B12R0.234 COCCCSCCCCB(O)O 62a_100000709357_200009817182 [0,1,0,0,0,0|3,0,0]=4 8733 B12R0.234 COCCCSCCCCB(O)O 62a_200009817182_100000709357 [0,1,0,0,0,0|3,0,0]=4 8734 B12R0.234 COCCCSCCCCC(C)C 62a_100000709357_100011216152 [0,1,0,0,0,0|3,0,0]=4 8735 B12R0.234 COCCCSCCCCC(C)C 62a_100011216152_100000709357 [0,1,0,0,0,0|3,0,0]=4 8736 B12R0.234 COCCNCCCCCB(O)O 2230a_100000209980_200009817188 [0,1,0,0,0,0|3,0,0]=4 8737 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [0,1,0,0,0,0|3,0,0]=4 8738 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [0,1,0,0,0,0|3,0,0]=4 8739 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [0,1,0,0,0,0|3,0,0]=4 8740 B12R0.234 COCCOCCCCCB(O)O 34a_100000210237_200009817188 [0,1,0,0,0,0|3,0,0]=4 8741 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [0,1,0,0,0,0|3,0,0]=4 8742 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [0,1,0,0,0,0|3,0,0]=4 8743 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [0,1,0,0,0,0|3,0,0]=4 8744 B12R0.234 COCCOCCCNCC(C)O 2230a_100000206027_100011218427 [0,1,0,0,0,0|3,0,0]=4 8745 B12R0.234 COCCOCCCNCC(C)O 2230a_100000210904_100011216529 [0,1,0,0,0,0|3,0,0]=4 8746 B12R0.234 COCCOCCCNCC(C)O 34a_100000206027_100011218427 [0,1,0,0,0,0|3,0,0]=4 8747 B12R0.234 COCCOCCCNCC(C)O 34a_100000210904_100011216529 [0,1,0,0,0,0|3,0,0]=4 8748 B12R0.234 COCCOCCCNC[C@@H](C)O 2230a_100000206027_100009817552 [0,1,0,0,0,0|3,0,0]=4 8749 B12R0.234 COCCOCCCNC[C@@H](C)O 34a_100000206027_100009817552 [0,1,0,0,0,0|3,0,0]=4 8750 B12R0.234 COCCOCCCSCC(C)O 62a_100011216529_100011218427 [0,1,0,0,0,0|3,0,0]=4 8751 B12R0.234 COCCOCCCSCC(C)O 62a_100011218427_100011216529 [0,1,0,0,0,0|3,0,0]=4 8752 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100009817552_100011216529 [0,1,0,0,0,0|3,0,0]=4 8753 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100011216529_100009817552 [0,1,0,0,0,0|3,0,0]=4 8754 B12R0.234 COCCOCCNCCC(C)O 2230a_100000745349_100012276601 [0,1,0,0,0,0|3,0,0]=4 8755 B12R0.234 COCCOCCNCCC(C)O 2230a_200000755665_100000695917 [0,1,0,0,0,0|3,0,0]=4 8756 B12R0.234 COCCOCCNCCC(C)O 34a_100000745349_100012276601 [0,1,0,0,0,0|3,0,0]=4 8757 B12R0.234 COCCOCCOCCC(C)O 34a_100011215163_100012276601 [0,1,0,0,0,0|3,0,0]=4 8758 B12R0.234 COCCOCCOCCC(C)O 7a_100011215163_100012276601 [0,1,0,0,0,0|3,0,0]=4 8759 B12R0.234 COCCOCCSCCC(C)O 62a_100000695917_100012276601 [0,1,0,0,0,0|3,0,0]=4 8760 B12R0.234 COCCOCCSCCC(C)O 62a_100012276601_100000695917 [0,1,0,0,0,0|3,0,0]=4 8761 B12R0.234 COCCOCSCCCC(C)O 62a_100000231047_200000718107 [0,1,0,0,0,0|3,0,0]=4 8762 B12R0.234 COCCOCSCCCC(C)O 62a_200000718107_100000231047 [0,1,0,0,0,0|3,0,0]=4 8763 B12R0.234 COCCSCCCCCB(O)O 62a_100000233755_200009817188 [0,1,0,0,0,0|3,0,0]=4 8764 B12R0.234 COCCSCCCCCB(O)O 62a_200009817188_100000233755 [0,1,0,0,0,0|3,0,0]=4 8765 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [0,1,0,0,0,0|3,0,0]=4 8766 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [0,1,0,0,0,0|3,0,0]=4 8767 B12R0.234 COCNCCCCCCC(C)C 2230a_100000211014_100000766300 [0,1,0,0,0,0|3,0,0]=4 8768 B12R0.234 COCSCCCCCCB(O)O 62a_100000766300_100009817187 [0,1,0,0,0,0|3,0,0]=4 8769 B12R0.234 COCSCCCCCCB(O)O 62a_100009817187_100000766300 [0,1,0,0,0,0|3,0,0]=4 8770 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,1,0,0,0,0|3,0,0]=4 8771 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,1,0,0,0,0|2,0,0]=3 8772 B12R0.234 CS(=O)CCCNCCOCCO 2230a_200000753449_100011215305 [0,1,0,0,0,0|3,0,0]=4 8773 B12R0.234 CSCCCCOCCCC(C)C 34a_100011217163_100011214892 [0,1,0,0,0,0|3,0,0]=4 8774 B12R0.234 CSCCCCOCCCC(C)C 7a_100011217163_100011214892 [0,1,0,0,0,0|3,0,0]=4 8775 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,1,0,0,0,0|2,0,0]=3 8776 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,1,0,0,0,0|2,0,0]=3 8777 B12R0.234 CSCCCNCCCCB(O)O 2230a_100000749238_200009817182 [0,1,0,0,0,0|3,0,0]=4 8778 B12R0.234 CSCCCNCCCCC(C)C 2230a_100000749238_100011216152 [0,1,0,0,0,0|3,0,0]=4 8779 B12R0.234 CSCCCOCCCCB(O)O 34a_100000690336_200009817182 [0,1,0,0,0,0|3,0,0]=4 8780 B12R0.234 CSCCCOCCCCB(O)O 7a_100000690336_200009817182 [0,1,0,0,0,0|3,0,0]=4 8781 B12R0.234 CSCCCOCCCCC(C)C 34a_100000690336_100011216152 [0,1,0,0,0,0|3,0,0]=4 8782 B12R0.234 CSCCCOCCCCC(C)C 7a_100000690336_100011216152 [0,1,0,0,0,0|3,0,0]=4 8783 B12R0.234 CSCCNCCCCCB(O)O 2230a_100020590264_200009817188 [0,1,0,0,0,0|3,0,0]=4 8784 B12R0.234 CSCCNCCCCCC(C)C 2230a_100011290863_100000751147 [0,1,0,0,0,0|3,0,0]=4 8785 B12R0.234 CSCCNCCCCCC(C)C 2230a_100020590264_100000210682 [0,1,0,0,0,0|3,0,0]=4 8786 B12R0.234 CSCCNCCCCCC(C)C 34a_100011290863_100000212216 [0,1,0,0,0,0|3,0,0]=4 8787 B12R0.234 CSCCOCCCCCB(O)O 34a_100000230434_200009817188 [0,1,0,0,0,0|3,0,0]=4 8788 B12R0.234 CSCCOCCCCCB(O)O 7a_100000230434_200009817188 [0,1,0,0,0,0|3,0,0]=4 8789 B12R0.234 CSCCOCCCCCC(C)C 34a_100000230434_100000210682 [0,1,0,0,0,0|3,0,0]=4 8790 B12R0.234 CSCCOCCCCCC(C)C 34a_100011995859_100000212216 [0,1,0,0,0,0|3,0,0]=4 8791 B12R0.234 CSCCOCCCCCC(C)C 7a_100000230434_100000210682 [0,1,0,0,0,0|3,0,0]=4 8792 B12R0.234 CSCCOCCCCCC(C)C 7a_100011995859_100000212216 [0,1,0,0,0,0|3,0,0]=4 8793 B12R0.234 CSCCSCCCCCB(O)O 62a_100000212216_200009817188 [0,1,0,0,0,0|3,0,0]=4 8794 B12R0.234 CSCCSCCCCCB(O)O 62a_200009817188_100000751147 [0,1,0,0,0,0|3,0,0]=4 8795 B12R0.234 CSCCSCCCCCC(C)C 62a_100000210682_100000751147 [0,1,0,0,0,0|3,0,0]=4 8796 B12R0.234 CSCCSCCCCCC(C)C 62a_100000212216_100000210682 [0,1,0,0,0,0|3,0,0]=4 8797 B12R0.234 CSCNCCCCCCC(C)C 2230a_100000211014_100011218213 [0,1,0,0,0,0|3,0,0]=4 8798 B12R0.234 CSCNCCCCCCC(C)C 34a_100000211014_100011218213 [0,1,0,0,0,0|3,0,0]=4 8799 B12R0.234 CSCSCCCCCCB(O)O 62a_100009817187_100011218213 [0,1,0,0,0,0|3,0,0]=4 8800 B12R0.234 CSCSCCCCCCB(O)O 62a_100011218213_100009817187 [0,1,0,0,0,0|3,0,0]=4 8801 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,1,0,0,0,0|1,0,0]=2 8802 B12R0.234 C[C@@H](N)CCOCCCCCCF 34a_100000706166_100015922095 [0,1,0,0,0,0|2,0,0]=3 8803 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,1,0,0,0,0|1,0,0]=2 8804 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,1,0,0,0,0|1,0,0]=2 8805 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,1,0,0,0,0|1,0,0]=2 8806 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,1,0,0,0,0|1,0,0]=2 8807 B12R0.234 C[C@@H](O)CNCCCOCCCO 2230a_100011310245_100009817552 [0,1,0,0,0,0|2,0,0]=3 8808 B12R0.234 C[C@@H](O)CNCCCOCCCO 34a_100011310245_100009817552 [0,1,0,0,0,0|2,0,0]=3 8809 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,1,0,0,0,0|2,0,0]=3 8810 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,1,0,0,0,0|2,0,0]=3 8811 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,1,0,0,0,0|2,0,0]=3 8812 B12R0.234 C[C@@H](O)COCCCOCCCN 34a_100011310245_100009817552 [0,1,0,0,0,0|3,0,0]=4 8813 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009813337_100009817552 [0,1,0,0,0,0|2,0,1]=4 8814 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009817552_100009813337 [0,1,0,0,0,0|2,0,1]=4 8815 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,1,0,0,0,0|1,0,0]=2 8816 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,1,0,0,0,0|1,0,0]=2 8817 B12R0.234 FC(F)COCCCCCCCBr 34a_100000760002_100011934356 [0,1,0,0,0,0|3,0,0]=4 8818 B12R0.234 FC(F)COCCCCCCCBr 7a_100000760002_100011934356 [0,1,0,0,0,0|3,0,0]=4 8819 B12R0.234 FCCCCCCOCCC(F)F 34a_100103093639_100015922095 [0,1,0,0,0,0|3,0,0]=4 8820 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|2,0,1]=4 8821 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|2,0,1]=4 8822 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|2,0,1]=4 8823 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|2,0,1]=4 8824 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|2,0,1]=4 8825 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|2,0,1]=4 8826 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|2,0,1]=4 8827 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,1]=4 8828 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,1]=4 8829 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 8830 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,1]=4 8831 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,1]=4 8832 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,1]=4 8833 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 8834 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 8835 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,1]=4 8836 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,1]=4 8837 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,1]=4 8838 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,1]=4 8839 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,1]=4 8840 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,1]=4 8841 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,1]=4 8842 B12R0.234 NCCCCCCCOCC(F)F 34a_100011996573_100011934356 [0,1,0,0,0,0|3,0,0]=4 8843 B12R0.234 NCCCCOCCCCB(O)O 34a_100000750430_200009817182 [0,1,0,0,0,0|3,0,0]=4 8844 B12R0.234 NCCCOCCCCCB(O)O 34a_100000182051_200009817188 [0,1,0,0,0,0|3,0,0]=4 8845 B12R0.234 NCCOCCCCCCB(O)O 34a_100000210304_100009817187 [0,1,0,0,0,0|3,0,0]=4 8846 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|2,0,1]=4 8847 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|2,0,1]=4 8848 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,1]=4 8849 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|2,0,1]=4 8850 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|2,0,1]=4 8851 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,1,0,0,0,0|3,0,0]=4 8852 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,1,0,0,0,0|3,0,0]=4 8853 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,1,0,0,0,0|3,0,0]=4 8854 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,1,0,0,0,0|3,0,0]=4 8855 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,1,0,0,0,0|3,0,0]=4 8856 B12R0.234 OB(O)CCCCCCNCCF 34a_100000724931_100009817187 [0,1,0,0,0,0|3,0,0]=4 8857 B12R0.234 OB(O)CCCCCCOCCBr 34a_100000211926_100009817187 [0,1,0,0,0,0|3,0,0]=4 8858 B12R0.234 OB(O)CCCCCCSCCF 62a_100009817187_100011217306 [0,1,0,0,0,0|3,0,0]=4 8859 B12R0.234 OB(O)CCCCCCSCCF 62a_100011217306_100009817187 [0,1,0,0,0,0|3,0,0]=4 8860 B12R0.234 OB(O)CCCCCNCCCF 2230a_100015189416_200009817188 [0,1,0,0,0,0|3,0,0]=4 8861 B12R0.234 OB(O)CCCCCNCCCF 34a_100015189416_200009817188 [0,1,0,0,0,0|3,0,0]=4 8862 B12R0.234 OB(O)CCCCCOCCCBr 34a_100011217188_200009817188 [0,1,0,0,0,0|3,0,0]=4 8863 B12R0.234 OB(O)CCCCCOCCCCl 34a_100000230001_200009817188 [0,1,0,0,0,0|3,0,0]=4 8864 B12R0.234 OB(O)CCCCCOCCCF 34a_100000759539_200009817188 [0,1,0,0,0,0|3,0,0]=4 8865 B12R0.234 OB(O)CCCCCSCCCF 62a_100011934791_200009817188 [0,1,0,0,0,0|3,0,0]=4 8866 B12R0.234 OB(O)CCCCCSCCCF 62a_200009817188_100011934791 [0,1,0,0,0,0|3,0,0]=4 8867 B12R0.234 OB(O)CCCCOCCCCBr 34a_100011216708_200009817182 [0,1,0,0,0,0|3,0,0]=4 8868 B12R0.234 OB(O)CCCCOCCCCCl 34a_100000210776_200009817182 [0,1,0,0,0,0|3,0,0]=4 8869 B12R0.234 OB(O)CCCCOCCCCCl 7a_100000210776_200009817182 [0,1,0,0,0,0|3,0,0]=4 8870 B12R0.234 OB(O)CCCCOCCCCF 34a_100011995726_200009817182 [0,1,0,0,0,0|3,0,0]=4 8871 B12R0.234 OB(O)CCCCOCCCCF 7a_100011995726_200009817182 [0,1,0,0,0,0|3,0,0]=4 8872 B12R0.234 OB(O)CCCCOCCCCI 34a_200012148704_200009817182 [0,1,0,0,0,0|3,0,0]=4 8873 B12R0.234 OB(O)CCCCSCCCCF 62a_100000729493_200009817182 [0,1,0,0,0,0|3,0,0]=4 8874 B12R0.234 OB(O)CCCCSCCCCF 62a_200009817182_100000729493 [0,1,0,0,0,0|3,0,0]=4 8875 B12R0.234 OCCCCCCCNCC(F)F 2230a_100011996573_100011934356 [0,1,0,0,0,0|2,0,0]=3 8876 B12R0.234 OCCCCCCCNCC(F)F 34a_100000765723_100000760002 [0,1,0,0,0,0|2,0,0]=3 8877 B12R0.234 OCCCCCCCNCC(F)F 34a_100011996573_100011934356 [0,1,0,0,0,0|2,0,0]=3 8878 B12R0.234 OCCCCCCCOCC(F)F 34a_100000743014_100000760002 [0,1,0,0,0,0|2,0,0]=3 8879 B12R0.234 OCCCCCCCSCC(F)F 62a_100000760002_100011934356 [0,1,0,0,0,0|2,0,0]=3 8880 B12R0.234 OCCCCCCCSCC(F)F 62a_100011934356_100000760002 [0,1,0,0,0,0|2,0,0]=3 8881 B12R0.234 OCCCCCCOCCC(F)F 34a_100103093639_100000766143 [0,1,0,0,0,0|2,0,0]=3 8882 B12R0.234 OCCCCNCCCCB(O)O 2230a_100000750430_200009817182 [0,1,0,0,0,0|3,0,0]=4 8883 B12R0.234 OCCCCNCCCCB(O)O 34a_100000750430_200009817182 [0,1,0,0,0,0|3,0,0]=4 8884 B12R0.234 OCCCCNCCOCC(F)F 2230a_100000750430_200012177212 [0,1,0,0,0,0|3,0,0]=4 8885 B12R0.234 OCCCCNCCOCC(F)F 34a_100000750430_200012177212 [0,1,0,0,0,0|3,0,0]=4 8886 B12R0.234 OCCCCOCCOCC(F)F 34a_100000704375_100011216708 [0,1,0,0,0,0|3,0,0]=4 8887 B12R0.234 OCCCCOCCOCC(F)F 7a_100000704375_100000210776 [0,1,0,0,0,0|3,0,0]=4 8888 B12R0.234 OCCCCSCCCCB(O)O 62a_100000210776_200009817182 [0,1,0,0,0,0|3,0,0]=4 8889 B12R0.234 OCCCCSCCCCB(O)O 62a_200009817182_100000210776 [0,1,0,0,0,0|3,0,0]=4 8890 B12R0.234 OCCCCSCCOCC(F)F 62a_100000210776_200012177212 [0,1,0,0,0,0|3,0,0]=4 8891 B12R0.234 OCCCCSCCOCC(F)F 62a_200012177212_100000210776 [0,1,0,0,0,0|3,0,0]=4 8892 B12R0.234 OCCCOCCCNCC(F)F 2230a_100011310245_100011934356 [0,1,0,0,0,0|3,0,0]=4 8893 B12R0.234 OCCCOCCCNCC(F)F 34a_100011310245_100011934356 [0,1,0,0,0,0|3,0,0]=4 8894 B12R0.234 OCCCSCCCCCB(O)O 62a_100011215043_200009817188 [0,1,0,0,0,0|3,0,0]=4 8895 B12R0.234 OCCCSCCCCCB(O)O 62a_200009817188_100011215043 [0,1,0,0,0,0|3,0,0]=4 8896 B12R0.234 OCCNCCCCCCB(O)O 2230a_100016997473_100009817187 [0,1,0,0,0,0|3,0,0]=4 8897 B12R0.234 OCCNCCCCCCB(O)O 34a_100016990907_100009817187 [0,1,0,0,0,0|3,0,0]=4 8898 B12R0.234 OCCSCCCCCCB(O)O 62a_100000211926_100009817187 [0,1,0,0,0,0|3,0,0]=4 8899 B12R0.234 OCCSCCCCCCB(O)O 62a_100009817187_100000211926 [0,1,0,0,0,0|3,0,0]=4 8900 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,1]=3 8901 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,2]=4 8902 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,0,0,0,0|0,0,3]=4 8903 B12R0.248 C#CC(C)NCCCCCCCC 2230a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 8904 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000229939_200000035995 [0,1,0,0,0,0|2,0,1]=4 8905 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 8906 B12R0.248 C#CC(C)NCCCCCCCO 2230a_100000707721_100000760002 [0,1,0,0,0,0|1,0,2]=4 8907 B12R0.248 C#CC(C)NCCCCCCCO 34a_100000707721_100000760002 [0,1,0,0,0,0|1,0,2]=4 8908 B12R0.248 C#CC(C)NCCCCCCCO 34a_100011996573_200000035995 [0,1,0,0,0,0|1,0,2]=4 8909 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,1,0,0,0,0|2,0,1]=4 8910 B12R0.248 C#CC(C)SCCCCCCCC 62a_200000035995_100000210317 [0,1,0,0,0,0|2,0,1]=4 8911 B12R0.248 C#CC(C)SCCCCCCCO 62a_200000035995_100000760002 [0,1,0,0,0,0|1,0,2]=4 8912 B12R0.248 C#CC(O)CCCCCNCCO 2230a_100016997473_200010408556 [0,1,0,0,0,0|1,0,2]=4 8913 B12R0.248 C#CC(O)CCCCCNCCO 34a_100016990907_200010408556 [0,1,0,0,0,0|1,0,2]=4 8914 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,1,0,0,0,0|2,0,1]=4 8915 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,1,0,0,0,0|2,0,1]=4 8916 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,1,0,0,0,0|2,0,1]=4 8917 B12R0.248 C#CC(O)CCCCCSCCO 62a_100000211926_200010408556 [0,1,0,0,0,0|1,0,2]=4 8918 B12R0.248 C#CC(O)CCCCCSCCO 62a_200010408556_100000211926 [0,1,0,0,0,0|1,0,2]=4 8919 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,1,0,0,0,0|1,0,2]=4 8920 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,1,0,0,0,0|1,0,2]=4 8921 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|0,0,3]=4 8922 B12R0.248 C#CCCCCCCCN(C)CC 2230a_100000225621_100153394163 [0,1,0,0,0,0|2,0,1]=4 8923 B12R0.248 C#CCCCCCCCN(C)CC 269982a_100000225621_100153394163 [0,1,0,0,0,0|2,0,1]=4 8924 B12R0.248 C#CCCCCCCNC(C)CC 2230a_100000209981_100012276617 [0,1,0,0,0,0|2,0,1]=4 8925 B12R0.248 C#CCCCCCCN[C@H](C)CO 2230a_100000737577_100012276617 [0,1,0,0,0,0|1,0,2]=4 8926 B12R0.248 C#CCCCCCCOC(C)CC 34a_100011217361_100011215416 [0,1,0,0,0,0|2,0,1]=4 8927 B12R0.248 C#CCCCCCCOC(C)CC 7a_100000210228_100012276617 [0,1,0,0,0,0|2,0,1]=4 8928 B12R0.248 C#CCCCCCCOC(C)CC 7a_100011217361_100000758301 [0,1,0,0,0,0|2,0,1]=4 8929 B12R0.248 C#CCCCCCCOC(C)CO 34a_100011217361_100012180447 [0,1,0,0,0,0|1,0,2]=4 8930 B12R0.248 C#CCCCCCCOC(C)CO 7a_100011217361_100012180447 [0,1,0,0,0,0|1,0,2]=4 8931 B12R0.248 C#CCCCCCCSC(C)CC 62a_100000758301_100012276617 [0,1,0,0,0,0|2,0,1]=4 8932 B12R0.248 C#CCCCCCCSC(C)CC 62a_100012276617_100000758301 [0,1,0,0,0,0|2,0,1]=4 8933 B12R0.248 C#CCCCCCCSC(C)CO 62a_100012180447_100012276617 [0,1,0,0,0,0|1,0,2]=4 8934 B12R0.248 C#CCCCCCCS[C@H](C)CO 62a_100012276617_100016084084 [0,1,0,0,0,0|1,0,2]=4 8935 B12R0.248 C#CCCCCCCS[C@H](C)CO 62a_100016084084_100012276617 [0,1,0,0,0,0|1,0,2]=4 8936 B12R0.248 C#CCCCCCNCC(C)CC 2230a_100020588543_100012094781 [0,1,0,0,0,0|2,0,1]=4 8937 B12R0.248 C#CCCCCCNCC(C)CO 34a_100000744482_100012094781 [0,1,0,0,0,0|1,0,2]=4 8938 B12R0.248 C#CCCCCCNCC(O)CC 2230a_100011218483_100012094781 [0,1,0,0,0,0|2,0,1]=4 8939 B12R0.248 C#CCCCCCNC[C@@H](F)CO 34a_100015665980_100012094781 [0,1,0,0,0,0|1,0,2]=4 8940 B12R0.248 C#CCCCCCNC[C@H](O)CO 2230a_100020644852_100012094781 [0,1,0,0,0,0|1,0,2]=4 8941 B12R0.248 C#CCCCCCOCC(C)CC 34a_100000766912_100000748023 [0,1,0,0,0,0|2,0,1]=4 8942 B12R0.248 C#CCCCCCOCC(C)CC 7a_100000766912_100000748023 [0,1,0,0,0,0|2,0,1]=4 8943 B12R0.248 C#CCCCCCOCC(O)CC 34a_100000766912_100011218378 [0,1,0,0,0,0|2,0,1]=4 8944 B12R0.248 C#CCCCCCOCC(O)CC 7a_100000766912_100011218378 [0,1,0,0,0,0|2,0,1]=4 8945 B12R0.248 C#CCCCCCOCC(O)CO 34a_100000766912_100011219619 [0,1,0,0,0,0|1,0,2]=4 8946 B12R0.248 C#CCCCCCOCC(O)CO 7a_100000766912_100011219619 [0,1,0,0,0,0|1,0,2]=4 8947 B12R0.248 C#CCCCCCOC[C@@H](C)CC 34a_100000766912_100009816398 [0,1,0,0,0,0|2,0,1]=4 8948 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100000766912_100009816398 [0,1,0,0,0,0|2,0,1]=4 8949 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100009816381_100012094781 [0,1,0,0,0,0|2,0,1]=4 8950 B12R0.248 C#CCCCCCOC[C@@H](C)CO 34a_100000766912_100000059175 [0,1,0,0,0,0|1,0,2]=4 8951 B12R0.248 C#CCCCCCOC[C@@H](C)CO 7a_100000766912_100000059175 [0,1,0,0,0,0|1,0,2]=4 8952 B12R0.248 C#CCCCCCOC[C@@H](O)CO 34a_100000766912_100009815848 [0,1,0,0,0,0|1,0,2]=4 8953 B12R0.248 C#CCCCCCOC[C@@H](O)CO 7a_100000766912_100009815848 [0,1,0,0,0,0|1,0,2]=4 8954 B12R0.248 C#CCCCCCSCC(C)CC 62a_100000748023_100012094781 [0,1,0,0,0,0|2,0,1]=4 8955 B12R0.248 C#CCCCCCSCC(C)CC 62a_100012094781_100000748023 [0,1,0,0,0,0|2,0,1]=4 8956 B12R0.248 C#CCCCCCSCC(O)CC 62a_100011218378_100012094781 [0,1,0,0,0,0|2,0,1]=4 8957 B12R0.248 C#CCCCCCSCC(O)CC 62a_100012094781_100011218378 [0,1,0,0,0,0|2,0,1]=4 8958 B12R0.248 C#CCCCCCSCC(O)CO 62a_100011219619_100012094781 [0,1,0,0,0,0|1,0,2]=4 8959 B12R0.248 C#CCCCCCSCC(O)CO 62a_100012094781_100011219619 [0,1,0,0,0,0|1,0,2]=4 8960 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100009816398_100012094781 [0,1,0,0,0,0|2,0,1]=4 8961 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100012094781_100009816398 [0,1,0,0,0,0|2,0,1]=4 8962 B12R0.248 C#CCCCCCSC[C@@H](C)CO 62a_100000059175_100012094781 [0,1,0,0,0,0|1,0,2]=4 8963 B12R0.248 C#CCCCCCSC[C@@H](C)CO 62a_100012094781_100000059175 [0,1,0,0,0,0|1,0,2]=4 8964 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100009815848_100012094781 [0,1,0,0,0,0|1,0,2]=4 8965 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100012094781_100009815848 [0,1,0,0,0,0|1,0,2]=4 8966 B12R0.248 C#CCCCCNCCC(C)CC 2230a_100020591266_100010269958 [0,1,0,0,0,0|2,0,1]=4 8967 B12R0.248 C#CCCCCNCCC(C)CO 2230a_106354213184_100010269958 [0,1,0,0,0,0|1,0,2]=4 8968 B12R0.248 C#CCCCCNCCC(C)CO 34a_106354213184_100010269958 [0,1,0,0,0,0|1,0,2]=4 8969 B12R0.248 C#CCCCCOCCC(C)CC 7a_100011215188_100010269958 [0,1,0,0,0,0|2,0,1]=4 8970 B12R0.248 C#CCCCOCCCC(C)CC 7a_100011216074_100011215417 [0,1,0,0,0,0|2,0,1]=4 8971 B12R0.248 C#CCOCCCCCC(C)CC 7a_200000035636_100000038162 [0,1,0,0,0,0|2,0,1]=4 8972 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,1,0,0,0,0|2,0,1]=4 8973 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,1,0,0,0,0|2,0,1]=4 8974 B12R0.248 C#C[C@@H](C)OCCCCCCCO 34a_100009815206_100000760002 [0,1,0,0,0,0|1,0,2]=4 8975 B12R0.248 C#C[C@@H](C)OCCCCCCCO 7a_100009815206_100000760002 [0,1,0,0,0,0|1,0,2]=4 8976 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,2]=4 8977 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|0,0,3]=4 8978 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,1,0,0,0,0|2,0,1]=4 8979 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,1,0,0,0,0|2,0,1]=4 8980 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [0,1,0,0,0,0|1,0,2]=4 8981 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [0,1,0,0,0,0|1,0,2]=4 8982 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,1,0,0,0,0|2,0,1]=4 8983 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,1,0,0,0,0|1,0,2]=4 8984 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,1,0,0,0,0|2,0,1]=4 8985 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [0,1,0,0,0,0|1,0,2]=4 8986 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,1,0,0,0,0|2,0,1]=4 8987 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,1,0,0,0,0|1,0,2]=4 8988 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,1,0,0,0,0|1,0,2]=4 8989 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,1,0,0,0,0|2,0,1]=4 8990 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,1,0,0,0,0|2,0,1]=4 8991 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,1,0,0,0,0|2,0,1]=4 8992 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,1,0,0,0,0|2,0,1]=4 8993 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,1,0,0,0,0|1,0,2]=4 8994 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,1,0,0,0,0|1,0,2]=4 8995 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,2]=4 8996 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,2]=4 8997 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|0,0,3]=4 8998 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,1,0,0,0,0|2,0,1]=4 8999 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,1,0,0,0,0|2,0,1]=4 9000 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [0,1,0,0,0,0|2,0,1]=4 9001 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [0,1,0,0,0,0|1,0,2]=4 9002 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [0,1,0,0,0,0|2,0,1]=4 9003 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [0,1,0,0,0,0|2,0,1]=4 9004 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [0,1,0,0,0,0|2,0,1]=4 9005 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [0,1,0,0,0,0|1,0,2]=4 9006 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [0,1,0,0,0,0|1,0,2]=4 9007 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [0,1,0,0,0,0|2,0,1]=4 9008 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [0,1,0,0,0,0|2,0,1]=4 9009 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [0,1,0,0,0,0|1,0,2]=4 9010 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [0,1,0,0,0,0|1,0,2]=4 9011 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [0,1,0,0,0,0|1,0,2]=4 9012 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,1,0,0,0,0|2,0,1]=4 9013 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [0,1,0,0,0,0|1,0,2]=4 9014 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,1,0,0,0,0|2,0,1]=4 9015 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [0,1,0,0,0,0|1,0,2]=4 9016 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,1,0,0,0,0|1,0,2]=4 9017 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,1,0,0,0,0|2,0,1]=4 9018 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,1,0,0,0,0|2,0,1]=4 9019 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,1,0,0,0,0|2,0,1]=4 9020 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,1,0,0,0,0|2,0,1]=4 9021 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,1,0,0,0,0|1,0,2]=4 9022 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,1,0,0,0,0|1,0,2]=4 9023 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,1,0,0,0,0|2,0,1]=4 9024 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,1,0,0,0,0|2,0,1]=4 9025 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,1,0,0,0,0|2,0,1]=4 9026 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,1,0,0,0,0|1,0,2]=4 9027 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,1,0,0,0,0|1,0,2]=4 9028 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,1,0,0,0,0|1,0,2]=4 9029 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,1,0,0,0,0|1,0,2]=4 9030 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,1,0,0,0,0|2,0,1]=4 9031 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,1,0,0,0,0|2,0,1]=4 9032 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,1,0,0,0,0|2,0,1]=4 9033 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,1,0,0,0,0|2,0,1]=4 9034 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,1,0,0,0,0|1,0,2]=4 9035 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,1,0,0,0,0|1,0,2]=4 9036 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,1,0,0,0,0|2,0,1]=4 9037 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,1,0,0,0,0|2,0,1]=4 9038 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [0,1,0,0,0,0|1,0,2]=4 9039 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [0,1,0,0,0,0|1,0,2]=4 9040 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,1,0,0,0,0|1,0,2]=4 9041 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,1,0,0,0,0|1,0,2]=4 9042 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,1,0,0,0,0|2,0,1]=4 9043 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [0,1,0,0,0,0|1,0,2]=4 9044 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [0,1,0,0,0,0|1,0,2]=4 9045 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,1,0,0,0,0|2,0,1]=4 9046 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,1,0,0,0,0|2,0,1]=4 9047 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,1,0,0,0,0|2,0,1]=4 9048 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [0,1,0,0,0,0|2,0,1]=4 9049 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [0,1,0,0,0,0|1,0,2]=4 9050 B12R0.248 CC(C#N)NCCCCCCCO 2230a_100000737613_100000760002 [0,1,0,0,0,0|2,0,1]=4 9051 B12R0.248 CC(C#N)NCCCCCCCO 2230a_100011996573_100000184139 [0,1,0,0,0,0|2,0,1]=4 9052 B12R0.248 CC(C#N)OCCCCCCCO 34a_100011218135_100000760002 [0,1,0,0,0,0|2,0,1]=4 9053 B12R0.248 CC(C#N)SCCCCCCCO 62a_100000703298_100000760002 [0,1,0,0,0,0|2,0,1]=4 9054 B12R0.248 CC(C#N)SCCCCCCCO 62a_100000760002_100000703298 [0,1,0,0,0,0|2,0,1]=4 9055 B12R0.248 CC(CF)OCCCCCCCO 34a_100016041109_100000760002 [0,1,0,0,0,0|2,0,0]=3 9056 B12R0.248 CC(CF)OCCCCCCCO 7a_100016041109_100000760002 [0,1,0,0,0,0|2,0,0]=3 9057 B12R0.248 CC(CN)COCCCCCCF 34a_100000744482_100015922095 [0,1,0,0,0,0|3,0,0]=4 9058 B12R0.248 CC(CN)COCCCCCCO 34a_100000744482_100000766143 [0,1,0,0,0,0|2,0,0]=3 9059 B12R0.248 CC(CN)OCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|2,0,0]=3 9060 B12R0.248 CC(CO)CCNCCCCC#N 2230a_106354213184_100000211819 [0,1,0,0,0,0|2,0,1]=4 9061 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [0,1,0,0,0,0|2,0,1]=4 9062 B12R0.248 CC(CO)CCNCCCCCF 2230a_106354213184_100000729378 [0,1,0,0,0,0|2,0,0]=3 9063 B12R0.248 CC(CO)CCNCCCCCF 34a_106354213184_100000729378 [0,1,0,0,0,0|2,0,0]=3 9064 B12R0.248 CC(CO)CCNCCCCCO 2230a_106354213184_100000746330 [0,1,0,0,0,0|2,0,0]=3 9065 B12R0.248 CC(CO)CCNCCCCCO 34a_106354213184_100000746330 [0,1,0,0,0,0|2,0,0]=3 9066 B12R0.248 CC(CO)CCNCCOCCO 2230a_106354213184_100011215305 [0,1,0,0,0,0|3,0,0]=4 9067 B12R0.248 CC(CO)CCNCCOCCO 34a_106354213184_100000692535 [0,1,0,0,0,0|3,0,0]=4 9068 B12R0.248 CC(CO)CNCCCCCCF 34a_100000744482_100015922095 [0,1,0,0,0,0|2,0,0]=3 9069 B12R0.248 CC(CO)CNCCCCCCO 34a_100000744482_100000766143 [0,1,0,0,0,0|2,0,0]=3 9070 B12R0.248 CC(CO)NCCCCCCCO 2230a_100011996573_100012180447 [0,1,0,0,0,0|2,0,0]=3 9071 B12R0.248 CC(CO)NCCCCCCCO 34a_100011996573_100012180447 [0,1,0,0,0,0|2,0,0]=3 9072 B12R0.248 CC(CO)NCCCOCCCO 2230a_100011310245_100012180447 [0,1,0,0,0,0|3,0,0]=4 9073 B12R0.248 CC(CO)NCCCOCCCO 34a_100011310245_100012180447 [0,1,0,0,0,0|3,0,0]=4 9074 B12R0.248 CC(CO)OCCCCCCCBr 34a_100000760002_100012180447 [0,1,0,0,0,0|2,0,0]=3 9075 B12R0.248 CC(CO)OCCCCCCCBr 7a_100000760002_100012180447 [0,1,0,0,0,0|2,0,0]=3 9076 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,1,0,0,0,0|2,0,0]=3 9077 B12R0.248 CC(CO)OCCCOCCCN 34a_100011310245_100012180447 [0,1,0,0,0,0|3,0,0]=4 9078 B12R0.248 CC(CO)SCCCCCCC#N 62a_100012180447_100009813337 [0,1,0,0,0,0|2,0,1]=4 9079 B12R0.248 CC(CO)SCCCCCCCO 62a_100012180447_100000760002 [0,1,0,0,0,0|2,0,0]=3 9080 B12R0.248 CC/C=C/CCCOCC(O)CO 34a_100016287902_100011219619 [0,1,0,0,0,0|1,0,2]=4 9081 B12R0.248 CC/C=C/CCCOCC(O)CO 7a_100016287902_100011219619 [0,1,0,0,0,0|1,0,2]=4 9082 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 34a_100016287902_100000059175 [0,1,0,0,0,0|1,0,2]=4 9083 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 7a_100016287902_100000059175 [0,1,0,0,0,0|1,0,2]=4 9084 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 34a_100016287902_100009815848 [0,1,0,0,0,0|1,0,2]=4 9085 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 7a_100016287902_100009815848 [0,1,0,0,0,0|1,0,2]=4 9086 B12R0.248 CC/C=C\CCCCOC(C)CO 34a_100016287862_100012180447 [0,1,0,0,0,0|1,0,2]=4 9087 B12R0.248 CC/C=C\CCCCOC(C)CO 7a_100016287862_100012180447 [0,1,0,0,0,0|1,0,2]=4 9088 B12R0.248 CC/C=C\CCNCCC(C)CO 2230a_106354213184_100015370543 [0,1,0,0,0,0|1,0,2]=4 9089 B12R0.248 CC/C=C\CCNCCC(C)CO 34a_106354213184_100015370543 [0,1,0,0,0,0|1,0,2]=4 9090 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|0,0,1]=2 9091 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [0,1,0,0,0,0|2,0,1]=4 9092 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [0,1,0,0,0,0|2,0,1]=4 9093 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,1,0,0,0,0|2,0,1]=4 9094 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,1,0,0,0,0|2,0,1]=4 9095 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,1,0,0,0,0|2,0,1]=4 9096 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,1,0,0,0,0|2,0,1]=4 9097 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,1,0,0,0,0|1,0,1]=3 9098 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,1,0,0,0,0|2,0,1]=4 9099 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,1,0,0,0,0|2,0,1]=4 9100 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,1,0,0,0,0|1,0,1]=3 9101 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,1,0,0,0,0|1,0,1]=3 9102 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,1,0,0,0,0|1,0,1]=3 9103 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,1,0,0,0,0|2,0,1]=4 9104 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,1,0,0,0,0|2,0,1]=4 9105 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,1,0,0,0,0|2,0,1]=4 9106 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,1,0,0,0,0|2,0,1]=4 9107 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,1,0,0,0,0|2,0,1]=4 9108 B12R0.248 CCC(C)CCCCCOCC#N 7a_200000035636_100011215382 [0,1,0,0,0,0|2,0,1]=4 9109 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [0,1,0,0,0,0|1,0,2]=4 9110 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,1,0,0,0,0|2,0,0]=3 9111 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,1,0,0,0,0|1,0,0]=2 9112 B12R0.248 CCC(C)CCCOCC#CCO 7a_100011216074_200000047223 [0,1,0,0,0,0|1,0,2]=4 9113 B12R0.248 CCC(C)CCCOCCCC#N 7a_100011216074_100000687738 [0,1,0,0,0,0|2,0,1]=4 9114 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,1,0,0,0,0|1,0,2]=4 9115 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [0,1,0,0,0,0|2,0,0]=3 9116 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,1,0,0,0,0|1,0,0]=2 9117 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [0,1,0,0,0,0|3,0,0]=4 9118 B12R0.248 CCC(C)CCNCCCCC#N 2230a_100020591266_100000211819 [0,1,0,0,0,0|2,0,1]=4 9119 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,1,0,0,0,0|1,0,2]=4 9120 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [0,1,0,0,0,0|2,0,0]=3 9121 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,1,0,0,0,0|1,0,0]=2 9122 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [0,1,0,0,0,0|3,0,0]=4 9123 B12R0.248 CCC(C)CCNCCOCCO 2230a_100020591266_100011215305 [0,1,0,0,0,0|2,0,0]=3 9124 B12R0.248 CCC(C)CCOCCCCC#N 7a_100011215188_100000211819 [0,1,0,0,0,0|2,0,1]=4 9125 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,1,0,0,0,0|1,0,2]=4 9126 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [0,1,0,0,0,0|2,0,0]=3 9127 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,1,0,0,0,0|1,0,0]=2 9128 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [0,1,0,0,0,0|3,0,0]=4 9129 B12R0.248 CCC(C)CCOCCOCCO 7a_100011215188_100011215305 [0,1,0,0,0,0|2,0,0]=3 9130 B12R0.248 CCC(C)CNCCCCCC#N 2230a_100020588543_100009813376 [0,1,0,0,0,0|2,0,1]=4 9131 B12R0.248 CCC(C)CNCCCCCC#N 270004a_100000061152_100000243153 [0,1,0,0,0,0|2,0,1]=4 9132 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,1,0,0,0,0|1,0,2]=4 9133 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [0,1,0,0,0,0|2,0,0]=3 9134 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,1,0,0,0,0|1,0,0]=2 9135 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,1,0,0,0,0|1,0,0]=2 9136 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,1,0,0,0,0|1,0,0]=2 9137 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,1,0,0,0,0|1,0,0]=2 9138 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,1,0,0,0,0|3,0,0]=4 9139 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,1,0,0,0,0|3,0,0]=4 9140 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,1,0,0,0,0|3,0,0]=4 9141 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [0,1,0,0,0,0|2,0,0]=3 9142 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [0,1,0,0,0,0|2,0,0]=3 9143 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [0,1,0,0,0,0|2,0,0]=3 9144 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [0,1,0,0,0,0|2,0,0]=3 9145 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [0,1,0,0,0,0|2,0,0]=3 9146 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [0,1,0,0,0,0|2,0,0]=3 9147 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,1,0,0,0,0|2,0,0]=3 9148 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,1,0,0,0,0|3,0,0]=4 9149 B12R0.248 CCC(C)CSCCCCCC#N 62a_100000748023_100009813376 [0,1,0,0,0,0|2,0,1]=4 9150 B12R0.248 CCC(C)CSCCCCCC#N 62a_100009813376_100000748023 [0,1,0,0,0,0|2,0,1]=4 9151 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,1,0,0,0,0|1,0,2]=4 9152 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,1,0,0,0,0|1,0,2]=4 9153 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [0,1,0,0,0,0|2,0,0]=3 9154 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [0,1,0,0,0,0|2,0,0]=3 9155 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,1,0,0,0,0|1,0,0]=2 9156 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,1,0,0,0,0|1,0,0]=2 9157 B12R0.248 CCC(C)NCCCCCCC#N 2230a_100000209981_100009813337 [0,1,0,0,0,0|2,0,1]=4 9158 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,1,0,0,0,0|1,0,0]=2 9159 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,1,0,0,0,0|1,0,0]=2 9160 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,1,0,0,0,0|1,0,0]=2 9161 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [0,1,0,0,0,0|3,0,0]=4 9162 B12R0.248 CCC(C)NCCCOCCCO 2230a_100011310245_100000758301 [0,1,0,0,0,0|2,0,0]=3 9163 B12R0.248 CCC(C)NCCCOCCCO 34a_100011310245_100011215416 [0,1,0,0,0,0|2,0,0]=3 9164 B12R0.248 CCC(C)OCCCCCCC#N 7a_100000210228_100009813337 [0,1,0,0,0,0|2,0,1]=4 9165 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,1,0,0,0,0|2,0,0]=3 9166 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,1,0,0,0,0|2,0,0]=3 9167 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,1,0,0,0,0|2,0,0]=3 9168 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,1,0,0,0,0|1,0,0]=2 9169 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,1,0,0,0,0|3,0,0]=4 9170 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,1,0,0,0,0|3,0,0]=4 9171 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,1,0,0,0,0|3,0,0]=4 9172 B12R0.248 CCC(C)OCCCOCCCN 34a_100011310245_100011215416 [0,1,0,0,0,0|3,0,0]=4 9173 B12R0.248 CCC(C)SCCCCCCC#N 62a_100000758301_100009813337 [0,1,0,0,0,0|2,0,1]=4 9174 B12R0.248 CCC(C)SCCCCCCC#N 62a_100009813337_100000758301 [0,1,0,0,0,0|2,0,1]=4 9175 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,1,0,0,0,0|1,0,0]=2 9176 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,1,0,0,0,0|1,0,0]=2 9177 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [0,1,0,0,0,0|3,0,0]=4 9178 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [0,1,0,0,0,0|3,0,0]=4 9179 B12R0.248 CCC(O)CNCCCCCC#N 2230a_100011218483_100009813376 [0,1,0,0,0,0|2,0,1]=4 9180 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,1,0,0,0,0|1,0,2]=4 9181 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,1,0,0,0,0|2,0,0]=3 9182 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,1,0,0,0,0|1,0,0]=2 9183 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,1,0,0,0,0|1,0,0]=2 9184 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,1,0,0,0,0|1,0,0]=2 9185 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,1,0,0,0,0|3,0,0]=4 9186 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,1,0,0,0,0|3,0,0]=4 9187 B12R0.248 CCC(O)CNN=CCCCCO 4a_100015206393_100000031955 [0,1,0,0,0,0|2,0,1]=4 9188 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,1,0,0,0,0|2,0,0]=3 9189 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,1,0,0,0,0|2,0,0]=3 9190 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,1,0,0,0,0|2,0,0]=3 9191 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,1,0,0,0,0|2,0,0]=3 9192 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,1,0,0,0,0|2,0,0]=3 9193 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,1,0,0,0,0|2,0,0]=3 9194 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,1,0,0,0,0|2,0,0]=3 9195 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,1,0,0,0,0|3,0,0]=4 9196 B12R0.248 CCC(O)CSCCCCCC#N 62a_100009813376_100011218378 [0,1,0,0,0,0|2,0,1]=4 9197 B12R0.248 CCC(O)CSCCCCCC#N 62a_100011218378_100009813376 [0,1,0,0,0,0|2,0,1]=4 9198 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,1,0,0,0,0|1,0,2]=4 9199 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,1,0,0,0,0|1,0,2]=4 9200 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,1,0,0,0,0|2,0,0]=3 9201 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,1,0,0,0,0|2,0,0]=3 9202 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,1,0,0,0,0|1,0,0]=2 9203 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,1,0,0,0,0|1,0,0]=2 9204 B12R0.248 CCCC#CCCOCC(O)CO 34a_100000042726_100011219619 [0,1,0,0,0,0|1,0,2]=4 9205 B12R0.248 CCCC#CCCOCC(O)CO 7a_100000042726_100011219619 [0,1,0,0,0,0|1,0,2]=4 9206 B12R0.248 CCCC#CCCOC[C@@H](C)CO 34a_100000042726_100000059175 [0,1,0,0,0,0|1,0,2]=4 9207 B12R0.248 CCCC#CCCOC[C@@H](C)CO 7a_100000042726_100000059175 [0,1,0,0,0,0|1,0,2]=4 9208 B12R0.248 CCCC#CCCOC[C@@H](O)CO 34a_100000042726_100009815848 [0,1,0,0,0,0|1,0,2]=4 9209 B12R0.248 CCCC#CCCOC[C@@H](O)CO 7a_100000042726_100009815848 [0,1,0,0,0,0|1,0,2]=4 9210 B12R0.248 CCCC/C=C/COCC(O)CO 34a_200016272032_100011219619 [0,1,0,0,0,0|1,0,2]=4 9211 B12R0.248 CCCC/C=C/COCC(O)CO 7a_200016272032_100011219619 [0,1,0,0,0,0|1,0,2]=4 9212 B12R0.248 CCCC/C=C/COC[C@@H](C)CO 34a_200016272032_100000059175 [0,1,0,0,0,0|1,0,2]=4 9213 B12R0.248 CCCC/C=C/COC[C@@H](C)CO 7a_200016272032_100000059175 [0,1,0,0,0,0|1,0,2]=4 9214 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 34a_200016272032_100009815848 [0,1,0,0,0,0|1,0,2]=4 9215 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 7a_200016272032_100009815848 [0,1,0,0,0,0|1,0,2]=4 9216 B12R0.248 CCCC/C=C\CCOC(C)CO 34a_200016286491_100012180447 [0,1,0,0,0,0|1,0,2]=4 9217 B12R0.248 CCCC/C=C\CCOC(C)CO 7a_200016286491_100012180447 [0,1,0,0,0,0|1,0,2]=4 9218 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,0,0,0,0|0,0,3]=4 9219 B12R0.248 CCCCC#CCCOC(C)CO 34a_100000037610_100012180447 [0,1,0,0,0,0|1,0,2]=4 9220 B12R0.248 CCCCC#CCCOC(C)CO 7a_100000037610_100012180447 [0,1,0,0,0,0|1,0,2]=4 9221 B12R0.248 CCCCC#CCOCC(O)CO 34a_200000034558_100011219619 [0,1,0,0,0,0|1,0,2]=4 9222 B12R0.248 CCCCC#CCOCC(O)CO 7a_200000034558_100011219619 [0,1,0,0,0,0|1,0,2]=4 9223 B12R0.248 CCCCC#CCOC[C@@H](C)CO 34a_200000034558_100000059175 [0,1,0,0,0,0|1,0,2]=4 9224 B12R0.248 CCCCC#CCOC[C@@H](C)CO 7a_200000034558_100000059175 [0,1,0,0,0,0|1,0,2]=4 9225 B12R0.248 CCCCC#CCOC[C@@H](O)CO 34a_200000034558_100009815848 [0,1,0,0,0,0|1,0,2]=4 9226 B12R0.248 CCCCC#CCOC[C@@H](O)CO 7a_200000034558_100009815848 [0,1,0,0,0,0|1,0,2]=4 9227 B12R0.248 CCCCC/C=C/COC(C)CO 34a_100016258190_100012180447 [0,1,0,0,0,0|1,0,2]=4 9228 B12R0.248 CCCCC/C=C/COC(C)CO 7a_100016258190_100012180447 [0,1,0,0,0,0|1,0,2]=4 9229 B12R0.248 CCCCCC#CCN[C@H](C)CO 2230a_100000737577_100009816472 [0,1,0,0,0,0|1,0,2]=4 9230 B12R0.248 CCCCCC#CCOC(C)CO 34a_200000033628_100012180447 [0,1,0,0,0,0|1,0,2]=4 9231 B12R0.248 CCCCCC#CCOC(C)CO 7a_200000033628_100012180447 [0,1,0,0,0,0|1,0,2]=4 9232 B12R0.248 CCCCCC#CCSC(C)CO 62a_100012180447_100009816472 [0,1,0,0,0,0|1,0,2]=4 9233 B12R0.248 CCCCCC#CCS[C@H](C)CO 62a_100009816472_100016084084 [0,1,0,0,0,0|1,0,2]=4 9234 B12R0.248 CCCCCC#CCS[C@H](C)CO 62a_100016084084_100009816472 [0,1,0,0,0,0|1,0,2]=4 9235 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,1]=3 9236 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,1]=3 9237 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,1]=3 9238 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,1]=2 9239 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|2,0,1]=4 9240 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 9241 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 9242 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 9243 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,1,0,0,0,0|2,0,0]=3 9244 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|2,0,0]=3 9245 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|2,0,0]=3 9246 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|2,0,0]=3 9247 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|2,0,0]=3 9248 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,1,0,0,0,0|2,0,0]=3 9249 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,1,0,0,0,0|2,0,0]=3 9250 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,1,0,0,0,0|2,0,0]=3 9251 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,1,0,0,0,0|2,0,0]=3 9252 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,1,0,0,0,0|2,0,0]=3 9253 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 9254 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 9255 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 9256 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|2,0,1]=4 9257 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,1]=3 9258 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,1]=3 9259 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000229939_100000184139 [0,1,0,0,0,0|2,0,1]=4 9260 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000737613_100000210759 [0,1,0,0,0,0|2,0,1]=4 9261 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,1,0,0,0,0|2,0,0]=3 9262 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,1,0,0,0,0|2,0,0]=3 9263 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,1,0,0,0,0|2,0,0]=3 9264 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,1,0,0,0,0|1,0,0]=2 9265 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,1,0,0,0,0|1,0,0]=2 9266 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,1,0,0,0,0|1,0,0]=2 9267 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,1,0,0,0,0|2,0,1]=4 9268 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,1,0,0,0,0|2,0,1]=4 9269 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,1,0,0,0,0|2,0,0]=3 9270 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,1,0,0,0,0|2,0,0]=3 9271 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,1,0,0,0,0|2,0,0]=3 9272 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,1,0,0,0,0|2,0,0]=3 9273 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,1,0,0,0,0|2,0,0]=3 9274 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,1,0,0,0,0|2,0,0]=3 9275 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,1,0,0,0,0|1,0,0]=2 9276 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,1,0,0,0,0|1,0,0]=2 9277 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000210759_100000703298 [0,1,0,0,0,0|2,0,1]=4 9278 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000703298_100000210317 [0,1,0,0,0,0|2,0,1]=4 9279 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,1,0,0,0,0|2,0,0]=3 9280 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,1,0,0,0,0|2,0,0]=3 9281 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,1,0,0,0,0|1,0,0]=2 9282 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,1,0,0,0,0|3,0,0]=4 9283 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,1,0,0,0,0|3,0,0]=4 9284 B12R0.248 CCCCCCCCSC(F)C#N 62a_100000210759_200000117898 [0,1,0,0,0,0|2,0,1]=4 9285 B12R0.248 CCCCCCCCSC(F)C#N 62a_200000117898_100000210317 [0,1,0,0,0,0|2,0,1]=4 9286 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,1,0,0,0,0|1,0,0]=2 9287 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,1,0,0,0,0|1,0,0]=2 9288 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,1,0,0,0,0|2,0,0]=3 9289 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,1,0,0,0,0|2,0,0]=3 9290 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,1,0,0,0,0|2,0,0]=3 9291 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,1,0,0,0,0|1,0,0]=2 9292 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,1,0,0,0,0|2,0,0]=3 9293 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,1,0,0,0,0|2,0,0]=3 9294 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,1,0,0,0,0|1,0,0]=2 9295 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,1,0,0,0,0|2,0,0]=3 9296 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,1,0,0,0,0|1,0,0]=2 9297 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,1,0,0,0,0|3,0,0]=4 9298 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,1,0,0,0,0|1,0,0]=2 9299 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,1,0,0,0,0|2,0,0]=3 9300 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,1,0,0,0,0|1,0,0]=2 9301 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,1,0,0,0,0|1,0,0]=2 9302 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|2,0,1]=4 9303 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|2,0,1]=4 9304 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,1,0,0,0,0|2,0,0]=3 9305 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,1,0,0,0,0|2,0,0]=3 9306 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,1,0,0,0,0|2,0,0]=3 9307 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,1,0,0,0,0|3,0,0]=4 9308 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,1,0,0,0,0|2,0,0]=3 9309 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,1,0,0,0,0|2,0,0]=3 9310 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,1,0,0,0,0|2,0,0]=3 9311 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,1,0,0,0,0|1,0,0]=2 9312 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,1,0,0,0,0|1,0,0]=2 9313 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,1,0,0,0,0|2,0,0]=3 9314 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,1,0,0,0,0|2,0,0]=3 9315 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,1,0,0,0,0|2,0,0]=3 9316 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,1,0,0,0,0|1,0,0]=2 9317 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,1,0,0,0,0|1,0,0]=2 9318 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,1,0,0,0,0|2,0,0]=3 9319 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,1,0,0,0,0|2,0,0]=3 9320 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,1,0,0,0,0|1,0,0]=2 9321 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,1,0,0,0,0|1,0,0]=2 9322 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,1,0,0,0,0|2,0,0]=3 9323 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|2,0,1]=4 9324 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|2,0,1]=4 9325 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,1,0,0,0,0|2,0,0]=3 9326 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,1,0,0,0,0|2,0,0]=3 9327 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,1,0,0,0,0|2,0,0]=3 9328 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,1,0,0,0,0|2,0,0]=3 9329 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,1,0,0,0,0|1,0,0]=2 9330 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,1,0,0,0,0|1,0,0]=2 9331 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,1,0,0,0,0|2,0,0]=3 9332 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,1,0,0,0,0|2,0,0]=3 9333 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,1,0,0,0,0|1,0,0]=2 9334 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,1,0,0,0,0|1,0,0]=2 9335 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,1,0,0,0,0|2,0,0]=3 9336 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,1,0,0,0,0|2,0,0]=3 9337 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,1,0,0,0,0|1,0,0]=2 9338 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,1,0,0,0,0|1,0,0]=2 9339 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,1,0,0,0,0|2,0,0]=3 9340 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,1,0,0,0,0|1,0,0]=2 9341 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,1,0,0,0,0|1,0,0]=2 9342 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,1,0,0,0,0|2,0,1]=4 9343 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,1,0,0,0,0|2,0,0]=3 9344 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,1,0,0,0,0|3,0,0]=4 9345 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [0,1,0,0,0,0|3,0,0]=4 9346 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,1,0,0,0,0|3,0,0]=4 9347 B12R0.248 CCCCCNCCOC(C)CO 34a_100000224656_100012180447 [0,1,0,0,0,0|2,0,0]=3 9348 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,1,0,0,0,0|2,0,0]=3 9349 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [0,1,0,0,0,0|3,0,0]=4 9350 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [0,1,0,0,0,0|2,0,0]=3 9351 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,1,0,0,0,0|3,0,0]=4 9352 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,1,0,0,0,0|3,0,0]=4 9353 B12R0.248 CCCCCOCCOC(C)CO 34a_100011215259_100012180447 [0,1,0,0,0,0|2,0,0]=3 9354 B12R0.248 CCCCCOCCOC(C)CO 7a_100011215259_100012180447 [0,1,0,0,0,0|2,0,0]=3 9355 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [0,1,0,0,0,0|3,0,0]=4 9356 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,0,0,0,0|2,0,1]=4 9357 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,0,0,0,0|2,0,1]=4 9358 B12R0.248 CCCCOCCCNC(C)CC 2230a_200000211371_100000758301 [0,1,0,0,0,0|3,0,0]=4 9359 B12R0.248 CCCCOCCCNC(C)CC 34a_200000211371_100011215416 [0,1,0,0,0,0|3,0,0]=4 9360 B12R0.248 CCCCOCCCNC(C)CO 2230a_200000211371_100012180447 [0,1,0,0,0,0|2,0,0]=3 9361 B12R0.248 CCCCOCCCNC(C)CO 34a_200000211371_100012180447 [0,1,0,0,0,0|2,0,0]=3 9362 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,1,0,0,0,0|3,0,0]=4 9363 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,1,0,0,0,0|3,0,0]=4 9364 B12R0.248 CCCCOCCCOC(C)CO 34a_200011215613_100012180447 [0,1,0,0,0,0|2,0,0]=3 9365 B12R0.248 CCCCOCCCOC(C)CO 7a_200011215613_100012180447 [0,1,0,0,0,0|2,0,0]=3 9366 B12R0.248 CCCCOCCNCC(C)CC 2230a_100020588543_100000743108 [0,1,0,0,0,0|3,0,0]=4 9367 B12R0.248 CCCCOCCNCC(C)CO 34a_100000744482_100000743108 [0,1,0,0,0,0|2,0,0]=3 9368 B12R0.248 CCCCOCCNCC(O)CC 2230a_100011218483_100000743108 [0,1,0,0,0,0|3,0,0]=4 9369 B12R0.248 CCCCOCCNC[C@@H](F)CO 34a_100015665980_100000743108 [0,1,0,0,0,0|2,0,0]=3 9370 B12R0.248 CCCCOCCNC[C@H](O)CO 2230a_100020644852_100000743108 [0,1,0,0,0,0|2,0,0]=3 9371 B12R0.248 CCCCOCCOCC(C)CC 34a_100000210238_100000748023 [0,1,0,0,0,0|3,0,0]=4 9372 B12R0.248 CCCCOCCOCC(C)CC 7a_100000210238_100000748023 [0,1,0,0,0,0|3,0,0]=4 9373 B12R0.248 CCCCOCCOCC(C)CN 34a_100000744482_100000743108 [0,1,0,0,0,0|3,0,0]=4 9374 B12R0.248 CCCCOCCOCC(Cl)CCl 34a_100000033668_100000743108 [0,1,0,0,0,0|3,0,0]=4 9375 B12R0.248 CCCCOCCOCC(O)CC 34a_100000210238_100011218378 [0,1,0,0,0,0|3,0,0]=4 9376 B12R0.248 CCCCOCCOCC(O)CC 7a_100000210238_100011218378 [0,1,0,0,0,0|3,0,0]=4 9377 B12R0.248 CCCCOCCOCC(O)CO 34a_100000210238_100011219619 [0,1,0,0,0,0|2,0,0]=3 9378 B12R0.248 CCCCOCCOCC(O)CO 7a_100000210238_100011219619 [0,1,0,0,0,0|2,0,0]=3 9379 B12R0.248 CCCCOCCOC[C@@H](C)CC 34a_100000210238_100009816398 [0,1,0,0,0,0|3,0,0]=4 9380 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100000210238_100009816398 [0,1,0,0,0,0|3,0,0]=4 9381 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100009816381_100000743108 [0,1,0,0,0,0|3,0,0]=4 9382 B12R0.248 CCCCOCCOC[C@@H](C)CO 34a_100000210238_100000059175 [0,1,0,0,0,0|2,0,0]=3 9383 B12R0.248 CCCCOCCOC[C@@H](C)CO 7a_100000210238_100000059175 [0,1,0,0,0,0|2,0,0]=3 9384 B12R0.248 CCCCOCCOC[C@@H](O)CF 34a_100000210238_100015614560 [0,1,0,0,0,0|3,0,0]=4 9385 B12R0.248 CCCCOCCOC[C@@H](O)CF 7a_100000210238_100015614560 [0,1,0,0,0,0|3,0,0]=4 9386 B12R0.248 CCCCOCCOC[C@@H](O)CO 34a_100000210238_100009815848 [0,1,0,0,0,0|2,0,0]=3 9387 B12R0.248 CCCCOCCOC[C@@H](O)CO 7a_100000210238_100009815848 [0,1,0,0,0,0|2,0,0]=3 9388 B12R0.248 CCCCOCCOC[C@H](F)CN 34a_100015665980_100000743108 [0,1,0,0,0,0|3,0,0]=4 9389 B12R0.248 CCCCOCCSCC(C)CC 62a_100000743108_100000748023 [0,1,0,0,0,0|3,0,0]=4 9390 B12R0.248 CCCCOCCSCC(C)CC 62a_100000748023_100000743108 [0,1,0,0,0,0|3,0,0]=4 9391 B12R0.248 CCCCOCCSCC(O)CC 62a_100000743108_100011218378 [0,1,0,0,0,0|3,0,0]=4 9392 B12R0.248 CCCCOCCSCC(O)CC 62a_100011218378_100000743108 [0,1,0,0,0,0|3,0,0]=4 9393 B12R0.248 CCCCOCCSCC(O)CO 62a_100000743108_100011219619 [0,1,0,0,0,0|2,0,0]=3 9394 B12R0.248 CCCCOCCSCC(O)CO 62a_100011219619_100000743108 [0,1,0,0,0,0|2,0,0]=3 9395 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100000743108_100009816398 [0,1,0,0,0,0|3,0,0]=4 9396 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100009816398_100000743108 [0,1,0,0,0,0|3,0,0]=4 9397 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000059175_100000743108 [0,1,0,0,0,0|2,0,0]=3 9398 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000743108_100000059175 [0,1,0,0,0,0|2,0,0]=3 9399 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100000743108_100015614560 [0,1,0,0,0,0|3,0,0]=4 9400 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100015614560_100000743108 [0,1,0,0,0,0|3,0,0]=4 9401 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100000743108_100009815848 [0,1,0,0,0,0|2,0,0]=3 9402 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100009815848_100000743108 [0,1,0,0,0,0|2,0,0]=3 9403 B12R0.248 CCCCOCNCCC(C)CC 2230a_100020591266_100011995733 [0,1,0,0,0,0|3,0,0]=4 9404 B12R0.248 CCCCOCNCCC(C)CO 2230a_106354213184_100011995733 [0,1,0,0,0,0|2,0,0]=3 9405 B12R0.248 CCCCOCNCCC(C)CO 34a_106354213184_100011995733 [0,1,0,0,0,0|2,0,0]=3 9406 B12R0.248 CCCCSCCNCC(C)CC 2230a_100025743550_100000748023 [0,1,0,0,0,0|3,0,0]=4 9407 B12R0.248 CCCCSCCNCC(C)CC 270004a_100025743550_100000243153 [0,1,0,0,0,0|3,0,0]=4 9408 B12R0.248 CCCCSCCNCC(O)CC 2230a_100025743550_100011218378 [0,1,0,0,0,0|3,0,0]=4 9409 B12R0.248 CCCCSCCNCC(O)CO 2230a_100025743550_100011219619 [0,1,0,0,0,0|2,0,0]=3 9410 B12R0.248 CCCCSCCNC[C@@H](C)CC 2230a_100025743550_100009816398 [0,1,0,0,0,0|3,0,0]=4 9411 B12R0.248 CCCCSCCNC[C@@H](C)CO 2230a_100025743550_100000059175 [0,1,0,0,0,0|2,0,0]=3 9412 B12R0.248 CCCCSCCNC[C@@H](O)CF 2230a_100025743550_100015614560 [0,1,0,0,0,0|3,0,0]=4 9413 B12R0.248 CCCCSCCNC[C@@H](O)CO 2230a_100025743550_100009815848 [0,1,0,0,0,0|2,0,0]=3 9414 B12R0.248 CCCCSCCOCC(C)CC 34a_200000230436_100000748023 [0,1,0,0,0,0|3,0,0]=4 9415 B12R0.248 CCCCSCCOCC(C)CC 7a_200000230436_100000748023 [0,1,0,0,0,0|3,0,0]=4 9416 B12R0.248 CCCCSCCOCC(O)CC 34a_200000230436_100011218378 [0,1,0,0,0,0|3,0,0]=4 9417 B12R0.248 CCCCSCCOCC(O)CC 7a_200000230436_100011218378 [0,1,0,0,0,0|3,0,0]=4 9418 B12R0.248 CCCCSCCOCC(O)CO 34a_200000230436_100011219619 [0,1,0,0,0,0|2,0,0]=3 9419 B12R0.248 CCCCSCCOCC(O)CO 7a_200000230436_100011219619 [0,1,0,0,0,0|2,0,0]=3 9420 B12R0.248 CCCCSCCOC[C@@H](C)CC 34a_200000230436_100009816398 [0,1,0,0,0,0|3,0,0]=4 9421 B12R0.248 CCCCSCCOC[C@@H](C)CC 7a_200000230436_100009816398 [0,1,0,0,0,0|3,0,0]=4 9422 B12R0.248 CCCCSCCOC[C@@H](C)CO 34a_200000230436_100000059175 [0,1,0,0,0,0|2,0,0]=3 9423 B12R0.248 CCCCSCCOC[C@@H](C)CO 7a_200000230436_100000059175 [0,1,0,0,0,0|2,0,0]=3 9424 B12R0.248 CCCCSCCOC[C@@H](O)CF 34a_200000230436_100015614560 [0,1,0,0,0,0|3,0,0]=4 9425 B12R0.248 CCCCSCCOC[C@@H](O)CF 7a_200000230436_100015614560 [0,1,0,0,0,0|3,0,0]=4 9426 B12R0.248 CCCCSCCOC[C@@H](O)CO 34a_200000230436_100009815848 [0,1,0,0,0,0|2,0,0]=3 9427 B12R0.248 CCCCSCCOC[C@@H](O)CO 7a_200000230436_100009815848 [0,1,0,0,0,0|2,0,0]=3 9428 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,1,0,0,0,0|2,0,0]=3 9429 B12R0.248 CCCOCCCNCC(C)CC 2230a_100011217757_100000748023 [0,1,0,0,0,0|3,0,0]=4 9430 B12R0.248 CCCOCCCNCC(C)CC 270004a_100011217757_100000243153 [0,1,0,0,0,0|3,0,0]=4 9431 B12R0.248 CCCOCCCNCC(C)CC 34a_100011217757_100000748023 [0,1,0,0,0,0|3,0,0]=4 9432 B12R0.248 CCCOCCCNCC(O)CC 2230a_100011217757_100011218378 [0,1,0,0,0,0|3,0,0]=4 9433 B12R0.248 CCCOCCCNCC(O)CC 34a_100011217757_100011218378 [0,1,0,0,0,0|3,0,0]=4 9434 B12R0.248 CCCOCCCNCC(O)CO 2230a_100011217757_100011219619 [0,1,0,0,0,0|2,0,0]=3 9435 B12R0.248 CCCOCCCNCC(O)CO 34a_100011217757_100011219619 [0,1,0,0,0,0|2,0,0]=3 9436 B12R0.248 CCCOCCCNC[C@@H](C)CC 2230a_100011217757_100009816398 [0,1,0,0,0,0|3,0,0]=4 9437 B12R0.248 CCCOCCCNC[C@@H](C)CC 34a_100011217757_100009816398 [0,1,0,0,0,0|3,0,0]=4 9438 B12R0.248 CCCOCCCNC[C@@H](C)CO 2230a_100011217757_100000059175 [0,1,0,0,0,0|2,0,0]=3 9439 B12R0.248 CCCOCCCNC[C@@H](C)CO 34a_100011217757_100000059175 [0,1,0,0,0,0|2,0,0]=3 9440 B12R0.248 CCCOCCCNC[C@@H](O)CF 2230a_100011217757_100015614560 [0,1,0,0,0,0|3,0,0]=4 9441 B12R0.248 CCCOCCCNC[C@@H](O)CF 34a_100011217757_100015614560 [0,1,0,0,0,0|3,0,0]=4 9442 B12R0.248 CCCOCCCNC[C@@H](O)CO 2230a_100011217757_100009815848 [0,1,0,0,0,0|2,0,0]=3 9443 B12R0.248 CCCOCCCNC[C@@H](O)CO 34a_100011217757_100009815848 [0,1,0,0,0,0|2,0,0]=3 9444 B12R0.248 CCCOCCNCCC(C)CC 2230a_100020591266_100011215938 [0,1,0,0,0,0|3,0,0]=4 9445 B12R0.248 CCCOCCNCCC(C)CO 2230a_106354213184_100011215938 [0,1,0,0,0,0|2,0,0]=3 9446 B12R0.248 CCCOCCNCCC(C)CO 34a_106354213184_100011215938 [0,1,0,0,0,0|2,0,0]=3 9447 B12R0.248 CCCOCCOCCC(C)CC 7a_100011215188_100011215938 [0,1,0,0,0,0|3,0,0]=4 9448 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,1,0,0,0,0|1,0,0]=2 9449 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,1,0,0,0,0|1,0,0]=2 9450 B12R0.248 CCN(C)CCCNCCCCO 2230a_100000750430_100015186262 [0,1,0,0,0,0|2,0,0]=3 9451 B12R0.248 CCN(C)CCCOCCCCCl 7a_100000210776_100015186262 [0,1,0,0,0,0|3,0,0]=4 9452 B12R0.248 CCN(C)CCCOCCCCF 7a_100011995726_100015186262 [0,1,0,0,0,0|3,0,0]=4 9453 B12R0.248 CCN(C)CCCSCCCCF 62a_100000729493_100015186262 [0,1,0,0,0,0|3,0,0]=4 9454 B12R0.248 CCN(C)CCCSCCCCO 62a_100000210776_100015186262 [0,1,0,0,0,0|2,0,0]=3 9455 B12R0.248 CCN(C)CCOCCOCCO 2230a_100000225621_100000032323 [0,1,0,0,0,0|3,0,0]=4 9456 B12R0.248 CCN(C)CCOCCOCCO 2230a_200014138305_100000210202 [0,1,0,0,0,0|3,0,0]=4 9457 B12R0.248 CCN(C)CCOCCOCCO 269982a_100000225621_100000032323 [0,1,0,0,0,0|3,0,0]=4 9458 B12R0.248 CCN(C)CCOCCOCCO 269982a_200014138305_100000204670 [0,1,0,0,0,0|3,0,0]=4 9459 B12R0.248 CCN(C)CCOCCOCCO 34a_200014138305_100000210202 [0,1,0,0,0,0|3,0,0]=4 9460 B12R0.248 CCOCCCNCCC(C)CC 2230a_100020591266_100012232248 [0,1,0,0,0,0|3,0,0]=4 9461 B12R0.248 CCOCCCNCCC(C)CO 2230a_106354213184_100012232248 [0,1,0,0,0,0|2,0,0]=3 9462 B12R0.248 CCOCCCNCCC(C)CO 34a_106354213184_100012232248 [0,1,0,0,0,0|2,0,0]=3 9463 B12R0.248 CCOCCCOCCC(C)CC 7a_100011215188_100012232248 [0,1,0,0,0,0|3,0,0]=4 9464 B12R0.248 CCOCCOCCCC(C)CC 7a_100011216074_100011215890 [0,1,0,0,0,0|3,0,0]=4 9465 B12R0.248 CCOCCOCCC[C@@H](C)CN 34a_100160569302_100000210147 [0,1,0,0,0,0|3,0,0]=4 9466 B12R0.248 CCOCCOCCNC(C)CO 2230a_100102712874_100012180447 [0,1,0,0,0,0|3,0,0]=4 9467 B12R0.248 CCOCCOCCNC(C)CO 34a_100102712874_100012180447 [0,1,0,0,0,0|3,0,0]=4 9468 B12R0.248 CCOCCOCCN[C@H](C)CO 2230a_100000737577_100011211534 [0,1,0,0,0,0|3,0,0]=4 9469 B12R0.248 CCOCCOCCOC(C)CO 34a_100000210240_100012180447 [0,1,0,0,0,0|3,0,0]=4 9470 B12R0.248 CCOCCOCCOC(C)CO 7a_100000210240_100012180447 [0,1,0,0,0,0|3,0,0]=4 9471 B12R0.248 CCOCCOCCSC(C)CO 62a_100012180447_100011211534 [0,1,0,0,0,0|3,0,0]=4 9472 B12R0.248 CCOCCOCCS[C@H](C)CO 62a_100011211534_100016084084 [0,1,0,0,0,0|3,0,0]=4 9473 B12R0.248 CCOCCOCCS[C@H](C)CO 62a_100016084084_100011211534 [0,1,0,0,0,0|3,0,0]=4 9474 B12R0.248 CCSCCOCCCC(C)CC 7a_100011216074_100000757381 [0,1,0,0,0,0|3,0,0]=4 9475 B12R0.248 CCSCCOCCC[C@@H](C)CN 34a_100160569302_100000757381 [0,1,0,0,0,0|3,0,0]=4 9476 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,1,0,0,0,0|1,0,0]=2 9477 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,1,0,0,0,0|1,0,0]=2 9478 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,1,0,0,0,0|3,0,0]=4 9479 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,1,0,0,0,0|3,0,0]=4 9480 B12R0.248 CC[C@H](C)COCCCCCC#N 7a_100009816381_100009813376 [0,1,0,0,0,0|2,0,1]=4 9481 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,1,0,0,0,0|1,0,2]=4 9482 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [0,1,0,0,0,0|2,0,0]=3 9483 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [0,1,0,0,0,0|2,0,0]=3 9484 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [0,1,0,0,0,0|2,0,0]=3 9485 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [0,1,0,0,0,0|2,0,0]=3 9486 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [0,1,0,0,0,0|2,0,0]=3 9487 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [0,1,0,0,0,0|2,0,0]=3 9488 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [0,1,0,0,0,0|2,0,0]=3 9489 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,1,0,0,0,0|2,0,0]=3 9490 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,1,0,0,0,0|1,0,0]=2 9491 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,1,0,0,0,0|3,0,0]=4 9492 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009813376_100009816398 [0,1,0,0,0,0|2,0,1]=4 9493 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009816398_100009813376 [0,1,0,0,0,0|2,0,1]=4 9494 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,1,0,0,0,0|1,0,2]=4 9495 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,1,0,0,0,0|1,0,2]=4 9496 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [0,1,0,0,0,0|2,0,0]=3 9497 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [0,1,0,0,0,0|2,0,0]=3 9498 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,1,0,0,0,0|1,0,0]=2 9499 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,1,0,0,0,0|1,0,0]=2 9500 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|1,0,1]=3 9501 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,1,0,0,0,0|2,0,1]=4 9502 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,1,0,0,0,0|2,0,1]=4 9503 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,1,0,0,0,0|2,0,1]=4 9504 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,1,0,0,0,0|2,0,1]=4 9505 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,1,0,0,0,0|2,0,1]=4 9506 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,1,0,0,0,0|2,0,1]=4 9507 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,1,0,0,0,0|2,0,1]=4 9508 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,1,0,0,0,0|2,0,1]=4 9509 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,1,0,0,0,0|2,0,1]=4 9510 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,1,0,0,0,0|2,0,1]=4 9511 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,1,0,0,0,0|2,0,1]=4 9512 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,1,0,0,0,0|2,0,1]=4 9513 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,1,0,0,0,0|2,0,1]=4 9514 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,1,0,0,0,0|2,0,1]=4 9515 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,1,0,0,0,0|2,0,1]=4 9516 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,1,0,0,0,0|2,0,1]=4 9517 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,1,0,0,0,0|2,0,1]=4 9518 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,1,0,0,0,0|2,0,1]=4 9519 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,1,0,0,0,0|2,0,1]=4 9520 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,1,0,0,0,0|2,0,1]=4 9521 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,1,0,0,0,0|2,0,1]=4 9522 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,1,0,0,0,0|2,0,1]=4 9523 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,1,0,0,0,0|2,0,1]=4 9524 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,1,0,0,0,0|2,0,1]=4 9525 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,1,0,0,0,0|2,0,1]=4 9526 B12R0.248 CNCCCCCOCC(O)CO 34a_100000722520_100011219619 [0,1,0,0,0,0|2,0,0]=3 9527 B12R0.248 CNCCCCCOC[C@@H](C)CO 34a_100000722520_100000059175 [0,1,0,0,0,0|2,0,0]=3 9528 B12R0.248 CNCCCCCOC[C@@H](O)CF 34a_100000722520_100015614560 [0,1,0,0,0,0|3,0,0]=4 9529 B12R0.248 CNCCCCCOC[C@@H](O)CO 34a_100000722520_100009815848 [0,1,0,0,0,0|2,0,0]=3 9530 B12R0.248 CNCCOCCOCC(O)CO 34a_100000228057_100011219619 [0,1,0,0,0,0|3,0,0]=4 9531 B12R0.248 CNCCOCCOC[C@@H](C)CO 34a_100000228057_100000059175 [0,1,0,0,0,0|3,0,0]=4 9532 B12R0.248 CNCCOCCOC[C@@H](O)CO 34a_100000228057_100009815848 [0,1,0,0,0,0|3,0,0]=4 9533 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,0,0,0,0|2,0,1]=4 9534 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,0,0,0,0|2,0,1]=4 9535 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,0,0,0,0|2,0,1]=4 9536 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,0,0,0,0|2,0,1]=4 9537 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,0,0,0,0|2,0,1]=4 9538 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,0,0,0,0|2,0,1]=4 9539 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,0,0,0,0|2,0,1]=4 9540 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,0,0,0,0|2,0,1]=4 9541 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,0,0,0,0|2,0,1]=4 9542 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,0,0,0,0|2,0,1]=4 9543 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|2,0,1]=4 9544 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,1]=4 9545 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|2,0,1]=4 9546 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|2,0,1]=4 9547 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|2,0,1]=4 9548 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,1]=4 9549 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|2,0,1]=4 9550 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|2,0,1]=4 9551 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 9552 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 9553 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|2,0,1]=4 9554 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|2,0,1]=4 9555 B12R0.248 COC(C)CCOCCCCCF 7a_100000764861_100000729378 [0,1,0,0,0,0|3,0,0]=4 9556 B12R0.248 COC(C)CCOCCCCCO 7a_100000764861_100000746330 [0,1,0,0,0,0|2,0,0]=3 9557 B12R0.248 COC(C)CCOCCOCCO 7a_100000764861_100011215305 [0,1,0,0,0,0|3,0,0]=4 9558 B12R0.248 COC(C)COCCCCCCF 34a_100000690652_100015922095 [0,1,0,0,0,0|3,0,0]=4 9559 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,1,0,0,0,0|2,0,0]=3 9560 B12R0.248 COC(C)SCCCCCCCO 62a_100000760002_100009879195 [0,1,0,0,0,0|2,0,0]=3 9561 B12R0.248 COC(C)SCCCCCCCO 62a_100009879195_100000760002 [0,1,0,0,0,0|2,0,0]=3 9562 B12R0.248 COCCCCCCN[C@H](C)CO 2230a_100000737577_100011998445 [0,1,0,0,0,0|2,0,0]=3 9563 B12R0.248 COCCCCCCOC(C)CF 34a_100016041109_100011998445 [0,1,0,0,0,0|3,0,0]=4 9564 B12R0.248 COCCCCCCOC(C)CF 7a_100016041109_100011998445 [0,1,0,0,0,0|3,0,0]=4 9565 B12R0.248 COCCCCCCOC(C)CN 34a_100000210904_100011998445 [0,1,0,0,0,0|3,0,0]=4 9566 B12R0.248 COCCCCCCOC(C)CO 34a_200012092642_100012180447 [0,1,0,0,0,0|2,0,0]=3 9567 B12R0.248 COCCCCCCOC(C)CO 7a_200012092642_100012180447 [0,1,0,0,0,0|2,0,0]=3 9568 B12R0.248 COCCCCCCSC(C)CO 62a_100012180447_100011998445 [0,1,0,0,0,0|2,0,0]=3 9569 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100011998445_100016084084 [0,1,0,0,0,0|2,0,0]=3 9570 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100016084084_100011998445 [0,1,0,0,0,0|2,0,0]=3 9571 B12R0.248 COCCCCCNCC(O)CO 2230a_100000747528_100011219619 [0,1,0,0,0,0|2,0,0]=3 9572 B12R0.248 COCCCCCNCC(O)CO 34a_100000747528_100011219619 [0,1,0,0,0,0|2,0,0]=3 9573 B12R0.248 COCCCCCNC[C@@H](C)CO 2230a_100000747528_100000059175 [0,1,0,0,0,0|2,0,0]=3 9574 B12R0.248 COCCCCCNC[C@@H](C)CO 34a_100000747528_100000059175 [0,1,0,0,0,0|2,0,0]=3 9575 B12R0.248 COCCCCCNC[C@@H](O)CF 2230a_100000747528_100015614560 [0,1,0,0,0,0|3,0,0]=4 9576 B12R0.248 COCCCCCNC[C@@H](O)CF 34a_100000747528_100015614560 [0,1,0,0,0,0|3,0,0]=4 9577 B12R0.248 COCCCCCNC[C@@H](O)CO 2230a_100000747528_100009815848 [0,1,0,0,0,0|2,0,0]=3 9578 B12R0.248 COCCCCCNC[C@@H](O)CO 34a_100000747528_100009815848 [0,1,0,0,0,0|2,0,0]=3 9579 B12R0.248 COCCCCNCCC(C)CO 2230a_106354213184_100000730899 [0,1,0,0,0,0|2,0,0]=3 9580 B12R0.248 COCCCCNCCC(C)CO 34a_106354213184_100000755781 [0,1,0,0,0,0|2,0,0]=3 9581 B12R0.248 COCCCOCCC[C@@H](C)CN 34a_100160569302_100000740836 [0,1,0,0,0,0|3,0,0]=4 9582 B12R0.248 COCCOCCCNC(C)CO 2230a_100000206027_100012180447 [0,1,0,0,0,0|3,0,0]=4 9583 B12R0.248 COCCOCCCNC(C)CO 34a_100000206027_100012180447 [0,1,0,0,0,0|3,0,0]=4 9584 B12R0.248 COCCOCCCN[C@H](C)CO 2230a_100000737577_100011216529 [0,1,0,0,0,0|3,0,0]=4 9585 B12R0.248 COCCOCCCSC(C)CO 62a_100012180447_100011216529 [0,1,0,0,0,0|3,0,0]=4 9586 B12R0.248 COCCOCCCS[C@H](C)CO 62a_100011216529_100016084084 [0,1,0,0,0,0|3,0,0]=4 9587 B12R0.248 COCCOCCCS[C@H](C)CO 62a_100016084084_100011216529 [0,1,0,0,0,0|3,0,0]=4 9588 B12R0.248 COCCOCCNCC(C)CO 34a_100000744482_100000695917 [0,1,0,0,0,0|3,0,0]=4 9589 B12R0.248 COCCOCCNCC(O)CO 2230a_100000745349_100011219619 [0,1,0,0,0,0|3,0,0]=4 9590 B12R0.248 COCCOCCNCC(O)CO 34a_100000745349_100011219619 [0,1,0,0,0,0|3,0,0]=4 9591 B12R0.248 COCCOCCNC[C@@H](C)CO 2230a_100000745349_100000059175 [0,1,0,0,0,0|3,0,0]=4 9592 B12R0.248 COCCOCCNC[C@@H](C)CO 34a_100000745349_100000059175 [0,1,0,0,0,0|3,0,0]=4 9593 B12R0.248 COCCOCCNC[C@@H](F)CO 34a_100015665980_100000695917 [0,1,0,0,0,0|3,0,0]=4 9594 B12R0.248 COCCOCCNC[C@@H](O)CO 2230a_100000745349_100009815848 [0,1,0,0,0,0|3,0,0]=4 9595 B12R0.248 COCCOCCNC[C@@H](O)CO 34a_100000745349_100009815848 [0,1,0,0,0,0|3,0,0]=4 9596 B12R0.248 COCCOCCNC[C@H](O)CO 2230a_100020644852_100000695917 [0,1,0,0,0,0|3,0,0]=4 9597 B12R0.248 COCCOCCOCC(O)CO 34a_100011215163_100011219619 [0,1,0,0,0,0|3,0,0]=4 9598 B12R0.248 COCCOCCOCC(O)CO 7a_100011215163_100011219619 [0,1,0,0,0,0|3,0,0]=4 9599 B12R0.248 COCCOCCOC[C@@H](C)CO 34a_100011215163_100000059175 [0,1,0,0,0,0|3,0,0]=4 9600 B12R0.248 COCCOCCOC[C@@H](C)CO 7a_100011215163_100000059175 [0,1,0,0,0,0|3,0,0]=4 9601 B12R0.248 COCCOCCOC[C@@H](O)CO 34a_100011215163_100009815848 [0,1,0,0,0,0|3,0,0]=4 9602 B12R0.248 COCCOCCOC[C@@H](O)CO 7a_100011215163_100009815848 [0,1,0,0,0,0|3,0,0]=4 9603 B12R0.248 COCCOCCSCC(O)CO 62a_100000695917_100011219619 [0,1,0,0,0,0|3,0,0]=4 9604 B12R0.248 COCCOCCSCC(O)CO 62a_100011219619_100000695917 [0,1,0,0,0,0|3,0,0]=4 9605 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000059175_100000695917 [0,1,0,0,0,0|3,0,0]=4 9606 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000695917_100000059175 [0,1,0,0,0,0|3,0,0]=4 9607 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100000695917_100009815848 [0,1,0,0,0,0|3,0,0]=4 9608 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100009815848_100000695917 [0,1,0,0,0,0|3,0,0]=4 9609 B12R0.248 COCCOCNCCC(C)CO 2230a_106354213184_100000231047 [0,1,0,0,0,0|3,0,0]=4 9610 B12R0.248 CO[C@H](C)CNCCCCCCF 2230a_100020591295_100015922095 [0,1,0,0,0,0|3,0,0]=4 9611 B12R0.248 CO[C@H](C)CNCCCCCCO 2230a_100020591295_100000766143 [0,1,0,0,0,0|2,0,0]=3 9612 B12R0.248 C[C@@H](CN)CCCOCCCCF 34a_100160569302_100000729493 [0,1,0,0,0,0|3,0,0]=4 9613 B12R0.248 C[C@@H](CN)CCCOCCCCO 34a_100160569302_100011216708 [0,1,0,0,0,0|2,0,0]=3 9614 B12R0.248 C[C@@H](CO)CNCCCCCCO 2230a_100000686447_100000059175 [0,1,0,0,0,0|2,0,0]=3 9615 B12R0.248 C[C@@H](CO)CNCCCCCCO 34a_100000686447_100000059175 [0,1,0,0,0,0|2,0,0]=3 9616 B12R0.248 C[C@@H](CO)COCCCCCCBr 34a_100011215345_100000059175 [0,1,0,0,0,0|2,0,0]=3 9617 B12R0.248 C[C@@H](CO)COCCCCCCBr 7a_100011215345_100000059175 [0,1,0,0,0,0|2,0,0]=3 9618 B12R0.248 C[C@@H](CO)COCCCCCCCl 34a_100000766143_100000059175 [0,1,0,0,0,0|2,0,0]=3 9619 B12R0.248 C[C@@H](CO)COCCCCCCCl 7a_100000766143_100000059175 [0,1,0,0,0,0|2,0,0]=3 9620 B12R0.248 C[C@@H](CO)COCCCCCCF 34a_100000732779_100000059175 [0,1,0,0,0,0|2,0,0]=3 9621 B12R0.248 C[C@@H](CO)COCCCCCCF 7a_100000732779_100000059175 [0,1,0,0,0,0|2,0,0]=3 9622 B12R0.248 C[C@@H](CO)COCCCCCCN 34a_100000686447_100000059175 [0,1,0,0,0,0|2,0,0]=3 9623 B12R0.248 C[C@@H](CO)CSCCCCCC#N 62a_100000059175_100009813376 [0,1,0,0,0,0|2,0,1]=4 9624 B12R0.248 C[C@@H](CO)CSCCCCCC#N 62a_100009813376_100000059175 [0,1,0,0,0,0|2,0,1]=4 9625 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [0,1,0,0,0,0|2,0,1]=4 9626 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [0,1,0,0,0,0|2,0,1]=4 9627 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100000059175_100015922095 [0,1,0,0,0,0|2,0,0]=3 9628 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100015922095_100000059175 [0,1,0,0,0,0|2,0,0]=3 9629 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000059175_100000766143 [0,1,0,0,0,0|2,0,0]=3 9630 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000766143_100000059175 [0,1,0,0,0,0|2,0,0]=3 9631 B12R0.248 C[C@H](CO)NCCCCCCC#N 2230a_100000737577_100009813337 [0,1,0,0,0,0|2,0,1]=4 9632 B12R0.248 C[C@H](CO)NCCCCCCCO 2230a_100000737577_100000760002 [0,1,0,0,0,0|2,0,0]=3 9633 B12R0.248 C[C@H](CO)SCCCCCCC#N 62a_100009813337_100016084084 [0,1,0,0,0,0|2,0,1]=4 9634 B12R0.248 C[C@H](CO)SCCCCCCC#N 62a_100016084084_100009813337 [0,1,0,0,0,0|2,0,1]=4 9635 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100000760002_100016084084 [0,1,0,0,0,0|2,0,0]=3 9636 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100016084084_100000760002 [0,1,0,0,0,0|2,0,0]=3 9637 B12R0.248 FCCCCCCOCC(Cl)CCl 34a_100000033668_100015922095 [0,1,0,0,0,0|3,0,0]=4 9638 B12R0.248 N#CC(F)SCCCCCCCO 62a_100000760002_200000117898 [0,1,0,0,0,0|2,0,1]=4 9639 B12R0.248 N#CC(F)SCCCCCCCO 62a_200000117898_100000760002 [0,1,0,0,0,0|2,0,1]=4 9640 B12R0.248 N#CCCCCCNC[C@H](O)CO 2230a_100020644852_100009813376 [0,1,0,0,0,0|2,0,1]=4 9641 B12R0.248 N#CCCCCCSCC(O)CO 62a_100009813376_100011219619 [0,1,0,0,0,0|2,0,1]=4 9642 B12R0.248 N#CCCCCCSCC(O)CO 62a_100011219619_100009813376 [0,1,0,0,0,0|2,0,1]=4 9643 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009813376_100009815848 [0,1,0,0,0,0|2,0,1]=4 9644 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009815848_100009813376 [0,1,0,0,0,0|2,0,1]=4 9645 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [0,1,0,0,0,0|2,0,0]=3 9646 B12R0.248 NCCCCCCOC[C@@H](O)CF 34a_100000686447_100015614560 [0,1,0,0,0,0|3,0,0]=4 9647 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [0,1,0,0,0,0|2,0,0]=3 9648 B12R0.248 NC[C@@H](F)COCCCCCCF 34a_100015665980_100015922095 [0,1,0,0,0,0|3,0,0]=4 9649 B12R0.248 NC[C@@H](F)COCCCCCCO 34a_100015665980_100000766143 [0,1,0,0,0,0|2,0,0]=3 9650 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,1]=3 9651 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|2,0,1]=4 9652 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [0,1,0,0,0,0|2,0,1]=4 9653 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [0,1,0,0,0,0|2,0,1]=4 9654 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [0,1,0,0,0,0|2,0,1]=4 9655 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [0,1,0,0,0,0|2,0,1]=4 9656 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [0,1,0,0,0,0|2,0,1]=4 9657 B12R0.248 OCC(O)COCCCCCCBr 34a_100011215345_100011219619 [0,1,0,0,0,0|2,0,0]=3 9658 B12R0.248 OCC(O)COCCCCCCBr 7a_100011215345_100011219619 [0,1,0,0,0,0|2,0,0]=3 9659 B12R0.248 OCC(O)COCCCCCCCl 34a_100000766143_100011219619 [0,1,0,0,0,0|2,0,0]=3 9660 B12R0.248 OCC(O)COCCCCCCCl 7a_100000766143_100011219619 [0,1,0,0,0,0|2,0,0]=3 9661 B12R0.248 OCC(O)COCCCCCCF 34a_100000732779_100011219619 [0,1,0,0,0,0|2,0,0]=3 9662 B12R0.248 OCC(O)COCCCCCCF 7a_100000732779_100011219619 [0,1,0,0,0,0|2,0,0]=3 9663 B12R0.248 OCC(O)CSCCCCCCF 62a_100011219619_100015922095 [0,1,0,0,0,0|2,0,0]=3 9664 B12R0.248 OCC(O)CSCCCCCCF 62a_100015922095_100011219619 [0,1,0,0,0,0|2,0,0]=3 9665 B12R0.248 OCCCCCCNCC(O)CO 2230a_100000686447_100011219619 [0,1,0,0,0,0|2,0,0]=3 9666 B12R0.248 OCCCCCCNCC(O)CO 34a_100000686447_100011219619 [0,1,0,0,0,0|2,0,0]=3 9667 B12R0.248 OCCCCCCNC[C@@H](F)CO 34a_100015665980_100000766143 [0,1,0,0,0,0|2,0,0]=3 9668 B12R0.248 OCCCCCCNC[C@@H](O)CF 2230a_100000686447_100015614560 [0,1,0,0,0,0|2,0,0]=3 9669 B12R0.248 OCCCCCCNC[C@@H](O)CF 34a_100000686447_100015614560 [0,1,0,0,0,0|2,0,0]=3 9670 B12R0.248 OCCCCCCNC[C@@H](O)CO 2230a_100000686447_100009815848 [0,1,0,0,0,0|2,0,0]=3 9671 B12R0.248 OCCCCCCNC[C@@H](O)CO 34a_100000686447_100009815848 [0,1,0,0,0,0|2,0,0]=3 9672 B12R0.248 OCCCCCCNC[C@H](O)CO 2230a_100020644852_100000766143 [0,1,0,0,0,0|2,0,0]=3 9673 B12R0.248 OCCCCCCOCC(Cl)CCl 34a_100000033668_100000766143 [0,1,0,0,0,0|2,0,0]=3 9674 B12R0.248 OCCCCCCSCC(O)CO 62a_100000766143_100011219619 [0,1,0,0,0,0|2,0,0]=3 9675 B12R0.248 OCCCCCCSCC(O)CO 62a_100011219619_100000766143 [0,1,0,0,0,0|2,0,0]=3 9676 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100000766143_100015614560 [0,1,0,0,0,0|2,0,0]=3 9677 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100015614560_100000766143 [0,1,0,0,0,0|2,0,0]=3 9678 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100000766143_100009815848 [0,1,0,0,0,0|2,0,0]=3 9679 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100009815848_100000766143 [0,1,0,0,0,0|2,0,0]=3 9680 B12R0.248 OC[C@@H](O)CNCCCCCCF 2230a_100020644852_100015922095 [0,1,0,0,0,0|2,0,0]=3 9681 B12R0.248 OC[C@H](F)CNCCCCCCF 34a_100015665980_100015922095 [0,1,0,0,0,0|2,0,0]=3 9682 B12R0.248 OC[C@H](O)COCCCCCCBr 34a_100011215345_100009815848 [0,1,0,0,0,0|2,0,0]=3 9683 B12R0.248 OC[C@H](O)COCCCCCCBr 7a_100011215345_100009815848 [0,1,0,0,0,0|2,0,0]=3 9684 B12R0.248 OC[C@H](O)COCCCCCCCl 34a_100000766143_100009815848 [0,1,0,0,0,0|2,0,0]=3 9685 B12R0.248 OC[C@H](O)COCCCCCCCl 7a_100000766143_100009815848 [0,1,0,0,0,0|2,0,0]=3 9686 B12R0.248 OC[C@H](O)COCCCCCCF 34a_100000732779_100009815848 [0,1,0,0,0,0|2,0,0]=3 9687 B12R0.248 OC[C@H](O)COCCCCCCF 7a_100000732779_100009815848 [0,1,0,0,0,0|2,0,0]=3 9688 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100009815848_100015922095 [0,1,0,0,0,0|2,0,0]=3 9689 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100015922095_100009815848 [0,1,0,0,0,0|2,0,0]=3 9690 B12R0.248 O[C@@H](CF)COCCCCCCBr 34a_100011215345_100015614560 [0,1,0,0,0,0|3,0,0]=4 9691 B12R0.248 O[C@@H](CF)COCCCCCCBr 7a_100011215345_100015614560 [0,1,0,0,0,0|3,0,0]=4 9692 B12R0.248 O[C@@H](CF)COCCCCCCCl 34a_100000766143_100015614560 [0,1,0,0,0,0|3,0,0]=4 9693 B12R0.248 O[C@@H](CF)COCCCCCCCl 7a_100000766143_100015614560 [0,1,0,0,0,0|3,0,0]=4 9694 B12R0.248 O[C@@H](CF)COCCCCCCF 34a_100000732779_100015614560 [0,1,0,0,0,0|3,0,0]=4 9695 B12R0.248 O[C@@H](CF)COCCCCCCF 7a_100000732779_100015614560 [0,1,0,0,0,0|3,0,0]=4 9696 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015614560_100015922095 [0,1,0,0,0,0|3,0,0]=4 9697 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015922095_100015614560 [0,1,0,0,0,0|3,0,0]=4 9698 B12R1.8 BrCCCCOC1CCCCC1 34a_100011216708_100000210327 [0,0,0,1,0,0|2,0,0]=3 9699 B12R1.8 BrCCCCOC1CCCOC1 34a_100011216708_100000693364 [0,0,0,1,0,0|3,0,0]=4 9700 B12R1.8 BrCCCCOC1CCSCC1 34a_100011216708_100000069128 [0,0,0,1,0,0|3,0,0]=4 9701 B12R1.8 BrCCCOCC1CCCCC1 34a_100011217188_100000211423 [0,0,0,1,0,0|2,0,0]=3 9702 B12R1.8 BrCCCOCC1CCCCO1 34a_100011217188_100000211543 [0,0,0,1,0,0|2,0,0]=3 9703 B12R1.8 BrCCCOCC1CCCOC1 34a_100011217188_100000741521 [0,0,0,1,0,0|3,0,0]=4 9704 B12R1.8 BrCCCOCC1CCOCC1 34a_100011217188_100000754603 [0,0,0,1,0,0|3,0,0]=4 9705 B12R1.8 BrCCOCCC1CCCCC1 34a_100000211926_100011209188 [0,0,0,1,0,0|2,0,0]=3 9706 B12R1.8 BrCCOCCC1CCOCC1 34a_100000211926_100011934994 [0,0,0,1,0,0|3,0,0]=4 9707 B12R1.8 BrCCOCCC1OCCCO1 34a_100000211926_100000764188 [0,0,0,1,0,0|3,0,0]=4 9708 B12R1.8 BrCCOCCN1CCCCC1 34a_100000211926_100000739454 [0,0,0,1,0,0|3,0,0]=4 9709 B12R1.8 BrCCOCOC1CCCCC1 34a_100000211926_100011935260 [0,0,0,1,0,0|3,0,0]=4 9710 B12R1.8 C#CCCCNC1CCCCC1 2230a_100000182618_100000731252 [0,0,0,1,0,0|2,0,1]=4 9711 B12R1.8 C#CCCCNC1CCCCC1 270004a_100000718082_100000210434 [0,0,0,1,0,0|2,0,1]=4 9712 B12R1.8 C#CCCCNC1CCCCC1 34a_100000182618_100000695029 [0,0,0,1,0,0|2,0,1]=4 9713 B12R1.8 C#CCCCNC1CCCCC1 34a_100000718082_100000210327 [0,0,0,1,0,0|2,0,1]=4 9714 B12R1.8 C#CCCCOC1CCCCC1 34a_100000210231_100000695029 [0,0,0,1,0,0|2,0,1]=4 9715 B12R1.8 C#CCCCOC1CCCCC1 34a_100000215630_100000210327 [0,0,0,1,0,0|2,0,1]=4 9716 B12R1.8 C#CCCCOC1CCCCC1 7a_100000210231_100011215417 [0,0,0,1,0,0|2,0,1]=4 9717 B12R1.8 C#CCCCOC1CCCCC1 7a_100000215630_100000210327 [0,0,0,1,0,0|2,0,1]=4 9718 B12R1.8 C#CCCCOC1CCCCO1 34a_100000033831_100000695029 [0,0,0,1,0,0|1,0,2]=4 9719 B12R1.8 C#CCCCSC1CCCCC1 62a_100000210327_100011215417 [0,0,0,1,0,0|2,0,1]=4 9720 B12R1.8 C#CCCCSC1CCCCC1 62a_100011215417_100000210327 [0,0,0,1,0,0|2,0,1]=4 9721 B12R1.8 C#CCCNCC1CCCCC1 2230a_100000210473_100000688953 [0,0,0,1,0,0|2,0,1]=4 9722 B12R1.8 C#CCCNCC1CCCCC1 34a_100000210473_100000688953 [0,0,0,1,0,0|2,0,1]=4 9723 B12R1.8 C#CCCNCC1CCCCC1 34a_100000755551_100000211423 [0,0,0,1,0,0|2,0,1]=4 9724 B12R1.8 C#CCCNCC1CCCCO1 2230a_100000174945_100000688953 [0,0,0,1,0,0|1,0,2]=4 9725 B12R1.8 C#CCCNCC1CCCCO1 34a_100000174945_100000688953 [0,0,0,1,0,0|1,0,2]=4 9726 B12R1.8 C#CCCNCC1CCCCO1 34a_100000755551_100000211543 [0,0,0,1,0,0|1,0,2]=4 9727 B12R1.8 C#CCCOCC1CCCCC1 34a_100000212181_100000688953 [0,0,0,1,0,0|2,0,1]=4 9728 B12R1.8 C#CCCOCC1CCCCC1 34a_100011215631_100000211423 [0,0,0,1,0,0|2,0,1]=4 9729 B12R1.8 C#CCCOCC1CCCCC1 7a_100000212181_100000688953 [0,0,0,1,0,0|2,0,1]=4 9730 B12R1.8 C#CCCOCC1CCCCO1 34a_100000211370_100000688953 [0,0,0,1,0,0|1,0,2]=4 9731 B12R1.8 C#CCCOCC1CCCCO1 34a_100011215631_100000211543 [0,0,0,1,0,0|1,0,2]=4 9732 B12R1.8 C#CCCOCC1CCCCO1 7a_100000211370_100000688953 [0,0,0,1,0,0|1,0,2]=4 9733 B12R1.8 C#CCCSCC1CCCCC1 62a_100000211423_100000688953 [0,0,0,1,0,0|2,0,1]=4 9734 B12R1.8 C#CCCSCC1CCCCC1 62a_100000688953_100000211423 [0,0,0,1,0,0|2,0,1]=4 9735 B12R1.8 C#CCCSCC1CCCCO1 62a_100000211543_100000688953 [0,0,0,1,0,0|1,0,2]=4 9736 B12R1.8 C#CCCSCC1CCCCO1 62a_100000688953_100000211543 [0,0,0,1,0,0|1,0,2]=4 9737 B12R1.8 C#CCNCCC1CCCCC1 2230a_100000738074_100000038162 [0,0,0,1,0,0|2,0,1]=4 9738 B12R1.8 C#CCNCCC1CCCCC1 34a_100000212058_100011209188 [0,0,0,1,0,0|2,0,1]=4 9739 B12R1.8 C#CCNCCC1CCCCC1 34a_100000738074_100000184674 [0,0,0,1,0,0|2,0,1]=4 9740 B12R1.8 C#CCNCCC1CCCCO1 2230a_100015183643_100000038162 [0,0,0,1,0,0|1,0,2]=4 9741 B12R1.8 C#CCNCCC1CCCCO1 34a_100015183643_100000184674 [0,0,0,1,0,0|1,0,2]=4 9742 B12R1.8 C#CCOCCC1CCCCC1 34a_100000210247_100011209188 [0,0,0,1,0,0|2,0,1]=4 9743 B12R1.8 C#CCOCCC1CCCCC1 34a_100011217863_100000184674 [0,0,0,1,0,0|2,0,1]=4 9744 B12R1.8 C#CCOCCC1CCCCC1 7a_100011217863_100000038162 [0,0,0,1,0,0|2,0,1]=4 9745 B12R1.8 C#CCSCCC1CCCCC1 62a_100000038162_100012355289 [0,0,0,1,0,0|2,0,1]=4 9746 B12R1.8 C/C=C/CNCC1CCCCO1 34a_100000174945_100102629194 [0,0,0,1,0,0|1,0,2]=4 9747 B12R1.8 C/C=C/COCC1CCCCO1 34a_100000211370_100102629194 [0,0,0,1,0,0|1,0,2]=4 9748 B12R1.8 C/C=C/COCC1CCCCO1 34a_100016270725_100000211543 [0,0,0,1,0,0|1,0,2]=4 9749 B12R1.8 C/C=C/COCC1CCCCO1 7a_100000211370_100102629194 [0,0,0,1,0,0|1,0,2]=4 9750 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100000211543_100102629194 [0,0,0,1,0,0|1,0,2]=4 9751 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100102629194_100000211543 [0,0,0,1,0,0|1,0,2]=4 9752 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [0,0,0,1,0,0|2,0,1]=4 9753 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [0,0,0,1,0,0|2,0,1]=4 9754 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [0,0,0,1,0,0|2,0,1]=4 9755 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [0,0,0,1,0,0|2,0,1]=4 9756 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,0,0,1,0,0|2,0,1]=4 9757 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,0,0,1,0,0|2,0,1]=4 9758 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,0,0,1,0,0|2,0,1]=4 9759 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,0,0,1,0,0|2,0,1]=4 9760 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [0,0,0,1,0,0|1,0,2]=4 9761 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [0,0,0,1,0,0|2,0,1]=4 9762 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [0,0,0,1,0,0|2,0,1]=4 9763 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [0,0,0,1,0,0|2,0,1]=4 9764 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [0,0,0,1,0,0|2,0,1]=4 9765 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [0,0,0,1,0,0|2,0,1]=4 9766 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [0,0,0,1,0,0|2,0,1]=4 9767 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [0,0,0,1,0,0|1,0,2]=4 9768 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [0,0,0,1,0,0|1,0,2]=4 9769 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [0,0,0,1,0,0|1,0,2]=4 9770 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [0,0,0,1,0,0|2,0,1]=4 9771 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [0,0,0,1,0,0|2,0,1]=4 9772 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [0,0,0,1,0,0|2,0,1]=4 9773 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,0,0,1,0,0|1,0,2]=4 9774 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,0,0,1,0,0|1,0,2]=4 9775 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,0,0,1,0,0|1,0,2]=4 9776 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [0,0,0,1,0,0|2,0,1]=4 9777 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [0,0,0,1,0,0|2,0,1]=4 9778 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [0,0,0,1,0,0|1,0,2]=4 9779 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [0,0,0,1,0,0|1,0,2]=4 9780 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [0,0,0,1,0,0|2,0,1]=4 9781 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [0,0,0,1,0,0|2,0,1]=4 9782 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [0,0,0,1,0,0|2,0,1]=4 9783 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [0,0,0,1,0,0|2,0,1]=4 9784 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [0,0,0,1,0,0|1,0,2]=4 9785 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [0,0,0,1,0,0|1,0,2]=4 9786 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,0,0,1,0,0|2,0,1]=4 9787 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,0,0,1,0,0|2,0,1]=4 9788 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,0,0,1,0,0|2,0,1]=4 9789 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [0,0,0,1,0,0|2,0,1]=4 9790 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [0,0,0,1,0,0|2,0,1]=4 9791 B12R1.8 CC#CCNCC1CCCCO1 2230a_100000174945_100000748600 [0,0,0,1,0,0|1,0,2]=4 9792 B12R1.8 CC#CCNCC1CCCCO1 2230a_100000685387_100000211543 [0,0,0,1,0,0|1,0,2]=4 9793 B12R1.8 CC#CCNCC1CCCCO1 34a_100000174945_100000748600 [0,0,0,1,0,0|1,0,2]=4 9794 B12R1.8 CC#CCNCC1CCCCO1 34a_100000685387_100000211543 [0,0,0,1,0,0|1,0,2]=4 9795 B12R1.8 CC#CCOCC1CCCCO1 34a_100000211370_100000748600 [0,0,0,1,0,0|1,0,2]=4 9796 B12R1.8 CC#CCOCC1CCCCO1 34a_100000761923_100000211543 [0,0,0,1,0,0|1,0,2]=4 9797 B12R1.8 CC#CCOCC1CCCCO1 7a_100000211370_100000748600 [0,0,0,1,0,0|1,0,2]=4 9798 B12R1.8 CC#CCSCC1CCCCO1 62a_100000211543_100000748600 [0,0,0,1,0,0|1,0,2]=4 9799 B12R1.8 CC#CCSCC1CCCCO1 62a_100000748600_100000211543 [0,0,0,1,0,0|1,0,2]=4 9800 B12R1.8 CC/C=C\COC1CCCCO1 34a_100000033831_100103147603 [0,0,0,1,0,0|1,0,2]=4 9801 B12R1.8 CC=CCNCC1CCCCO1 2230a_100000174945_100000070051 [0,0,0,1,0,0|1,0,2]=4 9802 B12R1.8 CC=CCNCC1CCCCO1 34a_100000174945_100000070051 [0,0,0,1,0,0|1,0,2]=4 9803 B12R1.8 CC=CCOCC1CCCCO1 34a_100000211370_100000070051 [0,0,0,1,0,0|1,0,2]=4 9804 B12R1.8 CC=CCOCC1CCCCO1 7a_100000211370_100000070051 [0,0,0,1,0,0|1,0,2]=4 9805 B12R1.8 CC=CCSCC1CCCCO1 62a_100000070051_100000211543 [0,0,0,1,0,0|1,0,2]=4 9806 B12R1.8 CC=CCSCC1CCCCO1 62a_100000211543_100000070051 [0,0,0,1,0,0|1,0,2]=4 9807 B12R1.8 CCC#CCOC1CCCCO1 34a_100000033831_100009813939 [0,0,0,1,0,0|1,0,2]=4 9808 B12R1.8 CCCCCCN1CCCOC1 2230a_100000131196_100000210314 [0,0,0,1,0,0|3,0,0]=4 9809 B12R1.8 CCCCCCN1CCCOC1 269982a_100000131196_100000210757 [0,0,0,1,0,0|3,0,0]=4 9810 B12R1.8 CCCCCCN1CCCOC1 34a_100000131196_100000210314 [0,0,0,1,0,0|3,0,0]=4 9811 B12R1.8 CCCCCCN1CCOCC1 2230a_100015191051_100000210314 [0,0,0,1,0,0|3,0,0]=4 9812 B12R1.8 CCCCCCN1CCOCC1 269982a_100015191051_100000210757 [0,0,0,1,0,0|3,0,0]=4 9813 B12R1.8 CCCCCCN1CCOCC1 34a_100015191051_100000210314 [0,0,0,1,0,0|3,0,0]=4 9814 B12R1.8 CCCCCCN1CCSCC1 2230a_100000737611_100000210314 [0,0,0,1,0,0|3,0,0]=4 9815 B12R1.8 CCCCCCN1CCSCC1 269982a_100000737611_100000210757 [0,0,0,1,0,0|3,0,0]=4 9816 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [0,0,0,1,0,0|2,0,1]=4 9817 B12R1.8 CCCCCNC1CCCCC1 2230a_100000182618_100000210326 [0,0,0,1,0,0|2,0,0]=3 9818 B12R1.8 CCCCCNC1CCCCC1 270004a_100000209983_100000210434 [0,0,0,1,0,0|2,0,0]=3 9819 B12R1.8 CCCCCNC1CCCCC1 34a_100000182618_100000718602 [0,0,0,1,0,0|2,0,0]=3 9820 B12R1.8 CCCCCNC1CCCOC1 2230a_100000719290_100000210326 [0,0,0,1,0,0|3,0,0]=4 9821 B12R1.8 CCCCCNC1CCCOC1 270004a_100000209983_100000753404 [0,0,0,1,0,0|3,0,0]=4 9822 B12R1.8 CCCCCNC1CCCOC1 34a_100000719290_100000718602 [0,0,0,1,0,0|3,0,0]=4 9823 B12R1.8 CCCCCNC1CCCSC1 270004a_100000209983_100000057913 [0,0,0,1,0,0|3,0,0]=4 9824 B12R1.8 CCCCCNC1CCNCC1 270004a_100000209983_100015192401 [0,0,0,1,0,0|3,0,0]=4 9825 B12R1.8 CCCCCNC1CCOCC1 2230a_100000741149_100000210326 [0,0,0,1,0,0|3,0,0]=4 9826 B12R1.8 CCCCCNC1CCOCC1 270004a_100000209983_100011217826 [0,0,0,1,0,0|3,0,0]=4 9827 B12R1.8 CCCCCNC1CCOCC1 34a_100000741149_100000718602 [0,0,0,1,0,0|3,0,0]=4 9828 B12R1.8 CCCCCNC1CCSCC1 2230a_100000748639_100000210326 [0,0,0,1,0,0|3,0,0]=4 9829 B12R1.8 CCCCCNC1CCSCC1 270004a_100000209983_100000203788 [0,0,0,1,0,0|3,0,0]=4 9830 B12R1.8 CCCCCNC1CCSCC1 34a_100000748639_100000718602 [0,0,0,1,0,0|3,0,0]=4 9831 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,0,0,1,0,0|2,0,1]=4 9832 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,0,0,1,0,0|2,0,1]=4 9833 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [0,0,0,1,0,0|2,0,0]=3 9834 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [0,0,0,1,0,0|2,0,0]=3 9835 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [0,0,0,1,0,0|2,0,0]=3 9836 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [0,0,0,1,0,0|2,0,0]=3 9837 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,0,0,1,0,0|1,0,0]=2 9838 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [0,0,0,1,0,0|3,0,0]=4 9839 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [0,0,0,1,0,0|3,0,0]=4 9840 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [0,0,0,1,0,0|3,0,0]=4 9841 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [0,0,0,1,0,0|3,0,0]=4 9842 B12R1.8 CCCCCOC1CCOCC1 34a_100000744328_100000718602 [0,0,0,1,0,0|3,0,0]=4 9843 B12R1.8 CCCCCOC1CCOCC1 7a_100000210253_100000686592 [0,0,0,1,0,0|3,0,0]=4 9844 B12R1.8 CCCCCOC1CCSCC1 34a_100000210253_100000069128 [0,0,0,1,0,0|3,0,0]=4 9845 B12R1.8 CCCCCOC1CCSCC1 34a_100000731022_100000718602 [0,0,0,1,0,0|3,0,0]=4 9846 B12R1.8 CCCCCOC1CCSCC1 7a_100000210253_100011500858 [0,0,0,1,0,0|3,0,0]=4 9847 B12R1.8 CCCCCOC1CCSCC1 7a_100000731022_100000210326 [0,0,0,1,0,0|3,0,0]=4 9848 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [0,0,0,1,0,0|2,0,1]=4 9849 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [0,0,0,1,0,0|2,0,1]=4 9850 B12R1.8 CCCCCSC1CCCCC1 62a_100000210326_100000210327 [0,0,0,1,0,0|2,0,0]=3 9851 B12R1.8 CCCCCSC1CCCCC1 62a_100000210327_100000210326 [0,0,0,1,0,0|2,0,0]=3 9852 B12R1.8 CCCCCSC1CCCOC1 62a_100000210326_100000693364 [0,0,0,1,0,0|3,0,0]=4 9853 B12R1.8 CCCCCSC1CCOCC1 62a_100000210326_100011324220 [0,0,0,1,0,0|3,0,0]=4 9854 B12R1.8 CCCCCSC1CCSCC1 62a_100000210326_100000069128 [0,0,0,1,0,0|3,0,0]=4 9855 B12R1.8 CCCCNCC1CCCCC1 2230a_100000102301_100000211423 [0,0,0,1,0,0|2,0,0]=3 9856 B12R1.8 CCCCNCC1CCCCC1 2230a_100000210473_100000210211 [0,0,0,1,0,0|2,0,0]=3 9857 B12R1.8 CCCCNCC1CCCCC1 269862a_100000102301_100000211278 [0,0,0,1,0,0|2,0,0]=3 9858 B12R1.8 CCCCNCC1CCCCC1 34a_100000210473_100000210210 [0,0,0,1,0,0|2,0,0]=3 9859 B12R1.8 CCCCNCC1CCCCC1 7a_106832991798_100000211423 [0,0,0,1,0,0|2,0,0]=3 9860 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,0,0,1,0,0|1,0,0]=2 9861 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,0,0,1,0,0|1,0,0]=2 9862 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,0,0,1,0,0|1,0,0]=2 9863 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,0,0,1,0,0|1,0,0]=2 9864 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [0,0,0,1,0,0|3,0,0]=4 9865 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [0,0,0,1,0,0|3,0,0]=4 9866 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [0,0,0,1,0,0|3,0,0]=4 9867 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [0,0,0,1,0,0|3,0,0]=4 9868 B12R1.8 CCCCNCC1CCOCC1 2230a_100000102301_100000754603 [0,0,0,1,0,0|3,0,0]=4 9869 B12R1.8 CCCCNCC1CCOCC1 2230a_100000746373_100000210211 [0,0,0,1,0,0|3,0,0]=4 9870 B12R1.8 CCCCNCC1CCOCC1 269862a_100000102301_100000749017 [0,0,0,1,0,0|3,0,0]=4 9871 B12R1.8 CCCCNCC1CCOCC1 34a_100000746373_100000210210 [0,0,0,1,0,0|3,0,0]=4 9872 B12R1.8 CCCCNCC1CCOCC1 7a_106832991798_100000754603 [0,0,0,1,0,0|3,0,0]=4 9873 B12R1.8 CCCCNCC1CCSCC1 2230a_100015188806_100000210211 [0,0,0,1,0,0|3,0,0]=4 9874 B12R1.8 CCCCNCC1CCSCC1 269862a_100000102301_100000067145 [0,0,0,1,0,0|3,0,0]=4 9875 B12R1.8 CCCCNCC1CCSCC1 270004a_100000102301_100000067145 [0,0,0,1,0,0|3,0,0]=4 9876 B12R1.8 CCCCNCC1CCSCC1 34a_100015188806_100000210210 [0,0,0,1,0,0|3,0,0]=4 9877 B12R1.8 CCCCNC[C@H]1COCCO1 2230a_100010981119_100000210211 [0,0,0,1,0,0|2,0,0]=3 9878 B12R1.8 CCCCNC[C@H]1COCCO1 34a_100010981119_100000210210 [0,0,0,1,0,0|2,0,0]=3 9879 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [0,0,0,1,0,0|1,0,2]=4 9880 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [0,0,0,1,0,0|2,0,0]=3 9881 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [0,0,0,1,0,0|2,0,0]=3 9882 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [0,0,0,1,0,0|2,0,0]=3 9883 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [0,0,0,1,0,0|2,0,0]=3 9884 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [0,0,0,1,0,0|2,0,0]=3 9885 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,0,0,1,0,0|1,0,0]=2 9886 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,0,0,1,0,0|1,0,0]=2 9887 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,0,0,1,0,0|1,0,0]=2 9888 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,0,0,1,0,0|1,0,0]=2 9889 B12R1.8 CCCCOCC1CCCNC1 34a_100000211344_100000210210 [0,0,0,1,0,0|3,0,0]=4 9890 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [0,0,0,1,0,0|3,0,0]=4 9891 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [0,0,0,1,0,0|3,0,0]=4 9892 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [0,0,0,1,0,0|3,0,0]=4 9893 B12R1.8 CCCCOCC1CCNCC1 34a_100000738675_100000210210 [0,0,0,1,0,0|3,0,0]=4 9894 B12R1.8 CCCCOCC1CCOCC1 34a_100000210227_100000754603 [0,0,0,1,0,0|3,0,0]=4 9895 B12R1.8 CCCCOCC1CCOCC1 34a_100000749013_100000210210 [0,0,0,1,0,0|3,0,0]=4 9896 B12R1.8 CCCCOCC1CCOCC1 7a_100000210227_100000754603 [0,0,0,1,0,0|3,0,0]=4 9897 B12R1.8 CCCCOCC1CCSCC1 34a_100000070558_100000210210 [0,0,0,1,0,0|3,0,0]=4 9898 B12R1.8 CCCCOCC1CCSCC1 7a_100000070558_100000210211 [0,0,0,1,0,0|3,0,0]=4 9899 B12R1.8 CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000210210 [0,0,0,1,0,0|2,0,0]=3 9900 B12R1.8 CCCCOC[C@@H]1COCCN1 34a_100000717676_100000210210 [0,0,0,1,0,0|3,0,0]=4 9901 B12R1.8 CCCCOC[C@H]1COCCO1 34a_100009875890_100000210210 [0,0,0,1,0,0|2,0,0]=3 9902 B12R1.8 CCCCSCC1CCCCC1 62a_100000210211_100000211423 [0,0,0,1,0,0|2,0,0]=3 9903 B12R1.8 CCCCSCC1CCCCC1 62a_100000211423_100000210210 [0,0,0,1,0,0|2,0,0]=3 9904 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,0,0,1,0,0|1,0,0]=2 9905 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,0,0,1,0,0|1,0,0]=2 9906 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [0,0,0,1,0,0|3,0,0]=4 9907 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [0,0,0,1,0,0|3,0,0]=4 9908 B12R1.8 CCCCSCC1CCOCC1 62a_100000210211_100000749018 [0,0,0,1,0,0|3,0,0]=4 9909 B12R1.8 CCCCSCC1CCOCC1 62a_100000754603_100000210210 [0,0,0,1,0,0|3,0,0]=4 9910 B12R1.8 CCCNCCC1=CCCCC1 2230a_100000212019_100000210303 [0,0,0,1,0,0|2,0,1]=4 9911 B12R1.8 CCCNCCC1=CCCCC1 34a_100000212019_100000210303 [0,0,0,1,0,0|2,0,1]=4 9912 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [0,0,0,1,0,0|2,0,0]=3 9913 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [0,0,0,1,0,0|2,0,0]=3 9914 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [0,0,0,1,0,0|2,0,0]=3 9915 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,0,0,1,0,0|1,0,0]=2 9916 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,0,0,1,0,0|1,0,0]=2 9917 B12R1.8 CCCNCCC1CCOCC1 2230a_100000755988_100000210303 [0,0,0,1,0,0|3,0,0]=4 9918 B12R1.8 CCCNCCC1CCOCC1 34a_100000755988_100000210303 [0,0,0,1,0,0|3,0,0]=4 9919 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [0,0,0,1,0,0|2,0,0]=3 9920 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [0,0,0,1,0,0|2,0,0]=3 9921 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [0,0,0,1,0,0|2,0,0]=3 9922 B12R1.8 CCCOCCC1CCCCN1 34a_100000211664_100000210303 [0,0,0,1,0,0|2,0,0]=3 9923 B12R1.8 CCCOCCC1CCCNC1 34a_100000752241_100000210303 [0,0,0,1,0,0|3,0,0]=4 9924 B12R1.8 CCCOCCC1CCNCC1 34a_100015190746_100000210303 [0,0,0,1,0,0|3,0,0]=4 9925 B12R1.8 CCCOCCC1CCOCC1 34a_100000210258_100011934994 [0,0,0,1,0,0|3,0,0]=4 9926 B12R1.8 CCCOCCC1CCOCC1 34a_100011933979_100000210303 [0,0,0,1,0,0|3,0,0]=4 9927 B12R1.8 CCCOCCC1CCOCC1 7a_100011933979_100000210303 [0,0,0,1,0,0|3,0,0]=4 9928 B12R1.8 CCCOCCC1OCCCO1 34a_100000210258_100000764188 [0,0,0,1,0,0|2,0,0]=3 9929 B12R1.8 CCCOCCC1SCCCS1 34a_200011025297_100000210303 [0,0,0,1,0,0|2,1,0]=4 9930 B12R1.8 CCCOCCC1SCCCS1 7a_200011025297_100000210303 [0,0,0,1,0,0|2,1,0]=4 9931 B12R1.8 CCCOCCN1CCCCC1 34a_100000210258_100000739454 [0,0,0,1,0,0|3,0,0]=4 9932 B12R1.8 CCCOCC[C@@H]1CNCCN1 34a_100016989929_100000210303 [0,0,0,1,0,0|3,0,0]=4 9933 B12R1.8 CCCOCOC1CCCCC1 34a_100000210258_100011935260 [0,0,0,1,0,0|3,0,0]=4 9934 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [0,0,0,1,0,0|2,0,0]=3 9935 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [0,0,0,1,0,0|2,0,0]=3 9936 B12R1.8 CCCSCCC1CCOCC1 62a_100000210303_100011934994 [0,0,0,1,0,0|3,0,0]=4 9937 B12R1.8 CCCSCCC1CCOCC1 62a_100011934994_100000210303 [0,0,0,1,0,0|3,0,0]=4 9938 B12R1.8 CCCSCCC1OCCCO1 62a_100000210303_100000764188 [0,0,0,1,0,0|2,0,0]=3 9939 B12R1.8 CCCSCCC1OCCCO1 62a_100000764188_100000210303 [0,0,0,1,0,0|2,0,0]=3 9940 B12R1.8 CCCSCCN1CCCCC1 62a_100000210303_100000739454 [0,0,0,1,0,0|3,0,0]=4 9941 B12R1.8 CCCSCCN1CCCCC1 62a_100000739454_100000210303 [0,0,0,1,0,0|3,0,0]=4 9942 B12R1.8 CCCSCOC1CCCCC1 62a_100000210303_100011935260 [0,0,0,1,0,0|3,0,0]=4 9943 B12R1.8 CCCSCOC1CCCCC1 62a_100011935260_100000210303 [0,0,0,1,0,0|3,0,0]=4 9944 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [0,0,0,1,0,0|2,0,0]=3 9945 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [0,0,0,1,0,0|2,0,0]=3 9946 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [0,0,0,1,0,0|2,0,0]=3 9947 B12R1.8 CCNCCCN1CCCCC1 2230a_100015525214_100000690320 [0,0,0,1,0,0|3,0,0]=4 9948 B12R1.8 CCNCCOC1CCCCC1 2230a_100015525214_100011211530 [0,0,0,1,0,0|3,0,0]=4 9949 B12R1.8 CCNCCOC1CCCCC1 34a_100015206981_100000210202 [0,0,0,1,0,0|3,0,0]=4 9950 B12R1.8 CCNCCOC1CCCCO1 2230a_100015525214_100000744793 [0,0,0,1,0,0|2,0,0]=3 9951 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [0,0,0,1,0,0|2,0,0]=3 9952 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [0,0,0,1,0,0|2,0,0]=3 9953 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [0,0,0,1,0,0|2,0,0]=3 9954 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [0,0,0,1,0,0|2,0,0]=3 9955 B12R1.8 CCOCCCC1CCCNC1 34a_100150707839_100000210202 [0,0,0,1,0,0|3,0,0]=4 9956 B12R1.8 CCOCCCC1CCNCC1 34a_100016988962_100000210202 [0,0,0,1,0,0|3,0,0]=4 9957 B12R1.8 CCOCCCN1CCCCC1 34a_100000212458_100000210202 [0,0,0,1,0,0|3,0,0]=4 9958 B12R1.8 CCOCCCN1CCCCC1 34a_100121572206_100000690320 [0,0,0,1,0,0|3,0,0]=4 9959 B12R1.8 CCOCCNC1CCCCC1 2230a_100000182618_100011215890 [0,0,0,1,0,0|3,0,0]=4 9960 B12R1.8 CCOCCNC1CCCCC1 270004a_102516460346_100000210434 [0,0,0,1,0,0|3,0,0]=4 9961 B12R1.8 CCOCCNC1CCCCC1 34a_100000182618_100000210147 [0,0,0,1,0,0|3,0,0]=4 9962 B12R1.8 CCOCCNC1CCCCC1 34a_100000200466_100000210202 [0,0,0,1,0,0|3,0,0]=4 9963 B12R1.8 CCOCCNC1CCCCC1 34a_102516460346_100000210327 [0,0,0,1,0,0|3,0,0]=4 9964 B12R1.8 CCOCCOC1CCCCC1 34a_100000210136_100000210327 [0,0,0,1,0,0|3,0,0]=4 9965 B12R1.8 CCOCCOC1CCCCC1 34a_100000210231_100000210147 [0,0,0,1,0,0|3,0,0]=4 9966 B12R1.8 CCOCCOC1CCCCC1 34a_100011249652_100000210202 [0,0,0,1,0,0|3,0,0]=4 9967 B12R1.8 CCOCCOC1CCCCC1 34a_100121572206_100011211530 [0,0,0,1,0,0|3,0,0]=4 9968 B12R1.8 CCOCCOC1CCCCC1 7a_100000210136_100000210327 [0,0,0,1,0,0|3,0,0]=4 9969 B12R1.8 CCOCCOC1CCCCC1 7a_100000210231_100011215890 [0,0,0,1,0,0|3,0,0]=4 9970 B12R1.8 CCOCCOC1CCCCC1 7a_100011249652_100000210202 [0,0,0,1,0,0|3,0,0]=4 9971 B12R1.8 CCOCCOC1CCCCO1 34a_100000033831_100000210147 [0,0,0,1,0,0|2,0,0]=3 9972 B12R1.8 CCOCCOC1CCCCO1 34a_100000034223_100000210202 [0,0,0,1,0,0|2,0,0]=3 9973 B12R1.8 CCOCCOC1CCCCO1 34a_100121572206_100000744793 [0,0,0,1,0,0|2,0,0]=3 9974 B12R1.8 CCOCCOC1CCCCO1 7a_100000034223_100000210202 [0,0,0,1,0,0|2,0,0]=3 9975 B12R1.8 CCOCCSC1CCCCC1 62a_100000210147_100000210327 [0,0,0,1,0,0|3,0,0]=4 9976 B12R1.8 CCOCCSC1CCCCC1 62a_100000210327_100011215890 [0,0,0,1,0,0|3,0,0]=4 9977 B12R1.8 CCOCSCC1CCCCC1 62a_100000211423_100000739092 [0,0,0,1,0,0|3,0,0]=4 9978 B12R1.8 CCOCSCC1CCCCC1 62a_100000739092_100000211423 [0,0,0,1,0,0|3,0,0]=4 9979 B12R1.8 CCOCSCC1CCCCO1 62a_100000211543_100000739092 [0,0,0,1,0,0|2,0,0]=3 9980 B12R1.8 CCOCSCC1CCCCO1 62a_100000739092_100000211543 [0,0,0,1,0,0|2,0,0]=3 9981 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [0,0,0,1,0,0|2,0,0]=3 9982 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [0,0,0,1,0,0|2,0,0]=3 9983 B12R1.8 CCSCCCN1CCCCC1 62a_100000210202_100000007876 [0,0,0,1,0,0|3,0,0]=4 9984 B12R1.8 CCSCCCN1CCCCC1 62a_100132302099_100000210202 [0,0,0,1,0,0|3,0,0]=4 9985 B12R1.8 CCSCCNC1CCCCC1 2230a_100000182618_100000757381 [0,0,0,1,0,0|3,0,0]=4 9986 B12R1.8 CCSCCNC1CCCCC1 270004a_100000106463_100000210434 [0,0,0,1,0,0|3,0,0]=4 9987 B12R1.8 CCSCCNC1CCCCC1 34a_100000182618_100000757381 [0,0,0,1,0,0|3,0,0]=4 9988 B12R1.8 CCSCCOC1CCCCC1 34a_100000210231_100000757381 [0,0,0,1,0,0|3,0,0]=4 9989 B12R1.8 CCSCCOC1CCCCC1 34a_100000212035_100000210327 [0,0,0,1,0,0|3,0,0]=4 9990 B12R1.8 CCSCCOC1CCCCC1 62a_100000210202_100011211530 [0,0,0,1,0,0|3,0,0]=4 9991 B12R1.8 CCSCCOC1CCCCC1 62a_100011211530_100000210202 [0,0,0,1,0,0|3,0,0]=4 9992 B12R1.8 CCSCCOC1CCCCC1 7a_100000210231_100000757381 [0,0,0,1,0,0|3,0,0]=4 9993 B12R1.8 CCSCCOC1CCCCC1 7a_100000212035_100000210327 [0,0,0,1,0,0|3,0,0]=4 9994 B12R1.8 CCSCCOC1CCCCO1 34a_100000033831_100000757381 [0,0,0,1,0,0|2,0,0]=3 9995 B12R1.8 CCSCCOC1CCCCO1 62a_100000210202_100000744793 [0,0,0,1,0,0|2,0,0]=3 9996 B12R1.8 CCSCCOC1CCCCO1 62a_100000744793_100000210202 [0,0,0,1,0,0|2,0,0]=3 9997 B12R1.8 CCSCCSC1CCCCC1 62a_100000210327_100000757381 [0,0,0,1,0,0|3,0,0]=4 9998 B12R1.8 CCSCCSC1CCCCC1 62a_100000757381_100000210327 [0,0,0,1,0,0|3,0,0]=4 9999 B12R1.8 CNCCCOC1CCCCC1 34a_100000205933_200000210301 [0,0,0,1,0,0|3,0,0]=4 10000 B12R1.8 CNCCCOC1CCCCC1 34a_100000213112_100000210327 [0,0,0,1,0,0|3,0,0]=4 10001 B12R1.8 CNCCCOC1CCCCO1 2230a_106832991635_100000700653 [0,0,0,1,0,0|2,0,0]=3 10002 B12R1.8 CNCCCOC1CCCCO1 34a_100102657272_100000700653 [0,0,0,1,0,0|2,0,0]=3 10003 B12R1.8 CNCCCOC1CCCCO1 7a_106832991635_100000700653 [0,0,0,1,0,0|2,0,0]=3 10004 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [0,0,0,1,0,0|2,0,0]=3 10005 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [0,0,0,1,0,0|2,0,0]=3 10006 B12R1.8 COCCCCC1CCNCC1 34a_100016989291_200000210301 [0,0,0,1,0,0|3,0,0]=4 10007 B12R1.8 COCCCNC1CCCCC1 2230a_100000182618_100000740836 [0,0,0,1,0,0|3,0,0]=4 10008 B12R1.8 COCCCNC1CCCCC1 270004a_100150723488_100000210434 [0,0,0,1,0,0|3,0,0]=4 10009 B12R1.8 COCCCNC1CCCCC1 34a_100000182618_100000740836 [0,0,0,1,0,0|3,0,0]=4 10010 B12R1.8 COCCCNC1CCCCC1 34a_100150723488_100000210327 [0,0,0,1,0,0|3,0,0]=4 10011 B12R1.8 COCCCOC1CCCCC1 34a_100000210231_100000740836 [0,0,0,1,0,0|3,0,0]=4 10012 B12R1.8 COCCCOC1CCCCC1 34a_100000740835_100000210327 [0,0,0,1,0,0|3,0,0]=4 10013 B12R1.8 COCCCOC1CCCCC1 7a_100000210231_100000740836 [0,0,0,1,0,0|3,0,0]=4 10014 B12R1.8 COCCCOC1CCCCO1 34a_100000033831_100000740836 [0,0,0,1,0,0|2,0,0]=3 10015 B12R1.8 COCCCOC1CCCCO1 34a_100138415774_100000700653 [0,0,0,1,0,0|2,0,0]=3 10016 B12R1.8 COCCCSC1CCCCC1 62a_100000210327_100000709357 [0,0,0,1,0,0|3,0,0]=4 10017 B12R1.8 COCCCSC1CCCCC1 62a_100000709357_100000210327 [0,0,0,1,0,0|3,0,0]=4 10018 B12R1.8 COCCNCC1CCCCC1 2230a_100000209980_100000211423 [0,0,0,1,0,0|3,0,0]=4 10019 B12R1.8 COCCNCC1CCCCC1 2230a_100000210473_100011201679 [0,0,0,1,0,0|3,0,0]=4 10020 B12R1.8 COCCNCC1CCCCC1 269862a_100000209980_100000211278 [0,0,0,1,0,0|3,0,0]=4 10021 B12R1.8 COCCNCC1CCCCC1 34a_100000210473_100011201679 [0,0,0,1,0,0|3,0,0]=4 10022 B12R1.8 COCCNCC1CCCCO1 2230a_100000174945_100011201679 [0,0,0,1,0,0|2,0,0]=3 10023 B12R1.8 COCCNCC1CCCCO1 2230a_100000209980_100000211543 [0,0,0,1,0,0|2,0,0]=3 10024 B12R1.8 COCCNCC1CCCCO1 34a_100000174945_100011201679 [0,0,0,1,0,0|2,0,0]=3 10025 B12R1.8 COCCNC[C@H]1COCCO1 2230a_100010981119_100011201679 [0,0,0,1,0,0|3,0,0]=4 10026 B12R1.8 COCCNC[C@H]1COCCO1 34a_100010981119_100011201679 [0,0,0,1,0,0|3,0,0]=4 10027 B12R1.8 COCCOCC1CCCCC1 34a_100000210237_100000211423 [0,0,0,1,0,0|3,0,0]=4 10028 B12R1.8 COCCOCC1CCCCC1 34a_100000212181_100011201679 [0,0,0,1,0,0|3,0,0]=4 10029 B12R1.8 COCCOCC1CCCCC1 7a_100000212181_100000233755 [0,0,0,1,0,0|3,0,0]=4 10030 B12R1.8 COCCOCC1CCCCN1 34a_100000210821_100011201679 [0,0,0,1,0,0|3,0,0]=4 10031 B12R1.8 COCCOCC1CCCCO1 34a_100000210237_100000211543 [0,0,0,1,0,0|2,0,0]=3 10032 B12R1.8 COCCOCC1CCCCO1 34a_100000211370_100011201679 [0,0,0,1,0,0|2,0,0]=3 10033 B12R1.8 COCCOCC1CCCCO1 7a_100000211370_100000233755 [0,0,0,1,0,0|2,0,0]=3 10034 B12R1.8 COCCOC[C@@H]1CNCCO1 34a_100015189573_100011201679 [0,0,0,1,0,0|3,0,0]=4 10035 B12R1.8 COCCOC[C@H]1COCCO1 34a_100009875890_100011201679 [0,0,0,1,0,0|3,0,0]=4 10036 B12R1.8 COCCSCC1CCCCC1 62a_100000211423_100000233755 [0,0,0,1,0,0|3,0,0]=4 10037 B12R1.8 COCCSCC1CCCCC1 62a_100000233755_100000211423 [0,0,0,1,0,0|3,0,0]=4 10038 B12R1.8 COCCSCC1CCCCO1 62a_100000211543_100000233755 [0,0,0,1,0,0|2,0,0]=3 10039 B12R1.8 COCCSCC1CCCCO1 62a_100000233755_100000211543 [0,0,0,1,0,0|2,0,0]=3 10040 B12R1.8 COCNCCC1CCCCC1 2230a_100000738074_100000766300 [0,0,0,1,0,0|3,0,0]=4 10041 B12R1.8 COCNCCC1CCCCO1 2230a_100015183643_100000766300 [0,0,0,1,0,0|2,0,0]=3 10042 B12R1.8 COCSCCC1CCCCC1 62a_100000766300_100012355289 [0,0,0,1,0,0|3,0,0]=4 10043 B12R1.8 COCSCCC1CCCCC1 62a_100012355289_100000766300 [0,0,0,1,0,0|3,0,0]=4 10044 B12R1.8 COCSCCC1OCCCO1 62a_100000764188_100000766300 [0,0,0,1,0,0|3,0,0]=4 10045 B12R1.8 COCSCCC1OCCCO1 62a_100000766300_100000764188 [0,0,0,1,0,0|3,0,0]=4 10046 B12R1.8 CSCCCNC1CCCCC1 270004a_100000749238_100000210434 [0,0,0,1,0,0|3,0,0]=4 10047 B12R1.8 CSCCCOC1CCCCC1 34a_100000690336_100000210327 [0,0,0,1,0,0|3,0,0]=4 10048 B12R1.8 CSCCCOC1CCCCC1 7a_100000690336_100000210327 [0,0,0,1,0,0|3,0,0]=4 10049 B12R1.8 CSCCCOC1CCCCO1 62a_100000700653_200000210301 [0,0,0,1,0,0|2,0,0]=3 10050 B12R1.8 CSCCCOC1CCCCO1 62a_200000210301_100000700653 [0,0,0,1,0,0|2,0,0]=3 10051 B12R1.8 CSCCNCC1CCCCC1 2230a_100000210473_100000751147 [0,0,0,1,0,0|3,0,0]=4 10052 B12R1.8 CSCCNCC1CCCCC1 2230a_100020590264_100000211423 [0,0,0,1,0,0|3,0,0]=4 10053 B12R1.8 CSCCNCC1CCCCC1 269862a_100020590264_100000211278 [0,0,0,1,0,0|3,0,0]=4 10054 B12R1.8 CSCCNCC1CCCCC1 34a_100000210473_100000212216 [0,0,0,1,0,0|3,0,0]=4 10055 B12R1.8 CSCCNCC1CCCCO1 2230a_100000174945_100000751147 [0,0,0,1,0,0|2,0,0]=3 10056 B12R1.8 CSCCNCC1CCCCO1 2230a_100020590264_100000211543 [0,0,0,1,0,0|2,0,0]=3 10057 B12R1.8 CSCCNCC1CCCCO1 34a_100000174945_100000212216 [0,0,0,1,0,0|2,0,0]=3 10058 B12R1.8 CSCCNC[C@H]1COCCO1 2230a_100010981119_100000751147 [0,0,0,1,0,0|3,0,0]=4 10059 B12R1.8 CSCCNC[C@H]1COCCO1 34a_100010981119_100000212216 [0,0,0,1,0,0|3,0,0]=4 10060 B12R1.8 CSCCOCC1CCCCC1 34a_100000212181_100000212216 [0,0,0,1,0,0|3,0,0]=4 10061 B12R1.8 CSCCOCC1CCCCC1 34a_100000230434_100000211423 [0,0,0,1,0,0|3,0,0]=4 10062 B12R1.8 CSCCOCC1CCCCC1 7a_100000212181_100000212216 [0,0,0,1,0,0|3,0,0]=4 10063 B12R1.8 CSCCOCC1CCCCC1 7a_100000230434_100000211423 [0,0,0,1,0,0|3,0,0]=4 10064 B12R1.8 CSCCOCC1CCCCN1 34a_100000210821_100000212216 [0,0,0,1,0,0|3,0,0]=4 10065 B12R1.8 CSCCOCC1CCCCO1 34a_100000211370_100000212216 [0,0,0,1,0,0|2,0,0]=3 10066 B12R1.8 CSCCOCC1CCCCO1 34a_100000230434_100000211543 [0,0,0,1,0,0|2,0,0]=3 10067 B12R1.8 CSCCOCC1CCCCO1 7a_100000211370_100000212216 [0,0,0,1,0,0|2,0,0]=3 10068 B12R1.8 CSCCOCC1CCCCO1 7a_100000230434_100000211543 [0,0,0,1,0,0|2,0,0]=3 10069 B12R1.8 CSCCOC[C@@H]1CNCCO1 34a_100015189573_100000212216 [0,0,0,1,0,0|3,0,0]=4 10070 B12R1.8 CSCCOC[C@H]1COCCO1 34a_100009875890_100000212216 [0,0,0,1,0,0|3,0,0]=4 10071 B12R1.8 CSCCSCC1CCCCC1 62a_100000211423_100000751147 [0,0,0,1,0,0|3,0,0]=4 10072 B12R1.8 CSCCSCC1CCCCC1 62a_100000212216_100000211423 [0,0,0,1,0,0|3,0,0]=4 10073 B12R1.8 CSCCSCC1CCCCO1 62a_100000211543_100000751147 [0,0,0,1,0,0|2,0,0]=3 10074 B12R1.8 CSCCSCC1CCCCO1 62a_100000212216_100000211543 [0,0,0,1,0,0|2,0,0]=3 10075 B12R1.8 CSCNCCC1CCCCC1 2230a_100000738074_100011218213 [0,0,0,1,0,0|3,0,0]=4 10076 B12R1.8 CSCNCCC1CCCCC1 34a_100000738074_100011218213 [0,0,0,1,0,0|3,0,0]=4 10077 B12R1.8 CSCNCCC1CCCCO1 2230a_100015183643_100011218213 [0,0,0,1,0,0|2,0,0]=3 10078 B12R1.8 CSCNCCC1CCCCO1 34a_100015183643_100011218213 [0,0,0,1,0,0|2,0,0]=3 10079 B12R1.8 CSCOCCC1CCCCC1 34a_100011217863_100011218213 [0,0,0,1,0,0|3,0,0]=4 10080 B12R1.8 CSCOCCC1CCCCN1 34a_100000211664_100011218213 [0,0,0,1,0,0|3,0,0]=4 10081 B12R1.8 CSCSCCC1CCCCC1 62a_100011218213_100012355289 [0,0,0,1,0,0|3,0,0]=4 10082 B12R1.8 CSCSCCC1CCCCC1 62a_100012355289_100011218213 [0,0,0,1,0,0|3,0,0]=4 10083 B12R1.8 CSCSCCC1OCCCO1 62a_100000764188_100011218213 [0,0,0,1,0,0|3,0,0]=4 10084 B12R1.8 CSCSCCC1OCCCO1 62a_100011218213_100000764188 [0,0,0,1,0,0|3,0,0]=4 10085 B12R1.8 ClCCCCOC1CCCCC1 34a_100000210776_100000210327 [0,0,0,1,0,0|2,0,0]=3 10086 B12R1.8 ClCCCCOC1CCCCC1 7a_100000210776_100000210327 [0,0,0,1,0,0|2,0,0]=3 10087 B12R1.8 ClCCCCOC1CCCOC1 34a_100000210776_100000693364 [0,0,0,1,0,0|3,0,0]=4 10088 B12R1.8 ClCCCCOC1CCCOC1 7a_100000210776_100000693364 [0,0,0,1,0,0|3,0,0]=4 10089 B12R1.8 ClCCCCOC1CCOCC1 7a_100000210776_100000686592 [0,0,0,1,0,0|3,0,0]=4 10090 B12R1.8 ClCCCCOC1CCSCC1 34a_100000210776_100000069128 [0,0,0,1,0,0|3,0,0]=4 10091 B12R1.8 ClCCCCOC1CCSCC1 7a_100000210776_100011500858 [0,0,0,1,0,0|3,0,0]=4 10092 B12R1.8 ClCCCOCC1CCCCC1 34a_100000230001_100000211423 [0,0,0,1,0,0|2,0,0]=3 10093 B12R1.8 ClCCCOCC1CCCCO1 34a_100000230001_100000211543 [0,0,0,1,0,0|2,0,0]=3 10094 B12R1.8 ClCCCOCC1CCCOC1 34a_100000230001_100000741521 [0,0,0,1,0,0|3,0,0]=4 10095 B12R1.8 ClCCCOCC1CCOCC1 34a_100000230001_100000754603 [0,0,0,1,0,0|3,0,0]=4 10096 B12R1.8 FCCCCCN1CCCOC1 2230a_100000131196_100000729378 [0,0,0,1,0,0|3,0,0]=4 10097 B12R1.8 FCCCCCN1CCCOC1 269982a_100000131196_100000729378 [0,0,0,1,0,0|3,0,0]=4 10098 B12R1.8 FCCCCCN1CCCOC1 34a_100000131196_100000729378 [0,0,0,1,0,0|3,0,0]=4 10099 B12R1.8 FCCCCCN1CCOCC1 2230a_100015191051_100000729378 [0,0,0,1,0,0|3,0,0]=4 10100 B12R1.8 FCCCCCN1CCOCC1 269982a_100015191051_100000729378 [0,0,0,1,0,0|3,0,0]=4 10101 B12R1.8 FCCCCCN1CCOCC1 34a_100015191051_100000729378 [0,0,0,1,0,0|3,0,0]=4 10102 B12R1.8 FCCCCCN1CCSCC1 2230a_100000737611_100000729378 [0,0,0,1,0,0|3,0,0]=4 10103 B12R1.8 FCCCCCN1CCSCC1 269982a_100000737611_100000729378 [0,0,0,1,0,0|3,0,0]=4 10104 B12R1.8 FCCCCNC1CCCCC1 2230a_100000182618_100000729493 [0,0,0,1,0,0|2,0,0]=3 10105 B12R1.8 FCCCCNC1CCCCC1 34a_100000182618_100000729493 [0,0,0,1,0,0|2,0,0]=3 10106 B12R1.8 FCCCCNC1CCCOC1 2230a_100000719290_100000729493 [0,0,0,1,0,0|3,0,0]=4 10107 B12R1.8 FCCCCNC1CCCOC1 34a_100000719290_100000729493 [0,0,0,1,0,0|3,0,0]=4 10108 B12R1.8 FCCCCNC1CCOCC1 2230a_100000741149_100000729493 [0,0,0,1,0,0|3,0,0]=4 10109 B12R1.8 FCCCCNC1CCOCC1 34a_100000741149_100000729493 [0,0,0,1,0,0|3,0,0]=4 10110 B12R1.8 FCCCCNC1CCSCC1 2230a_100000748639_100000729493 [0,0,0,1,0,0|3,0,0]=4 10111 B12R1.8 FCCCCNC1CCSCC1 34a_100000748639_100000729493 [0,0,0,1,0,0|3,0,0]=4 10112 B12R1.8 FCCCCOC1CCCCC1 34a_100000210231_100000729493 [0,0,0,1,0,0|2,0,0]=3 10113 B12R1.8 FCCCCOC1CCCCC1 34a_100011995726_100000210327 [0,0,0,1,0,0|2,0,0]=3 10114 B12R1.8 FCCCCOC1CCCCC1 7a_100000210231_100000729493 [0,0,0,1,0,0|2,0,0]=3 10115 B12R1.8 FCCCCOC1CCCCC1 7a_100011995726_100000210327 [0,0,0,1,0,0|2,0,0]=3 10116 B12R1.8 FCCCCOC1CCCCO1 34a_100000033831_100000729493 [0,0,0,1,0,0|2,0,0]=3 10117 B12R1.8 FCCCCOC1CCCOC1 34a_100000754041_100000729493 [0,0,0,1,0,0|3,0,0]=4 10118 B12R1.8 FCCCCOC1CCCOC1 34a_100011995726_100000693364 [0,0,0,1,0,0|3,0,0]=4 10119 B12R1.8 FCCCCOC1CCCOC1 7a_100011995726_100000693364 [0,0,0,1,0,0|3,0,0]=4 10120 B12R1.8 FCCCCOC1CCCSC1 7a_100015962668_100000729493 [0,0,0,1,0,0|3,0,0]=4 10121 B12R1.8 FCCCCOC1CCOCC1 34a_100000744328_100000729493 [0,0,0,1,0,0|3,0,0]=4 10122 B12R1.8 FCCCCOC1CCOCC1 7a_100011995726_100000686592 [0,0,0,1,0,0|3,0,0]=4 10123 B12R1.8 FCCCCOC1CCSCC1 34a_100000731022_100000729493 [0,0,0,1,0,0|3,0,0]=4 10124 B12R1.8 FCCCCOC1CCSCC1 34a_100011995726_100000069128 [0,0,0,1,0,0|3,0,0]=4 10125 B12R1.8 FCCCCOC1CCSCC1 7a_100000731022_100000729493 [0,0,0,1,0,0|3,0,0]=4 10126 B12R1.8 FCCCCOC1CCSCC1 7a_100011995726_100011500858 [0,0,0,1,0,0|3,0,0]=4 10127 B12R1.8 FCCCCSC1CCCCC1 62a_100000210327_100000729493 [0,0,0,1,0,0|2,0,0]=3 10128 B12R1.8 FCCCCSC1CCCCC1 62a_100000729493_100000210327 [0,0,0,1,0,0|2,0,0]=3 10129 B12R1.8 FCCCCSC1CCCOC1 62a_100000729493_100000693364 [0,0,0,1,0,0|3,0,0]=4 10130 B12R1.8 FCCCCSC1CCOCC1 62a_100000729493_100011324220 [0,0,0,1,0,0|3,0,0]=4 10131 B12R1.8 FCCCCSC1CCSCC1 62a_100000729493_100000069128 [0,0,0,1,0,0|3,0,0]=4 10132 B12R1.8 FCCCNCC1CCCCC1 2230a_100000210473_100011934791 [0,0,0,1,0,0|2,0,0]=3 10133 B12R1.8 FCCCNCC1CCCCC1 2230a_100015189416_100000211423 [0,0,0,1,0,0|2,0,0]=3 10134 B12R1.8 FCCCNCC1CCCCC1 269862a_100015189416_100000211278 [0,0,0,1,0,0|2,0,0]=3 10135 B12R1.8 FCCCNCC1CCCCC1 34a_100000210473_100011934791 [0,0,0,1,0,0|2,0,0]=3 10136 B12R1.8 FCCCNCC1CCCCC1 34a_100015189416_100000211423 [0,0,0,1,0,0|2,0,0]=3 10137 B12R1.8 FCCCNCC1CCCCO1 2230a_100000174945_100011934791 [0,0,0,1,0,0|2,0,0]=3 10138 B12R1.8 FCCCNCC1CCCCO1 2230a_100015189416_100000211543 [0,0,0,1,0,0|2,0,0]=3 10139 B12R1.8 FCCCNCC1CCCCO1 34a_100000174945_100011934791 [0,0,0,1,0,0|2,0,0]=3 10140 B12R1.8 FCCCNCC1CCCCO1 34a_100015189416_100000211543 [0,0,0,1,0,0|2,0,0]=3 10141 B12R1.8 FCCCNCC1CCCOC1 2230a_100000720124_100011934791 [0,0,0,1,0,0|3,0,0]=4 10142 B12R1.8 FCCCNCC1CCCOC1 2230a_100015189416_100000741521 [0,0,0,1,0,0|3,0,0]=4 10143 B12R1.8 FCCCNCC1CCCOC1 34a_100000720124_100011934791 [0,0,0,1,0,0|3,0,0]=4 10144 B12R1.8 FCCCNCC1CCCOC1 34a_100015189416_100000741521 [0,0,0,1,0,0|3,0,0]=4 10145 B12R1.8 FCCCNCC1CCOCC1 2230a_100000746373_100011934791 [0,0,0,1,0,0|3,0,0]=4 10146 B12R1.8 FCCCNCC1CCOCC1 2230a_100015189416_100000754603 [0,0,0,1,0,0|3,0,0]=4 10147 B12R1.8 FCCCNCC1CCOCC1 269862a_100015189416_100000749017 [0,0,0,1,0,0|3,0,0]=4 10148 B12R1.8 FCCCNCC1CCOCC1 34a_100000746373_100011934791 [0,0,0,1,0,0|3,0,0]=4 10149 B12R1.8 FCCCNCC1CCOCC1 34a_100015189416_100000754603 [0,0,0,1,0,0|3,0,0]=4 10150 B12R1.8 FCCCNCC1CCSCC1 2230a_100015188806_100011934791 [0,0,0,1,0,0|3,0,0]=4 10151 B12R1.8 FCCCNCC1CCSCC1 269862a_100015189416_100000067145 [0,0,0,1,0,0|3,0,0]=4 10152 B12R1.8 FCCCNCC1CCSCC1 270004a_100015189416_100000067145 [0,0,0,1,0,0|3,0,0]=4 10153 B12R1.8 FCCCNCC1CCSCC1 34a_100015188806_100011934791 [0,0,0,1,0,0|3,0,0]=4 10154 B12R1.8 FCCCNC[C@H]1COCCO1 2230a_100010981119_100011934791 [0,0,0,1,0,0|3,0,0]=4 10155 B12R1.8 FCCCNC[C@H]1COCCO1 34a_100010981119_100011934791 [0,0,0,1,0,0|3,0,0]=4 10156 B12R1.8 FCCCOCC1CCCCC1 34a_100000212181_100011934791 [0,0,0,1,0,0|2,0,0]=3 10157 B12R1.8 FCCCOCC1CCCCC1 34a_100000759539_100000211423 [0,0,0,1,0,0|2,0,0]=3 10158 B12R1.8 FCCCOCC1CCCCC1 7a_100000212181_100011934791 [0,0,0,1,0,0|2,0,0]=3 10159 B12R1.8 FCCCOCC1CCCCN1 34a_100000210821_100011934791 [0,0,0,1,0,0|3,0,0]=4 10160 B12R1.8 FCCCOCC1CCCCO1 34a_100000211370_100011934791 [0,0,0,1,0,0|2,0,0]=3 10161 B12R1.8 FCCCOCC1CCCCO1 34a_100000759539_100000211543 [0,0,0,1,0,0|2,0,0]=3 10162 B12R1.8 FCCCOCC1CCCCO1 7a_100000211370_100011934791 [0,0,0,1,0,0|2,0,0]=3 10163 B12R1.8 FCCCOCC1CCCNC1 34a_100000211344_100011934791 [0,0,0,1,0,0|3,0,0]=4 10164 B12R1.8 FCCCOCC1CCCOC1 34a_100000741520_100011934791 [0,0,0,1,0,0|3,0,0]=4 10165 B12R1.8 FCCCOCC1CCCOC1 34a_100000759539_100000741521 [0,0,0,1,0,0|3,0,0]=4 10166 B12R1.8 FCCCOCC1CCNCC1 34a_100000738675_100011934791 [0,0,0,1,0,0|3,0,0]=4 10167 B12R1.8 FCCCOCC1CCOCC1 34a_100000749013_100011934791 [0,0,0,1,0,0|3,0,0]=4 10168 B12R1.8 FCCCOCC1CCOCC1 34a_100000759539_100000754603 [0,0,0,1,0,0|3,0,0]=4 10169 B12R1.8 FCCCOCC1CCSCC1 34a_100000070558_100011934791 [0,0,0,1,0,0|3,0,0]=4 10170 B12R1.8 FCCCOCC1CCSCC1 7a_100000070558_100011934791 [0,0,0,1,0,0|3,0,0]=4 10171 B12R1.8 FCCCOC[C@@H]1CNCCO1 34a_100015189573_100011934791 [0,0,0,1,0,0|3,0,0]=4 10172 B12R1.8 FCCCOC[C@H]1COCCO1 34a_100009875890_100011934791 [0,0,0,1,0,0|3,0,0]=4 10173 B12R1.8 FCCCSCC1CCCCC1 62a_100000211423_100011934791 [0,0,0,1,0,0|2,0,0]=3 10174 B12R1.8 FCCCSCC1CCCCC1 62a_100011934791_100000211423 [0,0,0,1,0,0|2,0,0]=3 10175 B12R1.8 FCCCSCC1CCCCO1 62a_100000211543_100011934791 [0,0,0,1,0,0|2,0,0]=3 10176 B12R1.8 FCCCSCC1CCCCO1 62a_100011934791_100000211543 [0,0,0,1,0,0|2,0,0]=3 10177 B12R1.8 FCCCSCC1CCCOC1 62a_100000741521_100011934791 [0,0,0,1,0,0|3,0,0]=4 10178 B12R1.8 FCCCSCC1CCCOC1 62a_100011934791_100000741521 [0,0,0,1,0,0|3,0,0]=4 10179 B12R1.8 FCCCSCC1CCOCC1 62a_100000754603_100011934791 [0,0,0,1,0,0|3,0,0]=4 10180 B12R1.8 FCCCSCC1CCOCC1 62a_100011934791_100000749018 [0,0,0,1,0,0|3,0,0]=4 10181 B12R1.8 FCCNCCC1CCCCC1 2230a_100000738074_100011217306 [0,0,0,1,0,0|2,0,0]=3 10182 B12R1.8 FCCNCCC1CCCCC1 34a_100000724931_100011209188 [0,0,0,1,0,0|2,0,0]=3 10183 B12R1.8 FCCNCCC1CCCCC1 34a_100000738074_100011217306 [0,0,0,1,0,0|2,0,0]=3 10184 B12R1.8 FCCNCCC1CCCCO1 2230a_100015183643_100011217306 [0,0,0,1,0,0|2,0,0]=3 10185 B12R1.8 FCCNCCC1CCCCO1 34a_100015183643_100011217306 [0,0,0,1,0,0|2,0,0]=3 10186 B12R1.8 FCCNCCC1CCOCC1 2230a_100000755988_100011217306 [0,0,0,1,0,0|3,0,0]=4 10187 B12R1.8 FCCNCCC1CCOCC1 34a_100000724931_100011934994 [0,0,0,1,0,0|3,0,0]=4 10188 B12R1.8 FCCNCCC1CCOCC1 34a_100000755988_100011217306 [0,0,0,1,0,0|3,0,0]=4 10189 B12R1.8 FCCNCCC1OCCCO1 34a_100000724931_100000764188 [0,0,0,1,0,0|3,0,0]=4 10190 B12R1.8 FCCNCCN1CCCCC1 34a_100000724931_100000739454 [0,0,0,1,0,0|3,0,0]=4 10191 B12R1.8 FCCNCOC1CCCCC1 34a_100000724931_100011935260 [0,0,0,1,0,0|3,0,0]=4 10192 B12R1.8 FCCOCCC1CCCCC1 34a_100011217863_100011217306 [0,0,0,1,0,0|2,0,0]=3 10193 B12R1.8 FCCOCCC1CCCCC1 7a_100011217863_100011217306 [0,0,0,1,0,0|2,0,0]=3 10194 B12R1.8 FCCOCCC1CCCCN1 34a_100000211664_100011217306 [0,0,0,1,0,0|3,0,0]=4 10195 B12R1.8 FCCOCCC1CCCNC1 34a_100000752241_100011217306 [0,0,0,1,0,0|3,0,0]=4 10196 B12R1.8 FCCOCCC1CCNCC1 34a_100015190746_100011217306 [0,0,0,1,0,0|3,0,0]=4 10197 B12R1.8 FCCOCCC1CCOCC1 34a_100011933979_100011217306 [0,0,0,1,0,0|3,0,0]=4 10198 B12R1.8 FCCOCCC1CCOCC1 7a_100011933979_100011217306 [0,0,0,1,0,0|3,0,0]=4 10199 B12R1.8 FCCSCCC1CCCCC1 62a_100011217306_100012355289 [0,0,0,1,0,0|2,0,0]=3 10200 B12R1.8 FCCSCCC1CCCCC1 62a_100012355289_100011217306 [0,0,0,1,0,0|2,0,0]=3 10201 B12R1.8 FCCSCCC1CCOCC1 62a_100011217306_100011934994 [0,0,0,1,0,0|3,0,0]=4 10202 B12R1.8 FCCSCCC1CCOCC1 62a_100011934994_100011217306 [0,0,0,1,0,0|3,0,0]=4 10203 B12R1.8 FCCSCCC1OCCCO1 62a_100000764188_100011217306 [0,0,0,1,0,0|3,0,0]=4 10204 B12R1.8 FCCSCCC1OCCCO1 62a_100011217306_100000764188 [0,0,0,1,0,0|3,0,0]=4 10205 B12R1.8 FCCSCCN1CCCCC1 62a_100000739454_100011217306 [0,0,0,1,0,0|3,0,0]=4 10206 B12R1.8 FCCSCCN1CCCCC1 62a_100011217306_100000739454 [0,0,0,1,0,0|3,0,0]=4 10207 B12R1.8 FCCSCOC1CCCCC1 62a_100011217306_100011935260 [0,0,0,1,0,0|3,0,0]=4 10208 B12R1.8 FCCSCOC1CCCCC1 62a_100011935260_100011217306 [0,0,0,1,0,0|3,0,0]=4 10209 B12R1.8 FCNCCCC1CCCCC1 34a_100011211642_100015361967 [0,0,0,1,0,0|2,0,0]=3 10210 B12R1.8 FCNCCOC1CCCCC1 34a_100015206981_100015361967 [0,0,0,1,0,0|3,0,0]=4 10211 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [0,0,0,1,0,0|2,0,0]=3 10212 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [0,0,0,1,0,0|2,0,0]=3 10213 B12R1.8 FCOCCCC1CCCCN1 34a_100011934581_100015361967 [0,0,0,1,0,0|3,0,0]=4 10214 B12R1.8 FCOCCCC1CCCNC1 34a_100150707839_100015361967 [0,0,0,1,0,0|3,0,0]=4 10215 B12R1.8 FCOCCCC1CCNCC1 34a_100016988962_100015361967 [0,0,0,1,0,0|3,0,0]=4 10216 B12R1.8 FCOCCCN1CCCCC1 34a_100000212458_100015361967 [0,0,0,1,0,0|3,0,0]=4 10217 B12R1.8 FCOCCNC1CCCCC1 34a_100000200466_100015361967 [0,0,0,1,0,0|3,0,0]=4 10218 B12R1.8 FCOCCOC1CCCCC1 34a_100011249652_100015361967 [0,0,0,1,0,0|3,0,0]=4 10219 B12R1.8 FCOCCOC1CCCCC1 7a_100011249652_100015361967 [0,0,0,1,0,0|3,0,0]=4 10220 B12R1.8 FCOCCOC1CCCCO1 34a_100000034223_100015361967 [0,0,0,1,0,0|3,0,0]=4 10221 B12R1.8 FCOCCOC1CCCCO1 7a_100000034223_100015361967 [0,0,0,1,0,0|3,0,0]=4 10222 B12R1.8 FCSCCCC1CCCCC1 62a_100011713725_100015361967 [0,0,0,1,0,0|2,0,0]=3 10223 B12R1.8 FCSCCCC1CCCCC1 62a_100015361967_100011713725 [0,0,0,1,0,0|2,0,0]=3 10224 B12R1.8 FCSCCCN1CCCCC1 62a_100015361967_100000007876 [0,0,0,1,0,0|3,0,0]=4 10225 B12R1.8 FCSCCCN1CCCCC1 62a_100132302099_100015361967 [0,0,0,1,0,0|3,0,0]=4 10226 B12R1.8 FCSCCOC1CCCCC1 62a_100011211530_100015361967 [0,0,0,1,0,0|3,0,0]=4 10227 B12R1.8 FCSCCOC1CCCCC1 62a_100015361967_100011211530 [0,0,0,1,0,0|3,0,0]=4 10228 B12R1.8 FCSCCOC1CCCCO1 62a_100000744793_100015361967 [0,0,0,1,0,0|3,0,0]=4 10229 B12R1.8 FCSCCOC1CCCCO1 62a_100015361967_100000744793 [0,0,0,1,0,0|3,0,0]=4 10230 B12R1.8 ICCCCOC1CCCCC1 34a_200012148704_100000210327 [0,0,0,1,0,0|2,0,0]=3 10231 B12R1.8 ICCCCOC1CCCOC1 34a_200012148704_100000693364 [0,0,0,1,0,0|3,0,0]=4 10232 B12R1.8 ICCCCOC1CCSCC1 34a_200012148704_100000069128 [0,0,0,1,0,0|3,0,0]=4 10233 B12R1.8 N#CCCCNC1CCCCC1 2230a_100000182618_100000687738 [0,0,0,1,0,0|2,0,1]=4 10234 B12R1.8 N#CCCCOC1CCCCC1 7a_100000210231_100000687738 [0,0,0,1,0,0|2,0,1]=4 10235 B12R1.8 N#CCCCSC1CCCCC1 62a_100000210327_100000687738 [0,0,0,1,0,0|2,0,1]=4 10236 B12R1.8 N#CCCCSC1CCCCC1 62a_100000687738_100000210327 [0,0,0,1,0,0|2,0,1]=4 10237 B12R1.8 N#CCCNCC1CCCCC1 2230a_100000210473_100011215226 [0,0,0,1,0,0|2,0,1]=4 10238 B12R1.8 N#CCCNCC1CCCCO1 2230a_100000174945_100011215226 [0,0,0,1,0,0|2,0,1]=4 10239 B12R1.8 N#CCCOCC1CCCCC1 7a_100000212181_100000184422 [0,0,0,1,0,0|2,0,1]=4 10240 B12R1.8 N#CCCOCC1CCCCO1 7a_100000211370_100000184422 [0,0,0,1,0,0|2,0,1]=4 10241 B12R1.8 N#CCCSCC1CCCCC1 62a_100000211423_100011215226 [0,0,0,1,0,0|2,0,1]=4 10242 B12R1.8 N#CCCSCC1CCCCC1 62a_100011215226_100000211423 [0,0,0,1,0,0|2,0,1]=4 10243 B12R1.8 N#CCCSCC1CCCCO1 62a_100000211543_100011215226 [0,0,0,1,0,0|2,0,1]=4 10244 B12R1.8 N#CCCSCC1CCCCO1 62a_100011215226_100000211543 [0,0,0,1,0,0|2,0,1]=4 10245 B12R1.8 N#CCNCCC1CCCCC1 2230a_100000738074_100011215382 [0,0,0,1,0,0|2,0,1]=4 10246 B12R1.8 N#CCNCCC1CCCCO1 2230a_100015183643_100011215382 [0,0,0,1,0,0|2,0,1]=4 10247 B12R1.8 N#CCOCCC1CCCCC1 7a_100011217863_100011215382 [0,0,0,1,0,0|2,0,1]=4 10248 B12R1.8 N#CCSCCC1CCCCC1 62a_100011215382_100012355289 [0,0,0,1,0,0|2,0,1]=4 10249 B12R1.8 N#CCSCCC1CCCCC1 62a_100012355289_100011215382 [0,0,0,1,0,0|2,0,1]=4 10250 B12R1.8 NCCCCOC1CCCCC1 34a_100000750430_100000210327 [0,0,0,1,0,0|2,0,0]=3 10251 B12R1.8 NCCCCOC1CCCOC1 34a_100000750430_100000693364 [0,0,0,1,0,0|3,0,0]=4 10252 B12R1.8 NCCCCOC1CCSCC1 34a_100000750430_100000069128 [0,0,0,1,0,0|3,0,0]=4 10253 B12R1.8 NCCCOCC1CCCCC1 34a_100000182051_100000211423 [0,0,0,1,0,0|2,0,0]=3 10254 B12R1.8 NCCCOCC1CCCCO1 34a_100000182051_100000211543 [0,0,0,1,0,0|2,0,0]=3 10255 B12R1.8 NCCCOCC1CCCOC1 34a_100000182051_100000741521 [0,0,0,1,0,0|3,0,0]=4 10256 B12R1.8 NCCCOCC1CCOCC1 34a_100000182051_100000754603 [0,0,0,1,0,0|3,0,0]=4 10257 B12R1.8 NCCOCCC1CCCCC1 34a_100000210304_100011209188 [0,0,0,1,0,0|2,0,0]=3 10258 B12R1.8 NCCOCCC1CCOCC1 34a_100000210304_100011934994 [0,0,0,1,0,0|3,0,0]=4 10259 B12R1.8 NCCOCCC1OCCCO1 34a_100000210304_100000764188 [0,0,0,1,0,0|3,0,0]=4 10260 B12R1.8 NCCOCCN1CCCCC1 34a_100000210304_100000739454 [0,0,0,1,0,0|3,0,0]=4 10261 B12R1.8 NCCOCOC1CCCCC1 34a_100000210304_100011935260 [0,0,0,1,0,0|3,0,0]=4 10262 B12R1.8 NOCCOCC1CCCCC1 34a_100000700252_100000211423 [0,0,0,1,0,0|3,0,0]=4 10263 B12R1.8 NOCCOCC1CCCCO1 34a_100000700252_100000211543 [0,0,0,1,0,0|3,0,0]=4 10264 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [0,0,0,1,0,0|1,0,2]=4 10265 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,0,0,1,0,0|1,0,2]=4 10266 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [0,0,0,1,0,0|1,0,2]=4 10267 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [0,0,0,1,0,0|1,0,2]=4 10268 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [0,0,0,1,0,0|1,0,2]=4 10269 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [0,0,0,1,0,0|1,0,2]=4 10270 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [0,0,0,1,0,0|2,0,1]=4 10271 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [0,0,0,1,0,0|2,0,1]=4 10272 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [0,0,0,1,0,0|1,0,2]=4 10273 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [0,0,0,1,0,0|1,0,2]=4 10274 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [0,0,0,1,0,0|1,0,2]=4 10275 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [0,0,0,1,0,0|1,0,2]=4 10276 B12R1.8 OCC#CCNC1CCCCC1 2230a_100000182618_200000047223 [0,0,0,1,0,0|1,0,2]=4 10277 B12R1.8 OCC#CCNC1CCCCC1 34a_100000182618_200000047223 [0,0,0,1,0,0|1,0,2]=4 10278 B12R1.8 OCC#CCOC1CCCCC1 34a_100000210231_200000047223 [0,0,0,1,0,0|1,0,2]=4 10279 B12R1.8 OCC#CCOC1CCCCC1 7a_100000210231_200000047223 [0,0,0,1,0,0|1,0,2]=4 10280 B12R1.8 OCC#CCSC1CCCCC1 62a_100000210327_200000047223 [0,0,0,1,0,0|1,0,2]=4 10281 B12R1.8 OCC#CCSC1CCCCC1 62a_200000047223_100000210327 [0,0,0,1,0,0|1,0,2]=4 10282 B12R1.8 OCCCCCN1CC=CCC1 2230a_100000698166_100000746330 [0,0,0,1,0,0|1,0,2]=4 10283 B12R1.8 OCCCCCN1CC=CCC1 269982a_100000698166_100000746330 [0,0,0,1,0,0|1,0,2]=4 10284 B12R1.8 OCCCCCN1CC=CCC1 34a_100000698166_100000746330 [0,0,0,1,0,0|1,0,2]=4 10285 B12R1.8 OCCCCCN1CCCOC1 2230a_100000131196_100000746330 [0,0,0,1,0,0|2,0,0]=3 10286 B12R1.8 OCCCCCN1CCCOC1 269982a_100000131196_100000746330 [0,0,0,1,0,0|2,0,0]=3 10287 B12R1.8 OCCCCCN1CCCOC1 34a_100000131196_100000746330 [0,0,0,1,0,0|2,0,0]=3 10288 B12R1.8 OCCCCCN1CCOCC1 2230a_100015191051_100000746330 [0,0,0,1,0,0|2,0,0]=3 10289 B12R1.8 OCCCCCN1CCOCC1 269982a_100015191051_100000746330 [0,0,0,1,0,0|2,0,0]=3 10290 B12R1.8 OCCCCCN1CCOCC1 34a_100015191051_100000746330 [0,0,0,1,0,0|2,0,0]=3 10291 B12R1.8 OCCCCCN1CCSCC1 2230a_100000737611_100000746330 [0,0,0,1,0,0|2,0,0]=3 10292 B12R1.8 OCCCCCN1CCSCC1 269982a_100000737611_100000746330 [0,0,0,1,0,0|2,0,0]=3 10293 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [0,0,0,1,0,0|1,0,2]=4 10294 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [0,0,0,1,0,0|1,0,0]=2 10295 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [0,0,0,1,0,0|1,0,0]=2 10296 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [0,0,0,1,0,0|1,0,0]=2 10297 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [0,0,0,1,0,0|1,0,0]=2 10298 B12R1.8 OCCCCNC1CCCOC1 2230a_100000719290_100000210776 [0,0,0,1,0,0|2,0,0]=3 10299 B12R1.8 OCCCCNC1CCCOC1 270004a_100000750430_100000753404 [0,0,0,1,0,0|2,0,0]=3 10300 B12R1.8 OCCCCNC1CCCOC1 34a_100000719290_100011216708 [0,0,0,1,0,0|2,0,0]=3 10301 B12R1.8 OCCCCNC1CCCOC1 34a_100000750430_100000693364 [0,0,0,1,0,0|2,0,0]=3 10302 B12R1.8 OCCCCNC1CCCSC1 270004a_100000750430_100000057913 [0,0,0,1,0,0|2,0,0]=3 10303 B12R1.8 OCCCCNC1CCNCC1 270004a_100000750430_100015192401 [0,0,0,1,0,0|2,0,0]=3 10304 B12R1.8 OCCCCNC1CCOCC1 2230a_100000741149_100000210776 [0,0,0,1,0,0|2,0,0]=3 10305 B12R1.8 OCCCCNC1CCOCC1 270004a_100000750430_100011217826 [0,0,0,1,0,0|2,0,0]=3 10306 B12R1.8 OCCCCNC1CCOCC1 34a_100000741149_100011216708 [0,0,0,1,0,0|2,0,0]=3 10307 B12R1.8 OCCCCNC1CCSCC1 2230a_100000748639_100000210776 [0,0,0,1,0,0|2,0,0]=3 10308 B12R1.8 OCCCCNC1CCSCC1 270004a_100000750430_100000203788 [0,0,0,1,0,0|2,0,0]=3 10309 B12R1.8 OCCCCNC1CCSCC1 34a_100000748639_100011216708 [0,0,0,1,0,0|2,0,0]=3 10310 B12R1.8 OCCCCNC1CCSCC1 34a_100000750430_100000069128 [0,0,0,1,0,0|2,0,0]=3 10311 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [0,0,0,1,0,0|1,0,2]=4 10312 B12R1.8 OCCCCOC1CC=CCC1 34a_100000073881_100011216708 [0,0,0,1,0,0|1,0,2]=4 10313 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [0,0,0,1,0,0|1,0,0]=2 10314 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [0,0,0,1,0,0|1,0,0]=2 10315 B12R1.8 OCCCCOC1CCCCO1 34a_100000033831_100011216708 [0,0,0,1,0,0|2,0,0]=3 10316 B12R1.8 OCCCCOC1CCCOC1 34a_100000754041_100011216708 [0,0,0,1,0,0|2,0,0]=3 10317 B12R1.8 OCCCCOC1CCCSC1 7a_100015962668_100000210776 [0,0,0,1,0,0|2,0,0]=3 10318 B12R1.8 OCCCCOC1CCOCC1 34a_100000744328_100011216708 [0,0,0,1,0,0|2,0,0]=3 10319 B12R1.8 OCCCCOC1CCSCC1 34a_100000731022_100011216708 [0,0,0,1,0,0|2,0,0]=3 10320 B12R1.8 OCCCCOC1CCSCC1 7a_100000731022_100000210776 [0,0,0,1,0,0|2,0,0]=3 10321 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [0,0,0,1,0,0|1,0,2]=4 10322 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [0,0,0,1,0,0|1,0,2]=4 10323 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [0,0,0,1,0,0|1,0,0]=2 10324 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [0,0,0,1,0,0|1,0,0]=2 10325 B12R1.8 OCCCCSC1CCCOC1 62a_100000210776_100000693364 [0,0,0,1,0,0|2,0,0]=3 10326 B12R1.8 OCCCCSC1CCOCC1 62a_100000210776_100011324220 [0,0,0,1,0,0|2,0,0]=3 10327 B12R1.8 OCCCCSC1CCSCC1 62a_100000210776_100000069128 [0,0,0,1,0,0|2,0,0]=3 10328 B12R1.8 OCCCNCC1CC=CCC1 270004a_100000182051_100000189434 [0,0,0,1,0,0|1,0,2]=4 10329 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [0,0,0,1,0,0|1,0,0]=2 10330 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [0,0,0,1,0,0|1,0,0]=2 10331 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [0,0,0,1,0,0|1,0,0]=2 10332 B12R1.8 OCCCNCC1CCCCO1 2230a_100000174945_100000230001 [0,0,0,1,0,0|2,0,0]=3 10333 B12R1.8 OCCCNCC1CCCCO1 34a_100000174945_100000230001 [0,0,0,1,0,0|2,0,0]=3 10334 B12R1.8 OCCCNCC1CCCOC1 2230a_100000720124_100000230001 [0,0,0,1,0,0|2,0,0]=3 10335 B12R1.8 OCCCNCC1CCCOC1 34a_100000720124_100000230001 [0,0,0,1,0,0|2,0,0]=3 10336 B12R1.8 OCCCNCC1CCOCC1 2230a_100000746373_100000230001 [0,0,0,1,0,0|2,0,0]=3 10337 B12R1.8 OCCCNCC1CCOCC1 269862a_100000182051_100000749017 [0,0,0,1,0,0|2,0,0]=3 10338 B12R1.8 OCCCNCC1CCOCC1 34a_100000746373_100000230001 [0,0,0,1,0,0|2,0,0]=3 10339 B12R1.8 OCCCNCC1CCSCC1 2230a_100015188806_100000230001 [0,0,0,1,0,0|2,0,0]=3 10340 B12R1.8 OCCCNCC1CCSCC1 269862a_100000182051_100000067145 [0,0,0,1,0,0|2,0,0]=3 10341 B12R1.8 OCCCNCC1CCSCC1 270004a_100000182051_100000067145 [0,0,0,1,0,0|2,0,0]=3 10342 B12R1.8 OCCCNCC1CCSCC1 34a_100015188806_100000230001 [0,0,0,1,0,0|2,0,0]=3 10343 B12R1.8 OCCCNC[C@H]1COCCO1 2230a_100010981119_100000230001 [0,0,0,1,0,0|3,0,0]=4 10344 B12R1.8 OCCCNC[C@H]1COCCO1 34a_100010981119_100000230001 [0,0,0,1,0,0|3,0,0]=4 10345 B12R1.8 OCCCOCC1CC=CCC1 34a_100000210713_100000230001 [0,0,0,1,0,0|1,0,2]=4 10346 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [0,0,0,1,0,0|1,0,0]=2 10347 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [0,0,0,1,0,0|1,0,0]=2 10348 B12R1.8 OCCCOCC1CCCCN1 34a_100000210821_100000230001 [0,0,0,1,0,0|2,0,0]=3 10349 B12R1.8 OCCCOCC1CCCCO1 34a_100000211370_100000230001 [0,0,0,1,0,0|2,0,0]=3 10350 B12R1.8 OCCCOCC1CCCCO1 7a_100000211370_100011215043 [0,0,0,1,0,0|2,0,0]=3 10351 B12R1.8 OCCCOCC1CCCNC1 34a_100000211344_100000230001 [0,0,0,1,0,0|2,0,0]=3 10352 B12R1.8 OCCCOCC1CCCOC1 34a_100000741520_100000230001 [0,0,0,1,0,0|2,0,0]=3 10353 B12R1.8 OCCCOCC1CCNCC1 34a_100000738675_100000230001 [0,0,0,1,0,0|2,0,0]=3 10354 B12R1.8 OCCCOCC1CCOCC1 34a_100000749013_100000230001 [0,0,0,1,0,0|2,0,0]=3 10355 B12R1.8 OCCCOCC1CCSCC1 34a_100000070558_100000230001 [0,0,0,1,0,0|2,0,0]=3 10356 B12R1.8 OCCCOCC1CCSCC1 7a_100000070558_100011215043 [0,0,0,1,0,0|2,0,0]=3 10357 B12R1.8 OCCCOC[C@@H]1CNCCO1 34a_100015189573_100000230001 [0,0,0,1,0,0|3,0,0]=4 10358 B12R1.8 OCCCOC[C@@H]1COCCN1 34a_100000717676_100000230001 [0,0,0,1,0,0|3,0,0]=4 10359 B12R1.8 OCCCOC[C@H]1COCCO1 34a_100009875890_100000230001 [0,0,0,1,0,0|3,0,0]=4 10360 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [0,0,0,1,0,0|1,0,0]=2 10361 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [0,0,0,1,0,0|1,0,0]=2 10362 B12R1.8 OCCCSCC1CCCCO1 62a_100000211543_100011215043 [0,0,0,1,0,0|2,0,0]=3 10363 B12R1.8 OCCCSCC1CCCCO1 62a_100011215043_100000211543 [0,0,0,1,0,0|2,0,0]=3 10364 B12R1.8 OCCCSCC1CCCOC1 62a_100000741521_100011215043 [0,0,0,1,0,0|2,0,0]=3 10365 B12R1.8 OCCCSCC1CCCOC1 62a_100011215043_100000741521 [0,0,0,1,0,0|2,0,0]=3 10366 B12R1.8 OCCCSCC1CCOCC1 62a_100000754603_100011215043 [0,0,0,1,0,0|2,0,0]=3 10367 B12R1.8 OCCCSCC1CCOCC1 62a_100011215043_100000749018 [0,0,0,1,0,0|2,0,0]=3 10368 B12R1.8 OCCNCCC1=CCCCC1 2230a_100000212019_100000211926 [0,0,0,1,0,0|1,0,2]=4 10369 B12R1.8 OCCNCCC1=CCCCC1 34a_100000212019_100000211926 [0,0,0,1,0,0|1,0,2]=4 10370 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [0,0,0,1,0,0|1,0,0]=2 10371 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [0,0,0,1,0,0|1,0,0]=2 10372 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [0,0,0,1,0,0|1,0,0]=2 10373 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [0,0,0,1,0,0|1,0,0]=2 10374 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [0,0,0,1,0,0|1,0,0]=2 10375 B12R1.8 OCCNCCC1CCCCO1 2230a_100015183643_100000211926 [0,0,0,1,0,0|2,0,0]=3 10376 B12R1.8 OCCNCCC1CCCCO1 34a_100015183643_100000211926 [0,0,0,1,0,0|2,0,0]=3 10377 B12R1.8 OCCNCCC1CCOCC1 2230a_100000755988_100000211926 [0,0,0,1,0,0|2,0,0]=3 10378 B12R1.8 OCCNCCC1CCOCC1 2230a_100016997473_100011934994 [0,0,0,1,0,0|2,0,0]=3 10379 B12R1.8 OCCNCCC1CCOCC1 34a_100000755988_100000211926 [0,0,0,1,0,0|2,0,0]=3 10380 B12R1.8 OCCNCCC1CCOCC1 34a_100016990907_100011934994 [0,0,0,1,0,0|2,0,0]=3 10381 B12R1.8 OCCNCCC1OCCCO1 2230a_100016997473_100000764188 [0,0,0,1,0,0|3,0,0]=4 10382 B12R1.8 OCCNCCC1OCCCO1 34a_100016990907_100000764188 [0,0,0,1,0,0|3,0,0]=4 10383 B12R1.8 OCCNCCN1CCCCC1 2230a_100016997473_100000739454 [0,0,0,1,0,0|2,0,0]=3 10384 B12R1.8 OCCNCCN1CCCCC1 34a_100016990907_100000739454 [0,0,0,1,0,0|2,0,0]=3 10385 B12R1.8 OCCNCCN1CCOCC1 2230a_100016997473_100025781966 [0,0,0,1,0,0|3,0,0]=4 10386 B12R1.8 OCCNCCN1CCSCC1 2230a_100000755026_100000211926 [0,0,0,1,0,0|3,0,0]=4 10387 B12R1.8 OCCNCOC1CCCCC1 2230a_100016997473_100011935260 [0,0,0,1,0,0|2,0,0]=3 10388 B12R1.8 OCCNCOC1CCCCC1 34a_100016990907_100011935260 [0,0,0,1,0,0|2,0,0]=3 10389 B12R1.8 OCCNN=CC1CCCCC1 4a_100000210001_100000211278 [0,0,0,1,0,0|2,0,1]=4 10390 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [0,0,0,1,0,0|1,0,0]=2 10391 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [0,0,0,1,0,0|1,0,0]=2 10392 B12R1.8 OCCOCCC1CCCCN1 34a_100000211664_100000211926 [0,0,0,1,0,0|2,0,0]=3 10393 B12R1.8 OCCOCCC1CCCNC1 34a_100000752241_100000211926 [0,0,0,1,0,0|2,0,0]=3 10394 B12R1.8 OCCOCCC1CCNCC1 34a_100015190746_100000211926 [0,0,0,1,0,0|2,0,0]=3 10395 B12R1.8 OCCOCCC1CCOCC1 34a_100011933979_100000211926 [0,0,0,1,0,0|2,0,0]=3 10396 B12R1.8 OCCOCCC1CCOCC1 7a_100011933979_100000211926 [0,0,0,1,0,0|2,0,0]=3 10397 B12R1.8 OCCOCCC1SCCCS1 34a_200011025297_100000211926 [0,0,0,1,0,0|3,0,0]=4 10398 B12R1.8 OCCOCCC1SCCCS1 7a_200011025297_100000211926 [0,0,0,1,0,0|3,0,0]=4 10399 B12R1.8 OCCOCCN1CCCOC1 2230a_100000131196_100011215305 [0,0,0,1,0,0|3,0,0]=4 10400 B12R1.8 OCCOCCN1CCCOC1 269982a_100000131196_100011215305 [0,0,0,1,0,0|3,0,0]=4 10401 B12R1.8 OCCOCCN1CCCOC1 34a_100000131196_100000692535 [0,0,0,1,0,0|3,0,0]=4 10402 B12R1.8 OCCOCCN1CCOCC1 2230a_100015191051_100011215305 [0,0,0,1,0,0|3,0,0]=4 10403 B12R1.8 OCCOCCN1CCOCC1 269982a_100015191051_100011215305 [0,0,0,1,0,0|3,0,0]=4 10404 B12R1.8 OCCOCCN1CCOCC1 34a_100015191051_100000692535 [0,0,0,1,0,0|3,0,0]=4 10405 B12R1.8 OCCOCCN1CCSCC1 2230a_100000737611_100011215305 [0,0,0,1,0,0|3,0,0]=4 10406 B12R1.8 OCCOCCN1CCSCC1 269982a_100000737611_100011215305 [0,0,0,1,0,0|3,0,0]=4 10407 B12R1.8 OCCOCCN1CCSCC1 7a_100000686052_100000211926 [0,0,0,1,0,0|3,0,0]=4 10408 B12R1.8 OCCOCC[C@@H]1CNCCN1 34a_100016989929_100000211926 [0,0,0,1,0,0|3,0,0]=4 10409 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [0,0,0,1,0,0|1,0,0]=2 10410 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [0,0,0,1,0,0|1,0,0]=2 10411 B12R1.8 OCCSCCC1CCOCC1 62a_100000211926_100011934994 [0,0,0,1,0,0|2,0,0]=3 10412 B12R1.8 OCCSCCC1CCOCC1 62a_100011934994_100000211926 [0,0,0,1,0,0|2,0,0]=3 10413 B12R1.8 OCCSCCC1OCCCO1 62a_100000211926_100000764188 [0,0,0,1,0,0|3,0,0]=4 10414 B12R1.8 OCCSCCC1OCCCO1 62a_100000764188_100000211926 [0,0,0,1,0,0|3,0,0]=4 10415 B12R1.8 OCCSCCN1CCCCC1 62a_100000211926_100000739454 [0,0,0,1,0,0|2,0,0]=3 10416 B12R1.8 OCCSCCN1CCCCC1 62a_100000739454_100000211926 [0,0,0,1,0,0|2,0,0]=3 10417 B12R1.8 OCCSCCN1CCOCC1 62a_100000211926_100000211760 [0,0,0,1,0,0|3,0,0]=4 10418 B12R1.8 OCCSCOC1CCCCC1 62a_100000211926_100011935260 [0,0,0,1,0,0|2,0,0]=3 10419 B12R1.8 OCCSCOC1CCCCC1 62a_100011935260_100000211926 [0,0,0,1,0,0|2,0,0]=3 10420 B12R1.8 [13CH3]NCCCOC1CCCCC1 34a_100000205933_200025704644 [0,0,0,1,0,0|3,0,0]=4 10421 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [0,0,0,1,0,0|2,0,0]=3 10422 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [0,0,0,1,0,0|2,0,0]=3 10423 B12R1.8 [13CH3]OCCCCC1CCNCC1 34a_100016989291_200025704644 [0,0,0,1,0,0|3,0,0]=4 10424 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_100000700653_200025704644 [0,0,0,1,0,0|2,0,0]=3 10425 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_200025704644_100000700653 [0,0,0,1,0,0|2,0,0]=3 10426 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,0,0,1,0,0|1,0,2]=4 10427 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,0,0,1,0,0|1,0,2]=4 10428 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,0,0,1,0,0|2,0,1]=4 10429 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,0,0,1,0,0|2,0,1]=4 10430 B12R1.37 BrCCCCCOC1CCCC1 34a_100000746331_100000179811 [0,0,0,1,0,0|2,0,0]=3 10431 B12R1.37 BrCCCCCOC1CCCC1 7a_100000746331_100000179811 [0,0,0,1,0,0|2,0,0]=3 10432 B12R1.37 BrCCCCCOC1CCOC1 34a_100000746331_100000690089 [0,0,0,1,0,0|3,0,0]=4 10433 B12R1.37 BrCCCCCOC1CCOC1 7a_100000746331_100000731011 [0,0,0,1,0,0|3,0,0]=4 10434 B12R1.37 BrCCCCOCC1CCCC1 34a_100011216708_100000740388 [0,0,0,1,0,0|2,0,0]=3 10435 B12R1.37 BrCCCCOCC1CCOC1 34a_100011216708_100011261433 [0,0,0,1,0,0|3,0,0]=4 10436 B12R1.37 BrCCCCOCC1OCCO1 34a_100011216708_100000755774 [0,0,0,1,0,0|3,0,0]=4 10437 B12R1.37 BrCCCOCCC1CCCC1 34a_100011217188_100000760354 [0,0,0,1,0,0|2,0,0]=3 10438 B12R1.37 BrCCCOCCC1OCCO1 34a_100011217188_100000740749 [0,0,0,1,0,0|3,0,0]=4 10439 B12R1.37 BrCCOCCCC1CCCC1 34a_100000211926_100011713738 [0,0,0,1,0,0|2,0,0]=3 10440 B12R1.37 BrCCOCCCC1OCCO1 34a_100000211926_100009861162 [0,0,0,1,0,0|3,0,0]=4 10441 B12R1.37 BrCCOCCCN1CCCC1 34a_100000211926_100016991639 [0,0,0,1,0,0|3,0,0]=4 10442 B12R1.37 BrCCOCCOC1CCCC1 34a_100000692535_100000179811 [0,0,0,1,0,0|3,0,0]=4 10443 B12R1.37 BrCCOCCOC1CCCC1 7a_100000692535_100000179811 [0,0,0,1,0,0|3,0,0]=4 10444 B12R1.37 C#CCCCCCN1CCCC1 2230a_100000188435_100012094781 [0,0,0,1,0,0|2,0,1]=4 10445 B12R1.37 C#CCCCCCN1CCCC1 269982a_100000188435_100012094781 [0,0,0,1,0,0|2,0,1]=4 10446 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000211070_100010269958 [0,0,0,1,0,0|2,0,1]=4 10447 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000706060_100000179811 [0,0,0,1,0,0|2,0,1]=4 10448 B12R1.37 C#CCCCCNC1CCCC1 34a_100000211070_100010269958 [0,0,0,1,0,0|2,0,1]=4 10449 B12R1.37 C#CCCCCNC1CCCC1 34a_100000706060_100000179811 [0,0,0,1,0,0|2,0,1]=4 10450 B12R1.37 C#CCCCCOC1CCCC1 34a_100000210269_100010269958 [0,0,0,1,0,0|2,0,1]=4 10451 B12R1.37 C#CCCCCOC1CCCC1 34a_100000766709_100000179811 [0,0,0,1,0,0|2,0,1]=4 10452 B12R1.37 C#CCCCCOC1CCCC1 7a_100000210269_100010269958 [0,0,0,1,0,0|2,0,1]=4 10453 B12R1.37 C#CCCCCOC1CCCC1 7a_100000766709_100000179811 [0,0,0,1,0,0|2,0,1]=4 10454 B12R1.37 C#CCCCCOC1CCCO1 34a_100000085407_100010269958 [0,0,0,1,0,0|1,0,2]=4 10455 B12R1.37 C#CCCCCSC1CCCC1 62a_100010269958_100000179811 [0,0,0,1,0,0|2,0,1]=4 10456 B12R1.37 C#CCCCCSC1CCCC1 62a_100011217020_100010269958 [0,0,0,1,0,0|2,0,1]=4 10457 B12R1.37 C#CCCCNCC1CCCC1 2230a_100000737975_100000731252 [0,0,0,1,0,0|2,0,1]=4 10458 B12R1.37 C#CCCCNCC1CCCC1 34a_100000718082_100000740388 [0,0,0,1,0,0|2,0,1]=4 10459 B12R1.37 C#CCCCNCC1CCCC1 34a_100000737975_100000695029 [0,0,0,1,0,0|2,0,1]=4 10460 B12R1.37 C#CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000731252 [0,0,0,1,0,0|1,0,2]=4 10461 B12R1.37 C#CCCCNC[C@@H]1CCCO1 34a_100020590478_100000695029 [0,0,0,1,0,0|1,0,2]=4 10462 B12R1.37 C#CCCCOCC1CCCC1 34a_100000215630_100000740388 [0,0,0,1,0,0|2,0,1]=4 10463 B12R1.37 C#CCCCOCC1CCCC1 34a_100000742336_100000695029 [0,0,0,1,0,0|2,0,1]=4 10464 B12R1.37 C#CCCCOCC1CCCC1 7a_100000215630_100000740388 [0,0,0,1,0,0|2,0,1]=4 10465 B12R1.37 C#CCCCOCC1CCCC1 7a_100000742336_100011215417 [0,0,0,1,0,0|2,0,1]=4 10466 B12R1.37 C#CCCCOCC1CCCO1 34a_100000210270_100000695029 [0,0,0,1,0,0|1,0,2]=4 10467 B12R1.37 C#CCCCOCC1CCCO1 7a_100000210270_100011215417 [0,0,0,1,0,0|1,0,2]=4 10468 B12R1.37 C#CCCCOCC1CCCO1 7a_100000215630_100000203698 [0,0,0,1,0,0|1,0,2]=4 10469 B12R1.37 C#CCCCSCC1CCCC1 62a_100000740388_100011215417 [0,0,0,1,0,0|2,0,1]=4 10470 B12R1.37 C#CCCCSCC1CCCC1 62a_100011215417_100000740388 [0,0,0,1,0,0|2,0,1]=4 10471 B12R1.37 C#CCCCSCC1CCCO1 62a_100000203698_100011215417 [0,0,0,1,0,0|1,0,2]=4 10472 B12R1.37 C#CCCCSCC1CCCO1 62a_100011215417_100000203698 [0,0,0,1,0,0|1,0,2]=4 10473 B12R1.37 C#CCCNCCC1CCCC1 2230a_100000739158_100000688953 [0,0,0,1,0,0|2,0,1]=4 10474 B12R1.37 C#CCCNCCC1CCCC1 34a_100000739158_100000688953 [0,0,0,1,0,0|2,0,1]=4 10475 B12R1.37 C#CCCNCCC1CCCC1 34a_100000755551_100000760354 [0,0,0,1,0,0|2,0,1]=4 10476 B12R1.37 C#CCCOCCC1CCCC1 34a_100000749090_100000688953 [0,0,0,1,0,0|2,0,1]=4 10477 B12R1.37 C#CCCOCCC1CCCC1 34a_100011215631_100000760354 [0,0,0,1,0,0|2,0,1]=4 10478 B12R1.37 C#CCCOCCC1CCCC1 7a_100000749090_100000688953 [0,0,0,1,0,0|2,0,1]=4 10479 B12R1.37 C#CCCSCCC1CCCC1 62a_100000688953_100000760354 [0,0,0,1,0,0|2,0,1]=4 10480 B12R1.37 C#CCCSCCC1CCCC1 62a_100000760354_100000688953 [0,0,0,1,0,0|2,0,1]=4 10481 B12R1.37 C#CCNCCCC1CCCC1 2230a_100000736752_100000038162 [0,0,0,1,0,0|2,0,1]=4 10482 B12R1.37 C#CCNCCCC1CCCC1 34a_100000212058_100011713738 [0,0,0,1,0,0|2,0,1]=4 10483 B12R1.37 C#CCNCCCC1CCCC1 34a_100000736752_100000184674 [0,0,0,1,0,0|2,0,1]=4 10484 B12R1.37 C#CCOCCCC1CCCC1 34a_100000210247_100011713738 [0,0,0,1,0,0|2,0,1]=4 10485 B12R1.37 C#CCOCCCC1CCCC1 34a_100011215328_100000184674 [0,0,0,1,0,0|2,0,1]=4 10486 B12R1.37 C#CCOCCCC1CCCC1 7a_100011215328_100000038162 [0,0,0,1,0,0|2,0,1]=4 10487 B12R1.37 C#CCSCCCC1CCCC1 62a_100000038162_100011713738 [0,0,0,1,0,0|2,0,1]=4 10488 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [0,0,0,1,0,0|2,0,1]=4 10489 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [0,0,0,1,0,0|2,0,1]=4 10490 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [0,0,0,1,0,0|2,0,1]=4 10491 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [0,0,0,1,0,0|2,0,1]=4 10492 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [0,0,0,1,0,0|2,0,1]=4 10493 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [0,0,0,1,0,0|2,0,1]=4 10494 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [0,0,0,1,0,0|2,0,1]=4 10495 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [0,0,0,1,0,0|2,0,1]=4 10496 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [0,0,0,1,0,0|2,0,1]=4 10497 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [0,0,0,1,0,0|2,0,1]=4 10498 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [0,0,0,1,0,0|2,0,1]=4 10499 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [0,0,0,1,0,0|1,0,2]=4 10500 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [0,0,0,1,0,0|2,0,1]=4 10501 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [0,0,0,1,0,0|2,0,1]=4 10502 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [0,0,0,1,0,0|2,0,1]=4 10503 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [0,0,0,1,0,0|2,0,1]=4 10504 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [0,0,0,1,0,0|2,0,1]=4 10505 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [0,0,0,1,0,0|2,0,1]=4 10506 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [0,0,0,1,0,0|2,0,1]=4 10507 B12R1.37 C=CCCCNCC1CCCO1 2230a_100000700776_100000203698 [0,0,0,1,0,0|1,0,2]=4 10508 B12R1.37 C=CCCCNC[C@@H]1CCCO1 2230a_100020590478_100011713584 [0,0,0,1,0,0|1,0,2]=4 10509 B12R1.37 C=CCCCNC[C@@H]1CCCO1 34a_100020590478_100000757094 [0,0,0,1,0,0|1,0,2]=4 10510 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [0,0,0,1,0,0|2,0,1]=4 10511 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [0,0,0,1,0,0|2,0,1]=4 10512 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [0,0,0,1,0,0|2,0,1]=4 10513 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [0,0,0,1,0,0|2,0,1]=4 10514 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [0,0,0,1,0,0|1,0,2]=4 10515 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [0,0,0,1,0,0|1,0,2]=4 10516 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [0,0,0,1,0,0|1,0,2]=4 10517 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [0,0,0,1,0,0|2,0,1]=4 10518 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [0,0,0,1,0,0|2,0,1]=4 10519 B12R1.37 C=CCCCSCC1CCCO1 62a_100000203698_100000757094 [0,0,0,1,0,0|1,0,2]=4 10520 B12R1.37 C=CCCCSCC1CCCO1 62a_100011713584_100000203698 [0,0,0,1,0,0|1,0,2]=4 10521 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [0,0,0,1,0,0|2,0,1]=4 10522 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [0,0,0,1,0,0|2,0,1]=4 10523 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [0,0,0,1,0,0|2,0,1]=4 10524 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [0,0,0,1,0,0|2,0,1]=4 10525 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [0,0,0,1,0,0|2,0,1]=4 10526 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [0,0,0,1,0,0|2,0,1]=4 10527 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [0,0,0,1,0,0|2,0,1]=4 10528 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [0,0,0,1,0,0|2,0,1]=4 10529 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [0,0,0,1,0,0|2,0,1]=4 10530 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [0,0,0,1,0,0|2,0,1]=4 10531 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [0,0,0,1,0,0|2,0,1]=4 10532 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [0,0,0,1,0,0|2,0,1]=4 10533 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [0,0,0,1,0,0|2,0,1]=4 10534 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [0,0,0,1,0,0|2,0,1]=4 10535 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [0,0,0,1,0,0|2,0,1]=4 10536 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [0,0,0,1,0,0|2,0,1]=4 10537 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [0,0,0,1,0,0|1,0,2]=4 10538 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 2230a_100020590478_100103147603 [0,0,0,1,0,0|1,0,2]=4 10539 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 34a_100020590478_100103147603 [0,0,0,1,0,0|1,0,2]=4 10540 B12R1.37 CC/C=C\COCC1CCCO1 34a_100000210270_100103147603 [0,0,0,1,0,0|1,0,2]=4 10541 B12R1.37 CC/C=C\COCC1CCCO1 7a_100000210270_100103147603 [0,0,0,1,0,0|1,0,2]=4 10542 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100000203698_100103147603 [0,0,0,1,0,0|1,0,2]=4 10543 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100103147603_100000203698 [0,0,0,1,0,0|1,0,2]=4 10544 B12R1.37 CCC#CCNC[C@@H]1CCCO1 2230a_100020590478_100009813939 [0,0,0,1,0,0|1,0,2]=4 10545 B12R1.37 CCC#CCNC[C@@H]1CCCO1 34a_100020590478_100009813939 [0,0,0,1,0,0|1,0,2]=4 10546 B12R1.37 CCC#CCOCC1CCCO1 34a_100000210270_100009813939 [0,0,0,1,0,0|1,0,2]=4 10547 B12R1.37 CCC#CCOCC1CCCO1 7a_100000210270_100009813939 [0,0,0,1,0,0|1,0,2]=4 10548 B12R1.37 CCC#CCSCC1CCCO1 62a_100000203698_100009813939 [0,0,0,1,0,0|1,0,2]=4 10549 B12R1.37 CCC#CCSCC1CCCO1 62a_100009813939_100000203698 [0,0,0,1,0,0|1,0,2]=4 10550 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,0,0,1,0,0|2,0,0]=3 10551 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,0,0,1,0,0|2,0,0]=3 10552 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [0,0,0,1,0,0|3,0,0]=4 10553 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [0,0,0,1,0,0|3,0,0]=4 10554 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [0,0,0,1,0,0|2,0,0]=3 10555 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [0,0,0,1,0,0|2,0,0]=3 10556 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [0,0,0,1,0,0|2,0,0]=3 10557 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [0,0,0,1,0,0|2,0,0]=3 10558 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [0,0,0,1,0,0|3,0,0]=4 10559 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [0,0,0,1,0,0|3,0,0]=4 10560 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [0,0,0,1,0,0|3,0,0]=4 10561 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [0,0,0,1,0,0|3,0,0]=4 10562 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [0,0,0,1,0,0|3,0,0]=4 10563 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [0,0,0,1,0,0|3,0,0]=4 10564 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,0,0,1,0,0|2,0,0]=3 10565 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,0,0,1,0,0|2,0,0]=3 10566 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,0,0,1,0,0|2,0,0]=3 10567 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,0,0,1,0,0|2,0,0]=3 10568 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,0,0,1,0,0|1,0,0]=2 10569 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [0,0,0,1,0,0|3,0,0]=4 10570 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [0,0,0,1,0,0|3,0,0]=4 10571 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [0,0,0,1,0,0|3,0,0]=4 10572 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [0,0,0,1,0,0|3,0,0]=4 10573 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [0,0,0,1,0,0|2,0,0]=3 10574 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [0,0,0,1,0,0|2,0,0]=3 10575 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [0,0,0,1,0,0|3,0,0]=4 10576 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [0,0,0,1,0,0|2,0,0]=3 10577 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [0,0,0,1,0,0|2,0,0]=3 10578 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [0,0,0,1,0,0|2,0,0]=3 10579 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [0,0,0,1,0,0|2,0,0]=3 10580 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,0,0,1,0,0|1,0,0]=2 10581 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [0,0,0,1,0,0|3,0,0]=4 10582 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [0,0,0,1,0,0|3,0,0]=4 10583 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [0,0,0,1,0,0|3,0,0]=4 10584 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [0,0,0,1,0,0|2,0,0]=3 10585 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [0,0,0,1,0,0|2,0,0]=3 10586 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [0,0,0,1,0,0|2,0,0]=3 10587 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,0,0,1,0,0|1,0,0]=2 10588 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,0,0,1,0,0|1,0,0]=2 10589 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [0,0,0,1,0,0|2,0,0]=3 10590 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [0,0,0,1,0,0|2,0,0]=3 10591 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [0,0,0,1,0,0|2,0,0]=3 10592 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [0,0,0,1,0,0|2,0,0]=3 10593 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,0,0,1,0,0|1,0,0]=2 10594 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,0,0,1,0,0|1,0,0]=2 10595 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,0,0,1,0,0|1,0,0]=2 10596 B12R1.37 CCCCCOCC1CCNC1 34a_100000748654_100000718602 [0,0,0,1,0,0|3,0,0]=4 10597 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [0,0,0,1,0,0|3,0,0]=4 10598 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [0,0,0,1,0,0|3,0,0]=4 10599 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [0,0,0,1,0,0|3,0,0]=4 10600 B12R1.37 CCCCCOCC1COCO1 34a_100011216627_100000718602 [0,0,0,1,0,0|2,0,0]=3 10601 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [0,0,0,1,0,0|2,0,0]=3 10602 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [0,0,0,1,0,0|2,0,0]=3 10603 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [0,0,0,1,0,0|2,0,0]=3 10604 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [0,0,0,1,0,0|2,0,0]=3 10605 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [0,0,0,1,0,0|2,0,0]=3 10606 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [0,0,0,1,0,0|2,0,0]=3 10607 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,0,0,1,0,0|1,0,0]=2 10608 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,0,0,1,0,0|1,0,0]=2 10609 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [0,0,0,1,0,0|3,0,0]=4 10610 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [0,0,0,1,0,0|3,0,0]=4 10611 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [0,0,0,1,0,0|2,0,0]=3 10612 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [0,0,0,1,0,0|2,0,0]=3 10613 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [0,0,0,1,0,0|2,0,0]=3 10614 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [0,0,0,1,0,0|2,0,0]=3 10615 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [0,0,0,1,0,0|2,0,0]=3 10616 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [0,0,0,1,0,0|2,0,0]=3 10617 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [0,0,0,1,0,0|2,0,0]=3 10618 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [0,0,0,1,0,0|2,0,0]=3 10619 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [0,0,0,1,0,0|2,0,0]=3 10620 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [0,0,0,1,0,0|2,0,0]=3 10621 B12R1.37 CCCCNCCN1CCCC1 7a_106832991798_100000004467 [0,0,0,1,0,0|3,0,0]=4 10622 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [0,0,0,1,0,0|2,0,0]=3 10623 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [0,0,0,1,0,0|2,0,0]=3 10624 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [0,0,0,1,0,0|2,0,0]=3 10625 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [0,0,0,1,0,0|2,0,0]=3 10626 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [0,0,0,1,0,0|3,0,0]=4 10627 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [0,0,0,1,0,0|3,0,0]=4 10628 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [0,0,0,1,0,0|2,0,0]=3 10629 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [0,0,0,1,0,0|2,0,0]=3 10630 B12R1.37 CCCCOCCN1CCCC1 2230a_100000188435_100000743108 [0,0,0,1,0,0|3,0,0]=4 10631 B12R1.37 CCCCOCCN1CCCC1 269982a_100000188435_100000743108 [0,0,0,1,0,0|3,0,0]=4 10632 B12R1.37 CCCCOCCN1CCCC1 7a_100000210227_100000004467 [0,0,0,1,0,0|3,0,0]=4 10633 B12R1.37 CCCCOCNC1CCCC1 2230a_100000211070_100011995733 [0,0,0,1,0,0|3,0,0]=4 10634 B12R1.37 CCCCOCNC1CCCC1 34a_100000211070_100011995733 [0,0,0,1,0,0|3,0,0]=4 10635 B12R1.37 CCCCOCOC1CCCC1 34a_100000210269_100011995733 [0,0,0,1,0,0|3,0,0]=4 10636 B12R1.37 CCCCOCOC1CCCO1 34a_100000085407_100011995733 [0,0,0,1,0,0|2,0,0]=3 10637 B12R1.37 CCCCOCSC1CCCC1 62a_100011217020_100011995733 [0,0,0,1,0,0|3,0,0]=4 10638 B12R1.37 CCCCOCSC1CCCC1 62a_100011995733_100000179811 [0,0,0,1,0,0|3,0,0]=4 10639 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [0,0,0,1,0,0|2,0,0]=3 10640 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [0,0,0,1,0,0|2,0,0]=3 10641 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [0,0,0,1,0,0|2,0,0]=3 10642 B12R1.37 CCCCSCCN1CCCC1 62a_100000210211_100000004467 [0,0,0,1,0,0|3,0,0]=4 10643 B12R1.37 CCCCSCCN1CCCC1 62a_100000700749_100000210210 [0,0,0,1,0,0|3,0,0]=4 10644 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [0,0,0,1,0,0|2,0,0]=3 10645 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [0,0,0,1,0,0|2,0,0]=3 10646 B12R1.37 CCCNCCOC1CCCC1 34a_100000741755_100000210303 [0,0,0,1,0,0|3,0,0]=4 10647 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [0,0,0,1,0,0|2,0,0]=3 10648 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [0,0,0,1,0,0|2,0,0]=3 10649 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [0,0,0,1,0,0|2,0,0]=3 10650 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [0,0,0,1,0,0|2,0,0]=3 10651 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [0,0,0,1,0,0|2,0,0]=3 10652 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [0,0,0,1,0,0|2,0,0]=3 10653 B12R1.37 CCCOCCCN1CCCC1 34a_100000210258_100016991639 [0,0,0,1,0,0|3,0,0]=4 10654 B12R1.37 CCCOCCNC1CCCC1 2230a_100000211070_100011215938 [0,0,0,1,0,0|3,0,0]=4 10655 B12R1.37 CCCOCCNC1CCCC1 2230a_100161115042_100000179811 [0,0,0,1,0,0|3,0,0]=4 10656 B12R1.37 CCCOCCNC1CCCC1 270004a_100161115042_100000210133 [0,0,0,1,0,0|3,0,0]=4 10657 B12R1.37 CCCOCCNC1CCCC1 34a_100000211070_100011215938 [0,0,0,1,0,0|3,0,0]=4 10658 B12R1.37 CCCOCCNC1CCCC1 34a_100161115042_100000179811 [0,0,0,1,0,0|3,0,0]=4 10659 B12R1.37 CCCOCCNC1CCCC1 34a_200000200444_100000210303 [0,0,0,1,0,0|3,0,0]=4 10660 B12R1.37 CCCOCCOC1CCCC1 34a_100000210269_100011215938 [0,0,0,1,0,0|3,0,0]=4 10661 B12R1.37 CCCOCCOC1CCCC1 34a_100000738311_100000210303 [0,0,0,1,0,0|3,0,0]=4 10662 B12R1.37 CCCOCCOC1CCCC1 34a_100000752267_100000179811 [0,0,0,1,0,0|3,0,0]=4 10663 B12R1.37 CCCOCCOC1CCCC1 7a_100000210269_100011215938 [0,0,0,1,0,0|3,0,0]=4 10664 B12R1.37 CCCOCCOC1CCCC1 7a_100000738311_100000210303 [0,0,0,1,0,0|3,0,0]=4 10665 B12R1.37 CCCOCCOC1CCCC1 7a_100000752267_100000179811 [0,0,0,1,0,0|3,0,0]=4 10666 B12R1.37 CCCOCCOC1CCCO1 34a_100000085407_100011215938 [0,0,0,1,0,0|2,0,0]=3 10667 B12R1.37 CCCOCCSC1CCCC1 62a_100011215938_100000179811 [0,0,0,1,0,0|3,0,0]=4 10668 B12R1.37 CCCOCCSC1CCCC1 62a_100011217020_100011215938 [0,0,0,1,0,0|3,0,0]=4 10669 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [0,0,0,1,0,0|2,0,0]=3 10670 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [0,0,0,1,0,0|2,0,0]=3 10671 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [0,0,0,1,0,0|2,0,0]=3 10672 B12R1.37 CCCSCCCN1CCCC1 62a_100000210303_100011445909 [0,0,0,1,0,0|3,0,0]=4 10673 B12R1.37 CCCSCCCN1CCCC1 62a_100016991639_100000210303 [0,0,0,1,0,0|3,0,0]=4 10674 B12R1.37 CCCSCCNC1CCCC1 2230a_100020603323_100000179811 [0,0,0,1,0,0|3,0,0]=4 10675 B12R1.37 CCCSCCNC1CCCC1 270004a_100020603323_100000210133 [0,0,0,1,0,0|3,0,0]=4 10676 B12R1.37 CCCSCCOC1CCCC1 34a_200000230433_100000179811 [0,0,0,1,0,0|3,0,0]=4 10677 B12R1.37 CCCSCCOC1CCCC1 7a_200000230433_100000179811 [0,0,0,1,0,0|3,0,0]=4 10678 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [0,0,0,1,0,0|2,0,0]=3 10679 B12R1.37 CCNCCCOC1CCCC1 34a_100000747560_100000210202 [0,0,0,1,0,0|3,0,0]=4 10680 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [0,0,0,1,0,0|2,0,0]=3 10681 B12R1.37 CCOCCCNC1CCCC1 2230a_100000210961_100000179811 [0,0,0,1,0,0|3,0,0]=4 10682 B12R1.37 CCOCCCNC1CCCC1 2230a_100000211070_100012232248 [0,0,0,1,0,0|3,0,0]=4 10683 B12R1.37 CCOCCCNC1CCCC1 270004a_100000210961_100000210133 [0,0,0,1,0,0|3,0,0]=4 10684 B12R1.37 CCOCCCNC1CCCC1 34a_100000210961_100000179811 [0,0,0,1,0,0|3,0,0]=4 10685 B12R1.37 CCOCCCNC1CCCC1 34a_100000211070_100012232248 [0,0,0,1,0,0|3,0,0]=4 10686 B12R1.37 CCOCCCOC1CCCC1 34a_100000210269_100012232248 [0,0,0,1,0,0|3,0,0]=4 10687 B12R1.37 CCOCCCOC1CCCC1 34a_100000757476_100000179811 [0,0,0,1,0,0|3,0,0]=4 10688 B12R1.37 CCOCCCOC1CCCC1 7a_100000210269_100012232248 [0,0,0,1,0,0|3,0,0]=4 10689 B12R1.37 CCOCCCOC1CCCC1 7a_100000757476_100000179811 [0,0,0,1,0,0|3,0,0]=4 10690 B12R1.37 CCOCCCOC1CCCO1 34a_100000085407_100012232248 [0,0,0,1,0,0|2,0,0]=3 10691 B12R1.37 CCOCCCSC1CCCC1 62a_100011217020_100012232248 [0,0,0,1,0,0|3,0,0]=4 10692 B12R1.37 CCOCCCSC1CCCC1 62a_100012232248_100000179811 [0,0,0,1,0,0|3,0,0]=4 10693 B12R1.37 CCOCCNCC1CCCC1 2230a_100000737975_100011215890 [0,0,0,1,0,0|3,0,0]=4 10694 B12R1.37 CCOCCNCC1CCCC1 2230a_102516460346_100000740388 [0,0,0,1,0,0|3,0,0]=4 10695 B12R1.37 CCOCCNCC1CCCC1 269862a_100011200944_100000746403 [0,0,0,1,0,0|3,0,0]=4 10696 B12R1.37 CCOCCNCC1CCCC1 34a_100000737975_100000210147 [0,0,0,1,0,0|3,0,0]=4 10697 B12R1.37 CCOCCNCC1CCCC1 34a_102516460346_100000740388 [0,0,0,1,0,0|3,0,0]=4 10698 B12R1.37 CCOCCNCC1CCCO1 2230a_102516460346_100000203698 [0,0,0,1,0,0|2,0,0]=3 10699 B12R1.37 CCOCCNCC1OCCO1 2230a_100000036311_100011215890 [0,0,0,1,0,0|3,0,0]=4 10700 B12R1.37 CCOCCNCC1OCCO1 2230a_102516460346_100000755774 [0,0,0,1,0,0|3,0,0]=4 10701 B12R1.37 CCOCCNCC1OCCO1 34a_100000036311_100000210147 [0,0,0,1,0,0|3,0,0]=4 10702 B12R1.37 CCOCCNCC1OCCO1 34a_102516460346_100000755774 [0,0,0,1,0,0|3,0,0]=4 10703 B12R1.37 CCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215890 [0,0,0,1,0,0|2,0,0]=3 10704 B12R1.37 CCOCCNC[C@@H]1CCCO1 34a_100020590478_100000210147 [0,0,0,1,0,0|2,0,0]=3 10705 B12R1.37 CCOCCOCC1CCCC1 34a_100000210136_100000740388 [0,0,0,1,0,0|3,0,0]=4 10706 B12R1.37 CCOCCOCC1CCCC1 34a_100000742336_100000210147 [0,0,0,1,0,0|3,0,0]=4 10707 B12R1.37 CCOCCOCC1CCCC1 7a_100000210136_100000740388 [0,0,0,1,0,0|3,0,0]=4 10708 B12R1.37 CCOCCOCC1CCCC1 7a_100000742336_100011215890 [0,0,0,1,0,0|3,0,0]=4 10709 B12R1.37 CCOCCOCC1CCCO1 34a_100000210270_100000210147 [0,0,0,1,0,0|2,0,0]=3 10710 B12R1.37 CCOCCOCC1CCCO1 7a_100000210136_100000203698 [0,0,0,1,0,0|2,0,0]=3 10711 B12R1.37 CCOCCOCC1CCCO1 7a_100000210270_100011215890 [0,0,0,1,0,0|2,0,0]=3 10712 B12R1.37 CCOCCOCC1COCO1 34a_100011216627_100000210147 [0,0,0,1,0,0|3,0,0]=4 10713 B12R1.37 CCOCCOCC1OCCO1 34a_100000087154_100000210147 [0,0,0,1,0,0|3,0,0]=4 10714 B12R1.37 CCOCCOCC1OCCO1 34a_100000210136_100000755774 [0,0,0,1,0,0|3,0,0]=4 10715 B12R1.37 CCOCCOCC1OCCO1 7a_100000210136_100000755774 [0,0,0,1,0,0|3,0,0]=4 10716 B12R1.37 CCOCCOC[C@H]1CCCN1 34a_100000745186_100000210147 [0,0,0,1,0,0|3,0,0]=4 10717 B12R1.37 CCOCCSCC1CCCC1 62a_100000210147_100000740388 [0,0,0,1,0,0|3,0,0]=4 10718 B12R1.37 CCOCCSCC1CCCC1 62a_100000740388_100011215890 [0,0,0,1,0,0|3,0,0]=4 10719 B12R1.37 CCOCCSCC1CCCO1 62a_100000203698_100011215890 [0,0,0,1,0,0|2,0,0]=3 10720 B12R1.37 CCOCCSCC1CCCO1 62a_100000210147_100000203698 [0,0,0,1,0,0|2,0,0]=3 10721 B12R1.37 CCOCCSCC1OCCO1 62a_100000210147_100000755774 [0,0,0,1,0,0|3,0,0]=4 10722 B12R1.37 CCOCCSCC1OCCO1 62a_100000755774_100011215890 [0,0,0,1,0,0|3,0,0]=4 10723 B12R1.37 CCOCSCCC1CCCC1 62a_100000739092_100000760354 [0,0,0,1,0,0|3,0,0]=4 10724 B12R1.37 CCOCSCCC1CCCC1 62a_100000760354_100000739092 [0,0,0,1,0,0|3,0,0]=4 10725 B12R1.37 CCOCSCCC1OCCO1 62a_100000739092_100000740749 [0,0,0,1,0,0|3,0,0]=4 10726 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [0,0,0,1,0,0|2,0,0]=3 10727 B12R1.37 CCSCCCOC1CCCC1 34a_100011216438_100000179811 [0,0,0,1,0,0|3,0,0]=4 10728 B12R1.37 CCSCCCOC1CCCC1 7a_100011216438_100000179811 [0,0,0,1,0,0|3,0,0]=4 10729 B12R1.37 CCSCCNCC1CCCC1 2230a_100000106463_100000740388 [0,0,0,1,0,0|3,0,0]=4 10730 B12R1.37 CCSCCNCC1CCCC1 2230a_100000737975_100000757381 [0,0,0,1,0,0|3,0,0]=4 10731 B12R1.37 CCSCCNCC1CCCC1 269862a_100000106463_100000746403 [0,0,0,1,0,0|3,0,0]=4 10732 B12R1.37 CCSCCNCC1CCCC1 34a_100000737975_100000757381 [0,0,0,1,0,0|3,0,0]=4 10733 B12R1.37 CCSCCNCC1CCCO1 2230a_100000106463_100000203698 [0,0,0,1,0,0|2,0,0]=3 10734 B12R1.37 CCSCCNCC1OCCO1 2230a_100000036311_100000757381 [0,0,0,1,0,0|3,0,0]=4 10735 B12R1.37 CCSCCNCC1OCCO1 2230a_100000106463_100000755774 [0,0,0,1,0,0|3,0,0]=4 10736 B12R1.37 CCSCCNCC1OCCO1 34a_100000036311_100000757381 [0,0,0,1,0,0|3,0,0]=4 10737 B12R1.37 CCSCCNC[C@@H]1CCCO1 2230a_100020590478_100000757381 [0,0,0,1,0,0|2,0,0]=3 10738 B12R1.37 CCSCCNC[C@@H]1CCCO1 34a_100020590478_100000757381 [0,0,0,1,0,0|2,0,0]=3 10739 B12R1.37 CCSCCOCC1CCCC1 34a_100000212035_100000740388 [0,0,0,1,0,0|3,0,0]=4 10740 B12R1.37 CCSCCOCC1CCCC1 34a_100000742336_100000757381 [0,0,0,1,0,0|3,0,0]=4 10741 B12R1.37 CCSCCOCC1CCCC1 7a_100000212035_100000740388 [0,0,0,1,0,0|3,0,0]=4 10742 B12R1.37 CCSCCOCC1CCCC1 7a_100000742336_100000757381 [0,0,0,1,0,0|3,0,0]=4 10743 B12R1.37 CCSCCOCC1CCCO1 34a_100000210270_100000757381 [0,0,0,1,0,0|2,0,0]=3 10744 B12R1.37 CCSCCOCC1CCCO1 7a_100000210270_100000757381 [0,0,0,1,0,0|2,0,0]=3 10745 B12R1.37 CCSCCOCC1CCCO1 7a_100000212035_100000203698 [0,0,0,1,0,0|2,0,0]=3 10746 B12R1.37 CCSCCOCC1COCO1 34a_100011216627_100000757381 [0,0,0,1,0,0|3,0,0]=4 10747 B12R1.37 CCSCCOCC1OCCO1 34a_100000087154_100000757381 [0,0,0,1,0,0|3,0,0]=4 10748 B12R1.37 CCSCCOCC1OCCO1 34a_100000212035_100000755774 [0,0,0,1,0,0|3,0,0]=4 10749 B12R1.37 CCSCCOCC1OCCO1 7a_100000212035_100000755774 [0,0,0,1,0,0|3,0,0]=4 10750 B12R1.37 CCSCCOC[C@H]1CCCN1 34a_100000745186_100000757381 [0,0,0,1,0,0|3,0,0]=4 10751 B12R1.37 CCSCCSCC1CCCC1 62a_100000740388_100000757381 [0,0,0,1,0,0|3,0,0]=4 10752 B12R1.37 CCSCCSCC1CCCC1 62a_100000757381_100000740388 [0,0,0,1,0,0|3,0,0]=4 10753 B12R1.37 CCSCCSCC1CCCO1 62a_100000203698_100000757381 [0,0,0,1,0,0|2,0,0]=3 10754 B12R1.37 CCSCCSCC1CCCO1 62a_100000757381_100000203698 [0,0,0,1,0,0|2,0,0]=3 10755 B12R1.37 CCSCCSCC1OCCO1 62a_100000755774_100000757381 [0,0,0,1,0,0|3,0,0]=4 10756 B12R1.37 CCSCCSCC1OCCO1 62a_100000757381_100000755774 [0,0,0,1,0,0|3,0,0]=4 10757 B12R1.37 CNCCCOCC1CCCC1 34a_100000213112_100000740388 [0,0,0,1,0,0|3,0,0]=4 10758 B12R1.37 CNCCCOCC1OCCO1 34a_100000213112_100000755774 [0,0,0,1,0,0|3,0,0]=4 10759 B12R1.37 COCCCCNC1CCCC1 2230a_100000211070_100000730899 [0,0,0,1,0,0|3,0,0]=4 10760 B12R1.37 COCCCCNC1CCCC1 34a_100000211070_100000755781 [0,0,0,1,0,0|3,0,0]=4 10761 B12R1.37 COCCCCOC1CCCC1 34a_100000210269_100000755781 [0,0,0,1,0,0|3,0,0]=4 10762 B12R1.37 COCCCCOC1CCCC1 34a_100000740925_100000179811 [0,0,0,1,0,0|3,0,0]=4 10763 B12R1.37 COCCCCOC1CCCC1 7a_100000210269_100000730899 [0,0,0,1,0,0|3,0,0]=4 10764 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [0,0,0,1,0,0|2,0,0]=3 10765 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [0,0,0,1,0,0|2,0,0]=3 10766 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [0,0,0,1,0,0|2,0,0]=3 10767 B12R1.37 COCCCCSC1CCCC1 62a_100000730899_100000179811 [0,0,0,1,0,0|3,0,0]=4 10768 B12R1.37 COCCCCSC1CCCC1 62a_100011217020_100000730899 [0,0,0,1,0,0|3,0,0]=4 10769 B12R1.37 COCCCNCC1CCCC1 2230a_100000737975_100000740836 [0,0,0,1,0,0|3,0,0]=4 10770 B12R1.37 COCCCNCC1CCCC1 269862a_100150723488_100000746403 [0,0,0,1,0,0|3,0,0]=4 10771 B12R1.37 COCCCNCC1CCCC1 34a_100000737975_100000740836 [0,0,0,1,0,0|3,0,0]=4 10772 B12R1.37 COCCCNCC1CCCC1 34a_100150723488_100000740388 [0,0,0,1,0,0|3,0,0]=4 10773 B12R1.37 COCCCNCC1OCCO1 2230a_100000036311_100000740836 [0,0,0,1,0,0|3,0,0]=4 10774 B12R1.37 COCCCNCC1OCCO1 34a_100000036311_100000740836 [0,0,0,1,0,0|3,0,0]=4 10775 B12R1.37 COCCCNCC1OCCO1 34a_100150723488_100000755774 [0,0,0,1,0,0|3,0,0]=4 10776 B12R1.37 COCCCNC[C@@H]1CCCO1 2230a_100020590478_100000740836 [0,0,0,1,0,0|2,0,0]=3 10777 B12R1.37 COCCCNC[C@@H]1CCCO1 34a_100020590478_100000740836 [0,0,0,1,0,0|2,0,0]=3 10778 B12R1.37 COCCCOCC1CCCC1 34a_100000740835_100000740388 [0,0,0,1,0,0|3,0,0]=4 10779 B12R1.37 COCCCOCC1CCCC1 34a_100000742336_100000740836 [0,0,0,1,0,0|3,0,0]=4 10780 B12R1.37 COCCCOCC1CCCC1 7a_100000742336_100000740836 [0,0,0,1,0,0|3,0,0]=4 10781 B12R1.37 COCCCOCC1CCCO1 34a_100000210270_100000740836 [0,0,0,1,0,0|2,0,0]=3 10782 B12R1.37 COCCCOCC1CCCO1 7a_100000210270_100000740836 [0,0,0,1,0,0|2,0,0]=3 10783 B12R1.37 COCCCOCC1COCO1 34a_100011216627_100000740836 [0,0,0,1,0,0|3,0,0]=4 10784 B12R1.37 COCCCOCC1OCCO1 34a_100000087154_100000740836 [0,0,0,1,0,0|3,0,0]=4 10785 B12R1.37 COCCCOCC1OCCO1 34a_100000740835_100000755774 [0,0,0,1,0,0|3,0,0]=4 10786 B12R1.37 COCCCOC[C@H]1CCCN1 34a_100000745186_100000740836 [0,0,0,1,0,0|3,0,0]=4 10787 B12R1.37 COCCCSCC1CCCC1 62a_100000709357_100000740388 [0,0,0,1,0,0|3,0,0]=4 10788 B12R1.37 COCCCSCC1CCCC1 62a_100000740388_100000709357 [0,0,0,1,0,0|3,0,0]=4 10789 B12R1.37 COCCCSCC1CCCO1 62a_100000203698_100000709357 [0,0,0,1,0,0|2,0,0]=3 10790 B12R1.37 COCCCSCC1CCCO1 62a_100000709357_100000203698 [0,0,0,1,0,0|2,0,0]=3 10791 B12R1.37 COCCCSCC1OCCO1 62a_100000709357_100000755774 [0,0,0,1,0,0|3,0,0]=4 10792 B12R1.37 COCCCSCC1OCCO1 62a_100000755774_100000709357 [0,0,0,1,0,0|3,0,0]=4 10793 B12R1.37 COCCNCCC1CCCC1 2230a_100000209980_100000760354 [0,0,0,1,0,0|3,0,0]=4 10794 B12R1.37 COCCNCCC1CCCC1 2230a_100000739158_100011201679 [0,0,0,1,0,0|3,0,0]=4 10795 B12R1.37 COCCNCCC1CCCC1 34a_100000739158_100011201679 [0,0,0,1,0,0|3,0,0]=4 10796 B12R1.37 COCCNCCC1OCCO1 2230a_100000034215_100011201679 [0,0,0,1,0,0|3,0,0]=4 10797 B12R1.37 COCCNCCC1OCCO1 2230a_100000209980_100000740749 [0,0,0,1,0,0|3,0,0]=4 10798 B12R1.37 COCCNCCC1OCCO1 34a_100000034215_100011201679 [0,0,0,1,0,0|3,0,0]=4 10799 B12R1.37 COCCOCCC1CCCC1 34a_100000210237_100000760354 [0,0,0,1,0,0|3,0,0]=4 10800 B12R1.37 COCCOCCC1CCCC1 34a_100000749090_100011201679 [0,0,0,1,0,0|3,0,0]=4 10801 B12R1.37 COCCOCCC1CCCC1 7a_100000749090_100000233755 [0,0,0,1,0,0|3,0,0]=4 10802 B12R1.37 COCCOCCC1OCCO1 34a_100000210237_100000740749 [0,0,0,1,0,0|3,0,0]=4 10803 B12R1.37 COCCSCCC1CCCC1 62a_100000233755_100000760354 [0,0,0,1,0,0|3,0,0]=4 10804 B12R1.37 COCCSCCC1CCCC1 62a_100000760354_100000233755 [0,0,0,1,0,0|3,0,0]=4 10805 B12R1.37 COCCSCCC1OCCO1 62a_100000233755_100000740749 [0,0,0,1,0,0|3,0,0]=4 10806 B12R1.37 COCNCCCC1CCCC1 2230a_100000736752_100000766300 [0,0,0,1,0,0|3,0,0]=4 10807 B12R1.37 COCSCCCC1CCCC1 62a_100000766300_100011713738 [0,0,0,1,0,0|3,0,0]=4 10808 B12R1.37 COCSCCCC1CCCC1 62a_100011713738_100000766300 [0,0,0,1,0,0|3,0,0]=4 10809 B12R1.37 COCSCCCC1OCCO1 62a_100000766300_100000042513 [0,0,0,1,0,0|3,0,0]=4 10810 B12R1.37 CSCCCCOC1CCCC1 34a_100011217163_100000179811 [0,0,0,1,0,0|3,0,0]=4 10811 B12R1.37 CSCCCCOC1CCCC1 7a_100011217163_100000179811 [0,0,0,1,0,0|3,0,0]=4 10812 B12R1.37 CSCCCNCC1CCCC1 2230a_100000749238_100000740388 [0,0,0,1,0,0|3,0,0]=4 10813 B12R1.37 CSCCCNCC1CCCC1 269862a_100000749238_100000746403 [0,0,0,1,0,0|3,0,0]=4 10814 B12R1.37 CSCCCNCC1CCCO1 2230a_100000749238_100000203698 [0,0,0,1,0,0|2,0,0]=3 10815 B12R1.37 CSCCCNCC1OCCO1 2230a_100000749238_100000755774 [0,0,0,1,0,0|3,0,0]=4 10816 B12R1.37 CSCCCOCC1CCCC1 34a_100000690336_100000740388 [0,0,0,1,0,0|3,0,0]=4 10817 B12R1.37 CSCCCOCC1CCCC1 7a_100000690336_100000740388 [0,0,0,1,0,0|3,0,0]=4 10818 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [0,0,0,1,0,0|2,0,0]=3 10819 B12R1.37 CSCCCOCC1OCCO1 34a_100000690336_100000755774 [0,0,0,1,0,0|3,0,0]=4 10820 B12R1.37 CSCCCOCC1OCCO1 7a_100000690336_100000755774 [0,0,0,1,0,0|3,0,0]=4 10821 B12R1.37 CSCCNCCC1CCCC1 2230a_100000739158_100000751147 [0,0,0,1,0,0|3,0,0]=4 10822 B12R1.37 CSCCNCCC1CCCC1 2230a_100020590264_100000760354 [0,0,0,1,0,0|3,0,0]=4 10823 B12R1.37 CSCCNCCC1CCCC1 34a_100000739158_100000212216 [0,0,0,1,0,0|3,0,0]=4 10824 B12R1.37 CSCCNCCC1OCCO1 2230a_100000034215_100000751147 [0,0,0,1,0,0|3,0,0]=4 10825 B12R1.37 CSCCNCCC1OCCO1 2230a_100020590264_100000740749 [0,0,0,1,0,0|3,0,0]=4 10826 B12R1.37 CSCCNCCC1OCCO1 34a_100000034215_100000212216 [0,0,0,1,0,0|3,0,0]=4 10827 B12R1.37 CSCCOCCC1CCCC1 34a_100000230434_100000760354 [0,0,0,1,0,0|3,0,0]=4 10828 B12R1.37 CSCCOCCC1CCCC1 34a_100000749090_100000212216 [0,0,0,1,0,0|3,0,0]=4 10829 B12R1.37 CSCCOCCC1CCCC1 7a_100000230434_100000760354 [0,0,0,1,0,0|3,0,0]=4 10830 B12R1.37 CSCCOCCC1CCCC1 7a_100000749090_100000212216 [0,0,0,1,0,0|3,0,0]=4 10831 B12R1.37 CSCCOCCC1OCCO1 34a_100000230434_100000740749 [0,0,0,1,0,0|3,0,0]=4 10832 B12R1.37 CSCCOCCC1OCCO1 7a_100000230434_100000740749 [0,0,0,1,0,0|3,0,0]=4 10833 B12R1.37 CSCCSCCC1CCCC1 62a_100000212216_100000760354 [0,0,0,1,0,0|3,0,0]=4 10834 B12R1.37 CSCCSCCC1CCCC1 62a_100000760354_100000751147 [0,0,0,1,0,0|3,0,0]=4 10835 B12R1.37 CSCCSCCC1OCCO1 62a_100000212216_100000740749 [0,0,0,1,0,0|3,0,0]=4 10836 B12R1.37 CSCNCCCC1CCCC1 2230a_100000736752_100011218213 [0,0,0,1,0,0|3,0,0]=4 10837 B12R1.37 CSCNCCCC1CCCC1 34a_100000736752_100011218213 [0,0,0,1,0,0|3,0,0]=4 10838 B12R1.37 CSCOCCCC1CCCC1 34a_100011215328_100011218213 [0,0,0,1,0,0|3,0,0]=4 10839 B12R1.37 CSCOCCCC1OCCO1 34a_100009871617_100011218213 [0,0,0,1,0,0|3,0,0]=4 10840 B12R1.37 CSCSCCCC1CCCC1 62a_100011218213_100011713738 [0,0,0,1,0,0|3,0,0]=4 10841 B12R1.37 CSCSCCCC1CCCC1 62a_100011713738_100011218213 [0,0,0,1,0,0|3,0,0]=4 10842 B12R1.37 CSCSCCCC1OCCO1 62a_100011218213_100000042513 [0,0,0,1,0,0|3,0,0]=4 10843 B12R1.37 ClCCCCCOC1CCCC1 34a_100000746330_100000179811 [0,0,0,1,0,0|2,0,0]=3 10844 B12R1.37 ClCCCCCOC1CCCC1 7a_100000746330_100000179811 [0,0,0,1,0,0|2,0,0]=3 10845 B12R1.37 ClCCCCCOC1CCOC1 34a_100000746330_100000690089 [0,0,0,1,0,0|3,0,0]=4 10846 B12R1.37 ClCCCCCOC1CCOC1 7a_100000746330_100000731011 [0,0,0,1,0,0|3,0,0]=4 10847 B12R1.37 ClCCCCOCC1CCCC1 34a_100000210776_100000740388 [0,0,0,1,0,0|2,0,0]=3 10848 B12R1.37 ClCCCCOCC1CCCC1 7a_100000210776_100000740388 [0,0,0,1,0,0|2,0,0]=3 10849 B12R1.37 ClCCCCOCC1CCCO1 7a_100000210776_100000203698 [0,0,0,1,0,0|2,0,0]=3 10850 B12R1.37 ClCCCCOCC1CCOC1 34a_100000210776_100011261433 [0,0,0,1,0,0|3,0,0]=4 10851 B12R1.37 ClCCCCOCC1CCOC1 7a_100000210776_100000702531 [0,0,0,1,0,0|3,0,0]=4 10852 B12R1.37 ClCCCCOCC1OCCO1 34a_100000210776_100000755774 [0,0,0,1,0,0|3,0,0]=4 10853 B12R1.37 ClCCCCOCC1OCCO1 7a_100000210776_100000755774 [0,0,0,1,0,0|3,0,0]=4 10854 B12R1.37 ClCCCOCCC1CCCC1 34a_100000230001_100000760354 [0,0,0,1,0,0|2,0,0]=3 10855 B12R1.37 ClCCCOCCC1OCCO1 34a_100000230001_100000740749 [0,0,0,1,0,0|3,0,0]=4 10856 B12R1.37 ClCCOCCOC1CCCC1 34a_100011215305_100000179811 [0,0,0,1,0,0|3,0,0]=4 10857 B12R1.37 ClCCOCCOC1CCCC1 7a_100011215305_100000179811 [0,0,0,1,0,0|3,0,0]=4 10858 B12R1.37 FCCCCCCN1CCCC1 2230a_100000188435_100015922095 [0,0,0,1,0,0|2,0,0]=3 10859 B12R1.37 FCCCCCCN1CCCC1 269982a_100000188435_100015922095 [0,0,0,1,0,0|2,0,0]=3 10860 B12R1.37 FCCCCCCN1CCSC1 2230a_100011215254_100015922095 [0,0,0,1,0,0|3,0,0]=4 10861 B12R1.37 FCCCCCCN1CCSC1 269982a_100011215254_100015922095 [0,0,0,1,0,0|3,0,0]=4 10862 B12R1.37 FCCCCCNC1CCCC1 2230a_100000211070_100000729378 [0,0,0,1,0,0|2,0,0]=3 10863 B12R1.37 FCCCCCNC1CCCC1 34a_100000211070_100000729378 [0,0,0,1,0,0|2,0,0]=3 10864 B12R1.37 FCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000729378 [0,0,0,1,0,0|3,0,0]=4 10865 B12R1.37 FCCCCCN[C@H]1CCOC1 2230a_100015188467_100000729378 [0,0,0,1,0,0|3,0,0]=4 10866 B12R1.37 FCCCCCN[C@H]1CCOC1 34a_100015188467_100000729378 [0,0,0,1,0,0|3,0,0]=4 10867 B12R1.37 FCCCCCOC1CCCC1 34a_100000210269_100000729378 [0,0,0,1,0,0|2,0,0]=3 10868 B12R1.37 FCCCCCOC1CCCC1 7a_100000210269_100000729378 [0,0,0,1,0,0|2,0,0]=3 10869 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [0,0,0,1,0,0|2,0,0]=3 10870 B12R1.37 FCCCCCOC1CCSC1 7a_100011232664_100000729378 [0,0,0,1,0,0|3,0,0]=4 10871 B12R1.37 FCCCCCO[C@H]1CCOC1 34a_100000717292_100000729378 [0,0,0,1,0,0|3,0,0]=4 10872 B12R1.37 FCCCCCSC1CCCC1 62a_100000729378_100000179811 [0,0,0,1,0,0|2,0,0]=3 10873 B12R1.37 FCCCCCSC1CCCC1 62a_100011217020_100000729378 [0,0,0,1,0,0|2,0,0]=3 10874 B12R1.37 FCCCCCSC1CCOC1 62a_100000729378_100000690089 [0,0,0,1,0,0|3,0,0]=4 10875 B12R1.37 FCCCCNCC1CCCC1 2230a_100000737975_100000729493 [0,0,0,1,0,0|2,0,0]=3 10876 B12R1.37 FCCCCNCC1CCCC1 34a_100000737975_100000729493 [0,0,0,1,0,0|2,0,0]=3 10877 B12R1.37 FCCCCNCC1CCOC1 2230a_100000737293_100000729493 [0,0,0,1,0,0|3,0,0]=4 10878 B12R1.37 FCCCCNCC1CCOC1 34a_100000737293_100000729493 [0,0,0,1,0,0|3,0,0]=4 10879 B12R1.37 FCCCCNCC1OCCO1 2230a_100000036311_100000729493 [0,0,0,1,0,0|3,0,0]=4 10880 B12R1.37 FCCCCNCC1OCCO1 34a_100000036311_100000729493 [0,0,0,1,0,0|3,0,0]=4 10881 B12R1.37 FCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729493 [0,0,0,1,0,0|2,0,0]=3 10882 B12R1.37 FCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729493 [0,0,0,1,0,0|2,0,0]=3 10883 B12R1.37 FCCCCOCC1CCCC1 34a_100000742336_100000729493 [0,0,0,1,0,0|2,0,0]=3 10884 B12R1.37 FCCCCOCC1CCCC1 34a_100011995726_100000740388 [0,0,0,1,0,0|2,0,0]=3 10885 B12R1.37 FCCCCOCC1CCCC1 7a_100000742336_100000729493 [0,0,0,1,0,0|2,0,0]=3 10886 B12R1.37 FCCCCOCC1CCCC1 7a_100011995726_100000740388 [0,0,0,1,0,0|2,0,0]=3 10887 B12R1.37 FCCCCOCC1CCCO1 34a_100000210270_100000729493 [0,0,0,1,0,0|2,0,0]=3 10888 B12R1.37 FCCCCOCC1CCCO1 7a_100000210270_100000729493 [0,0,0,1,0,0|2,0,0]=3 10889 B12R1.37 FCCCCOCC1CCCO1 7a_100011995726_100000203698 [0,0,0,1,0,0|2,0,0]=3 10890 B12R1.37 FCCCCOCC1CCNC1 34a_100000748654_100000729493 [0,0,0,1,0,0|3,0,0]=4 10891 B12R1.37 FCCCCOCC1CCOC1 34a_100000740260_100000729493 [0,0,0,1,0,0|3,0,0]=4 10892 B12R1.37 FCCCCOCC1CCOC1 34a_100011995726_100011261433 [0,0,0,1,0,0|3,0,0]=4 10893 B12R1.37 FCCCCOCC1CCOC1 7a_100011995726_100000702531 [0,0,0,1,0,0|3,0,0]=4 10894 B12R1.37 FCCCCOCC1COCO1 34a_100011216627_100000729493 [0,0,0,1,0,0|3,0,0]=4 10895 B12R1.37 FCCCCOCC1OCCO1 34a_100000087154_100000729493 [0,0,0,1,0,0|3,0,0]=4 10896 B12R1.37 FCCCCOCC1OCCO1 34a_100011995726_100000755774 [0,0,0,1,0,0|3,0,0]=4 10897 B12R1.37 FCCCCOCC1OCCO1 7a_100011995726_100000755774 [0,0,0,1,0,0|3,0,0]=4 10898 B12R1.37 FCCCCOC[C@H]1CCCN1 34a_100000745186_100000729493 [0,0,0,1,0,0|3,0,0]=4 10899 B12R1.37 FCCCCSCC1CCCC1 62a_100000729493_100000740388 [0,0,0,1,0,0|2,0,0]=3 10900 B12R1.37 FCCCCSCC1CCCC1 62a_100000740388_100000729493 [0,0,0,1,0,0|2,0,0]=3 10901 B12R1.37 FCCCCSCC1CCCO1 62a_100000203698_100000729493 [0,0,0,1,0,0|2,0,0]=3 10902 B12R1.37 FCCCCSCC1CCCO1 62a_100000729493_100000203698 [0,0,0,1,0,0|2,0,0]=3 10903 B12R1.37 FCCCCSCC1CCOC1 62a_100000702531_100000729493 [0,0,0,1,0,0|3,0,0]=4 10904 B12R1.37 FCCCCSCC1CCOC1 62a_100000729493_100000702531 [0,0,0,1,0,0|3,0,0]=4 10905 B12R1.37 FCCCCSCC1OCCO1 62a_100000729493_100000755774 [0,0,0,1,0,0|3,0,0]=4 10906 B12R1.37 FCCCCSCC1OCCO1 62a_100000755774_100000729493 [0,0,0,1,0,0|3,0,0]=4 10907 B12R1.37 FCCCNCCC1CCCC1 2230a_100000739158_100011934791 [0,0,0,1,0,0|2,0,0]=3 10908 B12R1.37 FCCCNCCC1CCCC1 2230a_100015189416_100000760354 [0,0,0,1,0,0|2,0,0]=3 10909 B12R1.37 FCCCNCCC1CCCC1 34a_100000739158_100011934791 [0,0,0,1,0,0|2,0,0]=3 10910 B12R1.37 FCCCNCCC1CCCC1 34a_100015189416_100000760354 [0,0,0,1,0,0|2,0,0]=3 10911 B12R1.37 FCCCNCCC1OCCO1 2230a_100000034215_100011934791 [0,0,0,1,0,0|3,0,0]=4 10912 B12R1.37 FCCCNCCC1OCCO1 2230a_100015189416_100000740749 [0,0,0,1,0,0|3,0,0]=4 10913 B12R1.37 FCCCNCCC1OCCO1 34a_100000034215_100011934791 [0,0,0,1,0,0|3,0,0]=4 10914 B12R1.37 FCCCNCCC1OCCO1 34a_100015189416_100000740749 [0,0,0,1,0,0|3,0,0]=4 10915 B12R1.37 FCCCOCCC1CCCC1 34a_100000749090_100011934791 [0,0,0,1,0,0|2,0,0]=3 10916 B12R1.37 FCCCOCCC1CCCC1 34a_100000759539_100000760354 [0,0,0,1,0,0|2,0,0]=3 10917 B12R1.37 FCCCOCCC1CCCC1 7a_100000749090_100011934791 [0,0,0,1,0,0|2,0,0]=3 10918 B12R1.37 FCCCOCCC1CCNC1 34a_100016987287_100011934791 [0,0,0,1,0,0|3,0,0]=4 10919 B12R1.37 FCCCOCCC1CCOC1 34a_100011879284_100011934791 [0,0,0,1,0,0|3,0,0]=4 10920 B12R1.37 FCCCOCCC1OCCO1 34a_100000759539_100000740749 [0,0,0,1,0,0|3,0,0]=4 10921 B12R1.37 FCCCSCCC1CCCC1 62a_100000760354_100011934791 [0,0,0,1,0,0|2,0,0]=3 10922 B12R1.37 FCCCSCCC1CCCC1 62a_100011934791_100000760354 [0,0,0,1,0,0|2,0,0]=3 10923 B12R1.37 FCCCSCCC1OCCO1 62a_100011934791_100000740749 [0,0,0,1,0,0|3,0,0]=4 10924 B12R1.37 FCCCSCCN1CCCC1 62a_100000700749_100011934791 [0,0,0,1,0,0|3,0,0]=4 10925 B12R1.37 FCCCSCCN1CCCC1 62a_100011934791_100000004467 [0,0,0,1,0,0|3,0,0]=4 10926 B12R1.37 FCCNCCCC1CCCC1 2230a_100000736752_100011217306 [0,0,0,1,0,0|2,0,0]=3 10927 B12R1.37 FCCNCCCC1CCCC1 34a_100000724931_100011713738 [0,0,0,1,0,0|2,0,0]=3 10928 B12R1.37 FCCNCCCC1CCCC1 34a_100000736752_100011217306 [0,0,0,1,0,0|2,0,0]=3 10929 B12R1.37 FCCNCCCC1OCCO1 34a_100000724931_100009861162 [0,0,0,1,0,0|3,0,0]=4 10930 B12R1.37 FCCNCCCN1CCCC1 34a_100000724931_100016991639 [0,0,0,1,0,0|3,0,0]=4 10931 B12R1.37 FCCNCCOC1CCCC1 34a_100000741755_100011217306 [0,0,0,1,0,0|3,0,0]=4 10932 B12R1.37 FCCOCCCC1CCCC1 34a_100011215328_100011217306 [0,0,0,1,0,0|2,0,0]=3 10933 B12R1.37 FCCOCCCC1CCCC1 7a_100011215328_100011217306 [0,0,0,1,0,0|2,0,0]=3 10934 B12R1.37 FCCOCCCC1OCCO1 34a_100009871617_100011217306 [0,0,0,1,0,0|3,0,0]=4 10935 B12R1.37 FCCOCCCC1OCCO1 7a_100009871617_100011217306 [0,0,0,1,0,0|3,0,0]=4 10936 B12R1.37 FCCOCCNC1CCCC1 34a_200000200444_100011217306 [0,0,0,1,0,0|3,0,0]=4 10937 B12R1.37 FCCOCCOC1CCCC1 34a_100000738311_100011217306 [0,0,0,1,0,0|3,0,0]=4 10938 B12R1.37 FCCOCCOC1CCCC1 34a_200015357709_100000179811 [0,0,0,1,0,0|3,0,0]=4 10939 B12R1.37 FCCOCCOC1CCCC1 7a_100000738311_100011217306 [0,0,0,1,0,0|3,0,0]=4 10940 B12R1.37 FCCOCCOC1CCCC1 7a_200015357709_100000179811 [0,0,0,1,0,0|3,0,0]=4 10941 B12R1.37 FCCSCCCC1CCCC1 62a_100011217306_100011713738 [0,0,0,1,0,0|2,0,0]=3 10942 B12R1.37 FCCSCCCC1CCCC1 62a_100011713738_100011217306 [0,0,0,1,0,0|2,0,0]=3 10943 B12R1.37 FCCSCCCC1OCCO1 62a_100011217306_100000042513 [0,0,0,1,0,0|3,0,0]=4 10944 B12R1.37 FCCSCCCN1CCCC1 62a_100011217306_100011445909 [0,0,0,1,0,0|3,0,0]=4 10945 B12R1.37 FCCSCCCN1CCCC1 62a_100016991639_100011217306 [0,0,0,1,0,0|3,0,0]=4 10946 B12R1.37 FCNCCCOC1CCCC1 34a_100000747560_100015361967 [0,0,0,1,0,0|3,0,0]=4 10947 B12R1.37 FCSCCCCC1OCCO1 62a_100015361967_100000034956 [0,0,0,1,0,0|3,0,0]=4 10948 B12R1.37 ICCCCCOC1CCCC1 34a_200012148887_100000179811 [0,0,0,1,0,0|2,0,0]=3 10949 B12R1.37 ICCCCCOC1CCCC1 7a_200012148887_100000179811 [0,0,0,1,0,0|2,0,0]=3 10950 B12R1.37 ICCCCCOC1CCOC1 34a_200012148887_100000690089 [0,0,0,1,0,0|3,0,0]=4 10951 B12R1.37 ICCCCCOC1CCOC1 7a_200012148887_100000731011 [0,0,0,1,0,0|3,0,0]=4 10952 B12R1.37 ICCCCOCC1CCCC1 34a_200012148704_100000740388 [0,0,0,1,0,0|2,0,0]=3 10953 B12R1.37 ICCCCOCC1CCOC1 34a_200012148704_100011261433 [0,0,0,1,0,0|3,0,0]=4 10954 B12R1.37 ICCCCOCC1OCCO1 34a_200012148704_100000755774 [0,0,0,1,0,0|3,0,0]=4 10955 B12R1.37 ICCOCCOC1CCCC1 34a_100012149058_100000179811 [0,0,0,1,0,0|3,0,0]=4 10956 B12R1.37 ICCOCCOC1CCCC1 7a_100012149058_100000179811 [0,0,0,1,0,0|3,0,0]=4 10957 B12R1.37 N#CCCCCCN1CCCC1 2230a_100000188435_100009813376 [0,0,0,1,0,0|2,0,1]=4 10958 B12R1.37 N#CCCCCCN1CCCC1 269982a_100000188435_100009813376 [0,0,0,1,0,0|2,0,1]=4 10959 B12R1.37 N#CCCCCNC1CCCC1 2230a_100000211070_100000211819 [0,0,0,1,0,0|2,0,1]=4 10960 B12R1.37 N#CCCCCNC1CCCC1 270004a_100000751965_100000210133 [0,0,0,1,0,0|2,0,1]=4 10961 B12R1.37 N#CCCCCOC1CCCC1 7a_100000210269_100000211819 [0,0,0,1,0,0|2,0,1]=4 10962 B12R1.37 N#CCCCCSC1CCCC1 62a_100011217020_100000211819 [0,0,0,1,0,0|2,0,1]=4 10963 B12R1.37 N#CCCCCSC1CCCC1 62a_100011219923_100000179811 [0,0,0,1,0,0|2,0,1]=4 10964 B12R1.37 N#CCCCNCC1CCCC1 2230a_100000737975_100000687738 [0,0,0,1,0,0|2,0,1]=4 10965 B12R1.37 N#CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000687738 [0,0,0,1,0,0|2,0,1]=4 10966 B12R1.37 N#CCCCOCC1CCCC1 7a_100000742336_100000687738 [0,0,0,1,0,0|2,0,1]=4 10967 B12R1.37 N#CCCCOCC1CCCO1 7a_100000210270_100000687738 [0,0,0,1,0,0|2,0,1]=4 10968 B12R1.37 N#CCCCSCC1CCCC1 62a_100000687738_100000740388 [0,0,0,1,0,0|2,0,1]=4 10969 B12R1.37 N#CCCCSCC1CCCC1 62a_100000740388_100000687738 [0,0,0,1,0,0|2,0,1]=4 10970 B12R1.37 N#CCCCSCC1CCCO1 62a_100000203698_100000687738 [0,0,0,1,0,0|2,0,1]=4 10971 B12R1.37 N#CCCCSCC1CCCO1 62a_100000687738_100000203698 [0,0,0,1,0,0|2,0,1]=4 10972 B12R1.37 N#CCCNCCC1CCCC1 2230a_100000739158_100011215226 [0,0,0,1,0,0|2,0,1]=4 10973 B12R1.37 N#CCCOCCC1CCCC1 7a_100000749090_100000184422 [0,0,0,1,0,0|2,0,1]=4 10974 B12R1.37 N#CCCSCCC1CCCC1 62a_100000760354_100011215226 [0,0,0,1,0,0|2,0,1]=4 10975 B12R1.37 N#CCCSCCC1CCCC1 62a_100011215226_100000760354 [0,0,0,1,0,0|2,0,1]=4 10976 B12R1.37 N#CCNCCCC1CCCC1 2230a_100000736752_100011215382 [0,0,0,1,0,0|2,0,1]=4 10977 B12R1.37 N#CCOCCCC1CCCC1 7a_100011215328_100011215382 [0,0,0,1,0,0|2,0,1]=4 10978 B12R1.37 N#CCSCCCC1CCCC1 62a_100011215382_100011713738 [0,0,0,1,0,0|2,0,1]=4 10979 B12R1.37 N#CCSCCCC1CCCC1 62a_100011713738_100011215382 [0,0,0,1,0,0|2,0,1]=4 10980 B12R1.37 NCCCCCOC1CCCC1 34a_100000762737_100000179811 [0,0,0,1,0,0|2,0,0]=3 10981 B12R1.37 NCCCCCOC1CCOC1 34a_100000762737_100000690089 [0,0,0,1,0,0|3,0,0]=4 10982 B12R1.37 NCCCCOCC1CCCC1 34a_100000750430_100000740388 [0,0,0,1,0,0|2,0,0]=3 10983 B12R1.37 NCCCCOCC1CCOC1 34a_100000750430_100011261433 [0,0,0,1,0,0|3,0,0]=4 10984 B12R1.37 NCCCCOCC1OCCO1 34a_100000750430_100000755774 [0,0,0,1,0,0|3,0,0]=4 10985 B12R1.37 NCCCOCCC1CCCC1 34a_100000182051_100000760354 [0,0,0,1,0,0|2,0,0]=3 10986 B12R1.37 NCCCOCCC1OCCO1 34a_100000182051_100000740749 [0,0,0,1,0,0|3,0,0]=4 10987 B12R1.37 NCCOCCCC1CCCC1 34a_100000210304_100011713738 [0,0,0,1,0,0|2,0,0]=3 10988 B12R1.37 NCCOCCCC1OCCO1 34a_100000210304_100009861162 [0,0,0,1,0,0|3,0,0]=4 10989 B12R1.37 NCCOCCCN1CCCC1 34a_100000210304_100016991639 [0,0,0,1,0,0|3,0,0]=4 10990 B12R1.37 NCCOCCOC1CCCC1 34a_100000211614_100000179811 [0,0,0,1,0,0|3,0,0]=4 10991 B12R1.37 NOCCOCCC1CCCC1 34a_100000700252_100000760354 [0,0,0,1,0,0|3,0,0]=4 10992 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [0,0,0,1,0,0|1,0,2]=4 10993 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [0,0,0,1,0,0|1,0,2]=4 10994 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [0,0,0,1,0,0|1,0,2]=4 10995 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [0,0,0,1,0,0|1,0,2]=4 10996 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [0,0,0,1,0,0|1,0,2]=4 10997 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [0,0,0,1,0,0|1,0,2]=4 10998 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [0,0,0,1,0,0|1,0,2]=4 10999 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [0,0,0,1,0,0|2,0,1]=4 11000 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [0,0,0,1,0,0|1,0,2]=4 11001 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [0,0,0,1,0,0|2,0,1]=4 11002 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [0,0,0,1,0,0|1,0,2]=4 11003 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [0,0,0,1,0,0|1,0,2]=4 11004 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [0,0,0,1,0,0|2,0,1]=4 11005 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [0,0,0,1,0,0|2,0,1]=4 11006 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [0,0,0,1,0,0|1,0,2]=4 11007 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [0,0,0,1,0,0|1,0,2]=4 11008 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [0,0,0,1,0,0|1,0,2]=4 11009 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [0,0,0,1,0,0|1,0,2]=4 11010 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [0,0,0,1,0,0|1,0,2]=4 11011 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [0,0,0,1,0,0|1,0,2]=4 11012 B12R1.37 OCC#CCNCC1CCCC1 2230a_100000737975_200000047223 [0,0,0,1,0,0|1,0,2]=4 11013 B12R1.37 OCC#CCNCC1CCCC1 34a_100000737975_200000047223 [0,0,0,1,0,0|1,0,2]=4 11014 B12R1.37 OCC#CCOCC1CCCC1 34a_100000742336_200000047223 [0,0,0,1,0,0|1,0,2]=4 11015 B12R1.37 OCC#CCOCC1CCCC1 7a_100000742336_200000047223 [0,0,0,1,0,0|1,0,2]=4 11016 B12R1.37 OCC#CCSCC1CCCC1 62a_100000740388_200000047223 [0,0,0,1,0,0|1,0,2]=4 11017 B12R1.37 OCC#CCSCC1CCCC1 62a_200000047223_100000740388 [0,0,0,1,0,0|1,0,2]=4 11018 B12R1.37 OCCCCCCN1CC=CC1 269982a_100015195280_100000766143 [0,0,0,1,0,0|1,0,2]=4 11019 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [0,0,0,1,0,0|1,0,0]=2 11020 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [0,0,0,1,0,0|1,0,0]=2 11021 B12R1.37 OCCCCCCN1CCSC1 2230a_100011215254_100000766143 [0,0,0,1,0,0|2,0,0]=3 11022 B12R1.37 OCCCCCCN1CCSC1 269982a_100011215254_100000766143 [0,0,0,1,0,0|2,0,0]=3 11023 B12R1.37 OCCCCCNC1CC=CC1 2230a_100015188752_100000746330 [0,0,0,1,0,0|1,0,2]=4 11024 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [0,0,0,1,0,0|1,0,0]=2 11025 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [0,0,0,1,0,0|1,0,0]=2 11026 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [0,0,0,1,0,0|1,0,0]=2 11027 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [0,0,0,1,0,0|1,0,0]=2 11028 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [0,0,0,1,0,0|1,0,0]=2 11029 B12R1.37 OCCCCCNC1CCOC1 2230a_100000762737_100000731011 [0,0,0,1,0,0|2,0,0]=3 11030 B12R1.37 OCCCCCNC1CCOC1 270004a_100000762737_100000752484 [0,0,0,1,0,0|2,0,0]=3 11031 B12R1.37 OCCCCCNC1CCOC1 34a_100000762737_100000690089 [0,0,0,1,0,0|2,0,0]=3 11032 B12R1.37 OCCCCCNC1CCSC1 270004a_100000762737_100000212027 [0,0,0,1,0,0|2,0,0]=3 11033 B12R1.37 OCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000746330 [0,0,0,1,0,0|2,0,0]=3 11034 B12R1.37 OCCCCCN[C@H]1CCOC1 2230a_100015188467_100000746330 [0,0,0,1,0,0|2,0,0]=3 11035 B12R1.37 OCCCCCN[C@H]1CCOC1 34a_100015188467_100000746330 [0,0,0,1,0,0|2,0,0]=3 11036 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,0,0,1,0,0|1,0,0]=2 11037 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,0,0,1,0,0|1,0,0]=2 11038 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [0,0,0,1,0,0|2,0,0]=3 11039 B12R1.37 OCCCCCOC1CCSC1 7a_100011232664_100000746330 [0,0,0,1,0,0|2,0,0]=3 11040 B12R1.37 OCCCCCO[C@H]1CCOC1 34a_100000717292_100000746330 [0,0,0,1,0,0|2,0,0]=3 11041 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [0,0,0,1,0,0|1,0,0]=2 11042 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [0,0,0,1,0,0|1,0,0]=2 11043 B12R1.37 OCCCCCSC1CCOC1 62a_100000746330_100000690089 [0,0,0,1,0,0|2,0,0]=3 11044 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [0,0,0,1,0,0|1,0,0]=2 11045 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [0,0,0,1,0,0|1,0,0]=2 11046 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [0,0,0,1,0,0|1,0,0]=2 11047 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [0,0,0,1,0,0|1,0,0]=2 11048 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [0,0,0,1,0,0|1,0,0]=2 11049 B12R1.37 OCCCCNCC1CCCO1 2230a_100000750430_100000203698 [0,0,0,1,0,0|2,0,0]=3 11050 B12R1.37 OCCCCNCC1CCOC1 2230a_100000737293_100000210776 [0,0,0,1,0,0|2,0,0]=3 11051 B12R1.37 OCCCCNCC1CCOC1 2230a_100000750430_100000702531 [0,0,0,1,0,0|2,0,0]=3 11052 B12R1.37 OCCCCNCC1CCOC1 34a_100000737293_100011216708 [0,0,0,1,0,0|2,0,0]=3 11053 B12R1.37 OCCCCNCC1CCOC1 34a_100000750430_100011261433 [0,0,0,1,0,0|2,0,0]=3 11054 B12R1.37 OCCCCNCC1OCCO1 2230a_100000036311_100000210776 [0,0,0,1,0,0|3,0,0]=4 11055 B12R1.37 OCCCCNCC1OCCO1 2230a_100000750430_100000755774 [0,0,0,1,0,0|3,0,0]=4 11056 B12R1.37 OCCCCNCC1OCCO1 34a_100000036311_100011216708 [0,0,0,1,0,0|3,0,0]=4 11057 B12R1.37 OCCCCNCC1OCCO1 34a_100000750430_100000755774 [0,0,0,1,0,0|3,0,0]=4 11058 B12R1.37 OCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210776 [0,0,0,1,0,0|2,0,0]=3 11059 B12R1.37 OCCCCNC[C@@H]1CCCO1 34a_100020590478_100011216708 [0,0,0,1,0,0|2,0,0]=3 11060 B12R1.37 OCCCCOCC1CC=CC1 34a_100000688395_100011216708 [0,0,0,1,0,0|1,0,2]=4 11061 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [0,0,0,1,0,0|1,0,0]=2 11062 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [0,0,0,1,0,0|1,0,0]=2 11063 B12R1.37 OCCCCOCC1CCCO1 34a_100000210270_100011216708 [0,0,0,1,0,0|2,0,0]=3 11064 B12R1.37 OCCCCOCC1CCCO1 7a_100000210270_100000210776 [0,0,0,1,0,0|2,0,0]=3 11065 B12R1.37 OCCCCOCC1CCNC1 34a_100000748654_100011216708 [0,0,0,1,0,0|2,0,0]=3 11066 B12R1.37 OCCCCOCC1CCOC1 34a_100000740260_100011216708 [0,0,0,1,0,0|2,0,0]=3 11067 B12R1.37 OCCCCOCC1COCO1 34a_100011216627_100011216708 [0,0,0,1,0,0|3,0,0]=4 11068 B12R1.37 OCCCCOCC1OCCO1 34a_100000087154_100011216708 [0,0,0,1,0,0|3,0,0]=4 11069 B12R1.37 OCCCCOC[C@H]1CCCN1 34a_100000745186_100011216708 [0,0,0,1,0,0|2,0,0]=3 11070 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [0,0,0,1,0,0|1,0,0]=2 11071 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [0,0,0,1,0,0|1,0,0]=2 11072 B12R1.37 OCCCCSCC1CCCO1 62a_100000203698_100000210776 [0,0,0,1,0,0|2,0,0]=3 11073 B12R1.37 OCCCCSCC1CCCO1 62a_100000210776_100000203698 [0,0,0,1,0,0|2,0,0]=3 11074 B12R1.37 OCCCCSCC1CCOC1 62a_100000210776_100000702531 [0,0,0,1,0,0|2,0,0]=3 11075 B12R1.37 OCCCCSCC1CCOC1 62a_100000702531_100000210776 [0,0,0,1,0,0|2,0,0]=3 11076 B12R1.37 OCCCCSCC1OCCO1 62a_100000210776_100000755774 [0,0,0,1,0,0|3,0,0]=4 11077 B12R1.37 OCCCCSCC1OCCO1 62a_100000755774_100000210776 [0,0,0,1,0,0|3,0,0]=4 11078 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [0,0,0,1,0,0|1,0,0]=2 11079 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [0,0,0,1,0,0|1,0,0]=2 11080 B12R1.37 OCCCNCCC1OCCO1 2230a_100000034215_100000230001 [0,0,0,1,0,0|3,0,0]=4 11081 B12R1.37 OCCCNCCC1OCCO1 34a_100000034215_100000230001 [0,0,0,1,0,0|3,0,0]=4 11082 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [0,0,0,1,0,0|1,0,0]=2 11083 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [0,0,0,1,0,0|1,0,0]=2 11084 B12R1.37 OCCCOCCC1CCNC1 34a_100016987287_100000230001 [0,0,0,1,0,0|2,0,0]=3 11085 B12R1.37 OCCCOCCC1CCOC1 34a_100011879284_100000230001 [0,0,0,1,0,0|2,0,0]=3 11086 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [0,0,0,1,0,0|1,0,0]=2 11087 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [0,0,0,1,0,0|1,0,0]=2 11088 B12R1.37 OCCCSCCC1OCCO1 62a_100011215043_100000740749 [0,0,0,1,0,0|3,0,0]=4 11089 B12R1.37 OCCCSCCN1CCCC1 62a_100000700749_100011215043 [0,0,0,1,0,0|2,0,0]=3 11090 B12R1.37 OCCCSCCN1CCCC1 62a_100011215043_100000004467 [0,0,0,1,0,0|2,0,0]=3 11091 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [0,0,0,1,0,0|1,0,0]=2 11092 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [0,0,0,1,0,0|1,0,0]=2 11093 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [0,0,0,1,0,0|1,0,0]=2 11094 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [0,0,0,1,0,0|1,0,0]=2 11095 B12R1.37 OCCNCCCC1OCCO1 2230a_100016997473_100000042513 [0,0,0,1,0,0|3,0,0]=4 11096 B12R1.37 OCCNCCCC1OCCO1 34a_100016990907_100009861162 [0,0,0,1,0,0|3,0,0]=4 11097 B12R1.37 OCCNCCCN1CCCC1 2230a_100016997473_100011445909 [0,0,0,1,0,0|2,0,0]=3 11098 B12R1.37 OCCNCCCN1CCCC1 34a_100016990907_100016991639 [0,0,0,1,0,0|2,0,0]=3 11099 B12R1.37 OCCNCCOC1CCCC1 34a_100000741755_100000211926 [0,0,0,1,0,0|2,0,0]=3 11100 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [0,0,0,1,0,0|1,0,0]=2 11101 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [0,0,0,1,0,0|1,0,0]=2 11102 B12R1.37 OCCOCCCC1OCCO1 34a_100009871617_100000211926 [0,0,0,1,0,0|3,0,0]=4 11103 B12R1.37 OCCOCCCC1OCCO1 7a_100009871617_100000211926 [0,0,0,1,0,0|3,0,0]=4 11104 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211070_100011215305 [0,0,0,1,0,0|2,0,0]=3 11105 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211614_100000179811 [0,0,0,1,0,0|2,0,0]=3 11106 B12R1.37 OCCOCCNC1CCCC1 270004a_100000211614_100000210133 [0,0,0,1,0,0|2,0,0]=3 11107 B12R1.37 OCCOCCNC1CCCC1 34a_100000211070_100000692535 [0,0,0,1,0,0|2,0,0]=3 11108 B12R1.37 OCCOCCNC1CCCC1 34a_100000211614_100000179811 [0,0,0,1,0,0|2,0,0]=3 11109 B12R1.37 OCCOCCNC1CCCC1 34a_200000200444_100000211926 [0,0,0,1,0,0|2,0,0]=3 11110 B12R1.37 OCCOCCNC1CCOC1 2230a_100000211614_100000731011 [0,0,0,1,0,0|3,0,0]=4 11111 B12R1.37 OCCOCCNC1CCOC1 270004a_100000211614_100000752484 [0,0,0,1,0,0|3,0,0]=4 11112 B12R1.37 OCCOCCNC1CCOC1 34a_100000211614_100000690089 [0,0,0,1,0,0|3,0,0]=4 11113 B12R1.37 OCCOCCNC1CCSC1 270004a_100000211614_100000212027 [0,0,0,1,0,0|3,0,0]=4 11114 B12R1.37 OCCOCCN[C@@H]1CCOC1 2230a_200015188469_100011215305 [0,0,0,1,0,0|3,0,0]=4 11115 B12R1.37 OCCOCCN[C@H]1CCOC1 2230a_100015188467_100011215305 [0,0,0,1,0,0|3,0,0]=4 11116 B12R1.37 OCCOCCN[C@H]1CCOC1 34a_100015188467_100000692535 [0,0,0,1,0,0|3,0,0]=4 11117 B12R1.37 OCCOCCOC1CCCC1 34a_100000210269_100000692535 [0,0,0,1,0,0|2,0,0]=3 11118 B12R1.37 OCCOCCOC1CCCC1 34a_100000738311_100000211926 [0,0,0,1,0,0|2,0,0]=3 11119 B12R1.37 OCCOCCOC1CCCC1 7a_100000210269_100011215305 [0,0,0,1,0,0|2,0,0]=3 11120 B12R1.37 OCCOCCOC1CCCC1 7a_100000738311_100000211926 [0,0,0,1,0,0|2,0,0]=3 11121 B12R1.37 OCCOCCOC1CCCO1 34a_100000085407_100000692535 [0,0,0,1,0,0|3,0,0]=4 11122 B12R1.37 OCCOCCOC1CCSC1 7a_100011232664_100011215305 [0,0,0,1,0,0|3,0,0]=4 11123 B12R1.37 OCCOCCO[C@H]1CCOC1 34a_100000717292_100000692535 [0,0,0,1,0,0|3,0,0]=4 11124 B12R1.37 OCCOCCSC1CCCC1 62a_100011215305_100000179811 [0,0,0,1,0,0|2,0,0]=3 11125 B12R1.37 OCCOCCSC1CCCC1 62a_100011217020_100011215305 [0,0,0,1,0,0|2,0,0]=3 11126 B12R1.37 OCCOCCSC1CCOC1 62a_100011215305_100000690089 [0,0,0,1,0,0|3,0,0]=4 11127 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [0,0,0,1,0,0|1,0,0]=2 11128 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [0,0,0,1,0,0|1,0,0]=2 11129 B12R1.37 OCCSCCCC1OCCO1 62a_100000211926_100000042513 [0,0,0,1,0,0|3,0,0]=4 11130 B12R1.37 OCCSCCCN1CCCC1 62a_100000211926_100011445909 [0,0,0,1,0,0|2,0,0]=3 11131 B12R1.37 OCCSCCCN1CCCC1 62a_100016991639_100000211926 [0,0,0,1,0,0|2,0,0]=3 11132 B12R1.37 OCCSCCNC1CCCC1 2230a_100011219999_100000179811 [0,0,0,1,0,0|2,0,0]=3 11133 B12R1.37 OCCSCCNC1CCCC1 270004a_100011219999_100000210133 [0,0,0,1,0,0|2,0,0]=3 11134 B12R1.37 OCCSCCNC1CCOC1 2230a_100011219999_100000731011 [0,0,0,1,0,0|3,0,0]=4 11135 B12R1.37 OCCSCCNC1CCOC1 270004a_100011219999_100000752484 [0,0,0,1,0,0|3,0,0]=4 11136 B12R1.37 OCCSCCNC1CCSC1 270004a_100011219999_100000212027 [0,0,0,1,0,0|3,0,0]=4 11137 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [0,0,0,1,0,0|2,0,0]=3 11138 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [0,0,0,1,0,0|2,0,0]=3 11139 B12R1.45 C#CCCCN1CCCC1CC 2230a_100000754278_100000731252 [0,0,0,1,0,0|2,0,1]=4 11140 B12R1.45 C#CCCCN1CCCC1CC 269982a_100000754278_100011215417 [0,0,0,1,0,0|2,0,1]=4 11141 B12R1.45 C#CCCCN1CCCC1CC 34a_100000754278_100000695029 [0,0,0,1,0,0|2,0,1]=4 11142 B12R1.45 C#CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000731252 [0,0,0,1,0,0|1,0,2]=4 11143 B12R1.45 C#CCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215417 [0,0,0,1,0,0|1,0,2]=4 11144 B12R1.45 C#CCCCN1CCC[C@@H]1CO 34a_100000745186_100000695029 [0,0,0,1,0,0|1,0,2]=4 11145 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [0,0,0,1,0,0|2,0,1]=4 11146 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [0,0,0,1,0,0|2,0,1]=4 11147 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [0,0,0,1,0,0|2,0,1]=4 11148 B12R1.45 C=CCCCN1CCC[C@@H]1CO 2230a_100000745186_100011713584 [0,0,0,1,0,0|1,0,2]=4 11149 B12R1.45 C=CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000757094 [0,0,0,1,0,0|1,0,2]=4 11150 B12R1.45 C=CCCCN1CCC[C@@H]1CO 34a_100000745186_100000757094 [0,0,0,1,0,0|1,0,2]=4 11151 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [0,0,0,1,0,0|2,0,1]=4 11152 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [0,0,0,1,0,0|2,0,1]=4 11153 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 2230a_100000745186_100103147603 [0,0,0,1,0,0|1,0,2]=4 11154 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 269982a_100000745186_100103147603 [0,0,0,1,0,0|1,0,2]=4 11155 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 34a_100000745186_100103147603 [0,0,0,1,0,0|1,0,2]=4 11156 B12R1.45 CCC#CCN1CCC[C@@H]1CO 2230a_100000745186_100009813939 [0,0,0,1,0,0|1,0,2]=4 11157 B12R1.45 CCC#CCN1CCC[C@@H]1CO 34a_100000745186_100009813939 [0,0,0,1,0,0|1,0,2]=4 11158 B12R1.45 CCC1C=CCN1CCCCO 2230a_100000730860_100000210776 [0,0,0,1,0,0|1,0,2]=4 11159 B12R1.45 CCC1C=CCN1CCCCO 269982a_100000730860_100000210776 [0,0,0,1,0,0|1,0,2]=4 11160 B12R1.45 CCC1C=CCN1CCCCO 34a_100000730860_100011216708 [0,0,0,1,0,0|1,0,2]=4 11161 B12R1.45 CCC1CCCC1=NNCCO 4a_100000210001_100000749056 [0,0,0,1,0,0|2,0,1]=4 11162 B12R1.45 CCC1CCCC1NCCC#N 270004a_100000720768_100000749056 [0,0,0,1,0,0|2,0,1]=4 11163 B12R1.45 CCC1CCCC1NCCCF 269862a_100015189416_100000749056 [0,0,0,1,0,0|2,0,0]=3 11164 B12R1.45 CCC1CCCC1NCCCF 270004a_100015189416_100000749056 [0,0,0,1,0,0|2,0,0]=3 11165 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [0,0,0,1,0,0|1,0,0]=2 11166 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [0,0,0,1,0,0|1,0,0]=2 11167 B12R1.45 CCC1CCCC1NCCOC 269862a_100000209980_100000749056 [0,0,0,1,0,0|3,0,0]=4 11168 B12R1.45 CCC1CCCC1NCCOC 270004a_100000209980_100000749056 [0,0,0,1,0,0|3,0,0]=4 11169 B12R1.45 CCC1CCCC1NCCSC 269862a_100020590264_100000749056 [0,0,0,1,0,0|3,0,0]=4 11170 B12R1.45 CCC1CCCC1NCCSC 270004a_100020590264_100000749056 [0,0,0,1,0,0|3,0,0]=4 11171 B12R1.45 CCC1CCCN1CC#CCO 2230a_100000754278_200000047223 [0,0,0,1,0,0|1,0,2]=4 11172 B12R1.45 CCC1CCCN1CC#CCO 34a_100000754278_200000047223 [0,0,0,1,0,0|1,0,2]=4 11173 B12R1.45 CCC1CCCN1CCCC#N 2230a_100000754278_100000687738 [0,0,0,1,0,0|2,0,1]=4 11174 B12R1.45 CCC1CCCN1CCCC#N 269982a_100000754278_100000687738 [0,0,0,1,0,0|2,0,1]=4 11175 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [0,0,0,1,0,0|1,0,2]=4 11176 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [0,0,0,1,0,0|1,0,2]=4 11177 B12R1.45 CCC1CCCN1CCCCF 2230a_100000754278_100000729493 [0,0,0,1,0,0|2,0,0]=3 11178 B12R1.45 CCC1CCCN1CCCCF 269982a_100000754278_100000729493 [0,0,0,1,0,0|2,0,0]=3 11179 B12R1.45 CCC1CCCN1CCCCF 34a_100000754278_100000729493 [0,0,0,1,0,0|2,0,0]=3 11180 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [0,0,0,1,0,0|1,0,0]=2 11181 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [0,0,0,1,0,0|1,0,0]=2 11182 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [0,0,0,1,0,0|1,0,0]=2 11183 B12R1.45 CCC1CCCN1CCCOC 2230a_100000754278_100000740836 [0,0,0,1,0,0|3,0,0]=4 11184 B12R1.45 CCC1CCCN1CCCOC 269982a_100000754278_100000740836 [0,0,0,1,0,0|3,0,0]=4 11185 B12R1.45 CCC1CCCN1CCCOC 34a_100000754278_100000740836 [0,0,0,1,0,0|3,0,0]=4 11186 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [0,0,0,1,0,0|2,0,0]=3 11187 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [0,0,0,1,0,0|2,0,0]=3 11188 B12R1.45 CCCCCN1CCCC1C#N 2230a_100000701862_100000210326 [0,0,0,1,0,0|2,0,1]=4 11189 B12R1.45 CCCCCN1CCCC1CC 2230a_100000754278_100000210326 [0,0,0,1,0,0|2,0,0]=3 11190 B12R1.45 CCCCCN1CCCC1CC 269982a_100000754278_100000210215 [0,0,0,1,0,0|2,0,0]=3 11191 B12R1.45 CCCCCN1CCCC1CC 34a_100000754278_100000718602 [0,0,0,1,0,0|2,0,0]=3 11192 B12R1.45 CCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210326 [0,0,0,1,0,0|2,0,1]=4 11193 B12R1.45 CCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210215 [0,0,0,1,0,0|2,0,1]=4 11194 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [0,0,0,1,0,0|1,0,0]=2 11195 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [0,0,0,1,0,0|1,0,0]=2 11196 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [0,0,0,1,0,0|1,0,0]=2 11197 B12R1.45 CCCCNC1CCCC1CC 269862a_100000102301_100000749056 [0,0,0,1,0,0|2,0,0]=3 11198 B12R1.45 CCCCNC1CCCC1CC 270004a_100000102301_100000749056 [0,0,0,1,0,0|2,0,0]=3 11199 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210210 [0,0,0,1,0,0|2,0,1]=4 11200 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210211 [0,0,0,1,0,0|2,0,1]=4 11201 B12R1.45 CCCNCC1CCCN1CC 2230a_100000211693_100000210303 [0,0,0,1,0,0|3,0,0]=4 11202 B12R1.45 CCCOC[C@H]1CCCN1CC 34a_100011739246_100000210303 [0,0,0,1,0,0|3,0,0]=4 11203 B12R1.45 CCCOC[C@H]1CCCN1CC 7a_100011739246_100000210303 [0,0,0,1,0,0|3,0,0]=4 11204 B12R1.45 CCN1CCCC1CNCCF 2230a_100000211693_100011217306 [0,0,0,1,0,0|3,0,0]=4 11205 B12R1.45 CCN1CCCC1CNCCO 2230a_100000211693_100000211926 [0,0,0,1,0,0|2,0,0]=3 11206 B12R1.45 CCN1CCC[C@@H]1COCCF 34a_100011739246_100011217306 [0,0,0,1,0,0|3,0,0]=4 11207 B12R1.45 CCN1CCC[C@@H]1COCCF 7a_100011739246_100011217306 [0,0,0,1,0,0|3,0,0]=4 11208 B12R1.45 CCN1CCC[C@@H]1COCCO 34a_100011739246_100000211926 [0,0,0,1,0,0|2,0,0]=3 11209 B12R1.45 CCN1CCC[C@@H]1COCCO 7a_100011739246_100000211926 [0,0,0,1,0,0|2,0,0]=3 11210 B12R1.45 CCOCCN1CCCC1CC 2230a_100000754278_100011215890 [0,0,0,1,0,0|3,0,0]=4 11211 B12R1.45 CCOCCN1CCCC1CC 269982a_100000754278_100011215890 [0,0,0,1,0,0|3,0,0]=4 11212 B12R1.45 CCOCCN1CCCC1CC 34a_100000754278_100000210147 [0,0,0,1,0,0|3,0,0]=4 11213 B12R1.45 CCOCCN1CCC[C@@H]1CO 2230a_100000745186_100011215890 [0,0,0,1,0,0|2,0,0]=3 11214 B12R1.45 CCOCCN1CCC[C@@H]1CO 269982a_100000745186_100011215890 [0,0,0,1,0,0|2,0,0]=3 11215 B12R1.45 CCOCCN1CCC[C@@H]1CO 34a_100000745186_100000210147 [0,0,0,1,0,0|2,0,0]=3 11216 B12R1.45 CCSCCN1CCCC1CC 2230a_100000754278_100000757381 [0,0,0,1,0,0|3,0,0]=4 11217 B12R1.45 CCSCCN1CCCC1CC 269982a_100000754278_100000757381 [0,0,0,1,0,0|3,0,0]=4 11218 B12R1.45 CCSCCN1CCCC1CC 34a_100000754278_100000757381 [0,0,0,1,0,0|3,0,0]=4 11219 B12R1.45 CCSCCN1CCC[C@@H]1CO 2230a_100000745186_100000757381 [0,0,0,1,0,0|2,0,0]=3 11220 B12R1.45 CCSCCN1CCC[C@@H]1CO 269982a_100000745186_100000757381 [0,0,0,1,0,0|2,0,0]=3 11221 B12R1.45 CCSCCN1CCC[C@@H]1CO 34a_100000745186_100000757381 [0,0,0,1,0,0|2,0,0]=3 11222 B12R1.45 COCCCN1CCC[C@@H]1CO 2230a_100000745186_100000740836 [0,0,0,1,0,0|2,0,0]=3 11223 B12R1.45 COCCCN1CCC[C@@H]1CO 269982a_100000745186_100000740836 [0,0,0,1,0,0|2,0,0]=3 11224 B12R1.45 COCCCN1CCC[C@@H]1CO 34a_100000745186_100000740836 [0,0,0,1,0,0|2,0,0]=3 11225 B12R1.45 N#CC1CCCN1CCCCO 2230a_100000701862_100000210776 [0,0,0,1,0,0|2,0,1]=4 11226 B12R1.45 N#CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000687738 [0,0,0,1,0,0|2,0,1]=4 11227 B12R1.45 N#CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000687738 [0,0,0,1,0,0|2,0,1]=4 11228 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 34a_100011907464_100000230001 [0,0,0,1,0,0|2,0,1]=4 11229 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 7a_100011907464_100011215043 [0,0,0,1,0,0|2,0,1]=4 11230 B12R1.45 N#C[C@H]1CCCN1CCCCO 2230a_106645074975_100000210776 [0,0,0,1,0,0|2,0,1]=4 11231 B12R1.45 N#C[C@H]1CCCN1CCCCO 269982a_106645074975_100000210776 [0,0,0,1,0,0|2,0,1]=4 11232 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [0,0,0,1,0,0|2,0,1]=4 11233 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [0,0,0,1,0,0|2,0,1]=4 11234 B12R1.45 OCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210776 [0,0,0,1,0,0|2,0,0]=3 11235 B12R1.45 OCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210776 [0,0,0,1,0,0|2,0,0]=3 11236 B12R1.45 OCCCCN1CCC[C@@H]1CO 34a_100000745186_100011216708 [0,0,0,1,0,0|2,0,0]=3 11237 B12R1.45 OC[C@H]1CCCN1CCCCF 2230a_100000745186_100000729493 [0,0,0,1,0,0|2,0,0]=3 11238 B12R1.45 OC[C@H]1CCCN1CCCCF 269982a_100000745186_100000729493 [0,0,0,1,0,0|2,0,0]=3 11239 B12R1.45 OC[C@H]1CCCN1CCCCF 34a_100000745186_100000729493 [0,0,0,1,0,0|2,0,0]=3 11240 B12R1.121 C#CC1CCCCN1CCCC 2230a_200020621307_100000210211 [0,0,0,1,0,0|2,0,1]=4 11241 B12R1.121 C#CC1CCCCN1CCCC 269982a_200020621307_100000210211 [0,0,0,1,0,0|2,0,1]=4 11242 B12R1.121 C#CC1CCCCN1CCCC 34a_200020621307_100000210210 [0,0,0,1,0,0|2,0,1]=4 11243 B12R1.121 C#CC1CCCCN1CCCO 2230a_200020621307_100000230001 [0,0,0,1,0,0|1,0,2]=4 11244 B12R1.121 C#CC1CCCCN1CCCO 269982a_200020621307_100011215043 [0,0,0,1,0,0|1,0,2]=4 11245 B12R1.121 C#CC1CCCCN1CCCO 34a_200020621307_100000230001 [0,0,0,1,0,0|1,0,2]=4 11246 B12R1.121 C#CCCN1CCCCC1CC 2230a_100000210034_100000688953 [0,0,0,1,0,0|2,0,1]=4 11247 B12R1.121 C#CCCN1CCCCC1CC 269982a_100000210034_100000730999 [0,0,0,1,0,0|2,0,1]=4 11248 B12R1.121 C#CCCN1CCCCC1CC 34a_100000210034_100000688953 [0,0,0,1,0,0|2,0,1]=4 11249 B12R1.121 C#CCCN1CCCCC1CO 2230a_100000210821_100000688953 [0,0,0,1,0,0|1,0,2]=4 11250 B12R1.121 C#CCCN1CCCCC1CO 269982a_100000210821_100000730999 [0,0,0,1,0,0|1,0,2]=4 11251 B12R1.121 C#CCCN1CCCCC1CO 34a_100000210821_100000688953 [0,0,0,1,0,0|1,0,2]=4 11252 B12R1.121 C#CCOC1CCCCC1CC 34a_100000210738_100000184674 [0,0,0,1,0,0|2,0,1]=4 11253 B12R1.121 C#CCOC1CCCCC1CC 7a_100000210738_100000038162 [0,0,0,1,0,0|2,0,1]=4 11254 B12R1.121 C/C=C/CN1CCCCC1CO 269982a_100000210821_100102629194 [0,0,0,1,0,0|1,0,2]=4 11255 B12R1.121 C/C=C/CN1CCCCC1CO 34a_100000210821_100102629194 [0,0,0,1,0,0|1,0,2]=4 11256 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [0,0,0,1,0,0|2,0,1]=4 11257 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [0,0,0,1,0,0|2,0,1]=4 11258 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [0,0,0,1,0,0|2,0,1]=4 11259 B12R1.121 C=CCCN1CCCCC1CO 2230a_100000210821_100000754431 [0,0,0,1,0,0|1,0,2]=4 11260 B12R1.121 C=CCCN1CCCCC1CO 269982a_100000210821_100000754431 [0,0,0,1,0,0|1,0,2]=4 11261 B12R1.121 C=CCCN1CCCCC1CO 34a_100000210821_100000754431 [0,0,0,1,0,0|1,0,2]=4 11262 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [0,0,0,1,0,0|2,0,1]=4 11263 B12R1.121 C=CCNC1CCCCC1CO 270004a_100020586998_100009861125 [0,0,0,1,0,0|1,0,2]=4 11264 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,0,0,1,0,0|2,0,1]=4 11265 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,0,0,1,0,0|2,0,1]=4 11266 B12R1.121 CC#CCN1CCCCC1CO 2230a_100000210821_100000748600 [0,0,0,1,0,0|1,0,2]=4 11267 B12R1.121 CC#CCN1CCCCC1CO 34a_100000210821_100000748600 [0,0,0,1,0,0|1,0,2]=4 11268 B12R1.121 CC=CCN1CCCCC1CO 2230a_100000210821_100000070051 [0,0,0,1,0,0|1,0,2]=4 11269 B12R1.121 CC=CCN1CCCCC1CO 34a_100000210821_100000070051 [0,0,0,1,0,0|1,0,2]=4 11270 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [0,0,0,1,0,0|2,0,0]=3 11271 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [0,0,0,1,0,0|1,0,0]=2 11272 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [0,0,0,1,0,0|1,0,0]=2 11273 B12R1.121 CCC1CCCCC1OCC#N 7a_100000210738_100011215382 [0,0,0,1,0,0|2,0,1]=4 11274 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [0,0,0,1,0,0|1,0,2]=4 11275 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [0,0,0,1,0,0|1,0,2]=4 11276 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [0,0,0,1,0,0|2,0,0]=3 11277 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [0,0,0,1,0,0|2,0,0]=3 11278 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [0,0,0,1,0,0|1,0,0]=2 11279 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [0,0,0,1,0,0|1,0,0]=2 11280 B12R1.121 CCC1CCCCC1OCSC 34a_100000210738_100011218213 [0,0,0,1,0,0|3,0,0]=4 11281 B12R1.121 CCC1CCCCN1CCC#N 2230a_100000210034_100011215226 [0,0,0,1,0,0|2,0,1]=4 11282 B12R1.121 CCC1CCCCN1CCC#N 269982a_100000210034_100011215226 [0,0,0,1,0,0|2,0,1]=4 11283 B12R1.121 CCC1CCCCN1CCCF 2230a_100000210034_100011934791 [0,0,0,1,0,0|2,0,0]=3 11284 B12R1.121 CCC1CCCCN1CCCF 269982a_100000210034_100011934791 [0,0,0,1,0,0|2,0,0]=3 11285 B12R1.121 CCC1CCCCN1CCCF 34a_100000210034_100011934791 [0,0,0,1,0,0|2,0,0]=3 11286 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [0,0,0,1,0,0|1,0,0]=2 11287 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [0,0,0,1,0,0|1,0,0]=2 11288 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [0,0,0,1,0,0|1,0,0]=2 11289 B12R1.121 CCC1CCCCN1CCNC 2230a_100000755458_200000210301 [0,0,0,1,0,0|3,0,0]=4 11290 B12R1.121 CCC1CCCCN1CCNC 34a_100000755458_200000210301 [0,0,0,1,0,0|3,0,0]=4 11291 B12R1.121 CCC1CCCCN1CCN[13CH3] 2230a_100000755458_200025704644 [0,0,0,1,0,0|3,0,0]=4 11292 B12R1.121 CCC1CCCCN1CCN[13CH3] 34a_100000755458_200025704644 [0,0,0,1,0,0|3,0,0]=4 11293 B12R1.121 CCC1CCCCN1CCOC 2230a_100000210034_100011201679 [0,0,0,1,0,0|3,0,0]=4 11294 B12R1.121 CCC1CCCCN1CCOC 269982a_100000210034_100000233755 [0,0,0,1,0,0|3,0,0]=4 11295 B12R1.121 CCC1CCCCN1CCOC 34a_100000210034_100011201679 [0,0,0,1,0,0|3,0,0]=4 11296 B12R1.121 CCC1CCCCN1CCSC 2230a_100000210034_100000751147 [0,0,0,1,0,0|3,0,0]=4 11297 B12R1.121 CCC1CCCCN1CCSC 269982a_100000210034_100000212216 [0,0,0,1,0,0|3,0,0]=4 11298 B12R1.121 CCC1CCCCN1CCSC 34a_100000210034_100000212216 [0,0,0,1,0,0|3,0,0]=4 11299 B12R1.121 CCCCN1CCCCC1C#N 34a_100016989756_100000210210 [0,0,0,1,0,0|2,0,1]=4 11300 B12R1.121 CCCCN1CCCCC1CC 2230a_100000210034_100000210211 [0,0,0,1,0,0|2,0,0]=3 11301 B12R1.121 CCCCN1CCCCC1CC 269982a_100000210034_100000210211 [0,0,0,1,0,0|2,0,0]=3 11302 B12R1.121 CCCCN1CCCCC1CC 34a_100000210034_100000210210 [0,0,0,1,0,0|2,0,0]=3 11303 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [0,0,0,1,0,0|1,0,0]=2 11304 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [0,0,0,1,0,0|1,0,0]=2 11305 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [0,0,0,1,0,0|1,0,0]=2 11306 B12R1.121 CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210211 [0,0,0,1,0,0|3,0,0]=4 11307 B12R1.121 CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210211 [0,0,0,1,0,0|3,0,0]=4 11308 B12R1.121 CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000210210 [0,0,0,1,0,0|3,0,0]=4 11309 B12R1.121 CCCCN1CCOC[C@H]1CO 2230a_100000717676_100000210211 [0,0,0,1,0,0|2,0,0]=3 11310 B12R1.121 CCCCN1CCOC[C@H]1CO 269982a_100000717676_100000210211 [0,0,0,1,0,0|2,0,0]=3 11311 B12R1.121 CCCCN1CCOC[C@H]1CO 34a_100000717676_100000210210 [0,0,0,1,0,0|2,0,0]=3 11312 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [0,0,0,1,0,0|2,0,0]=3 11313 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [0,0,0,1,0,0|2,0,0]=3 11314 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [0,0,0,1,0,0|1,0,0]=2 11315 B12R1.121 CCCNC1CCCCC1OC 270004a_100020643023_100000740605 [0,0,0,1,0,0|3,0,0]=4 11316 B12R1.121 CCCNC1CCCCC1OC 34a_100011208099_100000210303 [0,0,0,1,0,0|3,0,0]=4 11317 B12R1.121 CCCNC1CCOCC1CO 2230a_214813039666_100000210303 [0,0,0,1,0,0|2,0,0]=3 11318 B12R1.121 CCCNC1CCOCC1CO 34a_214813039666_100000210303 [0,0,0,1,0,0|2,0,0]=3 11319 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [0,0,0,1,0,0|2,0,0]=3 11320 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [0,0,0,1,0,0|2,0,0]=3 11321 B12R1.121 CCCOC1CCCCC1CN 34a_100011216029_100000210303 [0,0,0,1,0,0|2,0,0]=3 11322 B12R1.121 CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210303 [0,0,0,1,0,0|3,0,0]=4 11323 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210303 [0,0,0,1,0,0|3,0,0]=4 11324 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210303 [0,0,0,1,0,0|3,0,0]=4 11325 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [0,0,0,1,0,0|1,0,0]=2 11326 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [0,0,0,1,0,0|1,0,0]=2 11327 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [0,0,0,1,0,0|1,0,0]=2 11328 B12R1.121 CCN1CCCCC1CCOC 2230a_100015186528_100000210202 [0,0,0,1,0,0|3,0,0]=4 11329 B12R1.121 CCN1CCCCC1CCOC 269982a_100015186528_100000204670 [0,0,0,1,0,0|3,0,0]=4 11330 B12R1.121 CCN1CCCCC1CCOC 34a_100015186528_100000210202 [0,0,0,1,0,0|3,0,0]=4 11331 B12R1.121 CCN1CCCCC1CNCF 34a_100000754393_100015361967 [0,0,0,1,0,0|3,0,0]=4 11332 B12R1.121 CCN1CCCCC1COCF 34a_100000225091_100015361967 [0,0,0,1,0,0|3,0,0]=4 11333 B12R1.121 CCN1CCCCC1COCF 7a_100000225091_100015361967 [0,0,0,1,0,0|3,0,0]=4 11334 B12R1.121 CCNCC1CCCCN1CC 2230a_100000754393_100000210202 [0,0,0,1,0,0|3,0,0]=4 11335 B12R1.121 CCNCC1CCCCN1CC 34a_100000754393_100000210202 [0,0,0,1,0,0|3,0,0]=4 11336 B12R1.121 CCNN=C1CCCCC1CO 4a_100000756455_100009861125 [0,0,0,1,0,0|2,0,1]=4 11337 B12R1.121 CCOCC1CCCCN1CC 34a_100000225091_100000210202 [0,0,0,1,0,0|3,0,0]=4 11338 B12R1.121 CCOCC1CCCCN1CC 7a_100000225091_100000210202 [0,0,0,1,0,0|3,0,0]=4 11339 B12R1.121 CCOCN1CCCCC1CC 269982a_100000210034_100000739092 [0,0,0,1,0,0|3,0,0]=4 11340 B12R1.121 CCOCN1CCCCC1CO 269982a_100000210821_100000739092 [0,0,0,1,0,0|2,0,0]=3 11341 B12R1.121 CCOCN1CCOC[C@H]1CO 269982a_100000717676_100000739092 [0,0,0,1,0,0|3,0,0]=4 11342 B12R1.121 CC[C@H]1COCCN1CCCF 2230a_100016988097_100011934791 [0,0,0,1,0,0|3,0,0]=4 11343 B12R1.121 CC[C@H]1COCCN1CCCF 269982a_100016988097_100011934791 [0,0,0,1,0,0|3,0,0]=4 11344 B12R1.121 CC[C@H]1COCCN1CCCF 34a_100016988097_100011934791 [0,0,0,1,0,0|3,0,0]=4 11345 B12R1.121 CC[C@H]1COCCN1CCCO 2230a_100016988097_100000230001 [0,0,0,1,0,0|2,0,0]=3 11346 B12R1.121 CC[C@H]1COCCN1CCCO 269982a_100016988097_100011215043 [0,0,0,1,0,0|2,0,0]=3 11347 B12R1.121 CC[C@H]1COCCN1CCCO 34a_100016988097_100000230001 [0,0,0,1,0,0|2,0,0]=3 11348 B12R1.121 CNC1CCCCC1CCC#N 270004a_106832991635_100000034616 [0,0,0,1,0,0|2,0,1]=4 11349 B12R1.121 CNCCN1CCCCC1CO 2230a_100011473795_200000210301 [0,0,0,1,0,0|2,0,0]=3 11350 B12R1.121 CNCCN1CCCCC1CO 34a_100011473795_200000210301 [0,0,0,1,0,0|2,0,0]=3 11351 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCF 34a_100000708425_100011217306 [0,0,0,1,0,0|3,0,0]=4 11352 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCO 34a_100000708425_100000211926 [0,0,0,1,0,0|2,0,0]=3 11353 B12R1.121 COC1CCCCC1NCCF 34a_100011208099_100011217306 [0,0,0,1,0,0|3,0,0]=4 11354 B12R1.121 COC1CCCCC1NCCO 270004a_100000210304_100000740605 [0,0,0,1,0,0|2,0,0]=3 11355 B12R1.121 COC1CCCCC1NCCO 34a_100011208099_100000211926 [0,0,0,1,0,0|2,0,0]=3 11356 B12R1.121 COC1COCCC1NCCO 270004a_100000210304_100000095984 [0,0,0,1,0,0|3,0,0]=4 11357 B12R1.121 COCCC1CCCCN1CF 269982a_100015186528_100015361967 [0,0,0,1,0,0|3,0,0]=4 11358 B12R1.121 COCCC1CCCCN1CF 34a_100015186528_100015361967 [0,0,0,1,0,0|3,0,0]=4 11359 B12R1.121 COCCN1CCCCC1CO 2230a_100000210821_100011201679 [0,0,0,1,0,0|2,0,0]=3 11360 B12R1.121 COCCN1CCCCC1CO 269982a_100000210821_100000233755 [0,0,0,1,0,0|2,0,0]=3 11361 B12R1.121 COCCN1CCCCC1CO 34a_100000210821_100011201679 [0,0,0,1,0,0|2,0,0]=3 11362 B12R1.121 COCCN1CCOC[C@H]1CO 2230a_100000717676_100011201679 [0,0,0,1,0,0|3,0,0]=4 11363 B12R1.121 COCCN1CCOC[C@H]1CO 269982a_100000717676_100000233755 [0,0,0,1,0,0|3,0,0]=4 11364 B12R1.121 COCCN1CCOC[C@H]1CO 34a_100000717676_100011201679 [0,0,0,1,0,0|3,0,0]=4 11365 B12R1.121 COCNC1CCOCC1CO 2230a_214813039666_100000766300 [0,0,0,1,0,0|3,0,0]=4 11366 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCF 34a_200009815850_100011217306 [0,0,0,1,0,0|3,0,0]=4 11367 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCF 7a_200009815850_100011217306 [0,0,0,1,0,0|3,0,0]=4 11368 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 34a_200009815850_100000211926 [0,0,0,1,0,0|2,0,0]=3 11369 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 7a_200009815850_100000211926 [0,0,0,1,0,0|2,0,0]=3 11370 B12R1.121 CSCCN1CCCCC1CO 2230a_100000210821_100000751147 [0,0,0,1,0,0|2,0,0]=3 11371 B12R1.121 CSCCN1CCCCC1CO 269982a_100000210821_100000212216 [0,0,0,1,0,0|2,0,0]=3 11372 B12R1.121 CSCCN1CCCCC1CO 34a_100000210821_100000212216 [0,0,0,1,0,0|2,0,0]=3 11373 B12R1.121 CSCCN1CCOC[C@H]1CO 2230a_100000717676_100000751147 [0,0,0,1,0,0|3,0,0]=4 11374 B12R1.121 CSCCN1CCOC[C@H]1CO 269982a_100000717676_100000212216 [0,0,0,1,0,0|3,0,0]=4 11375 B12R1.121 CSCCN1CCOC[C@H]1CO 34a_100000717676_100000212216 [0,0,0,1,0,0|3,0,0]=4 11376 B12R1.121 CSCNC1CCOCC1CO 2230a_214813039666_100011218213 [0,0,0,1,0,0|3,0,0]=4 11377 B12R1.121 CSCNC1CCOCC1CO 34a_214813039666_100011218213 [0,0,0,1,0,0|3,0,0]=4 11378 B12R1.121 CSCOC1CCCCC1CN 34a_100011216029_100011218213 [0,0,0,1,0,0|3,0,0]=4 11379 B12R1.121 N#CC1CCCCN1CCCO 34a_100016989756_100000230001 [0,0,0,1,0,0|2,0,1]=4 11380 B12R1.121 N#CCCN1CCCCC1CO 2230a_100000210821_100011215226 [0,0,0,1,0,0|2,0,1]=4 11381 B12R1.121 N#CCCN1CCCCC1CO 269982a_100000210821_100011215226 [0,0,0,1,0,0|2,0,1]=4 11382 B12R1.121 NCC1CCCCC1OCCF 34a_100011216029_100011217306 [0,0,0,1,0,0|3,0,0]=4 11383 B12R1.121 NCC1CCCCC1OCCO 34a_100011216029_100000211926 [0,0,0,1,0,0|2,0,0]=3 11384 B12R1.121 OCC1CCCCN1CCCF 2230a_100000210821_100011934791 [0,0,0,1,0,0|2,0,0]=3 11385 B12R1.121 OCC1CCCCN1CCCF 269982a_100000210821_100011934791 [0,0,0,1,0,0|2,0,0]=3 11386 B12R1.121 OCC1CCCCN1CCCF 34a_100000210821_100011934791 [0,0,0,1,0,0|2,0,0]=3 11387 B12R1.121 OCC1COCCC1NCCF 2230a_214813039666_100011217306 [0,0,0,1,0,0|3,0,0]=4 11388 B12R1.121 OCC1COCCC1NCCF 34a_214813039666_100011217306 [0,0,0,1,0,0|3,0,0]=4 11389 B12R1.121 OCCCC1CCCCN1CF 269982a_100011934581_100015361967 [0,0,0,1,0,0|2,0,0]=3 11390 B12R1.121 OCCCC1CCCCN1CF 34a_100011934581_100015361967 [0,0,0,1,0,0|2,0,0]=3 11391 B12R1.121 OCCCN1CCCCC1CO 2230a_100000210821_100000230001 [0,0,0,1,0,0|2,0,0]=3 11392 B12R1.121 OCCCN1CCCCC1CO 269982a_100000210821_100011215043 [0,0,0,1,0,0|2,0,0]=3 11393 B12R1.121 OCCCN1CCCCC1CO 34a_100000210821_100000230001 [0,0,0,1,0,0|2,0,0]=3 11394 B12R1.121 OCCCN1CCOC[C@H]1CO 2230a_100000717676_100000230001 [0,0,0,1,0,0|3,0,0]=4 11395 B12R1.121 OCCCN1CCOC[C@H]1CO 269982a_100000717676_100011215043 [0,0,0,1,0,0|3,0,0]=4 11396 B12R1.121 OCCCN1CCOC[C@H]1CO 34a_100000717676_100000230001 [0,0,0,1,0,0|3,0,0]=4 11397 B12R1.121 OCCNC1CCCCC1CO 270004a_100000210304_100009861125 [0,0,0,1,0,0|2,0,0]=3 11398 B12R1.121 OCCNC1CCOCC1CO 2230a_214813039666_100000211926 [0,0,0,1,0,0|3,0,0]=4 11399 B12R1.121 OCCNC1CCOCC1CO 34a_214813039666_100000211926 [0,0,0,1,0,0|3,0,0]=4 11400 B12R1.121 OC[C@@H]1COCCN1CCCF 2230a_100000717676_100011934791 [0,0,0,1,0,0|3,0,0]=4 11401 B12R1.121 OC[C@@H]1COCCN1CCCF 269982a_100000717676_100011934791 [0,0,0,1,0,0|3,0,0]=4 11402 B12R1.121 OC[C@@H]1COCCN1CCCF 34a_100000717676_100011934791 [0,0,0,1,0,0|3,0,0]=4 11403 B12R1.121 [13CH3]NCCN1CCCCC1CO 2230a_100011473795_200025704644 [0,0,0,1,0,0|2,0,0]=3 11404 B12R1.121 [13CH3]NCCN1CCCCC1CO 34a_100011473795_200025704644 [0,0,0,1,0,0|2,0,0]=3 11405 B12R1.169 C#CCN1CCCCC1CCC 2230a_100000701414_100000038162 [0,0,0,1,0,0|2,0,1]=4 11406 B12R1.169 C#CCN1CCCCC1CCC 34a_100000701414_100000184674 [0,0,0,1,0,0|2,0,1]=4 11407 B12R1.169 C#CCN1CCCCC1CCO 2230a_100000211664_100000038162 [0,0,0,1,0,0|1,0,2]=4 11408 B12R1.169 C#CCN1CCCCC1CCO 34a_100000211664_100000184674 [0,0,0,1,0,0|1,0,2]=4 11409 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [0,0,0,1,0,0|2,0,1]=4 11410 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [0,0,0,1,0,0|2,0,1]=4 11411 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [0,0,0,1,0,0|2,0,1]=4 11412 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [0,0,0,1,0,0|2,0,1]=4 11413 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [0,0,0,1,0,0|2,0,1]=4 11414 B12R1.169 C=CCN1CCCCC1CCO 2230a_100000211664_100000210623 [0,0,0,1,0,0|1,0,2]=4 11415 B12R1.169 C=CCN1CCCCC1CCO 269982a_100000211664_100000210623 [0,0,0,1,0,0|1,0,2]=4 11416 B12R1.169 C=CCN1CCCCC1CCO 34a_100000211664_100015514636 [0,0,0,1,0,0|1,0,2]=4 11417 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [0,0,0,1,0,0|2,0,0]=3 11418 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [0,0,0,1,0,0|2,0,0]=3 11419 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [0,0,0,1,0,0|2,0,0]=3 11420 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [0,0,0,1,0,0|2,0,0]=3 11421 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [0,0,0,1,0,0|2,0,0]=3 11422 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [0,0,0,1,0,0|2,0,0]=3 11423 B12R1.169 CCCC1CCCCN1CC#N 2230a_100000701414_100011215382 [0,0,0,1,0,0|2,0,1]=4 11424 B12R1.169 CCCC1CCCCN1CC#N 269982a_100000701414_100011214920 [0,0,0,1,0,0|2,0,1]=4 11425 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [0,0,0,1,0,0|1,0,2]=4 11426 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [0,0,0,1,0,0|1,0,2]=4 11427 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [0,0,0,1,0,0|1,0,2]=4 11428 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [0,0,0,1,0,0|2,0,0]=3 11429 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [0,0,0,1,0,0|2,0,0]=3 11430 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [0,0,0,1,0,0|2,0,0]=3 11431 B12R1.169 CCCC1CCCCN1CCF 2230a_100000701414_100011217306 [0,0,0,1,0,0|2,0,0]=3 11432 B12R1.169 CCCC1CCCCN1CCF 269982a_100000701414_100011217306 [0,0,0,1,0,0|2,0,0]=3 11433 B12R1.169 CCCC1CCCCN1CCF 34a_100000701414_100011217306 [0,0,0,1,0,0|2,0,0]=3 11434 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [0,0,0,1,0,0|1,0,0]=2 11435 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [0,0,0,1,0,0|1,0,0]=2 11436 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [0,0,0,1,0,0|1,0,0]=2 11437 B12R1.169 CCCC1CCCCN1COC 2230a_100000701414_100000766300 [0,0,0,1,0,0|3,0,0]=4 11438 B12R1.169 CCCC1CCCCN1COC 269982a_100000701414_100000766300 [0,0,0,1,0,0|3,0,0]=4 11439 B12R1.169 CCCC1CCCCN1CSC 2230a_100000701414_100011218213 [0,0,0,1,0,0|3,0,0]=4 11440 B12R1.169 CCCC1CCCCN1CSC 269982a_100000701414_100011218213 [0,0,0,1,0,0|3,0,0]=4 11441 B12R1.169 CCCC1CCCCN1CSC 34a_100000701414_100011218213 [0,0,0,1,0,0|3,0,0]=4 11442 B12R1.169 CCCC1COCCN1CCC 2230a_102495339903_100000210303 [0,0,0,1,0,0|3,0,0]=4 11443 B12R1.169 CCCC1COCCN1CCC 269982a_102495339903_100000210303 [0,0,0,1,0,0|3,0,0]=4 11444 B12R1.169 CCCC1COCCN1CCC 34a_102495339903_100000210303 [0,0,0,1,0,0|3,0,0]=4 11445 B12R1.169 CCCC1COCCN1CCF 2230a_102495339903_100011217306 [0,0,0,1,0,0|3,0,0]=4 11446 B12R1.169 CCCC1COCCN1CCF 269982a_102495339903_100011217306 [0,0,0,1,0,0|3,0,0]=4 11447 B12R1.169 CCCC1COCCN1CCF 34a_102495339903_100011217306 [0,0,0,1,0,0|3,0,0]=4 11448 B12R1.169 CCCC1COCCN1CCO 2230a_102495339903_100000211926 [0,0,0,1,0,0|2,0,0]=3 11449 B12R1.169 CCCC1COCCN1CCO 269982a_102495339903_100000211926 [0,0,0,1,0,0|2,0,0]=3 11450 B12R1.169 CCCC1COCCN1CCO 34a_102495339903_100000211926 [0,0,0,1,0,0|2,0,0]=3 11451 B12R1.169 CCCN1CCCCC1CC#N 2230a_100000133382_100000210303 [0,0,0,1,0,0|2,0,1]=4 11452 B12R1.169 CCCN1CCCCC1CC#N 34a_100000133382_100000210303 [0,0,0,1,0,0|2,0,1]=4 11453 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [0,0,0,1,0,0|1,0,0]=2 11454 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [0,0,0,1,0,0|1,0,0]=2 11455 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [0,0,0,1,0,0|1,0,0]=2 11456 B12R1.169 CCCN1CCCCC1COC 2230a_100015184032_100000210303 [0,0,0,1,0,0|3,0,0]=4 11457 B12R1.169 CCCN1CCCCC1COC 269982a_100015184032_100000210303 [0,0,0,1,0,0|3,0,0]=4 11458 B12R1.169 CCCN1CCCCC1COC 34a_100015184032_100000210303 [0,0,0,1,0,0|3,0,0]=4 11459 B12R1.169 CCNC1CCCCC1CC#N 270004a_100015525214_100009866218 [0,0,0,1,0,0|2,0,1]=4 11460 B12R1.169 CCNC1CCCCC1OCC 270004a_100015525214_200000031474 [0,0,0,1,0,0|3,0,0]=4 11461 B12R1.169 COCC1CCCCN1CCF 2230a_100015184032_100011217306 [0,0,0,1,0,0|3,0,0]=4 11462 B12R1.169 COCC1CCCCN1CCF 269982a_100015184032_100011217306 [0,0,0,1,0,0|3,0,0]=4 11463 B12R1.169 COCC1CCCCN1CCF 34a_100015184032_100011217306 [0,0,0,1,0,0|3,0,0]=4 11464 B12R1.169 COCC1CCCCN1CCN 34a_100011473795_200000210301 [0,0,0,1,0,0|3,0,0]=4 11465 B12R1.169 COCC1CCCCN1CCO 2230a_100015184032_100000211926 [0,0,0,1,0,0|2,0,0]=3 11466 B12R1.169 COCC1CCCCN1CCO 269982a_100015184032_100000211926 [0,0,0,1,0,0|2,0,0]=3 11467 B12R1.169 COCC1CCCCN1CCO 34a_100015184032_100000211926 [0,0,0,1,0,0|2,0,0]=3 11468 B12R1.169 COCN1CCCCC1CCO 2230a_100000211664_100000766300 [0,0,0,1,0,0|2,0,0]=3 11469 B12R1.169 COCN1CCCCC1CCO 269982a_100000211664_100000766300 [0,0,0,1,0,0|2,0,0]=3 11470 B12R1.169 COC[C@H]1COCCN1CCO 2230a_100016989928_100000211926 [0,0,0,1,0,0|3,0,0]=4 11471 B12R1.169 COC[C@H]1COCCN1CCO 269982a_100016989928_100000211926 [0,0,0,1,0,0|3,0,0]=4 11472 B12R1.169 COC[C@H]1COCCN1CCO 34a_100016989928_100000211926 [0,0,0,1,0,0|3,0,0]=4 11473 B12R1.169 CSCN1CCCCC1CCO 2230a_100000211664_100011218213 [0,0,0,1,0,0|2,0,0]=3 11474 B12R1.169 CSCN1CCCCC1CCO 269982a_100000211664_100011218213 [0,0,0,1,0,0|2,0,0]=3 11475 B12R1.169 CSCN1CCCCC1CCO 34a_100000211664_100011218213 [0,0,0,1,0,0|2,0,0]=3 11476 B12R1.169 N#CCC1CCCCN1CCO 2230a_100000133382_100000211926 [0,0,0,1,0,0|2,0,1]=4 11477 B12R1.169 N#CCC1CCCCN1CCO 34a_100000133382_100000211926 [0,0,0,1,0,0|2,0,1]=4 11478 B12R1.169 N#CCN1CCCCC1CCO 2230a_100000211664_100011215382 [0,0,0,1,0,0|2,0,1]=4 11479 B12R1.169 N#CCN1CCCCC1CCO 269982a_100000211664_100011214920 [0,0,0,1,0,0|2,0,1]=4 11480 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [0,0,0,1,0,0|2,0,1]=4 11481 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [0,0,0,1,0,0|2,0,1]=4 11482 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [0,0,0,1,0,0|2,0,1]=4 11483 B12R1.169 OCCC1CCCCN1CCF 2230a_100000211664_100011217306 [0,0,0,1,0,0|2,0,0]=3 11484 B12R1.169 OCCC1CCCCN1CCF 269982a_100000211664_100011217306 [0,0,0,1,0,0|2,0,0]=3 11485 B12R1.169 OCCC1CCCCN1CCF 34a_100000211664_100011217306 [0,0,0,1,0,0|2,0,0]=3 11486 B12R1.169 OCCC1CCCCN1CCO 2230a_100000211664_100000211926 [0,0,0,1,0,0|2,0,0]=3 11487 B12R1.169 OCCC1CCCCN1CCO 269982a_100000211664_100000211926 [0,0,0,1,0,0|2,0,0]=3 11488 B12R1.169 OCCC1CCCCN1CCO 34a_100000211664_100000211926 [0,0,0,1,0,0|2,0,0]=3 11489 B12R1.169 [13CH3]OCC1CCCCN1CCN 34a_100011473795_200025704644 [0,0,0,1,0,0|3,0,0]=4 11490 B12R1.173 C#CCN1CCCCCCCC1 2230a_100000039187_100000038162 [0,0,0,1,0,0|2,0,1]=4 11491 B12R1.173 C#CCN1CCCCCCCC1 34a_100000039187_100000184674 [0,0,0,1,0,0|2,0,1]=4 11492 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [0,0,0,1,0,0|2,0,1]=4 11493 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [0,0,0,1,0,0|2,0,1]=4 11494 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [0,0,0,1,0,0|2,0,1]=4 11495 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,0,0,1,0,0|2,0,0]=3 11496 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,0,0,1,0,0|2,0,0]=3 11497 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,0,0,1,0,0|2,0,0]=3 11498 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,0,0,1,0,0|2,0,0]=3 11499 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,0,0,1,0,0|3,0,0]=4 11500 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,0,0,1,0,0|3,0,0]=4 11501 B12R1.173 CSCN1CCCCCCCC1 2230a_100000039187_100011218213 [0,0,0,1,0,0|3,0,0]=4 11502 B12R1.173 CSCN1CCCCCCCC1 269982a_100000039187_100011218213 [0,0,0,1,0,0|3,0,0]=4 11503 B12R1.173 CSCN1CCCCCCCC1 34a_100000039187_100011218213 [0,0,0,1,0,0|3,0,0]=4 11504 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,0,0,1,0,0|2,0,0]=3 11505 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,0,0,1,0,0|2,0,0]=3 11506 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,0,0,1,0,0|2,0,0]=3 11507 B12R1.173 N#CCN1CCCCCCCC1 2230a_100000039187_100011215382 [0,0,0,1,0,0|2,0,1]=4 11508 B12R1.173 N#CCN1CCCCCCCC1 269982a_100000039187_100011214920 [0,0,0,1,0,0|2,0,1]=4 11509 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [0,0,0,1,0,0|1,0,2]=4 11510 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [0,0,0,1,0,0|1,0,2]=4 11511 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [0,0,0,1,0,0|1,0,2]=4 11512 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,0,0,1,0,0|1,0,0]=2 11513 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,0,0,1,0,0|1,0,0]=2 11514 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,0,0,1,0,0|1,0,0]=2 11515 B12R1.267 C#CCCCN1CCCCC1C 2230a_100000211376_100000731252 [0,0,0,1,0,0|2,0,1]=4 11516 B12R1.267 C#CCCCN1CCCCC1C 269982a_100000211376_100011215417 [0,0,0,1,0,0|2,0,1]=4 11517 B12R1.267 C#CCCCN1CCCCC1C 34a_100000211376_100000695029 [0,0,0,1,0,0|2,0,1]=4 11518 B12R1.267 C#CCCNC1CCCCC1C 2230a_100000211402_100000688953 [0,0,0,1,0,0|2,0,1]=4 11519 B12R1.267 C#CCCNC1CCCCC1C 34a_100000211402_100000688953 [0,0,0,1,0,0|2,0,1]=4 11520 B12R1.267 C#CCCNC1CCCCC1O 34a_100000755551_100000038908 [0,0,0,1,0,0|1,0,2]=4 11521 B12R1.267 C#CCCOC1CCCCC1C 34a_100000211207_100000688953 [0,0,0,1,0,0|2,0,1]=4 11522 B12R1.267 C#CCCOC1CCCCC1C 7a_100000211207_100000688953 [0,0,0,1,0,0|2,0,1]=4 11523 B12R1.267 C#CCCOC1CCCCC1O 34a_100011215631_100000038908 [0,0,0,1,0,0|1,0,2]=4 11524 B12R1.267 C#CCCSC1CCCCC1O 62a_100000038908_100000688953 [0,0,0,1,0,0|1,0,2]=4 11525 B12R1.267 C#CCCSC1CCCCC1O 62a_100000688953_100000038908 [0,0,0,1,0,0|1,0,2]=4 11526 B12R1.267 C#CCNCC1CCCCC1O 34a_100011216029_100000184674 [0,0,0,1,0,0|1,0,2]=4 11527 B12R1.267 C/C=C/COC1CCCCC1O 34a_100016270725_100000038908 [0,0,0,1,0,0|1,0,2]=4 11528 B12R1.267 C/C=C/CSC1CCCCC1O 62a_100000038908_100102629194 [0,0,0,1,0,0|1,0,2]=4 11529 B12R1.267 C/C=C/CSC1CCCCC1O 62a_100102629194_100000038908 [0,0,0,1,0,0|1,0,2]=4 11530 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [0,0,0,1,0,0|2,0,1]=4 11531 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [0,0,0,1,0,0|2,0,1]=4 11532 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [0,0,0,1,0,0|2,0,1]=4 11533 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [0,0,0,1,0,0|2,0,1]=4 11534 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [0,0,0,1,0,0|2,0,1]=4 11535 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [0,0,0,1,0,0|2,0,1]=4 11536 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [0,0,0,1,0,0|2,0,1]=4 11537 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [0,0,0,1,0,0|2,0,1]=4 11538 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [0,0,0,1,0,0|2,0,1]=4 11539 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [0,0,0,1,0,0|1,0,2]=4 11540 B12R1.267 C=CCCSC1CCCCC1O 62a_100000038908_100000754431 [0,0,0,1,0,0|1,0,2]=4 11541 B12R1.267 C=CCCSC1CCCCC1O 62a_100000754431_100000038908 [0,0,0,1,0,0|1,0,2]=4 11542 B12R1.267 C=CCNCC1CCCCC1O 34a_100011216029_100015514636 [0,0,0,1,0,0|1,0,2]=4 11543 B12R1.267 CC#CCNC1CCCCC1O 34a_100000685387_100000038908 [0,0,0,1,0,0|1,0,2]=4 11544 B12R1.267 CC#CCOC1CCCCC1O 34a_100000761923_100000038908 [0,0,0,1,0,0|1,0,2]=4 11545 B12R1.267 CC#CCSC1CCCCC1O 62a_100000038908_100000748600 [0,0,0,1,0,0|1,0,2]=4 11546 B12R1.267 CC#CCSC1CCCCC1O 62a_100000748600_100000038908 [0,0,0,1,0,0|1,0,2]=4 11547 B12R1.267 CC1CC=CCC1CNCCO 269862a_100000210304_100000117039 [0,0,0,1,0,0|1,0,2]=4 11548 B12R1.267 CC1CC=CCC1CNCCO 270004a_100000210304_100000117039 [0,0,0,1,0,0|1,0,2]=4 11549 B12R1.267 CC1CC=CCC1COCCO 34a_100000211322_100000211926 [0,0,0,1,0,0|1,0,2]=4 11550 B12R1.267 CC1CCCCC1=NNCCO 4a_100000210001_100000210921 [0,0,0,1,0,0|2,0,1]=4 11551 B12R1.267 CC1CCCCC1NCCC#N 2230a_100000211402_100011215226 [0,0,0,1,0,0|2,0,1]=4 11552 B12R1.267 CC1CCCCC1NCCC#N 270004a_100000720768_100000210921 [0,0,0,1,0,0|2,0,1]=4 11553 B12R1.267 CC1CCCCC1NCCCF 2230a_100000211402_100011934791 [0,0,0,1,0,0|2,0,0]=3 11554 B12R1.267 CC1CCCCC1NCCCF 269862a_100015189416_100000210921 [0,0,0,1,0,0|2,0,0]=3 11555 B12R1.267 CC1CCCCC1NCCCF 270004a_100015189416_100000210921 [0,0,0,1,0,0|2,0,0]=3 11556 B12R1.267 CC1CCCCC1NCCCF 34a_100000211402_100011934791 [0,0,0,1,0,0|2,0,0]=3 11557 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [0,0,0,1,0,0|1,0,0]=2 11558 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [0,0,0,1,0,0|1,0,0]=2 11559 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [0,0,0,1,0,0|1,0,0]=2 11560 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [0,0,0,1,0,0|1,0,0]=2 11561 B12R1.267 CC1CCCCC1OCCC#N 7a_100000211207_100000184422 [0,0,0,1,0,0|2,0,1]=4 11562 B12R1.267 CC1CCCCC1OCCCF 34a_100000211207_100011934791 [0,0,0,1,0,0|2,0,0]=3 11563 B12R1.267 CC1CCCCC1OCCCF 7a_100000211207_100011934791 [0,0,0,1,0,0|2,0,0]=3 11564 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [0,0,0,1,0,0|1,0,0]=2 11565 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [0,0,0,1,0,0|1,0,0]=2 11566 B12R1.267 CC1CCCCN1CC#CCO 2230a_100000211376_200000047223 [0,0,0,1,0,0|1,0,2]=4 11567 B12R1.267 CC1CCCCN1CC#CCO 34a_100000211376_200000047223 [0,0,0,1,0,0|1,0,2]=4 11568 B12R1.267 CC1CCCCN1CCCC#N 2230a_100000211376_100000687738 [0,0,0,1,0,0|2,0,1]=4 11569 B12R1.267 CC1CCCCN1CCCC#N 269982a_100000211376_100000687738 [0,0,0,1,0,0|2,0,1]=4 11570 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [0,0,0,1,0,0|1,0,2]=4 11571 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [0,0,0,1,0,0|1,0,2]=4 11572 B12R1.267 CC1CCCCN1CCCCF 2230a_100000211376_100000729493 [0,0,0,1,0,0|2,0,0]=3 11573 B12R1.267 CC1CCCCN1CCCCF 269982a_100000211376_100000729493 [0,0,0,1,0,0|2,0,0]=3 11574 B12R1.267 CC1CCCCN1CCCCF 34a_100000211376_100000729493 [0,0,0,1,0,0|2,0,0]=3 11575 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [0,0,0,1,0,0|1,0,0]=2 11576 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [0,0,0,1,0,0|1,0,0]=2 11577 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [0,0,0,1,0,0|1,0,0]=2 11578 B12R1.267 CC1CCCCN1CCCN[13CH3] 34a_100000212276_200025704644 [0,0,0,1,0,0|3,0,0]=4 11579 B12R1.267 CC1CCCCN1CCCO[13CH3] 34a_100000213889_200025704644 [0,0,0,1,0,0|3,0,0]=4 11580 B12R1.267 CC1CCCCN1CCCO[13CH3] 7a_100000213889_200025704644 [0,0,0,1,0,0|3,0,0]=4 11581 B12R1.267 CC1CCCCN1CCNCF 34a_100000739827_100015361967 [0,0,0,1,0,0|3,0,0]=4 11582 B12R1.267 CC1CCCCN1CCOCF 34a_100011305533_100015361967 [0,0,0,1,0,0|3,0,0]=4 11583 B12R1.267 CC1CCNCC1OCCCF 34a_100000696640_100011934791 [0,0,0,1,0,0|3,0,0]=4 11584 B12R1.267 CC1CCNCC1OCCCO 34a_100000696640_100000230001 [0,0,0,1,0,0|2,0,0]=3 11585 B12R1.267 CC1CNCCC1NCCCF 270004a_100015189416_100000703950 [0,0,0,1,0,0|3,0,0]=4 11586 B12R1.267 CC1CNCCC1NCCCO 270004a_100000182051_100000703950 [0,0,0,1,0,0|2,0,0]=3 11587 B12R1.267 CC1CNCCC1OCCCF 34a_100011998114_100011934791 [0,0,0,1,0,0|3,0,0]=4 11588 B12R1.267 CC1CNCCC1OCCCO 34a_100011998114_100000230001 [0,0,0,1,0,0|2,0,0]=3 11589 B12R1.267 CC1COCCC1NCCCF 270004a_100015189416_100000755695 [0,0,0,1,0,0|3,0,0]=4 11590 B12R1.267 CC1COCCC1NCCCO 270004a_100000182051_100000755695 [0,0,0,1,0,0|2,0,0]=3 11591 B12R1.267 CC=CCSC1CCCCC1O 62a_100000038908_100000070051 [0,0,0,1,0,0|1,0,2]=4 11592 B12R1.267 CC=CCSC1CCCCC1O 62a_100000070051_100000038908 [0,0,0,1,0,0|1,0,2]=4 11593 B12R1.267 CCCCCN1CCCCC1C 2230a_100000211376_100000210326 [0,0,0,1,0,0|2,0,0]=3 11594 B12R1.267 CCCCCN1CCCCC1C 269982a_100000211376_100000210215 [0,0,0,1,0,0|2,0,0]=3 11595 B12R1.267 CCCCCN1CCCCC1C 34a_100000211376_100000718602 [0,0,0,1,0,0|2,0,0]=3 11596 B12R1.267 CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210326 [0,0,0,1,0,0|3,0,0]=4 11597 B12R1.267 CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210215 [0,0,0,1,0,0|3,0,0]=4 11598 B12R1.267 CCCCCN1CCOC[C@@H]1C 34a_100009815349_100000718602 [0,0,0,1,0,0|3,0,0]=4 11599 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,0,0,1,0,0|1,0,2]=4 11600 B12R1.267 CCCCNC1CCCCC1C 2230a_100000211402_100000210211 [0,0,0,1,0,0|2,0,0]=3 11601 B12R1.267 CCCCNC1CCCCC1C 269862a_100000102301_100000210921 [0,0,0,1,0,0|2,0,0]=3 11602 B12R1.267 CCCCNC1CCCCC1C 270004a_100000102301_100000210921 [0,0,0,1,0,0|2,0,0]=3 11603 B12R1.267 CCCCNC1CCCCC1C 34a_100000211402_100000210210 [0,0,0,1,0,0|2,0,0]=3 11604 B12R1.267 CCCCNC1CCNCC1C 270004a_100000102301_100000703950 [0,0,0,1,0,0|3,0,0]=4 11605 B12R1.267 CCCCNC1CCOCC1C 270004a_100000102301_100000755695 [0,0,0,1,0,0|3,0,0]=4 11606 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210211 [0,0,0,1,0,0|2,0,0]=3 11607 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210210 [0,0,0,1,0,0|2,0,0]=3 11608 B12R1.267 CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210211 [0,0,0,1,0,0|2,0,0]=3 11609 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210211 [0,0,0,1,0,0|3,0,0]=4 11610 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210210 [0,0,0,1,0,0|3,0,0]=4 11611 B12R1.267 CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210211 [0,0,0,1,0,0|2,0,0]=3 11612 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,0,0,1,0,0|1,0,2]=4 11613 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,0,0,1,0,0|1,0,2]=4 11614 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,0,0,1,0,0|1,0,2]=4 11615 B12R1.267 CCCCOC1CCCCC1C 34a_100000211207_100000210210 [0,0,0,1,0,0|2,0,0]=3 11616 B12R1.267 CCCCOC1CCCCC1C 7a_100000211207_100000210211 [0,0,0,1,0,0|2,0,0]=3 11617 B12R1.267 CCCCOC1CCCCC1Cl 34a_100000038908_100000210210 [0,0,0,1,0,0|2,0,0]=3 11618 B12R1.267 CCCCOC1CCCCC1Cl 7a_100000038908_100000210211 [0,0,0,1,0,0|2,0,0]=3 11619 B12R1.267 CCCCOC1CCCCC1F 34a_100000210227_100015423560 [0,0,0,1,0,0|2,0,0]=3 11620 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [0,0,0,1,0,0|1,0,0]=2 11621 B12R1.267 CCCCOC1CCNCC1C 34a_100011998114_100000210210 [0,0,0,1,0,0|3,0,0]=4 11622 B12R1.267 CCCCOC1CNCCC1C 34a_100000696640_100000210210 [0,0,0,1,0,0|3,0,0]=4 11623 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210210 [0,0,0,1,0,0|2,0,0]=3 11624 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210211 [0,0,0,1,0,0|2,0,0]=3 11625 B12R1.267 CCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210210 [0,0,0,1,0,0|3,0,0]=4 11626 B12R1.267 CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210210 [0,0,0,1,0,0|2,0,0]=3 11627 B12R1.267 CCCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210210 [0,0,0,1,0,0|3,0,0]=4 11628 B12R1.267 CCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210210 [0,0,0,1,0,0|3,0,0]=4 11629 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,0,0,1,0,0|1,0,2]=4 11630 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,0,0,1,0,0|1,0,2]=4 11631 B12R1.267 CCCCSC1CCCCC1F 62a_100000210211_100015423560 [0,0,0,1,0,0|2,0,0]=3 11632 B12R1.267 CCCCSC1CCCCC1F 62a_100015423560_100000210210 [0,0,0,1,0,0|2,0,0]=3 11633 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [0,0,0,1,0,0|1,0,0]=2 11634 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [0,0,0,1,0,0|1,0,0]=2 11635 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [0,0,0,1,0,0|1,0,0]=2 11636 B12R1.267 CCCNCC1CCCCN1C 34a_100011228421_100000210303 [0,0,0,1,0,0|3,0,0]=4 11637 B12R1.267 CCCNN=C1CCCCC1O 4a_100000740057_100011214950 [0,0,0,1,0,0|2,0,1]=4 11638 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,0,0,1,0,0|1,0,2]=4 11639 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,0,0,1,0,0|1,0,2]=4 11640 B12R1.267 CCCOCC1CCCCN1C 34a_100000210258_100015186950 [0,0,0,1,0,0|3,0,0]=4 11641 B12R1.267 CCCOCC1CCCCN1C 34a_100000225079_100000210303 [0,0,0,1,0,0|3,0,0]=4 11642 B12R1.267 CCCOCC1COCCC1N 34a_214813039666_100000210303 [0,0,0,1,0,0|3,0,0]=4 11643 B12R1.267 CCCSCC1CCCCN1C 62a_100000210303_100015185383 [0,0,0,1,0,0|3,0,0]=4 11644 B12R1.267 CCCSCC1CCCCN1C 62a_100015185383_100000210303 [0,0,0,1,0,0|3,0,0]=4 11645 B12R1.267 CCNCCC1CCCCN1C 2230a_100015525214_100000211948 [0,0,0,1,0,0|3,0,0]=4 11646 B12R1.267 CCNCCN1CCCCC1C 2230a_100000739827_100000210202 [0,0,0,1,0,0|3,0,0]=4 11647 B12R1.267 CCNCCN1CCCCC1C 34a_100000739827_100000210202 [0,0,0,1,0,0|3,0,0]=4 11648 B12R1.267 CCOCCC1CCCCN1C 34a_100121572206_100000211948 [0,0,0,1,0,0|3,0,0]=4 11649 B12R1.267 CCOCCN1CCCCC1C 2230a_100000211376_100011215890 [0,0,0,1,0,0|3,0,0]=4 11650 B12R1.267 CCOCCN1CCCCC1C 269982a_100000211376_100011215890 [0,0,0,1,0,0|3,0,0]=4 11651 B12R1.267 CCOCCN1CCCCC1C 34a_100000211376_100000210147 [0,0,0,1,0,0|3,0,0]=4 11652 B12R1.267 CCOCCN1CCCCC1C 34a_100011305533_100000210202 [0,0,0,1,0,0|3,0,0]=4 11653 B12R1.267 CCOCSC1CCCCC1F 62a_100000739092_100015423560 [0,0,0,1,0,0|3,0,0]=4 11654 B12R1.267 CCOCSC1CCCCC1F 62a_100015423560_100000739092 [0,0,0,1,0,0|3,0,0]=4 11655 B12R1.267 CCOCSC1CCCCC1O 62a_100000038908_100000739092 [0,0,0,1,0,0|2,0,0]=3 11656 B12R1.267 CCOCSC1CCCCC1O 62a_100000739092_100000038908 [0,0,0,1,0,0|2,0,0]=3 11657 B12R1.267 CCSCCC1CCCCN1C 62a_100000210202_100000211948 [0,0,0,1,0,0|3,0,0]=4 11658 B12R1.267 CCSCCC1CCCCN1C 62a_100000211948_100000210202 [0,0,0,1,0,0|3,0,0]=4 11659 B12R1.267 CCSCCN1CCCCC1C 2230a_100000211376_100000757381 [0,0,0,1,0,0|3,0,0]=4 11660 B12R1.267 CCSCCN1CCCCC1C 269982a_100000211376_100000757381 [0,0,0,1,0,0|3,0,0]=4 11661 B12R1.267 CCSCCN1CCCCC1C 34a_100000211376_100000757381 [0,0,0,1,0,0|3,0,0]=4 11662 B12R1.267 CN1CCCCC1CCSCF 62a_100000211948_100015361967 [0,0,0,1,0,0|3,0,0]=4 11663 B12R1.267 CN1CCCCC1CCSCF 62a_100015361967_100000211948 [0,0,0,1,0,0|3,0,0]=4 11664 B12R1.267 CN1CCCCC1CNCCF 34a_100000724931_100015186950 [0,0,0,1,0,0|3,0,0]=4 11665 B12R1.267 CN1CCCCC1CNCCF 34a_100011228421_100011217306 [0,0,0,1,0,0|3,0,0]=4 11666 B12R1.267 CN1CCCCC1CNCCO 34a_100011228421_100000211926 [0,0,0,1,0,0|2,0,0]=3 11667 B12R1.267 CN1CCCCC1CNCCO 34a_100016990907_100015186950 [0,0,0,1,0,0|2,0,0]=3 11668 B12R1.267 CN1CCCCC1COCCBr 34a_100000211926_100015186950 [0,0,0,1,0,0|3,0,0]=4 11669 B12R1.267 CN1CCCCC1COCCF 34a_100000225079_100011217306 [0,0,0,1,0,0|3,0,0]=4 11670 B12R1.267 CN1CCCCC1COCCN 34a_100000210304_100015186950 [0,0,0,1,0,0|3,0,0]=4 11671 B12R1.267 CN1CCCCC1COCCO 34a_100000225079_100000211926 [0,0,0,1,0,0|2,0,0]=3 11672 B12R1.267 CN1CCCCC1CSCCF 62a_100011217306_100015185383 [0,0,0,1,0,0|3,0,0]=4 11673 B12R1.267 CN1CCCCC1CSCCF 62a_100015185383_100011217306 [0,0,0,1,0,0|3,0,0]=4 11674 B12R1.267 CN1CCCCC1CSCCO 62a_100000211926_100015185383 [0,0,0,1,0,0|2,0,0]=3 11675 B12R1.267 CN1CCCCC1CSCCO 62a_100015185383_100000211926 [0,0,0,1,0,0|2,0,0]=3 11676 B12R1.267 CN1CCOCC1COCCO 34a_100013547906_100000211926 [0,0,0,1,0,0|3,0,0]=4 11677 B12R1.267 CNCCCN1CCCCC1C 34a_100000212276_200000210301 [0,0,0,1,0,0|3,0,0]=4 11678 B12R1.267 COCCCC1CCCCN1C 2230a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 11679 B12R1.267 COCCCC1CCCCN1C 269982a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 11680 B12R1.267 COCCCC1CCCCN1C 34a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 11681 B12R1.267 COCCCC1CCCCN1[13CH3] 2230a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 11682 B12R1.267 COCCCC1CCCCN1[13CH3] 269982a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 11683 B12R1.267 COCCCC1CCCCN1[13CH3] 34a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 11684 B12R1.267 COCCCN1CCCCC1C 2230a_100000211376_100000740836 [0,0,0,1,0,0|3,0,0]=4 11685 B12R1.267 COCCCN1CCCCC1C 269982a_100000211376_100000740836 [0,0,0,1,0,0|3,0,0]=4 11686 B12R1.267 COCCCN1CCCCC1C 34a_100000211376_100000740836 [0,0,0,1,0,0|3,0,0]=4 11687 B12R1.267 COCCCN1CCCCC1C 34a_100000213889_200000210301 [0,0,0,1,0,0|3,0,0]=4 11688 B12R1.267 COCCCN1CCCCC1C 7a_100000213889_200000210301 [0,0,0,1,0,0|3,0,0]=4 11689 B12R1.267 COCCNC1CCCCC1C 2230a_100000211402_100011201679 [0,0,0,1,0,0|3,0,0]=4 11690 B12R1.267 COCCNC1CCCCC1C 269862a_100000209980_100000210921 [0,0,0,1,0,0|3,0,0]=4 11691 B12R1.267 COCCNC1CCCCC1C 270004a_100000209980_100000210921 [0,0,0,1,0,0|3,0,0]=4 11692 B12R1.267 COCCNC1CCCCC1C 34a_100000211402_100011201679 [0,0,0,1,0,0|3,0,0]=4 11693 B12R1.267 COCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011201679 [0,0,0,1,0,0|3,0,0]=4 11694 B12R1.267 COCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011201679 [0,0,0,1,0,0|3,0,0]=4 11695 B12R1.267 COCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011201679 [0,0,0,1,0,0|3,0,0]=4 11696 B12R1.267 COCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011201679 [0,0,0,1,0,0|3,0,0]=4 11697 B12R1.267 COCCOC1CCCCC1C 34a_100000211207_100011201679 [0,0,0,1,0,0|3,0,0]=4 11698 B12R1.267 COCCOC1CCCCC1C 7a_100000211207_100000233755 [0,0,0,1,0,0|3,0,0]=4 11699 B12R1.267 COCCOC1CCCCC1Cl 34a_100000038908_100011201679 [0,0,0,1,0,0|3,0,0]=4 11700 B12R1.267 COCCOC1CCCCC1Cl 7a_100000038908_100000233755 [0,0,0,1,0,0|3,0,0]=4 11701 B12R1.267 COCCOC1CCCCC1F 34a_100000210237_100015423560 [0,0,0,1,0,0|3,0,0]=4 11702 B12R1.267 COCCOC1CCCCC1O 34a_100000210237_100000038908 [0,0,0,1,0,0|2,0,0]=3 11703 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011201679 [0,0,0,1,0,0|3,0,0]=4 11704 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000233755 [0,0,0,1,0,0|3,0,0]=4 11705 B12R1.267 COCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011201679 [0,0,0,1,0,0|3,0,0]=4 11706 B12R1.267 COCCSC1CCCCC1F 62a_100000233755_100015423560 [0,0,0,1,0,0|3,0,0]=4 11707 B12R1.267 COCCSC1CCCCC1F 62a_100015423560_100000233755 [0,0,0,1,0,0|3,0,0]=4 11708 B12R1.267 COCCSC1CCCCC1O 62a_100000038908_100000233755 [0,0,0,1,0,0|2,0,0]=3 11709 B12R1.267 COCCSC1CCCCC1O 62a_100000233755_100000038908 [0,0,0,1,0,0|2,0,0]=3 11710 B12R1.267 CSCCNC1CCCCC1C 2230a_100000211402_100000751147 [0,0,0,1,0,0|3,0,0]=4 11711 B12R1.267 CSCCNC1CCCCC1C 269862a_100020590264_100000210921 [0,0,0,1,0,0|3,0,0]=4 11712 B12R1.267 CSCCNC1CCCCC1C 270004a_100020590264_100000210921 [0,0,0,1,0,0|3,0,0]=4 11713 B12R1.267 CSCCNC1CCCCC1C 34a_100000211402_100000212216 [0,0,0,1,0,0|3,0,0]=4 11714 B12R1.267 CSCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000751147 [0,0,0,1,0,0|3,0,0]=4 11715 B12R1.267 CSCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000212216 [0,0,0,1,0,0|3,0,0]=4 11716 B12R1.267 CSCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000751147 [0,0,0,1,0,0|3,0,0]=4 11717 B12R1.267 CSCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000751147 [0,0,0,1,0,0|3,0,0]=4 11718 B12R1.267 CSCCOC1CCCCC1C 34a_100000211207_100000212216 [0,0,0,1,0,0|3,0,0]=4 11719 B12R1.267 CSCCOC1CCCCC1C 7a_100000211207_100000212216 [0,0,0,1,0,0|3,0,0]=4 11720 B12R1.267 CSCCOC1CCCCC1Cl 34a_100000038908_100000212216 [0,0,0,1,0,0|3,0,0]=4 11721 B12R1.267 CSCCOC1CCCCC1Cl 7a_100000038908_100000212216 [0,0,0,1,0,0|3,0,0]=4 11722 B12R1.267 CSCCOC1CCCCC1F 34a_100000230434_100015423560 [0,0,0,1,0,0|3,0,0]=4 11723 B12R1.267 CSCCOC1CCCCC1O 34a_100000230434_100000038908 [0,0,0,1,0,0|2,0,0]=3 11724 B12R1.267 CSCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000212216 [0,0,0,1,0,0|3,0,0]=4 11725 B12R1.267 CSCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000212216 [0,0,0,1,0,0|3,0,0]=4 11726 B12R1.267 CSCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000212216 [0,0,0,1,0,0|3,0,0]=4 11727 B12R1.267 CSCCSC1CCCCC1F 62a_100000212216_100015423560 [0,0,0,1,0,0|3,0,0]=4 11728 B12R1.267 CSCCSC1CCCCC1F 62a_100015423560_100000751147 [0,0,0,1,0,0|3,0,0]=4 11729 B12R1.267 CSCCSC1CCCCC1O 62a_100000038908_100000751147 [0,0,0,1,0,0|2,0,0]=3 11730 B12R1.267 CSCCSC1CCCCC1O 62a_100000212216_100000038908 [0,0,0,1,0,0|2,0,0]=3 11731 B12R1.267 CSCNCC1CCCCC1O 34a_100011216029_100011218213 [0,0,0,1,0,0|2,0,0]=3 11732 B12R1.267 C[C@H]1COCCN1CCCCF 2230a_100009815349_100000729493 [0,0,0,1,0,0|3,0,0]=4 11733 B12R1.267 C[C@H]1COCCN1CCCCF 269982a_100009815349_100000729493 [0,0,0,1,0,0|3,0,0]=4 11734 B12R1.267 C[C@H]1COCCN1CCCCF 34a_100009815349_100000729493 [0,0,0,1,0,0|3,0,0]=4 11735 B12R1.267 C[C@H]1COCCN1CCCCO 2230a_100009815349_100000210776 [0,0,0,1,0,0|2,0,0]=3 11736 B12R1.267 C[C@H]1COCCN1CCCCO 269982a_100009815349_100000210776 [0,0,0,1,0,0|2,0,0]=3 11737 B12R1.267 C[C@H]1COCCN1CCCCO 34a_100009815349_100011216708 [0,0,0,1,0,0|2,0,0]=3 11738 B12R1.267 FC1CCCCC1OCCCBr 34a_100011217188_100015423560 [0,0,0,1,0,0|3,0,0]=4 11739 B12R1.267 FC1CCCCC1OCCCCl 34a_100000230001_100015423560 [0,0,0,1,0,0|3,0,0]=4 11740 B12R1.267 FCCCNC1CCCCC1F 34a_100015189416_100015423560 [0,0,0,1,0,0|3,0,0]=4 11741 B12R1.267 FCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011934791 [0,0,0,1,0,0|3,0,0]=4 11742 B12R1.267 FCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011934791 [0,0,0,1,0,0|3,0,0]=4 11743 B12R1.267 FCCCOC1CCCCC1Cl 34a_100000038908_100011934791 [0,0,0,1,0,0|3,0,0]=4 11744 B12R1.267 FCCCOC1CCCCC1Cl 7a_100000038908_100011934791 [0,0,0,1,0,0|3,0,0]=4 11745 B12R1.267 FCCCOC1CCCCC1F 34a_100000759539_100015423560 [0,0,0,1,0,0|3,0,0]=4 11746 B12R1.267 FCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011934791 [0,0,0,1,0,0|3,0,0]=4 11747 B12R1.267 FCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011934791 [0,0,0,1,0,0|3,0,0]=4 11748 B12R1.267 FCCCSC1CCCCC1F 62a_100011934791_100015423560 [0,0,0,1,0,0|3,0,0]=4 11749 B12R1.267 FCCCSC1CCCCC1F 62a_100015423560_100011934791 [0,0,0,1,0,0|3,0,0]=4 11750 B12R1.267 N#CCCSC1CCCCC1O 62a_100000038908_100011215226 [0,0,0,1,0,0|2,0,1]=4 11751 B12R1.267 N#CCCSC1CCCCC1O 62a_100011215226_100000038908 [0,0,0,1,0,0|2,0,1]=4 11752 B12R1.267 NC1CCOCC1COCCO 34a_214813039666_100000211926 [0,0,0,1,0,0|3,0,0]=4 11753 B12R1.267 NCCCOC1CCCCC1F 34a_100000182051_100015423560 [0,0,0,1,0,0|3,0,0]=4 11754 B12R1.267 NCCCOC1CCCCC1O 34a_100000182051_100000038908 [0,0,0,1,0,0|2,0,0]=3 11755 B12R1.267 NOCCOC1CCCCC1O 34a_100000700252_100000038908 [0,0,0,1,0,0|3,0,0]=4 11756 B12R1.267 N[C@@H]1CCCC[C@@H]1OCCCF 34a_100015191688_100011934791 [0,0,0,1,0,0|3,0,0]=4 11757 B12R1.267 N[C@@H]1CCCC[C@@H]1OCCCO 34a_100015191688_100000230001 [0,0,0,1,0,0|2,0,0]=3 11758 B12R1.267 N[C@@H]1CCOC[C@@H]1OCCCO 34a_100016994285_100000230001 [0,0,0,1,0,0|3,0,0]=4 11759 B12R1.267 N[C@H]1COCC[C@@H]1OCCCO 34a_100015739063_100000230001 [0,0,0,1,0,0|3,0,0]=4 11760 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,0,0,1,0,0|2,0,1]=4 11761 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,0,0,1,0,0|2,0,1]=4 11762 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,0,0,1,0,0|2,0,1]=4 11763 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,0,0,1,0,0|2,0,1]=4 11764 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,0,0,1,0,0|2,0,1]=4 11765 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [0,0,0,1,0,0|2,0,1]=4 11766 B12R1.267 OC1CCCCC1CNCCF 34a_100011216029_100011217306 [0,0,0,1,0,0|2,0,0]=3 11767 B12R1.267 OC1CCCCC1NCCCF 34a_100015189416_100000038908 [0,0,0,1,0,0|2,0,0]=3 11768 B12R1.267 OC1CCCCC1OCCCBr 34a_100011217188_100000038908 [0,0,0,1,0,0|2,0,0]=3 11769 B12R1.267 OC1CCCCC1OCCCCl 34a_100000230001_100000038908 [0,0,0,1,0,0|2,0,0]=3 11770 B12R1.267 OC1CCCCC1OCCCF 34a_100000759539_100000038908 [0,0,0,1,0,0|2,0,0]=3 11771 B12R1.267 OC1CCCCC1SCCCF 62a_100000038908_100011934791 [0,0,0,1,0,0|2,0,0]=3 11772 B12R1.267 OC1CCCCC1SCCCF 62a_100011934791_100000038908 [0,0,0,1,0,0|2,0,0]=3 11773 B12R1.267 OCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000230001 [0,0,0,1,0,0|2,0,0]=3 11774 B12R1.267 OCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000230001 [0,0,0,1,0,0|2,0,0]=3 11775 B12R1.267 OCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000230001 [0,0,0,1,0,0|3,0,0]=4 11776 B12R1.267 OCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000230001 [0,0,0,1,0,0|3,0,0]=4 11777 B12R1.267 OCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000230001 [0,0,0,1,0,0|3,0,0]=4 11778 B12R1.267 OCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000230001 [0,0,0,1,0,0|3,0,0]=4 11779 B12R1.267 OCCCOC1CCCCC1Cl 34a_100000038908_100000230001 [0,0,0,1,0,0|2,0,0]=3 11780 B12R1.267 OCCCOC1CCCCC1Cl 7a_100000038908_100011215043 [0,0,0,1,0,0|2,0,0]=3 11781 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000230001 [0,0,0,1,0,0|2,0,0]=3 11782 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215043 [0,0,0,1,0,0|2,0,0]=3 11783 B12R1.267 OCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000230001 [0,0,0,1,0,0|3,0,0]=4 11784 B12R1.267 OCCCSC1CCCCC1F 62a_100011215043_100015423560 [0,0,0,1,0,0|2,0,0]=3 11785 B12R1.267 OCCCSC1CCCCC1F 62a_100015423560_100011215043 [0,0,0,1,0,0|2,0,0]=3 11786 B12R1.267 OCCCSC1CCCCC1O 62a_100000038908_100011215043 [0,0,0,1,0,0|2,0,0]=3 11787 B12R1.267 OCCCSC1CCCCC1O 62a_100011215043_100000038908 [0,0,0,1,0,0|2,0,0]=3 11788 B12R1.267 OCCNCC1CCCCC1O 34a_100011216029_100000211926 [0,0,0,1,0,0|2,0,0]=3 11789 B12R1.267 O[C@H]1CCOC[C@@H]1NCCCF 2230a_100015739063_100011934791 [0,0,0,1,0,0|3,0,0]=4 11790 B12R1.267 O[C@H]1COCC[C@H]1NCCCF 2230a_100016994285_100011934791 [0,0,0,1,0,0|3,0,0]=4 11791 B12R1.271 C#CCCCCOCC1CC1C 34a_100000744939_100010269958 [0,0,0,1,0,0|2,0,1]=4 11792 B12R1.271 C#CCCCCOCC1CC1C 7a_100000744939_100010269958 [0,0,0,1,0,0|2,0,1]=4 11793 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [0,0,0,1,0,0|2,0,1]=4 11794 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [0,0,0,1,0,0|2,0,1]=4 11795 B12R1.271 CC1CC1COCCCCC#N 7a_100000744939_100000211819 [0,0,0,1,0,0|2,0,1]=4 11796 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [0,0,0,1,0,0|1,0,2]=4 11797 B12R1.271 CC1CC1COCCCCCF 34a_100000744939_100000729378 [0,0,0,1,0,0|2,0,0]=3 11798 B12R1.271 CC1CC1COCCCCCF 7a_100000744939_100000729378 [0,0,0,1,0,0|2,0,0]=3 11799 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,0,0,1,0,0|1,0,0]=2 11800 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,0,0,1,0,0|1,0,0]=2 11801 B12R1.271 CC1CC1COCCOCCO 34a_100000744939_100000692535 [0,0,0,1,0,0|2,0,0]=3 11802 B12R1.271 CC1CC1COCCOCCO 7a_100000744939_100011215305 [0,0,0,1,0,0|2,0,0]=3 11803 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [0,0,0,1,0,0|2,0,0]=3 11804 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [0,0,0,1,0,0|2,0,0]=3 11805 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [0,0,0,1,0,0|2,0,0]=3 11806 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,0,0,1,0,0|2,0,0]=3 11807 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,0,0,1,0,0|2,0,0]=3 11808 B12R1.271 CCCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000743108 [0,0,0,1,0,0|3,0,0]=4 11809 B12R1.271 CCCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000743108 [0,0,0,1,0,0|3,0,0]=4 11810 B12R1.271 CCCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000743108 [0,0,0,1,0,0|3,0,0]=4 11811 B12R1.271 CCCCOCOCC1CC1C 34a_100000744939_100011995733 [0,0,0,1,0,0|3,0,0]=4 11812 B12R1.271 CCCOCCOCC1CC1C 34a_100000744939_100011215938 [0,0,0,1,0,0|3,0,0]=4 11813 B12R1.271 CCCOCCOCC1CC1C 7a_100000744939_100011215938 [0,0,0,1,0,0|3,0,0]=4 11814 B12R1.271 CCOCCCOCC1CC1C 34a_100000744939_100012232248 [0,0,0,1,0,0|3,0,0]=4 11815 B12R1.271 CCOCCCOCC1CC1C 7a_100000744939_100012232248 [0,0,0,1,0,0|3,0,0]=4 11816 B12R1.271 COCCCCOCC1CC1C 34a_100000744939_100000755781 [0,0,0,1,0,0|3,0,0]=4 11817 B12R1.271 COCCCCOCC1CC1C 7a_100000744939_100000730899 [0,0,0,1,0,0|3,0,0]=4 11818 B12R1.271 FCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100015922095 [0,0,0,1,0,0|3,0,0]=4 11819 B12R1.271 FCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100015922095 [0,0,0,1,0,0|3,0,0]=4 11820 B12R1.271 FCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100015922095 [0,0,0,1,0,0|3,0,0]=4 11821 B12R1.271 OCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000766143 [0,0,0,1,0,0|2,0,0]=3 11822 B12R1.271 OCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000766143 [0,0,0,1,0,0|2,0,0]=3 11823 B12R1.271 OCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000766143 [0,0,0,1,0,0|2,0,0]=3 11824 B12R1.272 BrCCCCCCOC1CCC1 34a_100011215345_100000749161 [0,0,0,1,0,0|2,0,0]=3 11825 B12R1.272 BrCCCCCCOC1COC1 34a_100011215345_100009818527 [0,0,0,1,0,0|3,0,0]=4 11826 B12R1.272 BrCCCCCCOC1COC1 7a_100011215345_100009818527 [0,0,0,1,0,0|3,0,0]=4 11827 B12R1.272 BrCCCCCOCC1CCC1 34a_100000746331_100000763275 [0,0,0,1,0,0|2,0,0]=3 11828 B12R1.272 BrCCCCCOCC1CCC1 7a_100000746331_100000763275 [0,0,0,1,0,0|2,0,0]=3 11829 B12R1.272 BrCCCCCOCC1CCO1 34a_100000746331_100000103362 [0,0,0,1,0,0|2,0,0]=3 11830 B12R1.272 BrCCCCCOCC1CCO1 7a_100000746331_100000103362 [0,0,0,1,0,0|2,0,0]=3 11831 B12R1.272 BrCCCCCOCC1COC1 34a_100000746331_100010264016 [0,0,0,1,0,0|3,0,0]=4 11832 B12R1.272 BrCCCCCOCC1COC1 7a_100000746331_100010264016 [0,0,0,1,0,0|3,0,0]=4 11833 B12R1.272 BrCCOCCOCC1CCC1 34a_100000692535_100000763275 [0,0,0,1,0,0|3,0,0]=4 11834 B12R1.272 BrCCOCCOCC1CCC1 7a_100000692535_100000763275 [0,0,0,1,0,0|3,0,0]=4 11835 B12R1.272 BrCCOCCOCC1CCO1 34a_100000692535_100000103362 [0,0,0,1,0,0|3,0,0]=4 11836 B12R1.272 BrCCOCCOCC1CCO1 7a_100000692535_100000103362 [0,0,0,1,0,0|3,0,0]=4 11837 B12R1.272 C#CCCCCCCN1CCC1 269982a_100000754969_100012276617 [0,0,0,1,0,0|2,0,1]=4 11838 B12R1.272 C#CCCCCCNC1CCC1 2230a_100000749019_100012094781 [0,0,0,1,0,0|2,0,1]=4 11839 B12R1.272 C#CCCCCCNC1CCC1 34a_100000749019_100012094781 [0,0,0,1,0,0|2,0,1]=4 11840 B12R1.272 C#CCCCCCOC1CCC1 34a_100000748187_100012094781 [0,0,0,1,0,0|2,0,1]=4 11841 B12R1.272 C#CCCCCCOC1CCC1 34a_100000766912_100000749161 [0,0,0,1,0,0|2,0,1]=4 11842 B12R1.272 C#CCCCCCSC1CCC1 62a_100012094781_100000749161 [0,0,0,1,0,0|2,0,1]=4 11843 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000706060_100000763275 [0,0,0,1,0,0|2,0,1]=4 11844 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000738700_100010269958 [0,0,0,1,0,0|2,0,1]=4 11845 B12R1.272 C#CCCCCNCC1CCC1 34a_100000706060_100000763275 [0,0,0,1,0,0|2,0,1]=4 11846 B12R1.272 C#CCCCCNCC1CCC1 34a_100000738700_100010269958 [0,0,0,1,0,0|2,0,1]=4 11847 B12R1.272 C#CCCCCNCC1CCO1 2230a_100000706060_100000103362 [0,0,0,1,0,0|1,0,2]=4 11848 B12R1.272 C#CCCCCNCC1CCO1 34a_100000706060_100000103362 [0,0,0,1,0,0|1,0,2]=4 11849 B12R1.272 C#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100010269958 [0,0,0,1,0,0|1,0,2]=4 11850 B12R1.272 C#CCCCCNC[C@@H]1CCO1 34a_100020831831_100010269958 [0,0,0,1,0,0|1,0,2]=4 11851 B12R1.272 C#CCCCCOCC1CCC1 34a_100000760304_100010269958 [0,0,0,1,0,0|2,0,1]=4 11852 B12R1.272 C#CCCCCOCC1CCC1 34a_100000766709_100000763275 [0,0,0,1,0,0|2,0,1]=4 11853 B12R1.272 C#CCCCCOCC1CCC1 7a_100000766709_100000763275 [0,0,0,1,0,0|2,0,1]=4 11854 B12R1.272 C#CCCCCOCC1CCO1 34a_100000039022_100010269958 [0,0,0,1,0,0|1,0,2]=4 11855 B12R1.272 C#CCCCCOCC1CCO1 34a_100000766709_100000103362 [0,0,0,1,0,0|1,0,2]=4 11856 B12R1.272 C#CCCCCOCC1CCO1 7a_100000766709_100000103362 [0,0,0,1,0,0|1,0,2]=4 11857 B12R1.272 C#CCCCCSCC1CCC1 62a_100000763275_100010269958 [0,0,0,1,0,0|2,0,1]=4 11858 B12R1.272 C#CCCCCSCC1CCC1 62a_100010269958_100000763275 [0,0,0,1,0,0|2,0,1]=4 11859 B12R1.272 C#CCCCCSCC1CCO1 62a_100000103362_100010269958 [0,0,0,1,0,0|1,0,2]=4 11860 B12R1.272 C#CCCCCSCC1CCO1 62a_100010269958_100000103362 [0,0,0,1,0,0|1,0,2]=4 11861 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [0,0,0,1,0,0|2,0,1]=4 11862 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [0,0,0,1,0,0|2,0,1]=4 11863 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [0,0,0,1,0,0|2,0,1]=4 11864 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [0,0,0,1,0,0|2,0,1]=4 11865 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [0,0,0,1,0,0|2,0,1]=4 11866 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [0,0,0,1,0,0|2,0,1]=4 11867 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [0,0,0,1,0,0|2,0,1]=4 11868 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [0,0,0,1,0,0|2,0,1]=4 11869 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [0,0,0,1,0,0|2,0,1]=4 11870 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [0,0,0,1,0,0|2,0,1]=4 11871 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [0,0,0,1,0,0|2,0,1]=4 11872 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [0,0,0,1,0,0|1,0,2]=4 11873 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [0,0,0,1,0,0|1,0,2]=4 11874 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [0,0,0,1,0,0|1,0,2]=4 11875 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [0,0,0,1,0,0|1,0,2]=4 11876 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [0,0,0,1,0,0|2,0,1]=4 11877 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [0,0,0,1,0,0|2,0,1]=4 11878 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [0,0,0,1,0,0|2,0,1]=4 11879 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,0,0,1,0,0|1,0,2]=4 11880 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,0,0,1,0,0|1,0,2]=4 11881 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,0,0,1,0,0|1,0,2]=4 11882 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [0,0,0,1,0,0|2,0,1]=4 11883 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [0,0,0,1,0,0|2,0,1]=4 11884 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [0,0,0,1,0,0|1,0,2]=4 11885 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [0,0,0,1,0,0|1,0,2]=4 11886 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 2230a_100020831831_100015370543 [0,0,0,1,0,0|1,0,2]=4 11887 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 34a_100020831831_100015370543 [0,0,0,1,0,0|1,0,2]=4 11888 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100000039022_100015370543 [0,0,0,1,0,0|1,0,2]=4 11889 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100016288707_100000103362 [0,0,0,1,0,0|1,0,2]=4 11890 B12R1.272 CC/C=C\CCOCC1CCO1 7a_100016288707_100000103362 [0,0,0,1,0,0|1,0,2]=4 11891 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100000103362_100015370543 [0,0,0,1,0,0|1,0,2]=4 11892 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100015370543_100000103362 [0,0,0,1,0,0|1,0,2]=4 11893 B12R1.272 CC=CCCCOCC1CCO1 34a_100020645299_100000103362 [0,0,0,1,0,0|1,0,2]=4 11894 B12R1.272 CCC#CCCOCC1CCO1 34a_100000036655_100000103362 [0,0,0,1,0,0|1,0,2]=4 11895 B12R1.272 CCC#CCCOCC1CCO1 7a_100000036655_100000103362 [0,0,0,1,0,0|1,0,2]=4 11896 B12R1.272 CCC/C=C/COCC1CCO1 34a_100016278788_100000103362 [0,0,0,1,0,0|1,0,2]=4 11897 B12R1.272 CCC/C=C/COCC1CCO1 7a_100016278788_100000103362 [0,0,0,1,0,0|1,0,2]=4 11898 B12R1.272 CCCC#CCOCC1CCO1 34a_100000034806_100000103362 [0,0,0,1,0,0|1,0,2]=4 11899 B12R1.272 CCCC#CCOCC1CCO1 7a_100000034806_100000103362 [0,0,0,1,0,0|1,0,2]=4 11900 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,0,0,1,0,0|2,0,0]=3 11901 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [0,0,0,1,0,0|2,0,0]=3 11902 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [0,0,0,1,0,0|2,0,0]=3 11903 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [0,0,0,1,0,0|2,0,0]=3 11904 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [0,0,0,1,0,0|3,0,0]=4 11905 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,0,0,1,0,0|2,0,0]=3 11906 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,0,0,1,0,0|2,0,0]=3 11907 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,0,0,1,0,0|3,0,0]=4 11908 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,0,0,1,0,0|3,0,0]=4 11909 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,0,0,1,0,0|3,0,0]=4 11910 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [0,0,0,1,0,0|2,0,0]=3 11911 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [0,0,0,1,0,0|3,0,0]=4 11912 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [0,0,0,1,0,0|2,0,0]=3 11913 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [0,0,0,1,0,0|2,0,0]=3 11914 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [0,0,0,1,0,0|2,0,0]=3 11915 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [0,0,0,1,0,0|2,0,0]=3 11916 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,0,0,1,0,0|1,0,0]=2 11917 B12R1.272 CCCCCCNCC1COC1 2230a_100000210581_100010264016 [0,0,0,1,0,0|3,0,0]=4 11918 B12R1.272 CCCCCCNCC1COC1 2230a_100015281925_100000210314 [0,0,0,1,0,0|3,0,0]=4 11919 B12R1.272 CCCCCCNCC1COC1 34a_100015281925_100000210314 [0,0,0,1,0,0|3,0,0]=4 11920 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,0,0,1,0,0|1,0,0]=2 11921 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,0,0,1,0,0|1,0,0]=2 11922 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [0,0,0,1,0,0|2,0,0]=3 11923 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [0,0,0,1,0,0|2,0,0]=3 11924 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [0,0,0,1,0,0|2,0,0]=3 11925 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,0,0,1,0,0|1,0,0]=2 11926 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,0,0,1,0,0|1,0,0]=2 11927 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,0,0,1,0,0|1,0,0]=2 11928 B12R1.272 CCCCCCOCC1CNC1 34a_100016987283_100000210314 [0,0,0,1,0,0|3,0,0]=4 11929 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [0,0,0,1,0,0|3,0,0]=4 11930 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [0,0,0,1,0,0|3,0,0]=4 11931 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [0,0,0,1,0,0|3,0,0]=4 11932 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [0,0,0,1,0,0|2,0,0]=3 11933 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [0,0,0,1,0,0|2,0,0]=3 11934 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,0,0,1,0,0|1,0,0]=2 11935 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,0,0,1,0,0|1,0,0]=2 11936 B12R1.272 CCCCCCSCC1COC1 62a_100000210314_100010264016 [0,0,0,1,0,0|3,0,0]=4 11937 B12R1.272 CCCCCCSCC1COC1 62a_100010264016_100000210757 [0,0,0,1,0,0|3,0,0]=4 11938 B12R1.272 CCCCCOCCC1COC1 34a_100009855314_100000718602 [0,0,0,1,0,0|3,0,0]=4 11939 B12R1.272 CCCCOCCNC1CCC1 2230a_100000749019_100000743108 [0,0,0,1,0,0|3,0,0]=4 11940 B12R1.272 CCCCOCCNC1CCC1 34a_100000749019_100000743108 [0,0,0,1,0,0|3,0,0]=4 11941 B12R1.272 CCCCOCCOC1CCC1 34a_100000210238_100000749161 [0,0,0,1,0,0|3,0,0]=4 11942 B12R1.272 CCCCOCCOC1CCC1 34a_100000748187_100000743108 [0,0,0,1,0,0|3,0,0]=4 11943 B12R1.272 CCCCOCCSC1CCC1 62a_100000743108_100000749161 [0,0,0,1,0,0|3,0,0]=4 11944 B12R1.272 CCCCOCNCC1CCC1 2230a_100000738700_100011995733 [0,0,0,1,0,0|3,0,0]=4 11945 B12R1.272 CCCCOCNCC1CCC1 34a_100000738700_100011995733 [0,0,0,1,0,0|3,0,0]=4 11946 B12R1.272 CCCCOCNC[C@@H]1CCO1 2230a_100020831831_100011995733 [0,0,0,1,0,0|2,0,0]=3 11947 B12R1.272 CCCCOCNC[C@@H]1CCO1 34a_100020831831_100011995733 [0,0,0,1,0,0|2,0,0]=3 11948 B12R1.272 CCCCOCOCC1CCC1 34a_100000760304_100011995733 [0,0,0,1,0,0|3,0,0]=4 11949 B12R1.272 CCCCOCOCC1CCO1 34a_100000039022_100011995733 [0,0,0,1,0,0|2,0,0]=3 11950 B12R1.272 CCCCOCSCC1CCC1 62a_100000763275_100011995733 [0,0,0,1,0,0|3,0,0]=4 11951 B12R1.272 CCCCOCSCC1CCC1 62a_100011995733_100000763275 [0,0,0,1,0,0|3,0,0]=4 11952 B12R1.272 CCCCOCSCC1CCO1 62a_100000103362_100011995733 [0,0,0,1,0,0|2,0,0]=3 11953 B12R1.272 CCCCOCSCC1CCO1 62a_100011995733_100000103362 [0,0,0,1,0,0|2,0,0]=3 11954 B12R1.272 CCCCSCCNC1CCC1 270004a_100025743550_100000241760 [0,0,0,1,0,0|3,0,0]=4 11955 B12R1.272 CCCCSCCOC1CCC1 34a_200000230436_100000749161 [0,0,0,1,0,0|3,0,0]=4 11956 B12R1.272 CCCOCCCNC1CCC1 270004a_100011217757_100000241760 [0,0,0,1,0,0|3,0,0]=4 11957 B12R1.272 CCCOCCCNC1CCC1 34a_100011217757_100000749161 [0,0,0,1,0,0|3,0,0]=4 11958 B12R1.272 CCCOCCNCC1CCC1 2230a_100000738700_100011215938 [0,0,0,1,0,0|3,0,0]=4 11959 B12R1.272 CCCOCCNCC1CCC1 2230a_100161115042_100000763275 [0,0,0,1,0,0|3,0,0]=4 11960 B12R1.272 CCCOCCNCC1CCC1 269862a_100161115042_100000753134 [0,0,0,1,0,0|3,0,0]=4 11961 B12R1.272 CCCOCCNCC1CCC1 34a_100000738700_100011215938 [0,0,0,1,0,0|3,0,0]=4 11962 B12R1.272 CCCOCCNCC1CCC1 34a_100161115042_100000763275 [0,0,0,1,0,0|3,0,0]=4 11963 B12R1.272 CCCOCCNCC1CCO1 2230a_100161115042_100000103362 [0,0,0,1,0,0|2,0,0]=3 11964 B12R1.272 CCCOCCNCC1CCO1 34a_100161115042_100000103362 [0,0,0,1,0,0|2,0,0]=3 11965 B12R1.272 CCCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215938 [0,0,0,1,0,0|2,0,0]=3 11966 B12R1.272 CCCOCCNC[C@@H]1CCO1 34a_100020831831_100011215938 [0,0,0,1,0,0|2,0,0]=3 11967 B12R1.272 CCCOCCOCC1CCC1 34a_100000752267_100000763275 [0,0,0,1,0,0|3,0,0]=4 11968 B12R1.272 CCCOCCOCC1CCC1 34a_100000760304_100011215938 [0,0,0,1,0,0|3,0,0]=4 11969 B12R1.272 CCCOCCOCC1CCC1 7a_100000752267_100000763275 [0,0,0,1,0,0|3,0,0]=4 11970 B12R1.272 CCCOCCOCC1CCO1 34a_100000039022_100011215938 [0,0,0,1,0,0|2,0,0]=3 11971 B12R1.272 CCCOCCOCC1CCO1 34a_100000752267_100000103362 [0,0,0,1,0,0|2,0,0]=3 11972 B12R1.272 CCCOCCOCC1CCO1 7a_100000752267_100000103362 [0,0,0,1,0,0|2,0,0]=3 11973 B12R1.272 CCCOCCSCC1CCC1 62a_100000763275_100011215938 [0,0,0,1,0,0|3,0,0]=4 11974 B12R1.272 CCCOCCSCC1CCC1 62a_100011215938_100000763275 [0,0,0,1,0,0|3,0,0]=4 11975 B12R1.272 CCCOCCSCC1CCO1 62a_100000103362_100011215938 [0,0,0,1,0,0|2,0,0]=3 11976 B12R1.272 CCCOCCSCC1CCO1 62a_100011215938_100000103362 [0,0,0,1,0,0|2,0,0]=3 11977 B12R1.272 CCCSCCNCC1CCC1 2230a_100020603323_100000763275 [0,0,0,1,0,0|3,0,0]=4 11978 B12R1.272 CCCSCCNCC1CCC1 269862a_100020603323_100000753134 [0,0,0,1,0,0|3,0,0]=4 11979 B12R1.272 CCCSCCNCC1CCO1 2230a_100020603323_100000103362 [0,0,0,1,0,0|2,0,0]=3 11980 B12R1.272 CCCSCCOCC1CCC1 34a_200000230433_100000763275 [0,0,0,1,0,0|3,0,0]=4 11981 B12R1.272 CCCSCCOCC1CCC1 7a_200000230433_100000763275 [0,0,0,1,0,0|3,0,0]=4 11982 B12R1.272 CCCSCCOCC1CCO1 34a_200000230433_100000103362 [0,0,0,1,0,0|2,0,0]=3 11983 B12R1.272 CCCSCCOCC1CCO1 7a_200000230433_100000103362 [0,0,0,1,0,0|2,0,0]=3 11984 B12R1.272 CCOCCCNCC1CCC1 2230a_100000210961_100000763275 [0,0,0,1,0,0|3,0,0]=4 11985 B12R1.272 CCOCCCNCC1CCC1 2230a_100000738700_100012232248 [0,0,0,1,0,0|3,0,0]=4 11986 B12R1.272 CCOCCCNCC1CCC1 269862a_100000210961_100000753134 [0,0,0,1,0,0|3,0,0]=4 11987 B12R1.272 CCOCCCNCC1CCC1 34a_100000210961_100000763275 [0,0,0,1,0,0|3,0,0]=4 11988 B12R1.272 CCOCCCNCC1CCC1 34a_100000738700_100012232248 [0,0,0,1,0,0|3,0,0]=4 11989 B12R1.272 CCOCCCNCC1CCO1 2230a_100000210961_100000103362 [0,0,0,1,0,0|2,0,0]=3 11990 B12R1.272 CCOCCCNCC1CCO1 34a_100000210961_100000103362 [0,0,0,1,0,0|2,0,0]=3 11991 B12R1.272 CCOCCCNC[C@@H]1CCO1 2230a_100020831831_100012232248 [0,0,0,1,0,0|2,0,0]=3 11992 B12R1.272 CCOCCCNC[C@@H]1CCO1 34a_100020831831_100012232248 [0,0,0,1,0,0|2,0,0]=3 11993 B12R1.272 CCOCCCOCC1CCC1 34a_100000757476_100000763275 [0,0,0,1,0,0|3,0,0]=4 11994 B12R1.272 CCOCCCOCC1CCC1 34a_100000760304_100012232248 [0,0,0,1,0,0|3,0,0]=4 11995 B12R1.272 CCOCCCOCC1CCC1 7a_100000757476_100000763275 [0,0,0,1,0,0|3,0,0]=4 11996 B12R1.272 CCOCCCOCC1CCO1 34a_100000039022_100012232248 [0,0,0,1,0,0|2,0,0]=3 11997 B12R1.272 CCOCCCOCC1CCO1 34a_100000757476_100000103362 [0,0,0,1,0,0|2,0,0]=3 11998 B12R1.272 CCOCCCOCC1CCO1 7a_100000757476_100000103362 [0,0,0,1,0,0|2,0,0]=3 11999 B12R1.272 CCOCCCSCC1CCC1 62a_100000763275_100012232248 [0,0,0,1,0,0|3,0,0]=4 12000 B12R1.272 CCOCCCSCC1CCC1 62a_100012232248_100000763275 [0,0,0,1,0,0|3,0,0]=4 12001 B12R1.272 CCOCCCSCC1CCO1 62a_100000103362_100012232248 [0,0,0,1,0,0|2,0,0]=3 12002 B12R1.272 CCOCCCSCC1CCO1 62a_100012232248_100000103362 [0,0,0,1,0,0|2,0,0]=3 12003 B12R1.272 CCSCCCOCC1CCC1 34a_100011216438_100000763275 [0,0,0,1,0,0|3,0,0]=4 12004 B12R1.272 CCSCCCOCC1CCC1 7a_100011216438_100000763275 [0,0,0,1,0,0|3,0,0]=4 12005 B12R1.272 CCSCCCOCC1CCO1 34a_100011216438_100000103362 [0,0,0,1,0,0|2,0,0]=3 12006 B12R1.272 CCSCCCOCC1CCO1 7a_100011216438_100000103362 [0,0,0,1,0,0|2,0,0]=3 12007 B12R1.272 CNCCCCCOC1CCC1 34a_100000722520_100000749161 [0,0,0,1,0,0|3,0,0]=4 12008 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [0,0,0,1,0,0|3,0,0]=4 12009 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [0,0,0,1,0,0|3,0,0]=4 12010 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [0,0,0,1,0,0|3,0,0]=4 12011 B12R1.272 COCCCCNCC1CCC1 2230a_100000738700_100000730899 [0,0,0,1,0,0|3,0,0]=4 12012 B12R1.272 COCCCCNCC1CCC1 34a_100000738700_100000755781 [0,0,0,1,0,0|3,0,0]=4 12013 B12R1.272 COCCCCNC[C@@H]1CCO1 2230a_100020831831_100000730899 [0,0,0,1,0,0|2,0,0]=3 12014 B12R1.272 COCCCCNC[C@@H]1CCO1 34a_100020831831_100000755781 [0,0,0,1,0,0|2,0,0]=3 12015 B12R1.272 COCCCCOCC1CCC1 34a_100000740925_100000763275 [0,0,0,1,0,0|3,0,0]=4 12016 B12R1.272 COCCCCOCC1CCC1 34a_100000760304_100000755781 [0,0,0,1,0,0|3,0,0]=4 12017 B12R1.272 COCCCCOCC1CCO1 34a_100000039022_100000755781 [0,0,0,1,0,0|2,0,0]=3 12018 B12R1.272 COCCCCOCC1CCO1 34a_100000740925_100000103362 [0,0,0,1,0,0|2,0,0]=3 12019 B12R1.272 COCCCCSCC1CCC1 62a_100000730899_100000763275 [0,0,0,1,0,0|3,0,0]=4 12020 B12R1.272 COCCCCSCC1CCC1 62a_100000763275_100000730899 [0,0,0,1,0,0|3,0,0]=4 12021 B12R1.272 COCCCCSCC1CCO1 62a_100000103362_100000730899 [0,0,0,1,0,0|2,0,0]=3 12022 B12R1.272 COCCCCSCC1CCO1 62a_100000730899_100000103362 [0,0,0,1,0,0|2,0,0]=3 12023 B12R1.272 COCCOCNC[C@@H]1CCO1 2230a_100020831831_100000231047 [0,0,0,1,0,0|3,0,0]=4 12024 B12R1.272 COCCOCSCC1CCO1 62a_100000103362_100000231047 [0,0,0,1,0,0|3,0,0]=4 12025 B12R1.272 COCCOCSCC1CCO1 62a_100000231047_100000103362 [0,0,0,1,0,0|3,0,0]=4 12026 B12R1.272 CSCCCCOCC1CCC1 34a_100011217163_100000763275 [0,0,0,1,0,0|3,0,0]=4 12027 B12R1.272 CSCCCCOCC1CCC1 7a_100011217163_100000763275 [0,0,0,1,0,0|3,0,0]=4 12028 B12R1.272 CSCCCCOCC1CCO1 34a_100011217163_100000103362 [0,0,0,1,0,0|2,0,0]=3 12029 B12R1.272 CSCCCCOCC1CCO1 7a_100011217163_100000103362 [0,0,0,1,0,0|2,0,0]=3 12030 B12R1.272 ClCCCCCCOC1CCC1 34a_100000766143_100000749161 [0,0,0,1,0,0|2,0,0]=3 12031 B12R1.272 ClCCCCCCOC1COC1 34a_100000766143_100009818527 [0,0,0,1,0,0|3,0,0]=4 12032 B12R1.272 ClCCCCCCOC1COC1 7a_100000766143_100009818527 [0,0,0,1,0,0|3,0,0]=4 12033 B12R1.272 ClCCCCCOCC1CCC1 34a_100000746330_100000763275 [0,0,0,1,0,0|2,0,0]=3 12034 B12R1.272 ClCCCCCOCC1CCC1 7a_100000746330_100000763275 [0,0,0,1,0,0|2,0,0]=3 12035 B12R1.272 ClCCCCCOCC1CCO1 34a_100000746330_100000103362 [0,0,0,1,0,0|2,0,0]=3 12036 B12R1.272 ClCCCCCOCC1CCO1 7a_100000746330_100000103362 [0,0,0,1,0,0|2,0,0]=3 12037 B12R1.272 ClCCCCCOCC1COC1 34a_100000746330_100010264016 [0,0,0,1,0,0|3,0,0]=4 12038 B12R1.272 ClCCCCCOCC1COC1 7a_100000746330_100010264016 [0,0,0,1,0,0|3,0,0]=4 12039 B12R1.272 ClCCOCCOCC1CCC1 34a_100011215305_100000763275 [0,0,0,1,0,0|3,0,0]=4 12040 B12R1.272 ClCCOCCOCC1CCC1 7a_100011215305_100000763275 [0,0,0,1,0,0|3,0,0]=4 12041 B12R1.272 ClCCOCCOCC1CCO1 34a_100011215305_100000103362 [0,0,0,1,0,0|3,0,0]=4 12042 B12R1.272 ClCCOCCOCC1CCO1 7a_100011215305_100000103362 [0,0,0,1,0,0|3,0,0]=4 12043 B12R1.272 FCCCCCCNC1CCC1 2230a_100000749019_100015922095 [0,0,0,1,0,0|2,0,0]=3 12044 B12R1.272 FCCCCCCNC1CCC1 34a_100000749019_100015922095 [0,0,0,1,0,0|2,0,0]=3 12045 B12R1.272 FCCCCCCNC1COC1 2230a_100016991112_100015922095 [0,0,0,1,0,0|3,0,0]=4 12046 B12R1.272 FCCCCCCOC1CCC1 34a_100000732779_100000749161 [0,0,0,1,0,0|2,0,0]=3 12047 B12R1.272 FCCCCCCOC1CCC1 34a_100000748187_100015922095 [0,0,0,1,0,0|2,0,0]=3 12048 B12R1.272 FCCCCCCOC1COC1 34a_100000732779_100009818527 [0,0,0,1,0,0|3,0,0]=4 12049 B12R1.272 FCCCCCCOC1COC1 7a_100000732779_100009818527 [0,0,0,1,0,0|3,0,0]=4 12050 B12R1.272 FCCCCCCOC1CSC1 7a_100000072292_100015922095 [0,0,0,1,0,0|3,0,0]=4 12051 B12R1.272 FCCCCCCSC1CCC1 62a_100015922095_100000749161 [0,0,0,1,0,0|2,0,0]=3 12052 B12R1.272 FCCCCCCSC1COC1 62a_100015922095_100009818527 [0,0,0,1,0,0|3,0,0]=4 12053 B12R1.272 FCCCCCNCC1CCC1 2230a_100000738700_100000729378 [0,0,0,1,0,0|2,0,0]=3 12054 B12R1.272 FCCCCCNCC1CCC1 34a_100000738700_100000729378 [0,0,0,1,0,0|2,0,0]=3 12055 B12R1.272 FCCCCCNCC1COC1 2230a_100015281925_100000729378 [0,0,0,1,0,0|3,0,0]=4 12056 B12R1.272 FCCCCCNCC1COC1 34a_100015281925_100000729378 [0,0,0,1,0,0|3,0,0]=4 12057 B12R1.272 FCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729378 [0,0,0,1,0,0|2,0,0]=3 12058 B12R1.272 FCCCCCNC[C@@H]1CCO1 34a_100020831831_100000729378 [0,0,0,1,0,0|2,0,0]=3 12059 B12R1.272 FCCCCCOCC1CCC1 34a_100000760304_100000729378 [0,0,0,1,0,0|2,0,0]=3 12060 B12R1.272 FCCCCCOCC1CCO1 34a_100000039022_100000729378 [0,0,0,1,0,0|2,0,0]=3 12061 B12R1.272 FCCCCCOCC1CNC1 34a_100016987283_100000729378 [0,0,0,1,0,0|3,0,0]=4 12062 B12R1.272 FCCCCCOCC1COC1 34a_100000060846_100000729378 [0,0,0,1,0,0|3,0,0]=4 12063 B12R1.272 FCCCCCSCC1CCC1 62a_100000729378_100000763275 [0,0,0,1,0,0|2,0,0]=3 12064 B12R1.272 FCCCCCSCC1CCC1 62a_100000763275_100000729378 [0,0,0,1,0,0|2,0,0]=3 12065 B12R1.272 FCCCCCSCC1CCO1 62a_100000103362_100000729378 [0,0,0,1,0,0|2,0,0]=3 12066 B12R1.272 FCCCCCSCC1CCO1 62a_100000729378_100000103362 [0,0,0,1,0,0|2,0,0]=3 12067 B12R1.272 FCCCCCSCC1COC1 62a_100000729378_100010264016 [0,0,0,1,0,0|3,0,0]=4 12068 B12R1.272 FCCCCCSCC1COC1 62a_100010264016_100000729378 [0,0,0,1,0,0|3,0,0]=4 12069 B12R1.272 FCCCCOCCC1COC1 34a_100009855314_100000729493 [0,0,0,1,0,0|3,0,0]=4 12070 B12R1.272 FCCOCCOCC1CCC1 34a_200015357709_100000763275 [0,0,0,1,0,0|3,0,0]=4 12071 B12R1.272 FCCOCCOCC1CCC1 7a_200015357709_100000763275 [0,0,0,1,0,0|3,0,0]=4 12072 B12R1.272 FCCOCCOCC1CCO1 34a_200015357709_100000103362 [0,0,0,1,0,0|3,0,0]=4 12073 B12R1.272 FCCOCCOCC1CCO1 7a_200015357709_100000103362 [0,0,0,1,0,0|3,0,0]=4 12074 B12R1.272 ICCCCCOCC1CCC1 34a_200012148887_100000763275 [0,0,0,1,0,0|2,0,0]=3 12075 B12R1.272 ICCCCCOCC1CCC1 7a_200012148887_100000763275 [0,0,0,1,0,0|2,0,0]=3 12076 B12R1.272 ICCCCCOCC1CCO1 34a_200012148887_100000103362 [0,0,0,1,0,0|2,0,0]=3 12077 B12R1.272 ICCCCCOCC1CCO1 7a_200012148887_100000103362 [0,0,0,1,0,0|2,0,0]=3 12078 B12R1.272 ICCCCCOCC1COC1 34a_200012148887_100010264016 [0,0,0,1,0,0|3,0,0]=4 12079 B12R1.272 ICCCCCOCC1COC1 7a_200012148887_100010264016 [0,0,0,1,0,0|3,0,0]=4 12080 B12R1.272 ICCOCCOCC1CCC1 34a_100012149058_100000763275 [0,0,0,1,0,0|3,0,0]=4 12081 B12R1.272 ICCOCCOCC1CCC1 7a_100012149058_100000763275 [0,0,0,1,0,0|3,0,0]=4 12082 B12R1.272 ICCOCCOCC1CCO1 34a_100012149058_100000103362 [0,0,0,1,0,0|3,0,0]=4 12083 B12R1.272 ICCOCCOCC1CCO1 7a_100012149058_100000103362 [0,0,0,1,0,0|3,0,0]=4 12084 B12R1.272 N#CCCCCCCN1CCC1 269982a_100000754969_100009813337 [0,0,0,1,0,0|2,0,1]=4 12085 B12R1.272 N#CCCCCCNC1CCC1 2230a_100000749019_100009813376 [0,0,0,1,0,0|2,0,1]=4 12086 B12R1.272 N#CCCCCCNC1CCC1 270004a_100000061152_100000241760 [0,0,0,1,0,0|2,0,1]=4 12087 B12R1.272 N#CCCCCCSC1CCC1 62a_100009813376_100000749161 [0,0,0,1,0,0|2,0,1]=4 12088 B12R1.272 N#CCCCCNCC1CCC1 2230a_100000738700_100000211819 [0,0,0,1,0,0|2,0,1]=4 12089 B12R1.272 N#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000211819 [0,0,0,1,0,0|2,0,1]=4 12090 B12R1.272 N#CCCCCSCC1CCC1 62a_100000763275_100000211819 [0,0,0,1,0,0|2,0,1]=4 12091 B12R1.272 N#CCCCCSCC1CCC1 62a_100011219923_100000763275 [0,0,0,1,0,0|2,0,1]=4 12092 B12R1.272 N#CCCCCSCC1CCO1 62a_100000103362_100000211819 [0,0,0,1,0,0|2,0,1]=4 12093 B12R1.272 N#CCCCCSCC1CCO1 62a_100011219923_100000103362 [0,0,0,1,0,0|2,0,1]=4 12094 B12R1.272 NCCCCCCOC1CCC1 34a_100000686447_100000749161 [0,0,0,1,0,0|2,0,0]=3 12095 B12R1.272 NCCCCCCOC1COC1 34a_100000686447_100009818527 [0,0,0,1,0,0|3,0,0]=4 12096 B12R1.272 NCCCCCOCC1CCC1 34a_100000762737_100000763275 [0,0,0,1,0,0|2,0,0]=3 12097 B12R1.272 NCCCCCOCC1CCO1 34a_100000762737_100000103362 [0,0,0,1,0,0|2,0,0]=3 12098 B12R1.272 NCCCCCOCC1COC1 34a_100000762737_100010264016 [0,0,0,1,0,0|3,0,0]=4 12099 B12R1.272 NCCOCCOCC1CCC1 34a_100000211614_100000763275 [0,0,0,1,0,0|3,0,0]=4 12100 B12R1.272 NCCOCCOCC1CCO1 34a_100000211614_100000103362 [0,0,0,1,0,0|3,0,0]=4 12101 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [0,0,0,1,0,0|1,0,2]=4 12102 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [0,0,0,1,0,0|1,0,2]=4 12103 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [0,0,0,1,0,0|1,0,2]=4 12104 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [0,0,0,1,0,0|2,0,1]=4 12105 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [0,0,0,1,0,0|1,0,2]=4 12106 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [0,0,0,1,0,0|1,0,2]=4 12107 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [0,0,0,1,0,0|2,0,1]=4 12108 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [0,0,0,1,0,0|2,0,1]=4 12109 B12R1.272 OCCCCC=NNC1CCC1 4a_100000736358_100000031955 [0,0,0,1,0,0|2,0,1]=4 12110 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,0,0,1,0,0|1,0,0]=2 12111 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,0,0,1,0,0|1,0,0]=2 12112 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,0,0,1,0,0|1,0,0]=2 12113 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,0,0,1,0,0|1,0,0]=2 12114 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,0,0,1,0,0|1,0,0]=2 12115 B12R1.272 OCCCCCCNC1COC1 2230a_100016991112_100000766143 [0,0,0,1,0,0|2,0,0]=3 12116 B12R1.272 OCCCCCCNC1COC1 34a_100000686447_100009818527 [0,0,0,1,0,0|2,0,0]=3 12117 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,0,0,1,0,0|1,0,0]=2 12118 B12R1.272 OCCCCCCOC1CSC1 7a_100000072292_100000766143 [0,0,0,1,0,0|2,0,0]=3 12119 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,0,0,1,0,0|1,0,0]=2 12120 B12R1.272 OCCCCCCSC1COC1 62a_100000766143_100009818527 [0,0,0,1,0,0|2,0,0]=3 12121 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,0,0,1,0,0|1,0,0]=2 12122 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,0,0,1,0,0|1,0,0]=2 12123 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,0,0,1,0,0|1,0,0]=2 12124 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,0,0,1,0,0|1,0,0]=2 12125 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,0,0,1,0,0|1,0,0]=2 12126 B12R1.272 OCCCCCNCC1CCO1 2230a_100000762737_100000103362 [0,0,0,1,0,0|2,0,0]=3 12127 B12R1.272 OCCCCCNCC1CCO1 34a_100000762737_100000103362 [0,0,0,1,0,0|2,0,0]=3 12128 B12R1.272 OCCCCCNCC1COC1 2230a_100000762737_100010264016 [0,0,0,1,0,0|2,0,0]=3 12129 B12R1.272 OCCCCCNCC1COC1 2230a_100015281925_100000746330 [0,0,0,1,0,0|2,0,0]=3 12130 B12R1.272 OCCCCCNCC1COC1 34a_100000762737_100010264016 [0,0,0,1,0,0|2,0,0]=3 12131 B12R1.272 OCCCCCNCC1COC1 34a_100015281925_100000746330 [0,0,0,1,0,0|2,0,0]=3 12132 B12R1.272 OCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000746330 [0,0,0,1,0,0|2,0,0]=3 12133 B12R1.272 OCCCCCNC[C@@H]1CCO1 34a_100020831831_100000746330 [0,0,0,1,0,0|2,0,0]=3 12134 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,0,0,1,0,0|1,0,0]=2 12135 B12R1.272 OCCCCCOCC1CCO1 34a_100000039022_100000746330 [0,0,0,1,0,0|2,0,0]=3 12136 B12R1.272 OCCCCCOCC1CNC1 34a_100016987283_100000746330 [0,0,0,1,0,0|2,0,0]=3 12137 B12R1.272 OCCCCCOCC1COC1 34a_100000060846_100000746330 [0,0,0,1,0,0|2,0,0]=3 12138 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,0,0,1,0,0|1,0,0]=2 12139 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,0,0,1,0,0|1,0,0]=2 12140 B12R1.272 OCCCCCSCC1CCO1 62a_100000103362_100000746330 [0,0,0,1,0,0|2,0,0]=3 12141 B12R1.272 OCCCCCSCC1CCO1 62a_100000746330_100000103362 [0,0,0,1,0,0|2,0,0]=3 12142 B12R1.272 OCCCCCSCC1COC1 62a_100000746330_100010264016 [0,0,0,1,0,0|2,0,0]=3 12143 B12R1.272 OCCCCCSCC1COC1 62a_100010264016_100000746330 [0,0,0,1,0,0|2,0,0]=3 12144 B12R1.272 OCCCCOCCC1COC1 34a_100009855314_100011216708 [0,0,0,1,0,0|2,0,0]=3 12145 B12R1.272 OCCOCCNCC1CCC1 2230a_100000211614_100000763275 [0,0,0,1,0,0|2,0,0]=3 12146 B12R1.272 OCCOCCNCC1CCC1 2230a_100000738700_100011215305 [0,0,0,1,0,0|2,0,0]=3 12147 B12R1.272 OCCOCCNCC1CCC1 269862a_100000211614_100000753134 [0,0,0,1,0,0|2,0,0]=3 12148 B12R1.272 OCCOCCNCC1CCC1 34a_100000211614_100000763275 [0,0,0,1,0,0|2,0,0]=3 12149 B12R1.272 OCCOCCNCC1CCC1 34a_100000738700_100000692535 [0,0,0,1,0,0|2,0,0]=3 12150 B12R1.272 OCCOCCNCC1CCO1 2230a_100000211614_100000103362 [0,0,0,1,0,0|3,0,0]=4 12151 B12R1.272 OCCOCCNCC1CCO1 34a_100000211614_100000103362 [0,0,0,1,0,0|3,0,0]=4 12152 B12R1.272 OCCOCCNCC1COC1 2230a_100000211614_100010264016 [0,0,0,1,0,0|3,0,0]=4 12153 B12R1.272 OCCOCCNCC1COC1 2230a_100015281925_100011215305 [0,0,0,1,0,0|3,0,0]=4 12154 B12R1.272 OCCOCCNCC1COC1 34a_100000211614_100010264016 [0,0,0,1,0,0|3,0,0]=4 12155 B12R1.272 OCCOCCNCC1COC1 34a_100015281925_100000692535 [0,0,0,1,0,0|3,0,0]=4 12156 B12R1.272 OCCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215305 [0,0,0,1,0,0|3,0,0]=4 12157 B12R1.272 OCCOCCNC[C@@H]1CCO1 34a_100020831831_100000692535 [0,0,0,1,0,0|3,0,0]=4 12158 B12R1.272 OCCOCCOCC1CCC1 34a_100000760304_100000692535 [0,0,0,1,0,0|2,0,0]=3 12159 B12R1.272 OCCOCCOCC1CCO1 34a_100000039022_100000692535 [0,0,0,1,0,0|3,0,0]=4 12160 B12R1.272 OCCOCCOCC1CNC1 34a_100016987283_100000692535 [0,0,0,1,0,0|3,0,0]=4 12161 B12R1.272 OCCOCCOCC1COC1 34a_100000060846_100000692535 [0,0,0,1,0,0|3,0,0]=4 12162 B12R1.272 OCCOCCSCC1CCC1 62a_100000763275_100011215305 [0,0,0,1,0,0|2,0,0]=3 12163 B12R1.272 OCCOCCSCC1CCC1 62a_100011215305_100000763275 [0,0,0,1,0,0|2,0,0]=3 12164 B12R1.272 OCCOCCSCC1CCO1 62a_100000103362_100011215305 [0,0,0,1,0,0|3,0,0]=4 12165 B12R1.272 OCCOCCSCC1CCO1 62a_100011215305_100000103362 [0,0,0,1,0,0|3,0,0]=4 12166 B12R1.272 OCCOCCSCC1COC1 62a_100010264016_100011215305 [0,0,0,1,0,0|3,0,0]=4 12167 B12R1.272 OCCOCCSCC1COC1 62a_100011215305_100010264016 [0,0,0,1,0,0|3,0,0]=4 12168 B12R1.272 OCCSCCNCC1CCC1 2230a_100011219999_100000763275 [0,0,0,1,0,0|2,0,0]=3 12169 B12R1.272 OCCSCCNCC1CCC1 269862a_100011219999_100000753134 [0,0,0,1,0,0|2,0,0]=3 12170 B12R1.272 OCCSCCNCC1CCO1 2230a_100011219999_100000103362 [0,0,0,1,0,0|3,0,0]=4 12171 B12R1.272 OCCSCCNCC1COC1 2230a_100011219999_100010264016 [0,0,0,1,0,0|3,0,0]=4 12172 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [0,0,0,1,0,0|2,0,1]=4 12173 B12R1.320 CCCC1CCCC1NCCF 269862a_100000724931_100000723119 [0,0,0,1,0,0|2,0,0]=3 12174 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [0,0,0,1,0,0|1,0,0]=2 12175 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [0,0,0,1,0,0|1,0,0]=2 12176 B12R1.320 CCCCC1C=CCN1CCO 2230a_100015184376_100000211926 [0,0,0,1,0,0|1,0,2]=4 12177 B12R1.320 CCCCC1C=CCN1CCO 269982a_100015184376_100000211926 [0,0,0,1,0,0|1,0,2]=4 12178 B12R1.320 CCCCC1C=CCN1CCO 34a_100015184376_100000211926 [0,0,0,1,0,0|1,0,2]=4 12179 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [0,0,0,1,0,0|2,0,0]=3 12180 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [0,0,0,1,0,0|2,0,0]=3 12181 B12R1.320 CCCCN1CCC[C@H]1COC 2230a_100020646714_100000210211 [0,0,0,1,0,0|3,0,0]=4 12182 B12R1.320 CCCCN1CCC[C@H]1COC 269982a_100020646714_100000210211 [0,0,0,1,0,0|3,0,0]=4 12183 B12R1.320 CCCCN1CCC[C@H]1COC 34a_100020646714_100000210210 [0,0,0,1,0,0|3,0,0]=4 12184 B12R1.320 CCCN1CCCC1COCC 34a_200000694710_100000210202 [0,0,0,1,0,0|3,0,0]=4 12185 B12R1.320 CCCN1CCCC1COCC 7a_200000694710_100000210202 [0,0,0,1,0,0|3,0,0]=4 12186 B12R1.320 CCCN1CCCC1COCF 34a_200000694710_100015361967 [0,0,0,1,0,0|3,0,0]=4 12187 B12R1.320 CCCN1CCCC1COCF 7a_200000694710_100015361967 [0,0,0,1,0,0|3,0,0]=4 12188 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [0,0,0,1,0,0|2,0,0]=3 12189 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [0,0,0,1,0,0|2,0,0]=3 12190 B12R1.320 CCNC1CCCC1CCC#N 270004a_100015525214_100000073560 [0,0,0,1,0,0|2,0,1]=4 12191 B12R1.320 COC[C@@H]1CCCN1CCCF 2230a_100020646714_100011934791 [0,0,0,1,0,0|3,0,0]=4 12192 B12R1.320 COC[C@@H]1CCCN1CCCF 269982a_100020646714_100011934791 [0,0,0,1,0,0|3,0,0]=4 12193 B12R1.320 COC[C@@H]1CCCN1CCCF 34a_100020646714_100011934791 [0,0,0,1,0,0|3,0,0]=4 12194 B12R1.320 COC[C@@H]1CCCN1CCCO 2230a_100020646714_100000230001 [0,0,0,1,0,0|2,0,0]=3 12195 B12R1.320 COC[C@@H]1CCCN1CCCO 269982a_100020646714_100011215043 [0,0,0,1,0,0|2,0,0]=3 12196 B12R1.320 COC[C@@H]1CCCN1CCCO 34a_100020646714_100000230001 [0,0,0,1,0,0|2,0,0]=3 12197 B12R1.329 C#CCCN1CCCCCCC1 2230a_100000211400_100000688953 [0,0,0,1,0,0|2,0,1]=4 12198 B12R1.329 C#CCCN1CCCCCCC1 269982a_100000211400_100000730999 [0,0,0,1,0,0|2,0,1]=4 12199 B12R1.329 C#CCCN1CCCCCCC1 34a_100000211400_100000688953 [0,0,0,1,0,0|2,0,1]=4 12200 B12R1.329 C#CCNC1CCCCCCC1 2230a_100000211152_100000038162 [0,0,0,1,0,0|2,0,1]=4 12201 B12R1.329 C#CCNC1CCCCCCC1 34a_100000211152_100000184674 [0,0,0,1,0,0|2,0,1]=4 12202 B12R1.329 C#CCOC1CCCCCCC1 34a_100000210054_100000184674 [0,0,0,1,0,0|2,0,1]=4 12203 B12R1.329 C#CCOC1CCCCCCC1 7a_100000210054_100000038162 [0,0,0,1,0,0|2,0,1]=4 12204 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [0,0,0,1,0,0|2,0,1]=4 12205 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [0,0,0,1,0,0|2,0,1]=4 12206 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [0,0,0,1,0,0|2,0,1]=4 12207 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [0,0,0,1,0,0|2,0,1]=4 12208 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [0,0,0,1,0,0|2,0,1]=4 12209 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [0,0,0,1,0,0|2,0,1]=4 12210 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,0,0,1,0,0|2,0,1]=4 12211 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,0,0,1,0,0|2,0,1]=4 12212 B12R1.329 CCCCN1CCCCCCC1 2230a_100000211400_100000210211 [0,0,0,1,0,0|2,0,0]=3 12213 B12R1.329 CCCCN1CCCCCCC1 269982a_100000211400_100000210211 [0,0,0,1,0,0|2,0,0]=3 12214 B12R1.329 CCCCN1CCCCCCC1 34a_100000211400_100000210210 [0,0,0,1,0,0|2,0,0]=3 12215 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [0,0,0,1,0,0|2,0,0]=3 12216 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [0,0,0,1,0,0|2,0,0]=3 12217 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [0,0,0,1,0,0|2,0,0]=3 12218 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,0,0,1,0,0|2,0,1]=4 12219 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,0,0,1,0,0|2,0,0]=3 12220 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,0,0,1,0,0|2,0,0]=3 12221 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [0,0,0,1,0,0|2,0,0]=3 12222 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [0,0,0,1,0,0|2,0,0]=3 12223 B12R1.329 CCOCN1CCCCCCC1 269982a_100000211400_100000739092 [0,0,0,1,0,0|3,0,0]=4 12224 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [0,0,0,1,0,0|2,0,0]=3 12225 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [0,0,0,1,0,0|2,0,0]=3 12226 B12R1.329 COCCN1CCCCCCC1 2230a_100000211400_100011201679 [0,0,0,1,0,0|3,0,0]=4 12227 B12R1.329 COCCN1CCCCCCC1 269982a_100000211400_100000233755 [0,0,0,1,0,0|3,0,0]=4 12228 B12R1.329 COCCN1CCCCCCC1 34a_100000211400_100011201679 [0,0,0,1,0,0|3,0,0]=4 12229 B12R1.329 COCNC1CCCCCCC1 2230a_100000211152_100000766300 [0,0,0,1,0,0|3,0,0]=4 12230 B12R1.329 CSCCN1CCCCCCC1 2230a_100000211400_100000751147 [0,0,0,1,0,0|3,0,0]=4 12231 B12R1.329 CSCCN1CCCCCCC1 269982a_100000211400_100000212216 [0,0,0,1,0,0|3,0,0]=4 12232 B12R1.329 CSCCN1CCCCCCC1 34a_100000211400_100000212216 [0,0,0,1,0,0|3,0,0]=4 12233 B12R1.329 CSCNC1CCCCCCC1 2230a_100000211152_100011218213 [0,0,0,1,0,0|3,0,0]=4 12234 B12R1.329 CSCNC1CCCCCCC1 34a_100000211152_100011218213 [0,0,0,1,0,0|3,0,0]=4 12235 B12R1.329 CSCOC1CCCCCCC1 34a_100000210054_100011218213 [0,0,0,1,0,0|3,0,0]=4 12236 B12R1.329 FCCCN1CCCCCCC1 2230a_100000211400_100011934791 [0,0,0,1,0,0|2,0,0]=3 12237 B12R1.329 FCCCN1CCCCCCC1 269982a_100000211400_100011934791 [0,0,0,1,0,0|2,0,0]=3 12238 B12R1.329 FCCCN1CCCCCCC1 34a_100000211400_100011934791 [0,0,0,1,0,0|2,0,0]=3 12239 B12R1.329 FCCNC1CCCCCCC1 2230a_100000211152_100011217306 [0,0,0,1,0,0|2,0,0]=3 12240 B12R1.329 FCCNC1CCCCCCC1 34a_100000211152_100011217306 [0,0,0,1,0,0|2,0,0]=3 12241 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [0,0,0,1,0,0|2,0,0]=3 12242 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [0,0,0,1,0,0|2,0,0]=3 12243 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [0,0,0,1,0,0|2,0,0]=3 12244 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [0,0,0,1,0,0|2,0,0]=3 12245 B12R1.329 N#CCCN1CCCCCCC1 2230a_100000211400_100011215226 [0,0,0,1,0,0|2,0,1]=4 12246 B12R1.329 N#CCCN1CCCCCCC1 269982a_100000211400_100011215226 [0,0,0,1,0,0|2,0,1]=4 12247 B12R1.329 N#CCNC1CCCCCCC1 2230a_100000211152_100011215382 [0,0,0,1,0,0|2,0,1]=4 12248 B12R1.329 N#CCOC1CCCCCCC1 7a_100000210054_100011215382 [0,0,0,1,0,0|2,0,1]=4 12249 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [0,0,0,1,0,0|1,0,2]=4 12250 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [0,0,0,1,0,0|1,0,2]=4 12251 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,0,0,1,0,0|1,0,2]=4 12252 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,0,0,1,0,0|1,0,2]=4 12253 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [0,0,0,1,0,0|1,0,0]=2 12254 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [0,0,0,1,0,0|1,0,0]=2 12255 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [0,0,0,1,0,0|1,0,0]=2 12256 B12R1.329 OCCNC1CC/C=C\CCC1 34a_100016990907_100021000466 [0,0,0,1,0,0|1,0,2]=4 12257 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [0,0,0,1,0,0|1,0,0]=2 12258 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [0,0,0,1,0,0|1,0,0]=2 12259 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [0,0,0,1,0,0|1,0,0]=2 12260 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [0,0,0,1,0,0|1,0,2]=4 12261 B12R1.329 OCCOC1CC/C=C\CCC1 34a_100016989180_100000211926 [0,0,0,1,0,0|1,0,2]=4 12262 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,0,0,1,0,0|1,0,0]=2 12263 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,0,0,1,0,0|1,0,0]=2 12264 B12R1.329 OCCSC1CC/C=C\CCC1 62a_100000211926_100021000466 [0,0,0,1,0,0|1,0,2]=4 12265 B12R1.329 OCCSC1CC/C=C\CCC1 62a_100021000466_100000211926 [0,0,0,1,0,0|1,0,2]=4 12266 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [0,0,0,1,0,0|2,0,0]=3 12267 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [0,0,0,1,0,0|2,0,0]=3 12268 B12R1.372 C#CCCCCN1CCC[C@@H]1C 2230a_100020605311_100010269958 [0,0,0,1,0,0|2,0,1]=4 12269 B12R1.372 C#CCCCCN1CCC[C@@H]1C 269982a_100020605311_100010269958 [0,0,0,1,0,0|2,0,1]=4 12270 B12R1.372 C#CCCCCN1CCC[C@H]1C 2230a_100015189458_100010269958 [0,0,0,1,0,0|2,0,1]=4 12271 B12R1.372 C#CCCCCN1CCC[C@H]1C 269982a_100015189458_100010269958 [0,0,0,1,0,0|2,0,1]=4 12272 B12R1.372 C#CCCCCN1CCC[C@H]1C 34a_100015189458_100010269958 [0,0,0,1,0,0|2,0,1]=4 12273 B12R1.372 C#CCCCOC1CCCC1C 34a_100011216460_100000695029 [0,0,0,1,0,0|2,0,1]=4 12274 B12R1.372 C#CCCCOC1CCCC1C 7a_100011216460_100011215417 [0,0,0,1,0,0|2,0,1]=4 12275 B12R1.372 C#CCCCS[C@@H]1CCC[C@H]1O 62a_100011215417_200016002552 [0,0,0,1,0,0|1,0,2]=4 12276 B12R1.372 C#CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215417 [0,0,0,1,0,0|1,0,2]=4 12277 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [0,0,0,1,0,0|2,0,1]=4 12278 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [0,0,0,1,0,0|2,0,1]=4 12279 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [0,0,0,1,0,0|2,0,1]=4 12280 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [0,0,0,1,0,0|2,0,1]=4 12281 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [0,0,0,1,0,0|2,0,1]=4 12282 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [0,0,0,1,0,0|2,0,1]=4 12283 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [0,0,0,1,0,0|2,0,1]=4 12284 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [0,0,0,1,0,0|2,0,1]=4 12285 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_100011713584_200016002552 [0,0,0,1,0,0|1,0,2]=4 12286 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757094 [0,0,0,1,0,0|1,0,2]=4 12287 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_100103147603_200016002552 [0,0,0,1,0,0|1,0,2]=4 12288 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_200016002552_100103147603 [0,0,0,1,0,0|1,0,2]=4 12289 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [0,0,0,1,0,0|1,0,0]=2 12290 B12R1.372 CC1CCCC1OCC#CCO 34a_100011216460_200000047223 [0,0,0,1,0,0|1,0,2]=4 12291 B12R1.372 CC1CCCC1OCC#CCO 7a_100011216460_200000047223 [0,0,0,1,0,0|1,0,2]=4 12292 B12R1.372 CC1CCCC1OCCCC#N 7a_100011216460_100000687738 [0,0,0,1,0,0|2,0,1]=4 12293 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [0,0,0,1,0,0|1,0,2]=4 12294 B12R1.372 CC1CCCC1OCCCCF 34a_100011216460_100000729493 [0,0,0,1,0,0|2,0,0]=3 12295 B12R1.372 CC1CCCC1OCCCCF 7a_100011216460_100000729493 [0,0,0,1,0,0|2,0,0]=3 12296 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [0,0,0,1,0,0|1,0,0]=2 12297 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [0,0,0,1,0,0|1,0,0]=2 12298 B12R1.372 CC1OCCC1NCCCCO 270004a_100000750430_100000691750 [0,0,0,1,0,0|2,0,0]=3 12299 B12R1.372 CC1SCCN1CCCCCF 2230a_200011216479_100000729378 [0,0,0,1,0,0|3,0,0]=4 12300 B12R1.372 CC1SCCN1CCCCCF 269982a_200011216479_100000729378 [0,0,0,1,0,0|3,0,0]=4 12301 B12R1.372 CC1SCCN1CCCCCF 34a_200011216479_100000729378 [0,0,0,1,0,0|3,0,0]=4 12302 B12R1.372 CC1SCCN1CCCCCO 2230a_200011216479_100000746330 [0,0,0,1,0,0|2,0,0]=3 12303 B12R1.372 CC1SCCN1CCCCCO 269982a_200011216479_100000746330 [0,0,0,1,0,0|2,0,0]=3 12304 B12R1.372 CC1SCCN1CCCCCO 34a_200011216479_100000746330 [0,0,0,1,0,0|2,0,0]=3 12305 B12R1.372 CC1SCCN1CCOCCO 2230a_200011216479_100011215305 [0,0,0,1,0,0|3,0,0]=4 12306 B12R1.372 CC1SCCN1CCOCCO 269982a_200011216479_100011215305 [0,0,0,1,0,0|3,0,0]=4 12307 B12R1.372 CC1SCCN1CCOCCO 34a_200011216479_100000692535 [0,0,0,1,0,0|3,0,0]=4 12308 B12R1.372 CCC#CCS[C@@H]1CCC[C@H]1O 62a_100009813939_200016002552 [0,0,0,1,0,0|1,0,2]=4 12309 B12R1.372 CCC#CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009813939 [0,0,0,1,0,0|1,0,2]=4 12310 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [0,0,0,1,0,0|2,0,0]=3 12311 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [0,0,0,1,0,0|2,0,0]=3 12312 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [0,0,0,1,0,0|2,0,0]=3 12313 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [0,0,0,1,0,0|2,0,0]=3 12314 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [0,0,0,1,0,0|2,0,0]=3 12315 B12R1.372 CCCCCCN1CCSC1C 2230a_200011216479_100000210314 [0,0,0,1,0,0|3,0,0]=4 12316 B12R1.372 CCCCCCN1CCSC1C 269982a_200011216479_100000210757 [0,0,0,1,0,0|3,0,0]=4 12317 B12R1.372 CCCCCCN1CCSC1C 34a_200011216479_100000210314 [0,0,0,1,0,0|3,0,0]=4 12318 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,0,0,1,0,0|1,0,2]=4 12319 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [0,0,0,1,0,0|2,0,0]=3 12320 B12R1.372 CCCCCNC1CCOC1C 270004a_100000209983_100000691750 [0,0,0,1,0,0|3,0,0]=4 12321 B12R1.372 CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210326 [0,0,0,1,0,0|2,0,0]=3 12322 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,0,0,1,0,0|1,0,2]=4 12323 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,0,0,1,0,0|1,0,2]=4 12324 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,0,0,1,0,0|1,0,2]=4 12325 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,0,0,1,0,0|2,0,0]=3 12326 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,0,0,1,0,0|2,0,0]=3 12327 B12R1.372 CCCCCOC1COCC1O 34a_100000210253_200000725654 [0,0,0,1,0,0|2,0,0]=3 12328 B12R1.372 CCCCCOC1COCC1O 7a_100000210253_200000725654 [0,0,0,1,0,0|2,0,0]=3 12329 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,0,0,1,0,0|2,0,0]=3 12330 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,0,0,1,0,0|2,0,0]=3 12331 B12R1.372 CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000718602 [0,0,0,1,0,0|3,0,0]=4 12332 B12R1.372 CCCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000718602 [0,0,0,1,0,0|3,0,0]=4 12333 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,0,0,1,0,0|1,0,2]=4 12334 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,0,0,1,0,0|1,0,2]=4 12335 B12R1.372 CCCCCSC1COCC1O 62a_100000210326_200000725654 [0,0,0,1,0,0|2,0,0]=3 12336 B12R1.372 CCCCCSC1COCC1O 62a_200000725654_100000210326 [0,0,0,1,0,0|2,0,0]=3 12337 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,0,0,1,0,0|1,0,0]=2 12338 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,0,0,1,0,0|1,0,0]=2 12339 B12R1.372 CCCCNN=C1CCCC1O 4a_100025702795_200000719330 [0,0,0,1,0,0|2,0,1]=4 12340 B12R1.372 CCCCOCC1CCCN1C 34a_100000743107_100000210210 [0,0,0,1,0,0|3,0,0]=4 12341 B12R1.372 CCCCOCN1CCC[C@@H]1C 2230a_100020605311_100011995733 [0,0,0,1,0,0|3,0,0]=4 12342 B12R1.372 CCCCOCN1CCC[C@@H]1C 269982a_100020605311_100011995733 [0,0,0,1,0,0|3,0,0]=4 12343 B12R1.372 CCCCOCN1CCC[C@H]1C 2230a_100015189458_100011995733 [0,0,0,1,0,0|3,0,0]=4 12344 B12R1.372 CCCCOCN1CCC[C@H]1C 269982a_100015189458_100011995733 [0,0,0,1,0,0|3,0,0]=4 12345 B12R1.372 CCCCOCN1CCC[C@H]1C 34a_100015189458_100011995733 [0,0,0,1,0,0|3,0,0]=4 12346 B12R1.372 CCCOCCC1CCCN1C 34a_100000210258_100000005710 [0,0,0,1,0,0|3,0,0]=4 12347 B12R1.372 CCCOCCC1CCCN1C 34a_100011215177_100000210303 [0,0,0,1,0,0|3,0,0]=4 12348 B12R1.372 CCCOCCC1CCCN1C 7a_100011215177_100000210303 [0,0,0,1,0,0|3,0,0]=4 12349 B12R1.372 CCCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215938 [0,0,0,1,0,0|3,0,0]=4 12350 B12R1.372 CCCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215938 [0,0,0,1,0,0|3,0,0]=4 12351 B12R1.372 CCCOCCN1CCC[C@H]1C 2230a_100015189458_100011215938 [0,0,0,1,0,0|3,0,0]=4 12352 B12R1.372 CCCOCCN1CCC[C@H]1C 269982a_100015189458_100011215938 [0,0,0,1,0,0|3,0,0]=4 12353 B12R1.372 CCCOCCN1CCC[C@H]1C 34a_100015189458_100011215938 [0,0,0,1,0,0|3,0,0]=4 12354 B12R1.372 CCCSCCC1CCCN1C 62a_100000005710_100000210303 [0,0,0,1,0,0|3,0,0]=4 12355 B12R1.372 CCCSCCC1CCCN1C 62a_100000210303_100000005710 [0,0,0,1,0,0|3,0,0]=4 12356 B12R1.372 CCOCCCN1CCC[C@@H]1C 2230a_100020605311_100012232248 [0,0,0,1,0,0|3,0,0]=4 12357 B12R1.372 CCOCCCN1CCC[C@@H]1C 269982a_100020605311_100012232248 [0,0,0,1,0,0|3,0,0]=4 12358 B12R1.372 CCOCCCN1CCC[C@H]1C 2230a_100015189458_100012232248 [0,0,0,1,0,0|3,0,0]=4 12359 B12R1.372 CCOCCCN1CCC[C@H]1C 269982a_100015189458_100012232248 [0,0,0,1,0,0|3,0,0]=4 12360 B12R1.372 CCOCCCN1CCC[C@H]1C 34a_100015189458_100012232248 [0,0,0,1,0,0|3,0,0]=4 12361 B12R1.372 CCOCCNC1CCCC1C 269862a_100011200944_100000752053 [0,0,0,1,0,0|3,0,0]=4 12362 B12R1.372 CCOCCNC1COCC1O 34a_102516460346_200000725654 [0,0,0,1,0,0|3,0,0]=4 12363 B12R1.372 CCOCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011215890 [0,0,0,1,0,0|3,0,0]=4 12364 B12R1.372 CCOCCOC1CCCC1C 34a_100011216460_100000210147 [0,0,0,1,0,0|3,0,0]=4 12365 B12R1.372 CCOCCOC1CCCC1C 7a_100011216460_100011215890 [0,0,0,1,0,0|3,0,0]=4 12366 B12R1.372 CCOCCOC1COCC1O 34a_100000210136_200000725654 [0,0,0,1,0,0|3,0,0]=4 12367 B12R1.372 CCOCCOC1COCC1O 7a_100000210136_200000725654 [0,0,0,1,0,0|3,0,0]=4 12368 B12R1.372 CCOCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210147 [0,0,0,1,0,0|3,0,0]=4 12369 B12R1.372 CCOCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210147 [0,0,0,1,0,0|3,0,0]=4 12370 B12R1.372 CCOCCSC1COCC1O 62a_100000210147_200000725654 [0,0,0,1,0,0|3,0,0]=4 12371 B12R1.372 CCOCCSC1COCC1O 62a_200000725654_100011215890 [0,0,0,1,0,0|3,0,0]=4 12372 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_100000210147_200016002552 [0,0,0,1,0,0|2,0,0]=3 12373 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215890 [0,0,0,1,0,0|2,0,0]=3 12374 B12R1.372 CCSCCNC1CCCC1C 269862a_100000106463_100000752053 [0,0,0,1,0,0|3,0,0]=4 12375 B12R1.372 CCSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000757381 [0,0,0,1,0,0|3,0,0]=4 12376 B12R1.372 CCSCCOC1CCCC1C 34a_100011216460_100000757381 [0,0,0,1,0,0|3,0,0]=4 12377 B12R1.372 CCSCCOC1CCCC1C 7a_100011216460_100000757381 [0,0,0,1,0,0|3,0,0]=4 12378 B12R1.372 CCSCCOC1COCC1O 34a_100000212035_200000725654 [0,0,0,1,0,0|3,0,0]=4 12379 B12R1.372 CCSCCOC1COCC1O 7a_100000212035_200000725654 [0,0,0,1,0,0|3,0,0]=4 12380 B12R1.372 CCSCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757381 [0,0,0,1,0,0|3,0,0]=4 12381 B12R1.372 CCSCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757381 [0,0,0,1,0,0|3,0,0]=4 12382 B12R1.372 CCSCCSC1COCC1O 62a_100000757381_200000725654 [0,0,0,1,0,0|3,0,0]=4 12383 B12R1.372 CCSCCSC1COCC1O 62a_200000725654_100000757381 [0,0,0,1,0,0|3,0,0]=4 12384 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_100000757381_200016002552 [0,0,0,1,0,0|2,0,0]=3 12385 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757381 [0,0,0,1,0,0|2,0,0]=3 12386 B12R1.372 CN1CCCC1CCNCCF 34a_100000724931_100000005710 [0,0,0,1,0,0|3,0,0]=4 12387 B12R1.372 CN1CCCC1CCNCCO 2230a_100016997473_100000005710 [0,0,0,1,0,0|2,0,0]=3 12388 B12R1.372 CN1CCCC1CCNCCO 34a_100016990907_100000005710 [0,0,0,1,0,0|2,0,0]=3 12389 B12R1.372 CN1CCCC1CCOCCBr 34a_100000211926_100000005710 [0,0,0,1,0,0|3,0,0]=4 12390 B12R1.372 CN1CCCC1CCOCCF 34a_100011215177_100011217306 [0,0,0,1,0,0|3,0,0]=4 12391 B12R1.372 CN1CCCC1CCOCCF 7a_100011215177_100011217306 [0,0,0,1,0,0|3,0,0]=4 12392 B12R1.372 CN1CCCC1CCOCCN 34a_100000210304_100000005710 [0,0,0,1,0,0|3,0,0]=4 12393 B12R1.372 CN1CCCC1CCOCCO 34a_100011215177_100000211926 [0,0,0,1,0,0|2,0,0]=3 12394 B12R1.372 CN1CCCC1CCOCCO 7a_100011215177_100000211926 [0,0,0,1,0,0|2,0,0]=3 12395 B12R1.372 CN1CCCC1CCSCCF 62a_100000005710_100011217306 [0,0,0,1,0,0|3,0,0]=4 12396 B12R1.372 CN1CCCC1CCSCCF 62a_100011217306_100000005710 [0,0,0,1,0,0|3,0,0]=4 12397 B12R1.372 CN1CCCC1CCSCCO 62a_100000005710_100000211926 [0,0,0,1,0,0|2,0,0]=3 12398 B12R1.372 CN1CCCC1CCSCCO 62a_100000211926_100000005710 [0,0,0,1,0,0|2,0,0]=3 12399 B12R1.372 CN1CCCC1COCCCF 34a_100000743107_100011934791 [0,0,0,1,0,0|3,0,0]=4 12400 B12R1.372 CN1CCCC1COCCCO 34a_100000743107_100000230001 [0,0,0,1,0,0|2,0,0]=3 12401 B12R1.372 CNCCCOC1COCC1O 34a_100000213112_200000725654 [0,0,0,1,0,0|3,0,0]=4 12402 B12R1.372 COCCCCN1CCC[C@@H]1C 2230a_100020605311_100000730899 [0,0,0,1,0,0|3,0,0]=4 12403 B12R1.372 COCCCCN1CCC[C@@H]1C 269982a_100020605311_100000730899 [0,0,0,1,0,0|3,0,0]=4 12404 B12R1.372 COCCCCN1CCC[C@H]1C 2230a_100015189458_100000730899 [0,0,0,1,0,0|3,0,0]=4 12405 B12R1.372 COCCCCN1CCC[C@H]1C 269982a_100015189458_100000730899 [0,0,0,1,0,0|3,0,0]=4 12406 B12R1.372 COCCCCN1CCC[C@H]1C 34a_100015189458_100000755781 [0,0,0,1,0,0|3,0,0]=4 12407 B12R1.372 COCCCNC1CCCC1C 269862a_100150723488_100000752053 [0,0,0,1,0,0|3,0,0]=4 12408 B12R1.372 COCCCNC1COCC1O 34a_100150723488_200000725654 [0,0,0,1,0,0|3,0,0]=4 12409 B12R1.372 COCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000740836 [0,0,0,1,0,0|3,0,0]=4 12410 B12R1.372 COCCCOC1CCCC1C 34a_100011216460_100000740836 [0,0,0,1,0,0|3,0,0]=4 12411 B12R1.372 COCCCOC1CCCC1C 7a_100011216460_100000740836 [0,0,0,1,0,0|3,0,0]=4 12412 B12R1.372 COCCCOC1COCC1O 34a_100000740835_200000725654 [0,0,0,1,0,0|3,0,0]=4 12413 B12R1.372 COCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000740836 [0,0,0,1,0,0|3,0,0]=4 12414 B12R1.372 COCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000740836 [0,0,0,1,0,0|3,0,0]=4 12415 B12R1.372 COCCCSC1COCC1O 62a_100000709357_200000725654 [0,0,0,1,0,0|3,0,0]=4 12416 B12R1.372 COCCCSC1COCC1O 62a_200000725654_100000709357 [0,0,0,1,0,0|3,0,0]=4 12417 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_100000709357_200016002552 [0,0,0,1,0,0|2,0,0]=3 12418 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000709357 [0,0,0,1,0,0|2,0,0]=3 12419 B12R1.372 CSCCCNC1CCCC1C 269862a_100000749238_100000752053 [0,0,0,1,0,0|3,0,0]=4 12420 B12R1.372 CSCCCOC1COCC1O 34a_100000690336_200000725654 [0,0,0,1,0,0|3,0,0]=4 12421 B12R1.372 CSCCCOC1COCC1O 7a_100000690336_200000725654 [0,0,0,1,0,0|3,0,0]=4 12422 B12R1.372 C[C@@H]1CCCN1CCCCC#N 2230a_100015189458_100000211819 [0,0,0,1,0,0|2,0,1]=4 12423 B12R1.372 C[C@@H]1CCCN1CCCCC#N 269982a_100015189458_100011219923 [0,0,0,1,0,0|2,0,1]=4 12424 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [0,0,0,1,0,0|1,0,2]=4 12425 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 [0,0,0,1,0,0|1,0,2]=4 12426 B12R1.372 C[C@@H]1CCCN1CCCCCF 2230a_100015189458_100000729378 [0,0,0,1,0,0|2,0,0]=3 12427 B12R1.372 C[C@@H]1CCCN1CCCCCF 269982a_100015189458_100000729378 [0,0,0,1,0,0|2,0,0]=3 12428 B12R1.372 C[C@@H]1CCCN1CCCCCF 34a_100015189458_100000729378 [0,0,0,1,0,0|2,0,0]=3 12429 B12R1.372 C[C@@H]1CCCN1CCCCCO 2230a_100015189458_100000746330 [0,0,0,1,0,0|1,0,0]=2 12430 B12R1.372 C[C@@H]1CCCN1CCCCCO 269982a_100015189458_100000746330 [0,0,0,1,0,0|1,0,0]=2 12431 B12R1.372 C[C@@H]1CCCN1CCCCCO 34a_100015189458_100000746330 [0,0,0,1,0,0|1,0,0]=2 12432 B12R1.372 C[C@@H]1CCCN1CCOCCO 2230a_100015189458_100011215305 [0,0,0,1,0,0|2,0,0]=3 12433 B12R1.372 C[C@@H]1CCCN1CCOCCO 269982a_100015189458_100011215305 [0,0,0,1,0,0|2,0,0]=3 12434 B12R1.372 C[C@@H]1CCCN1CCOCCO 34a_100015189458_100000692535 [0,0,0,1,0,0|2,0,0]=3 12435 B12R1.372 C[C@@H]1CNC[C@@H]1OCCCCF 34a_200015306588_100000729493 [0,0,0,1,0,0|3,0,0]=4 12436 B12R1.372 C[C@@H]1CNC[C@@H]1OCCCCO 34a_200015306588_100011216708 [0,0,0,1,0,0|2,0,0]=3 12437 B12R1.372 C[C@H]1CCCN1CCCCC#N 2230a_100020605311_100000211819 [0,0,0,1,0,0|2,0,1]=4 12438 B12R1.372 C[C@H]1CCCN1CCCCC#N 269982a_100020605311_100011219923 [0,0,0,1,0,0|2,0,1]=4 12439 B12R1.372 C[C@H]1CCCN1CCCCC=O 2230a_100020605311_100000139335 [0,0,0,1,0,0|1,0,2]=4 12440 B12R1.372 C[C@H]1CCCN1CCCCC=O 269982a_100020605311_100000139335 [0,0,0,1,0,0|1,0,2]=4 12441 B12R1.372 C[C@H]1CCCN1CCCCCF 2230a_100020605311_100000729378 [0,0,0,1,0,0|2,0,0]=3 12442 B12R1.372 C[C@H]1CCCN1CCCCCF 269982a_100020605311_100000729378 [0,0,0,1,0,0|2,0,0]=3 12443 B12R1.372 C[C@H]1CCCN1CCCCCO 2230a_100020605311_100000746330 [0,0,0,1,0,0|1,0,0]=2 12444 B12R1.372 C[C@H]1CCCN1CCCCCO 269982a_100020605311_100000746330 [0,0,0,1,0,0|1,0,0]=2 12445 B12R1.372 C[C@H]1CCCN1CCOCCO 2230a_100020605311_100011215305 [0,0,0,1,0,0|2,0,0]=3 12446 B12R1.372 C[C@H]1CCCN1CCOCCO 269982a_100020605311_100011215305 [0,0,0,1,0,0|2,0,0]=3 12447 B12R1.372 FCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000729493 [0,0,0,1,0,0|3,0,0]=4 12448 B12R1.372 N#CCCCS[C@@H]1CCC[C@H]1O 62a_100000687738_200016002552 [0,0,0,1,0,0|2,0,1]=4 12449 B12R1.372 N#CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000687738 [0,0,0,1,0,0|2,0,1]=4 12450 B12R1.372 NCCCCOC1COCC1O 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[0,0,0,1,0,0|2,0,1]=4 12980 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,0,0,1,0,0|2,0,1]=4 12981 B12R1.458 CCCCCN1CCC1COC 2230a_100015195929_100000210326 [0,0,0,1,0,0|3,0,0]=4 12982 B12R1.458 CCCCCN1CCC1COC 269982a_100015195929_100000210215 [0,0,0,1,0,0|3,0,0]=4 12983 B12R1.458 CCCCCN1CCC1COC 34a_100015195929_100000718602 [0,0,0,1,0,0|3,0,0]=4 12984 B12R1.458 COCC1CCN1CCCCF 2230a_100015195929_100000729493 [0,0,0,1,0,0|3,0,0]=4 12985 B12R1.458 COCC1CCN1CCCCF 269982a_100015195929_100000729493 [0,0,0,1,0,0|3,0,0]=4 12986 B12R1.458 COCC1CCN1CCCCF 34a_100015195929_100000729493 [0,0,0,1,0,0|3,0,0]=4 12987 B12R1.458 COCC1CCN1CCCCO 2230a_100015195929_100000210776 [0,0,0,1,0,0|2,0,0]=3 12988 B12R1.458 COCC1CCN1CCCCO 269982a_100015195929_100000210776 [0,0,0,1,0,0|2,0,0]=3 12989 B12R1.458 COCC1CCN1CCCCO 34a_100015195929_100011216708 [0,0,0,1,0,0|2,0,0]=3 12990 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [0,0,0,1,0,0|2,0,0]=3 12991 B12R1.1414 BrCCOCC1CCCCCC1 34a_100000211926_200000696569 [0,0,0,1,0,0|2,0,0]=3 12992 B12R1.1414 C#CCCCN1CCCCCC1 2230a_100000185865_100000731252 [0,0,0,1,0,0|2,0,1]=4 12993 B12R1.1414 C#CCCCN1CCCCCC1 269982a_100000185865_100011215417 [0,0,0,1,0,0|2,0,1]=4 12994 B12R1.1414 C#CCCCN1CCCCCC1 34a_100000185865_100000695029 [0,0,0,1,0,0|2,0,1]=4 12995 B12R1.1414 C#CCCNC1CCCCCC1 2230a_100000210984_100000688953 [0,0,0,1,0,0|2,0,1]=4 12996 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000210984_100000688953 [0,0,0,1,0,0|2,0,1]=4 12997 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000755551_100011217769 [0,0,0,1,0,0|2,0,1]=4 12998 B12R1.1414 C#CCCOC1CCCCCC1 34a_100000210887_100000688953 [0,0,0,1,0,0|2,0,1]=4 12999 B12R1.1414 C#CCCOC1CCCCCC1 34a_100011215631_100011217769 [0,0,0,1,0,0|2,0,1]=4 13000 B12R1.1414 C#CCCOC1CCCCCC1 7a_100000210887_100000688953 [0,0,0,1,0,0|2,0,1]=4 13001 B12R1.1414 C#CCCSC1CCCCCC1 62a_100000688953_100011217769 [0,0,0,1,0,0|2,0,1]=4 13002 B12R1.1414 C#CCCSC1CCCCCC1 62a_100011217769_100000688953 [0,0,0,1,0,0|2,0,1]=4 13003 B12R1.1414 C#CCNCC1CCCCCC1 2230a_100015204231_100000038162 [0,0,0,1,0,0|2,0,1]=4 13004 B12R1.1414 C#CCNCC1CCCCCC1 34a_100000212058_200000696569 [0,0,0,1,0,0|2,0,1]=4 13005 B12R1.1414 C#CCNCC1CCCCCC1 34a_100015204231_100000184674 [0,0,0,1,0,0|2,0,1]=4 13006 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000210247_200000696569 [0,0,0,1,0,0|2,0,1]=4 13007 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000699130_100000184674 [0,0,0,1,0,0|2,0,1]=4 13008 B12R1.1414 C#CCOCC1CCCCCC1 7a_100000699130_100000038162 [0,0,0,1,0,0|2,0,1]=4 13009 B12R1.1414 C#CCSCC1CCCCCC1 62a_100000038162_200000696569 [0,0,0,1,0,0|2,0,1]=4 13010 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [0,0,0,1,0,0|2,0,1]=4 13011 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [0,0,0,1,0,0|2,0,1]=4 13012 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [0,0,0,1,0,0|2,0,1]=4 13013 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [0,0,0,1,0,0|2,0,1]=4 13014 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [0,0,0,1,0,0|2,0,1]=4 13015 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [0,0,0,1,0,0|2,0,1]=4 13016 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,0,0,1,0,0|2,0,1]=4 13017 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,0,0,1,0,0|2,0,1]=4 13018 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,0,0,1,0,0|2,0,1]=4 13019 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [0,0,0,1,0,0|2,0,1]=4 13020 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [0,0,0,1,0,0|2,0,1]=4 13021 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [0,0,0,1,0,0|2,0,1]=4 13022 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [0,0,0,1,0,0|2,0,1]=4 13023 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [0,0,0,1,0,0|2,0,1]=4 13024 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,0,0,1,0,0|2,0,1]=4 13025 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,0,0,1,0,0|2,0,1]=4 13026 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,0,0,1,0,0|2,0,1]=4 13027 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [0,0,0,1,0,0|2,0,1]=4 13028 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [0,0,0,1,0,0|2,0,1]=4 13029 B12R1.1414 CCCCCN1CCCCCC1 2230a_100000185865_100000210326 [0,0,0,1,0,0|2,0,0]=3 13030 B12R1.1414 CCCCCN1CCCCCC1 269982a_100000185865_100000210215 [0,0,0,1,0,0|2,0,0]=3 13031 B12R1.1414 CCCCCN1CCCCCC1 34a_100000185865_100000718602 [0,0,0,1,0,0|2,0,0]=3 13032 B12R1.1414 CCCCCN1CCCOCC1 2230a_100000685342_100000210326 [0,0,0,1,0,0|3,0,0]=4 13033 B12R1.1414 CCCCCN1CCCOCC1 269982a_100000685342_100000210215 [0,0,0,1,0,0|3,0,0]=4 13034 B12R1.1414 CCCCCN1CCCOCC1 34a_100000685342_100000718602 [0,0,0,1,0,0|3,0,0]=4 13035 B12R1.1414 CCCCNC1CCCCCC1 2230a_100000210984_100000210211 [0,0,0,1,0,0|2,0,0]=3 13036 B12R1.1414 CCCCNC1CCCCCC1 270004a_100000102301_100000210131 [0,0,0,1,0,0|2,0,0]=3 13037 B12R1.1414 CCCCNC1CCCCCC1 34a_100000210984_100000210210 [0,0,0,1,0,0|2,0,0]=3 13038 B12R1.1414 CCCCNC1CCCNCC1 270004a_100000102301_100015187895 [0,0,0,1,0,0|3,0,0]=4 13039 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,0,0,1,0,0|2,0,0]=3 13040 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,0,0,1,0,0|2,0,0]=3 13041 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,0,0,1,0,0|2,0,0]=3 13042 B12R1.1414 CCCCSC1CCCCCC1 62a_100000210211_100011217769 [0,0,0,1,0,0|2,0,0]=3 13043 B12R1.1414 CCCCSC1CCCCCC1 62a_100011217769_100000210210 [0,0,0,1,0,0|2,0,0]=3 13044 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [0,0,0,1,0,0|2,0,0]=3 13045 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [0,0,0,1,0,0|2,0,0]=3 13046 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [0,0,0,1,0,0|2,0,0]=3 13047 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [0,0,0,1,0,0|2,0,0]=3 13048 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [0,0,0,1,0,0|2,0,0]=3 13049 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [0,0,0,1,0,0|2,0,0]=3 13050 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [0,0,0,1,0,0|2,0,0]=3 13051 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [0,0,0,1,0,0|2,0,0]=3 13052 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [0,0,0,1,0,0|2,0,0]=3 13053 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [0,0,0,1,0,0|2,0,0]=3 13054 B12R1.1414 CCOCCN1CCCCCC1 2230a_100000185865_100011215890 [0,0,0,1,0,0|3,0,0]=4 13055 B12R1.1414 CCOCCN1CCCCCC1 269982a_100000185865_100011215890 [0,0,0,1,0,0|3,0,0]=4 13056 B12R1.1414 CCOCCN1CCCCCC1 34a_100000185865_100000210147 [0,0,0,1,0,0|3,0,0]=4 13057 B12R1.1414 CCOCCN1CCCCCC1 34a_100000238007_100000210202 [0,0,0,1,0,0|3,0,0]=4 13058 B12R1.1414 CCOCSC1CCCCCC1 62a_100000739092_100011217769 [0,0,0,1,0,0|3,0,0]=4 13059 B12R1.1414 CCOCSC1CCCCCC1 62a_100011217769_100000739092 [0,0,0,1,0,0|3,0,0]=4 13060 B12R1.1414 CCSCCN1CCCCCC1 2230a_100000185865_100000757381 [0,0,0,1,0,0|3,0,0]=4 13061 B12R1.1414 CCSCCN1CCCCCC1 269982a_100000185865_100000757381 [0,0,0,1,0,0|3,0,0]=4 13062 B12R1.1414 CCSCCN1CCCCCC1 34a_100000185865_100000757381 [0,0,0,1,0,0|3,0,0]=4 13063 B12R1.1414 CCSCCN1CCCCCC1 62a_100000210202_100000722644 [0,0,0,1,0,0|3,0,0]=4 13064 B12R1.1414 CCSCCN1CCCCCC1 62a_100000722644_100000210202 [0,0,0,1,0,0|3,0,0]=4 13065 B12R1.1414 COCCCN1CCCCCC1 2230a_100000185865_100000740836 [0,0,0,1,0,0|3,0,0]=4 13066 B12R1.1414 COCCCN1CCCCCC1 269982a_100000185865_100000740836 [0,0,0,1,0,0|3,0,0]=4 13067 B12R1.1414 COCCCN1CCCCCC1 34a_100000185865_100000740836 [0,0,0,1,0,0|3,0,0]=4 13068 B12R1.1414 COCCCN1CCCCCC1 34a_100102886287_200000210301 [0,0,0,1,0,0|3,0,0]=4 13069 B12R1.1414 COCCCN1CCCCCC1 7a_100102886287_200000210301 [0,0,0,1,0,0|3,0,0]=4 13070 B12R1.1414 COCCNC1CCCCCC1 2230a_100000210984_100011201679 [0,0,0,1,0,0|3,0,0]=4 13071 B12R1.1414 COCCNC1CCCCCC1 270004a_100000209980_100000210131 [0,0,0,1,0,0|3,0,0]=4 13072 B12R1.1414 COCCNC1CCCCCC1 34a_100000210984_100011201679 [0,0,0,1,0,0|3,0,0]=4 13073 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,0,0,1,0,0|3,0,0]=4 13074 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,0,0,1,0,0|3,0,0]=4 13075 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,0,0,1,0,0|3,0,0]=4 13076 B12R1.1414 COCCSC1CCCCCC1 62a_100000233755_100011217769 [0,0,0,1,0,0|3,0,0]=4 13077 B12R1.1414 COCCSC1CCCCCC1 62a_100011217769_100000233755 [0,0,0,1,0,0|3,0,0]=4 13078 B12R1.1414 COCNCC1CCCCCC1 2230a_100015204231_100000766300 [0,0,0,1,0,0|3,0,0]=4 13079 B12R1.1414 COCSCC1CCCCCC1 62a_100000766300_200000696569 [0,0,0,1,0,0|3,0,0]=4 13080 B12R1.1414 COCSCC1CCCCCC1 62a_200000696569_100000766300 [0,0,0,1,0,0|3,0,0]=4 13081 B12R1.1414 CSCCNC1CCCCCC1 2230a_100000210984_100000751147 [0,0,0,1,0,0|3,0,0]=4 13082 B12R1.1414 CSCCNC1CCCCCC1 270004a_100020590264_100000210131 [0,0,0,1,0,0|3,0,0]=4 13083 B12R1.1414 CSCCNC1CCCCCC1 34a_100000210984_100000212216 [0,0,0,1,0,0|3,0,0]=4 13084 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,0,0,1,0,0|3,0,0]=4 13085 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,0,0,1,0,0|3,0,0]=4 13086 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,0,0,1,0,0|3,0,0]=4 13087 B12R1.1414 CSCCSC1CCCCCC1 62a_100000212216_100011217769 [0,0,0,1,0,0|3,0,0]=4 13088 B12R1.1414 CSCCSC1CCCCCC1 62a_100011217769_100000751147 [0,0,0,1,0,0|3,0,0]=4 13089 B12R1.1414 CSCNCC1CCCCCC1 2230a_100015204231_100011218213 [0,0,0,1,0,0|3,0,0]=4 13090 B12R1.1414 CSCNCC1CCCCCC1 34a_100015204231_100011218213 [0,0,0,1,0,0|3,0,0]=4 13091 B12R1.1414 CSCOCC1CCCCCC1 34a_100000699130_100011218213 [0,0,0,1,0,0|3,0,0]=4 13092 B12R1.1414 CSCSCC1CCCCCC1 62a_100011218213_200000696569 [0,0,0,1,0,0|3,0,0]=4 13093 B12R1.1414 CSCSCC1CCCCCC1 62a_200000696569_100011218213 [0,0,0,1,0,0|3,0,0]=4 13094 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [0,0,0,1,0,0|2,0,0]=3 13095 B12R1.1414 FCCCCN1CCCCCC1 2230a_100000185865_100000729493 [0,0,0,1,0,0|2,0,0]=3 13096 B12R1.1414 FCCCCN1CCCCCC1 269982a_100000185865_100000729493 [0,0,0,1,0,0|2,0,0]=3 13097 B12R1.1414 FCCCCN1CCCCCC1 34a_100000185865_100000729493 [0,0,0,1,0,0|2,0,0]=3 13098 B12R1.1414 FCCCCN1CCCOCC1 2230a_100000685342_100000729493 [0,0,0,1,0,0|3,0,0]=4 13099 B12R1.1414 FCCCCN1CCCOCC1 269982a_100000685342_100000729493 [0,0,0,1,0,0|3,0,0]=4 13100 B12R1.1414 FCCCCN1CCCOCC1 34a_100000685342_100000729493 [0,0,0,1,0,0|3,0,0]=4 13101 B12R1.1414 FCCCNC1CCCCCC1 2230a_100000210984_100011934791 [0,0,0,1,0,0|2,0,0]=3 13102 B12R1.1414 FCCCNC1CCCCCC1 270004a_100015189416_100000210131 [0,0,0,1,0,0|2,0,0]=3 13103 B12R1.1414 FCCCNC1CCCCCC1 34a_100000210984_100011934791 [0,0,0,1,0,0|2,0,0]=3 13104 B12R1.1414 FCCCNC1CCCCCC1 34a_100015189416_100011217769 [0,0,0,1,0,0|2,0,0]=3 13105 B12R1.1414 FCCCNC1CCCNCC1 270004a_100015189416_100015187895 [0,0,0,1,0,0|3,0,0]=4 13106 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [0,0,0,1,0,0|2,0,0]=3 13107 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [0,0,0,1,0,0|2,0,0]=3 13108 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [0,0,0,1,0,0|2,0,0]=3 13109 B12R1.1414 FCCCSC1CCCCCC1 62a_100011217769_100011934791 [0,0,0,1,0,0|2,0,0]=3 13110 B12R1.1414 FCCCSC1CCCCCC1 62a_100011934791_100011217769 [0,0,0,1,0,0|2,0,0]=3 13111 B12R1.1414 FCCNCC1CCCCCC1 2230a_100015204231_100011217306 [0,0,0,1,0,0|2,0,0]=3 13112 B12R1.1414 FCCNCC1CCCCCC1 269862a_100000724931_200000763224 [0,0,0,1,0,0|2,0,0]=3 13113 B12R1.1414 FCCNCC1CCCCCC1 34a_100000724931_200000696569 [0,0,0,1,0,0|2,0,0]=3 13114 B12R1.1414 FCCNCC1CCCCCC1 34a_100015204231_100011217306 [0,0,0,1,0,0|2,0,0]=3 13115 B12R1.1414 FCCOCC1CCCCCC1 34a_100000699130_100011217306 [0,0,0,1,0,0|2,0,0]=3 13116 B12R1.1414 FCCOCC1CCCCCC1 7a_100000699130_100011217306 [0,0,0,1,0,0|2,0,0]=3 13117 B12R1.1414 FCCSCC1CCCCCC1 62a_100011217306_200000696569 [0,0,0,1,0,0|2,0,0]=3 13118 B12R1.1414 FCCSCC1CCCCCC1 62a_200000696569_100011217306 [0,0,0,1,0,0|2,0,0]=3 13119 B12R1.1414 FCNCCC1CCCCCC1 34a_100011532351_100015361967 [0,0,0,1,0,0|2,0,0]=3 13120 B12R1.1414 FCOCCN1CCCCCC1 34a_100000238007_100015361967 [0,0,0,1,0,0|3,0,0]=4 13121 B12R1.1414 FCSCCN1CCCCCC1 62a_100000722644_100015361967 [0,0,0,1,0,0|3,0,0]=4 13122 B12R1.1414 FCSCCN1CCCCCC1 62a_100015361967_100000722644 [0,0,0,1,0,0|3,0,0]=4 13123 B12R1.1414 N#CCCCN1CCCCCC1 2230a_100000185865_100000687738 [0,0,0,1,0,0|2,0,1]=4 13124 B12R1.1414 N#CCCCN1CCCCCC1 269982a_100000185865_100000687738 [0,0,0,1,0,0|2,0,1]=4 13125 B12R1.1414 N#CCCNC1CCCCCC1 2230a_100000210984_100011215226 [0,0,0,1,0,0|2,0,1]=4 13126 B12R1.1414 N#CCCNC1CCCCCC1 270004a_100000720768_100000210131 [0,0,0,1,0,0|2,0,1]=4 13127 B12R1.1414 N#CCCOC1CCCCCC1 7a_100000210887_100000184422 [0,0,0,1,0,0|2,0,1]=4 13128 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011215226_100011217769 [0,0,0,1,0,0|2,0,1]=4 13129 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011217769_100011215226 [0,0,0,1,0,0|2,0,1]=4 13130 B12R1.1414 N#CCNCC1CCCCCC1 2230a_100015204231_100011215382 [0,0,0,1,0,0|2,0,1]=4 13131 B12R1.1414 N#CCOCC1CCCCCC1 7a_100000699130_100011215382 [0,0,0,1,0,0|2,0,1]=4 13132 B12R1.1414 N#CCSCC1CCCCCC1 62a_100011215382_200000696569 [0,0,0,1,0,0|2,0,1]=4 13133 B12R1.1414 N#CCSCC1CCCCCC1 62a_200000696569_100011215382 [0,0,0,1,0,0|2,0,1]=4 13134 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [0,0,0,1,0,0|2,0,0]=3 13135 B12R1.1414 NCCOCC1CCCCCC1 34a_100000210304_200000696569 [0,0,0,1,0,0|2,0,0]=3 13136 B12R1.1414 NOCCOC1CCCCCC1 34a_100000700252_100011217769 [0,0,0,1,0,0|3,0,0]=4 13137 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [0,0,0,1,0,0|1,0,2]=4 13138 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [0,0,0,1,0,0|1,0,2]=4 13139 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [0,0,0,1,0,0|1,0,2]=4 13140 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [0,0,0,1,0,0|1,0,2]=4 13141 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [0,0,0,1,0,0|1,0,2]=4 13142 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [0,0,0,1,0,0|1,0,2]=4 13143 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [0,0,0,1,0,0|1,0,2]=4 13144 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [0,0,0,1,0,0|1,0,2]=4 13145 B12R1.1414 OCC#CCN1CCCCCC1 2230a_100000185865_200000047223 [0,0,0,1,0,0|1,0,2]=4 13146 B12R1.1414 OCC#CCN1CCCCCC1 34a_100000185865_200000047223 [0,0,0,1,0,0|1,0,2]=4 13147 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [0,0,0,1,0,0|1,0,0]=2 13148 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [0,0,0,1,0,0|1,0,0]=2 13149 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [0,0,0,1,0,0|1,0,0]=2 13150 B12R1.1414 OCCCCN1CCCOCC1 2230a_100000685342_100000210776 [0,0,0,1,0,0|2,0,0]=3 13151 B12R1.1414 OCCCCN1CCCOCC1 269982a_100000685342_100000210776 [0,0,0,1,0,0|2,0,0]=3 13152 B12R1.1414 OCCCCN1CCCOCC1 34a_100000685342_100011216708 [0,0,0,1,0,0|2,0,0]=3 13153 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [0,0,0,1,0,0|1,0,0]=2 13154 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [0,0,0,1,0,0|1,0,0]=2 13155 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [0,0,0,1,0,0|1,0,0]=2 13156 B12R1.1414 OCCCNC1CCCNCC1 270004a_100000182051_100015187895 [0,0,0,1,0,0|2,0,0]=3 13157 B12R1.1414 OCCCNC1CSCCSC1 270004a_100000182051_100000068409 [0,0,0,1,0,0|3,0,0]=4 13158 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,0,0,1,0,0|1,0,0]=2 13159 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,0,0,1,0,0|1,0,0]=2 13160 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [0,0,0,1,0,0|1,0,0]=2 13161 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [0,0,0,1,0,0|1,0,0]=2 13162 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [0,0,0,1,0,0|1,0,0]=2 13163 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [0,0,0,1,0,0|1,0,0]=2 13164 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [0,0,0,1,0,0|1,0,0]=2 13165 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [0,0,0,1,0,0|1,0,0]=2 13166 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [0,0,0,1,0,0|1,0,0]=2 13167 B12R1.1414 OCCNN=C1CCCCCC1 4a_100000210001_100000210131 [0,0,0,1,0,0|2,0,1]=4 13168 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [0,0,0,1,0,0|1,0,0]=2 13169 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [0,0,0,1,0,0|1,0,0]=2 13170 B12R1.1414 OCCOCC1CNCCOC1 34a_100103147999_100000211926 [0,0,0,1,0,0|3,0,0]=4 13171 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [0,0,0,1,0,0|1,0,0]=2 13172 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [0,0,0,1,0,0|1,0,0]=2 13173 B12R1.1414 [13CH3]OCCCN1CCCCCC1 34a_100102886287_200025704644 [0,0,0,1,0,0|3,0,0]=4 13174 B12R1.1414 [13CH3]OCCCN1CCCCCC1 7a_100102886287_200025704644 [0,0,0,1,0,0|3,0,0]=4 13175 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 13176 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 13177 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 13178 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,0]=3 13179 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 13180 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 13181 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 13182 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 13183 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,0]=3 13184 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 13185 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 13186 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 13187 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,0]=3 13188 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,0]=3 13189 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,0]=3 13190 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,0]=3 13191 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,0]=3 13192 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,0]=3 13193 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,0]=3 13194 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,0]=3 13195 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,0]=3 13196 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 13197 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 13198 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,0]=3 13199 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,0]=3 13200 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [2,0,0,0,0,0|2,0,0]=4 13201 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [2,0,0,0,0,0|2,0,0]=4 13202 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,0]=3 13203 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [2,0,0,0,0,0|2,0,0]=4 13204 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [2,0,0,0,0,0|2,0,0]=4 13205 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,0]=3 13206 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,0]=3 13207 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,0]=3 13208 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|2,0,0]=4 13209 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [2,0,0,0,0,0|2,0,0]=4 13210 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|2,0,0]=4 13211 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,0]=3 13212 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 13213 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 13214 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 13215 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 13216 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|2,0,0]=4 13217 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 13218 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 13219 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|2,0,0]=4 13220 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,0]=3 13221 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,0]=3 13222 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [2,0,0,0,0,0|2,0,0]=4 13223 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [2,0,0,0,0,0|2,0,0]=4 13224 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,0]=3 13225 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,0]=3 13226 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|2,0,0]=4 13227 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|2,0,0]=4 13228 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [2,0,0,0,0,0|2,0,0]=4 13229 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [2,0,0,0,0,0|2,0,0]=4 13230 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,0]=3 13231 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,0]=3 13232 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,0]=3 13233 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [2,0,0,0,0,0|2,0,0]=4 13234 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [2,0,0,0,0,0|2,0,0]=4 13235 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [2,0,0,0,0,0|2,0,0]=4 13236 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,0]=3 13237 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|2,0,0]=4 13238 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|2,0,0]=4 13239 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|2,0,0]=4 13240 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|2,0,0]=4 13241 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|2,0,0]=4 13242 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|2,0,0]=4 13243 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|2,0,0]=4 13244 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,0]=3 13245 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,0]=3 13246 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,0]=3 13247 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,0]=3 13248 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|2,0,0]=4 13249 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 13250 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|2,0,0]=4 13251 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 13252 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|2,0,0]=4 13253 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,0]=3 13254 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,0]=3 13255 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|2,0,0]=4 13256 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|2,0,0]=4 13257 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 13258 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|2,0,0]=4 13259 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 13260 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 13261 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 13262 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 13263 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|2,0,0]=4 13264 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 13265 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|2,0,0]=4 13266 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,0]=3 13267 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,0]=3 13268 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [2,0,0,0,0,0|2,0,0]=4 13269 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [2,0,0,0,0,0|2,0,0]=4 13270 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,0]=3 13271 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,0]=3 13272 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|2,0,0]=4 13273 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|2,0,0]=4 13274 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|2,0,0]=4 13275 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|2,0,0]=4 13276 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [2,0,0,0,0,0|2,0,0]=4 13277 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [2,0,0,0,0,0|2,0,0]=4 13278 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [2,0,0,0,0,0|2,0,0]=4 13279 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [2,0,0,0,0,0|2,0,0]=4 13280 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|1,0,0]=3 13281 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|1,0,0]=3 13282 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,0]=3 13283 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|1,0,0]=3 13284 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|2,0,0]=4 13285 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|2,0,0]=4 13286 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|2,0,0]=4 13287 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [2,0,0,0,0,0|2,0,0]=4 13288 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [2,0,0,0,0,0|2,0,0]=4 13289 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [2,0,0,0,0,0|2,0,0]=4 13290 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [2,0,0,0,0,0|2,0,0]=4 13291 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [2,0,0,0,0,0|2,0,0]=4 13292 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [2,0,0,0,0,0|2,0,0]=4 13293 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [2,0,0,0,0,0|2,0,0]=4 13294 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [2,0,0,0,0,0|2,0,0]=4 13295 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|2,0,0]=4 13296 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|2,0,0]=4 13297 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|2,0,0]=4 13298 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 13299 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|2,0,0]=4 13300 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 13301 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|2,0,0]=4 13302 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|2,0,0]=4 13303 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 13304 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,0]=3 13305 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,0]=3 13306 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 13307 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|2,0,0]=4 13308 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 13309 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 13310 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 13311 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 13312 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|2,0,0]=4 13313 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 13314 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 13315 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 13316 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 13317 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 13318 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|2,0,0]=4 13319 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|2,0,0]=4 13320 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [2,0,0,0,0,0|2,0,0]=4 13321 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|2,0,0]=4 13322 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|2,0,0]=4 13323 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|2,0,0]=4 13324 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|2,0,0]=4 13325 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|2,0,0]=4 13326 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|2,0,0]=4 13327 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|2,0,0]=4 13328 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [2,0,0,0,0,0|2,0,0]=4 13329 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [2,0,0,0,0,0|2,0,0]=4 13330 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [2,0,0,0,0,0|2,0,0]=4 13331 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [2,0,0,0,0,0|2,0,0]=4 13332 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [2,0,0,0,0,0|2,0,0]=4 13333 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [2,0,0,0,0,0|2,0,0]=4 13334 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [2,0,0,0,0,0|2,0,0]=4 13335 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [2,0,0,0,0,0|2,0,0]=4 13336 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [2,0,0,0,0,0|2,0,0]=4 13337 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [2,0,0,0,0,0|2,0,0]=4 13338 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [2,0,0,0,0,0|2,0,0]=4 13339 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [2,0,0,0,0,0|2,0,0]=4 13340 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [2,0,0,0,0,0|2,0,0]=4 13341 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [2,0,0,0,0,0|2,0,0]=4 13342 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [2,0,0,0,0,0|2,0,0]=4 13343 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,0,0]=3 13344 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,0,0]=3 13345 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|2,0,0]=4 13346 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|2,0,0]=4 13347 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [2,0,0,0,0,0|2,0,0]=4 13348 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [2,0,0,0,0,0|2,0,0]=4 13349 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [2,0,0,0,0,0|2,0,0]=4 13350 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [2,0,0,0,0,0|2,0,0]=4 13351 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [2,0,0,0,0,0|2,0,0]=4 13352 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [2,0,0,0,0,0|2,0,0]=4 13353 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [2,0,0,0,0,0|2,0,0]=4 13354 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 13355 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 13356 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [2,0,0,0,0,0|2,0,0]=4 13357 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [2,0,0,0,0,0|2,0,0]=4 13358 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [2,0,0,0,0,0|2,0,0]=4 13359 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [2,0,0,0,0,0|2,0,0]=4 13360 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 13361 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 13362 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [2,0,0,0,0,0|2,0,0]=4 13363 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [2,0,0,0,0,0|2,0,0]=4 13364 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 13365 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 13366 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 13367 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 13368 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|2,0,0]=4 13369 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 13370 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 13371 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 13372 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,0]=3 13373 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|2,0,0]=4 13374 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|2,0,0]=4 13375 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 13376 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 13377 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 13378 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 13379 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|2,0,0]=4 13380 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 13381 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 13382 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 13383 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 13384 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [2,0,0,0,0,0|2,0,0]=4 13385 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 13386 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [2,0,0,0,0,0|2,0,0]=4 13387 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 13388 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [2,0,0,0,0,0|2,0,0]=4 13389 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [2,0,0,0,0,0|2,0,0]=4 13390 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [2,0,0,0,0,0|2,0,0]=4 13391 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [2,0,0,0,0,0|2,0,0]=4 13392 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 13393 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 13394 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [2,0,0,0,0,0|2,0,0]=4 13395 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [2,0,0,0,0,0|2,0,0]=4 13396 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [2,0,0,0,0,0|2,0,0]=4 13397 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [2,0,0,0,0,0|2,0,0]=4 13398 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [2,0,0,0,0,0|2,0,0]=4 13399 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [2,0,0,0,0,0|2,0,0]=4 13400 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [2,0,0,0,0,0|2,0,0]=4 13401 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [2,0,0,0,0,0|2,0,0]=4 13402 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,0,0]=3 13403 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,0,0]=3 13404 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|2,0,0]=4 13405 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|2,0,0]=4 13406 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [2,0,0,0,0,0|2,0,0]=4 13407 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [2,0,0,0,0,0|2,0,0]=4 13408 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [2,0,0,0,0,0|2,0,0]=4 13409 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 13410 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [2,0,0,0,0,0|2,0,0]=4 13411 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [2,0,0,0,0,0|2,0,0]=4 13412 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 13413 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [2,0,0,0,0,0|2,0,0]=4 13414 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 13415 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|1,0,0]=3 13416 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 13417 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 13418 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 13419 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 13420 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 13421 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 13422 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 13423 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 13424 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|2,0,0]=4 13425 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 13426 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 13427 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,0]=3 13428 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|2,0,0]=4 13429 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 13430 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [2,0,0,0,0,0|2,0,0]=4 13431 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 13432 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [2,0,0,0,0,0|2,0,0]=4 13433 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 13434 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 13435 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [2,0,0,0,0,0|2,0,0]=4 13436 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [2,0,0,0,0,0|2,0,0]=4 13437 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 13438 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 13439 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [2,0,0,0,0,0|2,0,0]=4 13440 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [2,0,0,0,0,0|2,0,0]=4 13441 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [2,0,0,0,0,0|2,0,0]=4 13442 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [2,0,0,0,0,0|2,0,0]=4 13443 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [2,0,0,0,0,0|2,0,0]=4 13444 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [2,0,0,0,0,0|2,0,0]=4 13445 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [2,0,0,0,0,0|2,0,0]=4 13446 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [2,0,0,0,0,0|2,0,0]=4 13447 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,0,0]=3 13448 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,0,0]=3 13449 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 13450 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 13451 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [2,0,0,0,0,0|2,0,0]=4 13452 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [2,0,0,0,0,0|2,0,0]=4 13453 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [2,0,0,0,0,0|2,0,0]=4 13454 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [2,0,0,0,0,0|2,0,0]=4 13455 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [2,0,0,0,0,0|2,0,0]=4 13456 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 13457 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 13458 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 13459 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,0]=3 13460 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 13461 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 13462 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|2,0,0]=4 13463 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 13464 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 13465 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [2,0,0,0,0,0|2,0,0]=4 13466 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 13467 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 13468 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 13469 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 13470 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,0]=3 13471 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|2,0,0]=4 13472 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 13473 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 13474 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 13475 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 13476 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|2,0,0]=4 13477 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|2,0,0]=4 13478 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|2,0,0]=4 13479 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|2,0,0]=4 13480 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [2,0,0,0,0,0|2,0,0]=4 13481 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [2,0,0,0,0,0|2,0,0]=4 13482 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [2,0,0,0,0,0|2,0,0]=4 13483 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [2,0,0,0,0,0|2,0,0]=4 13484 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [2,0,0,0,0,0|2,0,0]=4 13485 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [2,0,0,0,0,0|2,0,0]=4 13486 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 13487 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [2,0,0,0,0,0|2,0,0]=4 13488 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [2,0,0,0,0,0|2,0,0]=4 13489 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [2,0,0,0,0,0|2,0,0]=4 13490 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 13491 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 13492 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|2,0,0]=4 13493 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 13494 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [2,0,0,0,0,0|2,0,0]=4 13495 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [2,0,0,0,0,0|2,0,0]=4 13496 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [2,0,0,0,0,0|2,0,0]=4 13497 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [2,0,0,0,0,0|2,0,0]=4 13498 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 13499 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,0]=3 13500 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 13501 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 13502 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [2,0,0,0,0,0|2,0,0]=4 13503 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [2,0,0,0,0,0|2,0,0]=4 13504 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [2,0,0,0,0,0|2,0,0]=4 13505 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [2,0,0,0,0,0|2,0,0]=4 13506 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [2,0,0,0,0,0|2,0,0]=4 13507 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [2,0,0,0,0,0|2,0,0]=4 13508 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [2,0,0,0,0,0|2,0,0]=4 13509 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [2,0,0,0,0,0|2,0,0]=4 13510 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [2,0,0,0,0,0|2,0,0]=4 13511 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [2,0,0,0,0,0|2,0,0]=4 13512 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 13513 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 13514 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [2,0,0,0,0,0|2,0,0]=4 13515 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [2,0,0,0,0,0|2,0,0]=4 13516 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 13517 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 13518 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [2,0,0,0,0,0|2,0,0]=4 13519 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [2,0,0,0,0,0|2,0,0]=4 13520 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [2,0,0,0,0,0|2,0,0]=4 13521 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [2,0,0,0,0,0|2,0,0]=4 13522 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [2,0,0,0,0,0|2,0,0]=4 13523 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 13524 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [2,0,0,0,0,0|2,0,0]=4 13525 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 13526 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 13527 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [2,0,0,0,0,0|2,0,0]=4 13528 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 13529 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [2,0,0,0,0,0|2,0,0]=4 13530 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 13531 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [2,0,0,0,0,0|2,0,0]=4 13532 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [2,0,0,0,0,0|2,0,0]=4 13533 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 13534 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 13535 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 13536 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [2,0,0,0,0,0|2,0,0]=4 13537 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 13538 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [2,0,0,0,0,0|2,0,0]=4 13539 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 13540 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 13541 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [2,0,0,0,0,0|2,0,0]=4 13542 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [2,0,0,0,0,0|2,0,0]=4 13543 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [2,0,0,0,0,0|2,0,0]=4 13544 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [2,0,0,0,0,0|2,0,0]=4 13545 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [2,0,0,0,0,0|2,0,0]=4 13546 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 13547 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [2,0,0,0,0,0|2,0,0]=4 13548 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [2,0,0,0,0,0|2,0,0]=4 13549 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [2,0,0,0,0,0|2,0,0]=4 13550 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 13551 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [2,0,0,0,0,0|2,0,0]=4 13552 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [2,0,0,0,0,0|2,0,0]=4 13553 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [2,0,0,0,0,0|2,0,0]=4 13554 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [2,0,0,0,0,0|2,0,0]=4 13555 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [2,0,0,0,0,0|2,0,0]=4 13556 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [2,0,0,0,0,0|2,0,0]=4 13557 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [2,0,0,0,0,0|2,0,0]=4 13558 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 13559 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 13560 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 13561 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 13562 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 13563 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 13564 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [2,0,0,0,0,0|2,0,0]=4 13565 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [2,0,0,0,0,0|2,0,0]=4 13566 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 13567 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 13568 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 13569 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 13570 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 13571 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 13572 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 13573 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 13574 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,0]=3 13575 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [1,1,0,0,0,0|2,0,0]=4 13576 B11R0.4 CC(CCN)COCCCCO 34a_106354213184_100011216708 [1,1,0,0,0,0|2,0,0]=4 13577 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [1,1,0,0,0,0|2,0,0]=4 13578 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [1,1,0,0,0,0|2,0,0]=4 13579 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [1,1,0,0,0,0|2,0,0]=4 13580 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [1,1,0,0,0,0|2,0,0]=4 13581 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [1,1,0,0,0,0|2,0,0]=4 13582 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [1,1,0,0,0,0|2,0,0]=4 13583 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [1,1,0,0,0,0|2,0,0]=4 13584 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [1,1,0,0,0,0|2,0,0]=4 13585 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [1,1,0,0,0,0|2,0,0]=4 13586 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [1,1,0,0,0,0|2,0,0]=4 13587 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [1,1,0,0,0,0|2,0,0]=4 13588 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [1,1,0,0,0,0|2,0,0]=4 13589 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [1,1,0,0,0,0|2,0,0]=4 13590 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [1,1,0,0,0,0|1,0,1]=4 13591 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,1,0,0,0,0|0,0,1]=3 13592 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,1,0,0,0,0|0,0,1]=3 13593 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,1,0,0,0,0|1,0,1]=4 13594 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [1,1,0,0,0,0|1,0,1]=4 13595 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [1,1,0,0,0,0|1,0,1]=4 13596 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [1,1,0,0,0,0|1,0,1]=4 13597 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [1,1,0,0,0,0|1,0,1]=4 13598 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [1,1,0,0,0,0|2,0,0]=4 13599 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [1,1,0,0,0,0|2,0,0]=4 13600 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [1,1,0,0,0,0|1,0,0]=3 13601 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [1,1,0,0,0,0|1,0,0]=3 13602 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [1,1,0,0,0,0|2,0,0]=4 13603 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [1,1,0,0,0,0|2,0,0]=4 13604 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [1,1,0,0,0,0|2,0,0]=4 13605 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [1,1,0,0,0,0|1,0,0]=3 13606 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [1,1,0,0,0,0|1,0,0]=3 13607 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [1,1,0,0,0,0|2,0,0]=4 13608 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [1,1,0,0,0,0|2,0,0]=4 13609 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [1,1,0,0,0,0|2,0,0]=4 13610 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [1,1,0,0,0,0|2,0,0]=4 13611 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [1,1,0,0,0,0|1,0,0]=3 13612 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [1,1,0,0,0,0|1,0,0]=3 13613 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [1,1,0,0,0,0|1,0,0]=3 13614 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [1,1,0,0,0,0|2,0,0]=4 13615 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [1,1,0,0,0,0|2,0,0]=4 13616 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [1,1,0,0,0,0|2,0,0]=4 13617 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [1,1,0,0,0,0|2,0,0]=4 13618 B11R0.4 CCCC(C)CNCCOCC 2230a_102516460346_100011216630 [1,1,0,0,0,0|2,0,0]=4 13619 B11R0.4 CCCC(C)CNCCOCC 270004a_102516460346_100000243154 [1,1,0,0,0,0|2,0,0]=4 13620 B11R0.4 CCCC(C)CNCCOCC 34a_102516460346_100011216630 [1,1,0,0,0,0|2,0,0]=4 13621 B11R0.4 CCCC(C)CNCCSCC 2230a_100000106463_100011216630 [1,1,0,0,0,0|2,0,0]=4 13622 B11R0.4 CCCC(C)CNCCSCC 270004a_100000106463_100000243154 [1,1,0,0,0,0|2,0,0]=4 13623 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [1,1,0,0,0,0|2,0,0]=4 13624 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [1,1,0,0,0,0|2,0,0]=4 13625 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [1,1,0,0,0,0|2,0,0]=4 13626 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [1,1,0,0,0,0|2,0,0]=4 13627 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [1,1,0,0,0,0|2,0,0]=4 13628 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [1,1,0,0,0,0|2,0,0]=4 13629 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [1,1,0,0,0,0|2,0,0]=4 13630 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [1,1,0,0,0,0|2,0,0]=4 13631 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [1,1,0,0,0,0|2,0,0]=4 13632 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [1,1,0,0,0,0|1,0,0]=3 13633 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [1,1,0,0,0,0|1,0,0]=3 13634 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [1,1,0,0,0,0|2,0,0]=4 13635 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [1,1,0,0,0,0|2,0,0]=4 13636 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [1,1,0,0,0,0|2,0,0]=4 13637 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [1,1,0,0,0,0|2,0,0]=4 13638 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [1,1,0,0,0,0|2,0,0]=4 13639 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [1,1,0,0,0,0|2,0,0]=4 13640 B11R0.4 CCCC(C)COCCOCC 34a_100000210136_100011216630 [1,1,0,0,0,0|2,0,0]=4 13641 B11R0.4 CCCC(C)COCCOCC 34a_100000688023_100000210147 [1,1,0,0,0,0|2,0,0]=4 13642 B11R0.4 CCCC(C)COCCOCC 7a_100000210136_100011216630 [1,1,0,0,0,0|2,0,0]=4 13643 B11R0.4 CCCC(C)COCCOCC 7a_100000688023_100011215890 [1,1,0,0,0,0|2,0,0]=4 13644 B11R0.4 CCCC(C)COCCSCC 34a_100000212035_100011216630 [1,1,0,0,0,0|2,0,0]=4 13645 B11R0.4 CCCC(C)COCCSCC 34a_100000688023_100000757381 [1,1,0,0,0,0|2,0,0]=4 13646 B11R0.4 CCCC(C)COCCSCC 7a_100000212035_100011216630 [1,1,0,0,0,0|2,0,0]=4 13647 B11R0.4 CCCC(C)COCCSCC 7a_100000688023_100000757381 [1,1,0,0,0,0|2,0,0]=4 13648 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [1,1,0,0,0,0|2,0,0]=4 13649 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [1,1,0,0,0,0|2,0,0]=4 13650 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [1,1,0,0,0,0|1,0,0]=3 13651 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [1,1,0,0,0,0|1,0,0]=3 13652 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [1,1,0,0,0,0|2,0,0]=4 13653 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [1,1,0,0,0,0|2,0,0]=4 13654 B11R0.4 CCCC(C)CSCCOCC 62a_100000210147_100011216630 [1,1,0,0,0,0|2,0,0]=4 13655 B11R0.4 CCCC(C)CSCCOCC 62a_100011216630_100011215890 [1,1,0,0,0,0|2,0,0]=4 13656 B11R0.4 CCCC(C)CSCCSCC 62a_100000757381_100011216630 [1,1,0,0,0,0|2,0,0]=4 13657 B11R0.4 CCCC(C)CSCCSCC 62a_100011216630_100000757381 [1,1,0,0,0,0|2,0,0]=4 13658 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [1,1,0,0,0,0|2,0,0]=4 13659 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [1,1,0,0,0,0|1,0,0]=3 13660 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [1,1,0,0,0,0|1,0,0]=3 13661 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [1,1,0,0,0,0|1,0,0]=3 13662 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [1,1,0,0,0,0|1,0,0]=3 13663 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [1,1,0,0,0,0|2,0,0]=4 13664 B11R0.4 CCCC(C)NCCCOCC 2230a_100000210961_100000766640 [1,1,0,0,0,0|2,0,0]=4 13665 B11R0.4 CCCC(C)NCCCOCC 2230a_100000741246_100012232248 [1,1,0,0,0,0|2,0,0]=4 13666 B11R0.4 CCCC(C)NCCCOCC 270004a_100000210961_100000211909 [1,1,0,0,0,0|2,0,0]=4 13667 B11R0.4 CCCC(C)NCCCOCC 34a_100000210961_100000766640 [1,1,0,0,0,0|2,0,0]=4 13668 B11R0.4 CCCC(C)NCCOCCO 2230a_100000211614_100000766640 [1,1,0,0,0,0|2,0,0]=4 13669 B11R0.4 CCCC(C)NCCOCCO 2230a_100000741246_100011215305 [1,1,0,0,0,0|2,0,0]=4 13670 B11R0.4 CCCC(C)NCCOCCO 270004a_100000211614_100000211909 [1,1,0,0,0,0|2,0,0]=4 13671 B11R0.4 CCCC(C)NCCOCCO 34a_100000211614_100000766640 [1,1,0,0,0,0|2,0,0]=4 13672 B11R0.4 CCCC(C)NCCSCCO 2230a_100011219999_100000766640 [1,1,0,0,0,0|2,0,0]=4 13673 B11R0.4 CCCC(C)NCCSCCO 270004a_100011219999_100000211909 [1,1,0,0,0,0|2,0,0]=4 13674 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [1,1,0,0,0,0|2,0,0]=4 13675 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [1,1,0,0,0,0|2,0,0]=4 13676 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [1,1,0,0,0,0|2,0,0]=4 13677 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [1,1,0,0,0,0|2,0,0]=4 13678 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [1,1,0,0,0,0|2,0,0]=4 13679 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [1,1,0,0,0,0|2,0,0]=4 13680 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [1,1,0,0,0,0|2,0,0]=4 13681 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [1,1,0,0,0,0|2,0,0]=4 13682 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [1,1,0,0,0,0|2,0,0]=4 13683 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [1,1,0,0,0,0|1,0,0]=3 13684 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [1,1,0,0,0,0|1,0,0]=3 13685 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [1,1,0,0,0,0|2,0,0]=4 13686 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [1,1,0,0,0,0|2,0,0]=4 13687 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [1,1,0,0,0,0|2,0,0]=4 13688 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [1,1,0,0,0,0|2,0,0]=4 13689 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [1,1,0,0,0,0|2,0,0]=4 13690 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [1,1,0,0,0,0|2,0,0]=4 13691 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [1,1,0,0,0,0|2,0,0]=4 13692 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [1,1,0,0,0,0|2,0,0]=4 13693 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [1,1,0,0,0,0|2,0,0]=4 13694 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [1,1,0,0,0,0|2,0,0]=4 13695 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [1,1,0,0,0,0|2,0,0]=4 13696 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [1,1,0,0,0,0|2,0,0]=4 13697 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [1,1,0,0,0,0|2,0,0]=4 13698 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [1,1,0,0,0,0|2,0,0]=4 13699 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [1,1,0,0,0,0|2,0,0]=4 13700 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [1,1,0,0,0,0|1,0,0]=3 13701 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [1,1,0,0,0,0|1,0,0]=3 13702 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [1,1,0,0,0,0|2,0,0]=4 13703 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [1,1,0,0,0,0|2,0,0]=4 13704 B11R0.4 CCCC(C)SCCCOCC 62a_100000766640_100012232248 [1,1,0,0,0,0|2,0,0]=4 13705 B11R0.4 CCCC(C)SCCCOCC 62a_100012232248_100000766640 [1,1,0,0,0,0|2,0,0]=4 13706 B11R0.4 CCCC(C)SCCOCCO 62a_100000766640_100011215305 [1,1,0,0,0,0|2,0,0]=4 13707 B11R0.4 CCCC(C)SCCOCCO 62a_100011215305_100000766640 [1,1,0,0,0,0|2,0,0]=4 13708 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,1,0,0,0,0|0,0,1]=3 13709 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,1,0,0,0,0|0,0,1]=3 13710 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,1,0,0,0,0|1,0,1]=4 13711 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,1,0,0,0,0|0,0,1]=3 13712 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,1,0,0,0,0|0,0,1]=3 13713 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,1,0,0,0,0|1,0,1]=4 13714 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [1,1,0,0,0,0|1,0,1]=4 13715 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,1,0,0,0,0|1,0,1]=4 13716 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,1,0,0,0,0|1,0,1]=4 13717 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,1,0,0,0,0|1,0,1]=4 13718 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,1,0,0,0,0|1,0,0]=3 13719 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,1,0,0,0,0|1,0,0]=3 13720 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,1,0,0,0,0|1,0,0]=3 13721 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,1,0,0,0,0|1,0,0]=3 13722 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,1,0,0,0,0|1,0,0]=3 13723 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [1,1,0,0,0,0|2,0,0]=4 13724 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [1,1,0,0,0,0|2,0,0]=4 13725 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,1,0,0,0,0|1,0,0]=3 13726 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,1,0,0,0,0|1,0,0]=3 13727 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [1,1,0,0,0,0|2,0,0]=4 13728 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [1,1,0,0,0,0|2,0,0]=4 13729 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [1,1,0,0,0,0|1,0,0]=3 13730 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [1,1,0,0,0,0|1,0,0]=3 13731 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [1,1,0,0,0,0|1,0,0]=3 13732 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [1,1,0,0,0,0|1,0,0]=3 13733 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [1,1,0,0,0,0|2,0,0]=4 13734 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [1,1,0,0,0,0|2,0,0]=4 13735 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [1,1,0,0,0,0|1,0,0]=3 13736 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [1,1,0,0,0,0|1,0,0]=3 13737 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [1,1,0,0,0,0|1,0,0]=3 13738 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [1,1,0,0,0,0|1,0,0]=3 13739 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [1,1,0,0,0,0|2,0,0]=4 13740 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [1,1,0,0,0,0|2,0,0]=4 13741 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [1,1,0,0,0,0|2,0,0]=4 13742 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [1,1,0,0,0,0|2,0,0]=4 13743 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [1,1,0,0,0,0|1,0,1]=4 13744 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [1,1,0,0,0,0|1,0,1]=4 13745 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [1,1,0,0,0,0|1,0,1]=4 13746 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [1,1,0,0,0,0|1,0,1]=4 13747 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [1,1,0,0,0,0|1,0,1]=4 13748 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [1,1,0,0,0,0|1,0,0]=3 13749 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [1,1,0,0,0,0|1,0,0]=3 13750 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [1,1,0,0,0,0|1,0,0]=3 13751 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [1,1,0,0,0,0|1,0,0]=3 13752 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [1,1,0,0,0,0|2,0,0]=4 13753 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [1,1,0,0,0,0|2,0,0]=4 13754 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [1,1,0,0,0,0|2,0,0]=4 13755 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [1,1,0,0,0,0|1,0,0]=3 13756 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,0]=3 13757 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [1,1,0,0,0,0|2,0,0]=4 13758 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [1,1,0,0,0,0|2,0,0]=4 13759 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [1,1,0,0,0,0|1,0,0]=3 13760 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [1,1,0,0,0,0|1,0,0]=3 13761 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [1,1,0,0,0,0|1,0,0]=3 13762 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [1,1,0,0,0,0|1,0,0]=3 13763 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [1,1,0,0,0,0|1,0,0]=3 13764 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [1,1,0,0,0,0|1,0,0]=3 13765 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [1,1,0,0,0,0|2,0,0]=4 13766 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [1,1,0,0,0,0|2,0,0]=4 13767 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [1,1,0,0,0,0|2,0,0]=4 13768 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [1,1,0,0,0,0|1,0,0]=3 13769 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [1,1,0,0,0,0|1,0,0]=3 13770 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [1,1,0,0,0,0|1,0,0]=3 13771 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [1,1,0,0,0,0|1,0,0]=3 13772 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [1,1,0,0,0,0|2,0,0]=4 13773 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [1,1,0,0,0,0|2,0,0]=4 13774 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [1,1,0,0,0,0|1,0,1]=4 13775 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [1,1,0,0,0,0|1,0,0]=3 13776 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [1,1,0,0,0,0|1,0,0]=3 13777 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [1,1,0,0,0,0|2,0,0]=4 13778 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [1,1,0,0,0,0|2,0,0]=4 13779 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [1,1,0,0,0,0|1,0,1]=4 13780 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [1,1,0,0,0,0|1,0,0]=3 13781 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [1,1,0,0,0,0|1,0,0]=3 13782 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [1,1,0,0,0,0|1,0,0]=3 13783 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [1,1,0,0,0,0|1,0,0]=3 13784 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [1,1,0,0,0,0|2,0,0]=4 13785 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [1,1,0,0,0,0|2,0,0]=4 13786 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [1,1,0,0,0,0|2,0,0]=4 13787 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [1,1,0,0,0,0|2,0,0]=4 13788 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [1,1,0,0,0,0|1,0,0]=3 13789 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [1,1,0,0,0,0|1,0,1]=4 13790 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [1,1,0,0,0,0|1,0,1]=4 13791 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [1,1,0,0,0,0|1,0,0]=3 13792 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [1,1,0,0,0,0|1,0,0]=3 13793 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [1,1,0,0,0,0|2,0,0]=4 13794 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [1,1,0,0,0,0|2,0,0]=4 13795 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,1,0,0,0,0|1,0,1]=4 13796 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,1,0,0,0,0|1,0,1]=4 13797 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [1,1,0,0,0,0|1,0,0]=3 13798 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [1,1,0,0,0,0|1,0,0]=3 13799 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [1,1,0,0,0,0|2,0,0]=4 13800 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [1,1,0,0,0,0|2,0,0]=4 13801 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [1,1,0,0,0,0|2,0,0]=4 13802 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [1,1,0,0,0,0|2,0,0]=4 13803 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [1,1,0,0,0,0|1,0,0]=3 13804 B11R0.4 CCCCOCNC(C)CCC 2230a_100000741246_100011995733 [1,1,0,0,0,0|2,0,0]=4 13805 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [1,1,0,0,0,0|2,0,0]=4 13806 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [1,1,0,0,0,0|2,0,0]=4 13807 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [1,1,0,0,0,0|2,0,0]=4 13808 B11R0.4 CCCCOCSC(C)CCC 62a_100000766640_100011995733 [1,1,0,0,0,0|2,0,0]=4 13809 B11R0.4 CCCCOCSC(C)CCC 62a_100011995733_100000766640 [1,1,0,0,0,0|2,0,0]=4 13810 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [1,1,0,0,0,0|2,0,0]=4 13811 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [1,1,0,0,0,0|2,0,0]=4 13812 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [1,1,0,0,0,0|2,0,0]=4 13813 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [1,1,0,0,0,0|2,0,0]=4 13814 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [1,1,0,0,0,0|1,0,0]=3 13815 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [1,1,0,0,0,0|1,0,0]=3 13816 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [1,1,0,0,0,0|1,0,0]=3 13817 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [1,1,0,0,0,0|1,0,0]=3 13818 B11R0.4 CCCOCCNC(C)CCC 2230a_100000741246_100011215938 [1,1,0,0,0,0|2,0,0]=4 13819 B11R0.4 CCCOCCNC(C)CCC 2230a_100161115042_100000766640 [1,1,0,0,0,0|2,0,0]=4 13820 B11R0.4 CCCOCCNC(C)CCC 270004a_100161115042_100000211909 [1,1,0,0,0,0|2,0,0]=4 13821 B11R0.4 CCCOCCNC(C)CCC 34a_100161115042_100000766640 [1,1,0,0,0,0|2,0,0]=4 13822 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [1,1,0,0,0,0|2,0,0]=4 13823 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [1,1,0,0,0,0|2,0,0]=4 13824 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [1,1,0,0,0,0|2,0,0]=4 13825 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [1,1,0,0,0,0|2,0,0]=4 13826 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [1,1,0,0,0,0|2,0,0]=4 13827 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [1,1,0,0,0,0|2,0,0]=4 13828 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [1,1,0,0,0,0|2,0,0]=4 13829 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [1,1,0,0,0,0|2,0,0]=4 13830 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [1,1,0,0,0,0|2,0,0]=4 13831 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [1,1,0,0,0,0|2,0,0]=4 13832 B11R0.4 CCCOCCSC(C)CCC 62a_100000766640_100011215938 [1,1,0,0,0,0|2,0,0]=4 13833 B11R0.4 CCCOCCSC(C)CCC 62a_100011215938_100000766640 [1,1,0,0,0,0|2,0,0]=4 13834 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [1,1,0,0,0,0|2,0,0]=4 13835 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [1,1,0,0,0,0|2,0,0]=4 13836 B11R0.4 CCCSCCNC(C)CCC 2230a_100020603323_100000766640 [1,1,0,0,0,0|2,0,0]=4 13837 B11R0.4 CCCSCCNC(C)CCC 270004a_100020603323_100000211909 [1,1,0,0,0,0|2,0,0]=4 13838 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [1,1,0,0,0,0|2,0,0]=4 13839 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [1,1,0,0,0,0|2,0,0]=4 13840 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [1,1,0,0,0,0|2,0,0]=4 13841 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [1,1,0,0,0,0|2,0,0]=4 13842 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [1,1,0,0,0,0|2,0,0]=4 13843 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [1,1,0,0,0,0|2,0,0]=4 13844 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [1,1,0,0,0,0|1,0,0]=3 13845 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [1,1,0,0,0,0|2,0,0]=4 13846 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [1,1,0,0,0,0|2,0,0]=4 13847 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [1,1,0,0,0,0|2,0,0]=4 13848 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [1,1,0,0,0,0|1,0,0]=3 13849 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [1,1,0,0,0,0|2,0,0]=4 13850 B11R0.4 CCC[C@H](N)COCCOCC 34a_100000732646_100000210147 [1,1,0,0,0,0|2,0,0]=4 13851 B11R0.4 CCC[C@H](N)COCCSCC 34a_100000732646_100000757381 [1,1,0,0,0,0|2,0,0]=4 13852 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [1,1,0,0,0,0|1,0,1]=4 13853 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [1,1,0,0,0,0|2,0,0]=4 13854 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [1,1,0,0,0,0|2,0,0]=4 13855 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [1,1,0,0,0,0|2,0,0]=4 13856 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [1,1,0,0,0,0|2,0,0]=4 13857 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [1,1,0,0,0,0|2,0,0]=4 13858 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [1,1,0,0,0,0|2,0,0]=4 13859 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [1,1,0,0,0,0|2,0,0]=4 13860 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [1,1,0,0,0,0|2,0,0]=4 13861 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [1,1,0,0,0,0|2,0,0]=4 13862 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [1,1,0,0,0,0|2,0,0]=4 13863 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [1,1,0,0,0,0|2,0,0]=4 13864 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [1,1,0,0,0,0|2,0,0]=4 13865 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [1,1,0,0,0,0|2,0,0]=4 13866 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [1,1,0,0,0,0|2,0,0]=4 13867 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [1,1,0,0,0,0|1,0,1]=4 13868 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [1,1,0,0,0,0|2,0,0]=4 13869 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [1,1,0,0,0,0|2,0,0]=4 13870 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [1,1,0,0,0,0|2,0,0]=4 13871 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [1,1,0,0,0,0|2,0,0]=4 13872 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [1,1,0,0,0,0|2,0,0]=4 13873 B11R0.4 COCC(N)COCCCCO 34a_100000724102_100011216708 [1,1,0,0,0,0|2,0,0]=4 13874 B11R0.4 COCC(O)CNCCCCO 2230a_100000756049_100000210776 [1,1,0,0,0,0|2,0,0]=4 13875 B11R0.4 COCC(O)CNCCCCO 34a_100000750430_100011215053 [1,1,0,0,0,0|2,0,0]=4 13876 B11R0.4 COCC(O)CNCCCCO 34a_100000756049_100011216708 [1,1,0,0,0,0|2,0,0]=4 13877 B11R0.4 COCC(O)CSCCCCO 62a_100000210776_100011215053 [1,1,0,0,0,0|2,0,0]=4 13878 B11R0.4 COCC(O)CSCCCCO 62a_100011215053_100000210776 [1,1,0,0,0,0|2,0,0]=4 13879 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,1,0,0,0,0|1,0,1]=4 13880 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [1,1,0,0,0,0|2,0,0]=4 13881 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [1,1,0,0,0,0|2,0,0]=4 13882 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [1,1,0,0,0,0|2,0,0]=4 13883 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [1,1,0,0,0,0|2,0,0]=4 13884 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [1,1,0,0,0,0|2,0,0]=4 13885 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [1,1,0,0,0,0|2,0,0]=4 13886 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [1,1,0,0,0,0|2,0,0]=4 13887 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [1,1,0,0,0,0|1,0,1]=4 13888 B11R0.4 CSCC(C)NCCCCCO 270004a_100000762737_100011216314 [1,1,0,0,0,0|2,0,0]=4 13889 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [1,1,0,0,0,0|2,0,0]=4 13890 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [1,1,0,0,0,0|2,0,0]=4 13891 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [1,1,0,0,0,0|2,0,0]=4 13892 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [1,1,0,0,0,0|2,0,0]=4 13893 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [1,1,0,0,0,0|2,0,0]=4 13894 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|2,0,0]=4 13895 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [1,1,0,0,0,0|1,0,1]=4 13896 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [1,1,0,0,0,0|1,0,1]=4 13897 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [1,1,0,0,0,0|1,0,1]=4 13898 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [1,1,0,0,0,0|1,0,1]=4 13899 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [1,1,0,0,0,0|2,0,0]=4 13900 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [1,1,0,0,0,0|2,0,0]=4 13901 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [1,1,0,0,0,0|2,0,0]=4 13902 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [1,1,0,0,0,0|2,0,0]=4 13903 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [1,1,0,0,0,0|2,0,0]=4 13904 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [1,1,0,0,0,0|2,0,0]=4 13905 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [1,1,0,0,0,0|2,0,0]=4 13906 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [1,1,0,0,0,0|2,0,0]=4 13907 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [1,1,0,0,0,0|2,0,0]=4 13908 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [1,1,0,0,0,0|2,0,0]=4 13909 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [1,1,0,0,0,0|2,0,0]=4 13910 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [1,1,0,0,0,0|2,0,0]=4 13911 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [1,1,0,0,0,0|2,0,0]=4 13912 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [1,1,0,0,0,0|2,0,0]=4 13913 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [1,1,0,0,0,0|2,0,0]=4 13914 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [1,1,0,0,0,0|2,0,0]=4 13915 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [1,1,0,0,0,0|2,0,0]=4 13916 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [1,1,0,0,0,0|2,0,0]=4 13917 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [1,1,0,0,0,0|2,0,0]=4 13918 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [1,1,0,0,0,0|2,0,0]=4 13919 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [1,1,0,0,0,0|2,0,0]=4 13920 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|0,0,1]=3 13921 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|0,0,1]=3 13922 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,1,0,0,0,0|1,0,1]=4 13923 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [1,1,0,0,0,0|1,0,1]=4 13924 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [1,1,0,0,0,0|1,0,1]=4 13925 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [1,1,0,0,0,0|1,0,1]=4 13926 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [1,1,0,0,0,0|1,0,1]=4 13927 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [1,1,0,0,0,0|1,0,1]=4 13928 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [1,1,0,0,0,0|2,0,0]=4 13929 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [1,1,0,0,0,0|2,0,0]=4 13930 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [1,1,0,0,0,0|1,0,0]=3 13931 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [1,1,0,0,0,0|2,0,0]=4 13932 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [1,1,0,0,0,0|2,0,0]=4 13933 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [1,1,0,0,0,0|2,0,0]=4 13934 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [1,1,0,0,0,0|1,0,0]=3 13935 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [1,1,0,0,0,0|2,0,0]=4 13936 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [1,1,0,0,0,0|2,0,0]=4 13937 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [1,1,0,0,0,0|1,0,0]=3 13938 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [1,1,0,0,0,0|2,0,0]=4 13939 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [1,1,0,0,0,0|2,0,0]=4 13940 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [1,1,0,0,0,0|1,0,0]=3 13941 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [1,1,0,0,0,0|1,0,0]=3 13942 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [1,1,0,0,0,0|1,0,0]=3 13943 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [1,1,0,0,0,0|1,0,0]=3 13944 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [1,1,0,0,0,0|2,0,0]=4 13945 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [1,1,0,0,0,0|2,0,0]=4 13946 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [1,1,0,0,0,0|2,0,0]=4 13947 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [1,1,0,0,0,0|2,0,0]=4 13948 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [1,1,0,0,0,0|2,0,0]=4 13949 B11R0.40 CCC(C)CNCCSCCO 2230a_100011219999_100000748023 [1,1,0,0,0,0|2,0,0]=4 13950 B11R0.40 CCC(C)CNCCSCCO 270004a_100011219999_100000243153 [1,1,0,0,0,0|2,0,0]=4 13951 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [1,1,0,0,0,0|2,0,0]=4 13952 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [1,1,0,0,0,0|2,0,0]=4 13953 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [1,1,0,0,0,0|2,0,0]=4 13954 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [1,1,0,0,0,0|2,0,0]=4 13955 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [1,1,0,0,0,0|2,0,0]=4 13956 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [1,1,0,0,0,0|2,0,0]=4 13957 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [1,1,0,0,0,0|2,0,0]=4 13958 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [1,1,0,0,0,0|2,0,0]=4 13959 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [1,1,0,0,0,0|2,0,0]=4 13960 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [1,1,0,0,0,0|2,0,0]=4 13961 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [1,1,0,0,0,0|2,0,0]=4 13962 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [1,1,0,0,0,0|2,0,0]=4 13963 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [1,1,0,0,0,0|1,0,0]=3 13964 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [1,1,0,0,0,0|1,0,0]=3 13965 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [1,1,0,0,0,0|2,0,0]=4 13966 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [1,1,0,0,0,0|2,0,0]=4 13967 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [1,1,0,0,0,0|2,0,0]=4 13968 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [1,1,0,0,0,0|2,0,0]=4 13969 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [1,1,0,0,0,0|2,0,0]=4 13970 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [1,1,0,0,0,0|1,0,0]=3 13971 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [1,1,0,0,0,0|1,0,0]=3 13972 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [1,1,0,0,0,0|1,0,0]=3 13973 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [1,1,0,0,0,0|2,0,0]=4 13974 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [1,1,0,0,0,0|2,0,0]=4 13975 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [1,1,0,0,0,0|2,0,0]=4 13976 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [1,1,0,0,0,0|2,0,0]=4 13977 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [1,1,0,0,0,0|2,0,0]=4 13978 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [1,1,0,0,0,0|2,0,0]=4 13979 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [1,1,0,0,0,0|2,0,0]=4 13980 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [1,1,0,0,0,0|2,0,0]=4 13981 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [1,1,0,0,0,0|2,0,0]=4 13982 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [1,1,0,0,0,0|2,0,0]=4 13983 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [1,1,0,0,0,0|1,0,0]=3 13984 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [1,1,0,0,0,0|2,0,0]=4 13985 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [1,1,0,0,0,0|2,0,0]=4 13986 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [1,1,0,0,0,0|2,0,0]=4 13987 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [1,1,0,0,0,0|1,0,0]=3 13988 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [1,1,0,0,0,0|1,0,0]=3 13989 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [1,1,0,0,0,0|2,0,0]=4 13990 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [1,1,0,0,0,0|1,0,0]=3 13991 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [1,1,0,0,0,0|1,0,0]=3 13992 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [1,1,0,0,0,0|1,0,0]=3 13993 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [1,1,0,0,0,0|2,0,0]=4 13994 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [1,1,0,0,0,0|2,0,0]=4 13995 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [1,1,0,0,0,0|2,0,0]=4 13996 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [1,1,0,0,0,0|2,0,0]=4 13997 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [1,1,0,0,0,0|2,0,0]=4 13998 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [1,1,0,0,0,0|2,0,0]=4 13999 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [1,1,0,0,0,0|2,0,0]=4 14000 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [1,1,0,0,0,0|2,0,0]=4 14001 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [1,1,0,0,0,0|2,0,0]=4 14002 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [1,1,0,0,0,0|2,0,0]=4 14003 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [1,1,0,0,0,0|2,0,0]=4 14004 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [1,1,0,0,0,0|2,0,0]=4 14005 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [1,1,0,0,0,0|2,0,0]=4 14006 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [1,1,0,0,0,0|2,0,0]=4 14007 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [1,1,0,0,0,0|2,0,0]=4 14008 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [1,1,0,0,0,0|2,0,0]=4 14009 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [1,1,0,0,0,0|2,0,0]=4 14010 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [1,1,0,0,0,0|1,0,0]=3 14011 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [1,1,0,0,0,0|1,0,0]=3 14012 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [1,1,0,0,0,0|2,0,0]=4 14013 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [1,1,0,0,0,0|2,0,0]=4 14014 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [1,1,0,0,0,0|2,0,0]=4 14015 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [1,1,0,0,0,0|2,0,0]=4 14016 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|0,0,1]=3 14017 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|0,0,1]=3 14018 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,1]=4 14019 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,1]=3 14020 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|1,0,1]=4 14021 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 14022 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 14023 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 14024 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,1,0,0,0,0|1,0,0]=3 14025 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|1,0,0]=3 14026 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|1,0,0]=3 14027 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|1,0,0]=3 14028 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|1,0,0]=3 14029 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,1,0,0,0,0|1,0,0]=3 14030 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,1,0,0,0,0|1,0,0]=3 14031 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,1,0,0,0,0|1,0,0]=3 14032 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,1,0,0,0,0|1,0,0]=3 14033 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [1,1,0,0,0,0|2,0,0]=4 14034 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 14035 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 14036 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 14037 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 14038 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,1]=4 14039 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,1]=4 14040 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [1,1,0,0,0,0|1,0,0]=3 14041 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [1,1,0,0,0,0|1,0,0]=3 14042 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [1,1,0,0,0,0|1,0,0]=3 14043 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [1,1,0,0,0,0|1,0,0]=3 14044 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,1,0,0,0,0|1,0,0]=3 14045 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,1,0,0,0,0|1,0,0]=3 14046 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,1,0,0,0,0|1,0,0]=3 14047 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [1,1,0,0,0,0|2,0,0]=4 14048 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [1,1,0,0,0,0|2,0,0]=4 14049 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [1,1,0,0,0,0|2,0,0]=4 14050 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [1,1,0,0,0,0|1,0,0]=3 14051 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [1,1,0,0,0,0|1,0,0]=3 14052 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [1,1,0,0,0,0|1,0,0]=3 14053 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [1,1,0,0,0,0|1,0,0]=3 14054 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [1,1,0,0,0,0|1,0,0]=3 14055 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [1,1,0,0,0,0|2,0,0]=4 14056 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [1,1,0,0,0,0|2,0,0]=4 14057 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [1,1,0,0,0,0|1,0,0]=3 14058 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [1,1,0,0,0,0|1,0,0]=3 14059 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [1,1,0,0,0,0|1,0,0]=3 14060 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [1,1,0,0,0,0|1,0,0]=3 14061 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [1,1,0,0,0,0|1,0,0]=3 14062 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [1,1,0,0,0,0|1,0,0]=3 14063 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [1,1,0,0,0,0|1,0,0]=3 14064 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [1,1,0,0,0,0|1,0,0]=3 14065 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [1,1,0,0,0,0|1,0,0]=3 14066 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [1,1,0,0,0,0|1,0,0]=3 14067 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [1,1,0,0,0,0|1,0,0]=3 14068 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [1,1,0,0,0,0|2,0,0]=4 14069 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [1,1,0,0,0,0|1,0,0]=3 14070 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [1,1,0,0,0,0|2,0,0]=4 14071 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [1,1,0,0,0,0|1,0,0]=3 14072 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [1,1,0,0,0,0|1,0,0]=3 14073 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,1,0,0,0,0|1,0,1]=4 14074 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,1,0,0,0,0|1,0,1]=4 14075 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [1,1,0,0,0,0|1,0,0]=3 14076 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [1,1,0,0,0,0|1,0,0]=3 14077 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [1,1,0,0,0,0|2,0,0]=4 14078 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [1,1,0,0,0,0|2,0,0]=4 14079 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [1,1,0,0,0,0|2,0,0]=4 14080 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [1,1,0,0,0,0|1,0,0]=3 14081 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [1,1,0,0,0,0|1,0,0]=3 14082 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [1,1,0,0,0,0|1,0,0]=3 14083 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [1,1,0,0,0,0|1,0,0]=3 14084 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [1,1,0,0,0,0|1,0,0]=3 14085 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [1,1,0,0,0,0|1,0,0]=3 14086 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [1,1,0,0,0,0|1,0,0]=3 14087 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [1,1,0,0,0,0|1,0,0]=3 14088 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [1,1,0,0,0,0|1,0,0]=3 14089 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [1,1,0,0,0,0|2,0,0]=4 14090 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [1,1,0,0,0,0|2,0,0]=4 14091 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [1,1,0,0,0,0|1,0,0]=3 14092 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [1,1,0,0,0,0|1,0,0]=3 14093 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [1,1,0,0,0,0|2,0,0]=4 14094 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,1,0,0,0,0|1,0,1]=4 14095 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,1,0,0,0,0|1,0,1]=4 14096 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [1,1,0,0,0,0|1,0,0]=3 14097 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [1,1,0,0,0,0|1,0,0]=3 14098 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [1,1,0,0,0,0|1,0,0]=3 14099 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [1,1,0,0,0,0|1,0,0]=3 14100 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [1,1,0,0,0,0|1,0,0]=3 14101 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [1,1,0,0,0,0|1,0,0]=3 14102 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [1,1,0,0,0,0|1,0,0]=3 14103 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [1,1,0,0,0,0|1,0,0]=3 14104 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [1,1,0,0,0,0|1,0,0]=3 14105 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [1,1,0,0,0,0|1,0,0]=3 14106 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [1,1,0,0,0,0|2,0,0]=4 14107 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [1,1,0,0,0,0|2,0,0]=4 14108 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [1,1,0,0,0,0|1,0,0]=3 14109 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [1,1,0,0,0,0|1,0,0]=3 14110 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [1,1,0,0,0,0|1,0,0]=3 14111 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [1,1,0,0,0,0|1,0,0]=3 14112 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [1,1,0,0,0,0|1,0,0]=3 14113 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [1,1,0,0,0,0|1,0,0]=3 14114 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [1,1,0,0,0,0|2,0,0]=4 14115 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [1,1,0,0,0,0|2,0,0]=4 14116 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [1,1,0,0,0,0|2,0,0]=4 14117 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [1,1,0,0,0,0|1,0,0]=3 14118 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [1,1,0,0,0,0|2,0,0]=4 14119 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [1,1,0,0,0,0|2,0,0]=4 14120 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [1,1,0,0,0,0|2,0,0]=4 14121 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [1,1,0,0,0,0|2,0,0]=4 14122 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [1,1,0,0,0,0|2,0,0]=4 14123 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [1,1,0,0,0,0|2,0,0]=4 14124 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [1,1,0,0,0,0|2,0,0]=4 14125 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [1,1,0,0,0,0|2,0,0]=4 14126 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [1,1,0,0,0,0|2,0,0]=4 14127 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [1,1,0,0,0,0|2,0,0]=4 14128 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [1,1,0,0,0,0|2,0,0]=4 14129 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [1,1,0,0,0,0|2,0,0]=4 14130 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [1,1,0,0,0,0|2,0,0]=4 14131 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [1,1,0,0,0,0|2,0,0]=4 14132 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [1,1,0,0,0,0|2,0,0]=4 14133 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [1,1,0,0,0,0|2,0,0]=4 14134 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [1,1,0,0,0,0|2,0,0]=4 14135 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [1,1,0,0,0,0|2,0,0]=4 14136 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [1,1,0,0,0,0|2,0,0]=4 14137 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [1,1,0,0,0,0|2,0,0]=4 14138 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [1,1,0,0,0,0|2,0,0]=4 14139 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [1,1,0,0,0,0|2,0,0]=4 14140 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [1,1,0,0,0,0|2,0,0]=4 14141 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [1,1,0,0,0,0|2,0,0]=4 14142 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [1,1,0,0,0,0|2,0,0]=4 14143 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [1,1,0,0,0,0|2,0,0]=4 14144 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [1,1,0,0,0,0|2,0,0]=4 14145 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [1,1,0,0,0,0|2,0,0]=4 14146 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [1,1,0,0,0,0|2,0,0]=4 14147 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [1,1,0,0,0,0|2,0,0]=4 14148 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [1,1,0,0,0,0|2,0,0]=4 14149 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [1,1,0,0,0,0|2,0,0]=4 14150 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [1,1,0,0,0,0|2,0,0]=4 14151 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [1,1,0,0,0,0|2,0,0]=4 14152 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [1,1,0,0,0,0|2,0,0]=4 14153 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [1,1,0,0,0,0|2,0,0]=4 14154 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [1,1,0,0,0,0|2,0,0]=4 14155 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [1,1,0,0,0,0|2,0,0]=4 14156 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [1,1,0,0,0,0|2,0,0]=4 14157 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [1,1,0,0,0,0|2,0,0]=4 14158 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [1,1,0,0,0,0|2,0,0]=4 14159 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [1,1,0,0,0,0|2,0,0]=4 14160 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [1,1,0,0,0,0|2,0,0]=4 14161 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [1,1,0,0,0,0|2,0,0]=4 14162 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [1,1,0,0,0,0|2,0,0]=4 14163 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [1,1,0,0,0,0|2,0,0]=4 14164 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [1,1,0,0,0,0|2,0,0]=4 14165 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [1,1,0,0,0,0|2,0,0]=4 14166 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [1,1,0,0,0,0|2,0,0]=4 14167 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [1,1,0,0,0,0|2,0,0]=4 14168 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [1,1,0,0,0,0|2,0,0]=4 14169 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [1,1,0,0,0,0|2,0,0]=4 14170 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [1,1,0,0,0,0|2,0,0]=4 14171 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [1,1,0,0,0,0|2,0,0]=4 14172 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [1,1,0,0,0,0|2,0,0]=4 14173 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [1,1,0,0,0,0|2,0,0]=4 14174 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [1,1,0,0,0,0|2,0,0]=4 14175 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [1,1,0,0,0,0|2,0,0]=4 14176 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [1,1,0,0,0,0|2,0,0]=4 14177 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [1,1,0,0,0,0|2,0,0]=4 14178 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [1,1,0,0,0,0|2,0,0]=4 14179 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [1,1,0,0,0,0|2,0,0]=4 14180 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [1,1,0,0,0,0|2,0,0]=4 14181 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [1,1,0,0,0,0|2,0,0]=4 14182 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [1,1,0,0,0,0|2,0,0]=4 14183 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [1,1,0,0,0,0|2,0,0]=4 14184 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [1,1,0,0,0,0|2,0,0]=4 14185 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [1,1,0,0,0,0|2,0,0]=4 14186 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [1,1,0,0,0,0|2,0,0]=4 14187 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [1,1,0,0,0,0|2,0,0]=4 14188 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [1,1,0,0,0,0|2,0,0]=4 14189 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [1,1,0,0,0,0|2,0,0]=4 14190 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [1,1,0,0,0,0|2,0,0]=4 14191 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [1,1,0,0,0,0|2,0,0]=4 14192 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [1,1,0,0,0,0|2,0,0]=4 14193 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [1,1,0,0,0,0|2,0,0]=4 14194 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [1,1,0,0,0,0|2,0,0]=4 14195 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [1,1,0,0,0,0|2,0,0]=4 14196 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [1,1,0,0,0,0|2,0,0]=4 14197 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [1,1,0,0,0,0|2,0,0]=4 14198 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [1,1,0,0,0,0|2,0,0]=4 14199 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [1,1,0,0,0,0|2,0,0]=4 14200 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [1,1,0,0,0,0|2,0,0]=4 14201 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [1,1,0,0,0,0|2,0,0]=4 14202 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [1,1,0,0,0,0|2,0,0]=4 14203 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [1,1,0,0,0,0|2,0,0]=4 14204 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [1,1,0,0,0,0|2,0,0]=4 14205 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [1,1,0,0,0,0|2,0,0]=4 14206 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [1,1,0,0,0,0|2,0,0]=4 14207 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [1,1,0,0,0,0|2,0,0]=4 14208 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [1,1,0,0,0,0|2,0,0]=4 14209 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [1,1,0,0,0,0|2,0,0]=4 14210 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [1,1,0,0,0,0|2,0,0]=4 14211 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [1,1,0,0,0,0|2,0,0]=4 14212 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [1,1,0,0,0,0|2,0,0]=4 14213 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [1,1,0,0,0,0|2,0,0]=4 14214 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [1,1,0,0,0,0|2,0,0]=4 14215 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [1,1,0,0,0,0|2,0,0]=4 14216 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [1,1,0,0,0,0|2,0,0]=4 14217 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [1,1,0,0,0,0|2,0,0]=4 14218 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [1,1,0,0,0,0|2,0,0]=4 14219 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [1,1,0,0,0,0|2,0,0]=4 14220 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [1,1,0,0,0,0|2,0,0]=4 14221 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [1,1,0,0,0,0|2,0,0]=4 14222 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [1,1,0,0,0,0|1,0,0]=3 14223 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [1,1,0,0,0,0|1,0,0]=3 14224 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [1,1,0,0,0,0|2,0,0]=4 14225 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [1,1,0,0,0,0|2,0,0]=4 14226 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [1,1,0,0,0,0|2,0,0]=4 14227 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [1,1,0,0,0,0|1,0,0]=3 14228 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [1,1,0,0,0,0|2,0,0]=4 14229 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [1,1,0,0,0,0|2,0,0]=4 14230 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [1,1,0,0,0,0|2,0,0]=4 14231 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [1,1,0,0,0,0|2,0,0]=4 14232 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [1,1,0,0,0,0|2,0,0]=4 14233 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [1,1,0,0,0,0|2,0,0]=4 14234 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [1,1,0,0,0,0|2,0,0]=4 14235 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [1,1,0,0,0,0|2,0,0]=4 14236 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [1,1,0,0,0,0|2,0,0]=4 14237 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [1,1,0,0,0,0|2,0,0]=4 14238 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [1,1,0,0,0,0|2,0,0]=4 14239 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [1,1,0,0,0,0|2,0,0]=4 14240 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [1,1,0,0,0,0|2,0,0]=4 14241 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [1,1,0,0,0,0|2,0,0]=4 14242 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [1,1,0,0,0,0|2,0,0]=4 14243 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [1,1,0,0,0,0|2,0,0]=4 14244 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [1,1,0,0,0,0|2,0,0]=4 14245 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [1,1,0,0,0,0|2,0,0]=4 14246 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [1,1,0,0,0,0|2,0,0]=4 14247 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [1,1,0,0,0,0|2,0,0]=4 14248 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [1,1,0,0,0,0|2,0,0]=4 14249 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [1,1,0,0,0,0|2,0,0]=4 14250 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [1,1,0,0,0,0|2,0,0]=4 14251 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [1,1,0,0,0,0|2,0,0]=4 14252 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [1,1,0,0,0,0|2,0,0]=4 14253 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [1,1,0,0,0,0|2,0,0]=4 14254 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [1,1,0,0,0,0|2,0,0]=4 14255 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [1,1,0,0,0,0|2,0,0]=4 14256 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [1,1,0,0,0,0|2,0,0]=4 14257 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [1,1,0,0,0,0|2,0,0]=4 14258 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [1,1,0,0,0,0|2,0,0]=4 14259 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [1,1,0,0,0,0|2,0,0]=4 14260 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [1,1,0,0,0,0|2,0,0]=4 14261 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [1,1,0,0,0,0|2,0,0]=4 14262 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [1,1,0,0,0,0|2,0,0]=4 14263 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [1,1,0,0,0,0|2,0,0]=4 14264 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [1,1,0,0,0,0|2,0,0]=4 14265 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [1,1,0,0,0,0|2,0,0]=4 14266 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [1,1,0,0,0,0|2,0,0]=4 14267 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [1,1,0,0,0,0|2,0,0]=4 14268 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [1,1,0,0,0,0|2,0,0]=4 14269 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [1,1,0,0,0,0|2,0,0]=4 14270 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [1,1,0,0,0,0|2,0,0]=4 14271 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [1,1,0,0,0,0|2,0,0]=4 14272 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [1,1,0,0,0,0|2,0,0]=4 14273 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [1,1,0,0,0,0|2,0,0]=4 14274 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [1,1,0,0,0,0|2,0,0]=4 14275 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [1,1,0,0,0,0|2,0,0]=4 14276 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [1,1,0,0,0,0|2,0,0]=4 14277 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [1,1,0,0,0,0|2,0,0]=4 14278 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [1,1,0,0,0,0|2,0,0]=4 14279 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [1,1,0,0,0,0|2,0,0]=4 14280 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [1,1,0,0,0,0|2,0,0]=4 14281 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [1,1,0,0,0,0|2,0,0]=4 14282 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [1,1,0,0,0,0|2,0,0]=4 14283 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [1,1,0,0,0,0|2,0,0]=4 14284 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [1,1,0,0,0,0|2,0,0]=4 14285 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [1,1,0,0,0,0|2,0,0]=4 14286 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [1,1,0,0,0,0|2,0,0]=4 14287 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [1,1,0,0,0,0|2,0,0]=4 14288 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [1,1,0,0,0,0|2,0,0]=4 14289 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [1,1,0,0,0,0|2,0,0]=4 14290 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [1,1,0,0,0,0|2,0,0]=4 14291 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [1,1,0,0,0,0|1,0,0]=3 14292 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [1,1,0,0,0,0|1,0,0]=3 14293 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [1,1,0,0,0,0|2,0,0]=4 14294 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [1,1,0,0,0,0|2,0,0]=4 14295 B11R0.40 CC[C@H](C)CNCCSCCO 2230a_100011219999_100009816398 [1,1,0,0,0,0|2,0,0]=4 14296 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [1,1,0,0,0,0|2,0,0]=4 14297 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [1,1,0,0,0,0|2,0,0]=4 14298 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [1,1,0,0,0,0|2,0,0]=4 14299 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [1,1,0,0,0,0|2,0,0]=4 14300 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [1,1,0,0,0,0|2,0,0]=4 14301 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [1,1,0,0,0,0|2,0,0]=4 14302 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [1,1,0,0,0,0|2,0,0]=4 14303 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [1,1,0,0,0,0|2,0,0]=4 14304 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [1,1,0,0,0,0|1,0,0]=3 14305 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [1,1,0,0,0,0|2,0,0]=4 14306 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [1,1,0,0,0,0|2,0,0]=4 14307 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [1,1,0,0,0,0|2,0,0]=4 14308 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [1,1,0,0,0,0|2,0,0]=4 14309 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [1,1,0,0,0,0|2,0,0]=4 14310 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [1,1,0,0,0,0|2,0,0]=4 14311 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [1,1,0,0,0,0|2,0,0]=4 14312 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [1,1,0,0,0,0|1,0,0]=3 14313 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [1,1,0,0,0,0|1,0,0]=3 14314 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [1,1,0,0,0,0|2,0,0]=4 14315 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [1,1,0,0,0,0|2,0,0]=4 14316 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [1,1,0,0,0,0|2,0,0]=4 14317 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [1,1,0,0,0,0|2,0,0]=4 14318 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,1,0,0,0,0|1,0,1]=4 14319 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [1,1,0,0,0,0|2,0,0]=4 14320 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [1,1,0,0,0,0|2,0,0]=4 14321 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [1,1,0,0,0,0|2,0,0]=4 14322 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [1,1,0,0,0,0|2,0,0]=4 14323 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [1,1,0,0,0,0|2,0,0]=4 14324 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,1]=4 14325 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [1,1,0,0,0,0|2,0,0]=4 14326 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [1,1,0,0,0,0|2,0,0]=4 14327 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [1,1,0,0,0,0|2,0,0]=4 14328 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [1,1,0,0,0,0|2,0,0]=4 14329 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [1,1,0,0,0,0|2,0,0]=4 14330 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [1,1,0,0,0,0|2,0,0]=4 14331 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [1,1,0,0,0,0|2,0,0]=4 14332 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [1,1,0,0,0,0|2,0,0]=4 14333 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [1,1,0,0,0,0|2,0,0]=4 14334 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [1,1,0,0,0,0|2,0,0]=4 14335 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [1,1,0,0,0,0|2,0,0]=4 14336 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [1,1,0,0,0,0|2,0,0]=4 14337 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [1,1,0,0,0,0|2,0,0]=4 14338 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [1,1,0,0,0,0|2,0,0]=4 14339 B11R0.40 COCCCNCCC(C)CO 2230a_106354213184_100000740836 [1,1,0,0,0,0|2,0,0]=4 14340 B11R0.40 COCCCNCCC(C)CO 34a_106354213184_100000740836 [1,1,0,0,0,0|2,0,0]=4 14341 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [1,1,0,0,0,0|2,0,0]=4 14342 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [1,1,0,0,0,0|2,0,0]=4 14343 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [1,1,0,0,0,0|2,0,0]=4 14344 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [1,1,0,0,0,0|2,0,0]=4 14345 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [1,1,0,0,0,0|2,0,0]=4 14346 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [1,1,0,0,0,0|2,0,0]=4 14347 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [1,1,0,0,0,0|2,0,0]=4 14348 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [1,1,0,0,0,0|2,0,0]=4 14349 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [1,1,0,0,0,0|2,0,0]=4 14350 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [1,1,0,0,0,0|2,0,0]=4 14351 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [1,1,0,0,0,0|2,0,0]=4 14352 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [1,1,0,0,0,0|2,0,0]=4 14353 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [1,1,0,0,0,0|2,0,0]=4 14354 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [1,1,0,0,0,0|2,0,0]=4 14355 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [1,1,0,0,0,0|2,0,0]=4 14356 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [1,1,0,0,0,0|2,0,0]=4 14357 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [1,1,0,0,0,0|2,0,0]=4 14358 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [1,1,0,0,0,0|2,0,0]=4 14359 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [1,1,0,0,0,0|2,0,0]=4 14360 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [1,1,0,0,0,0|2,0,0]=4 14361 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [1,1,0,0,0,0|2,0,0]=4 14362 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [1,1,0,0,0,0|2,0,0]=4 14363 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [1,1,0,0,0,0|2,0,0]=4 14364 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [1,1,0,0,0,0|2,0,0]=4 14365 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [1,1,0,0,0,0|2,0,0]=4 14366 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [1,1,0,0,0,0|2,0,0]=4 14367 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [1,1,0,0,0,0|2,0,0]=4 14368 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [1,1,0,0,0,0|2,0,0]=4 14369 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [1,1,0,0,0,0|2,0,0]=4 14370 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [1,1,0,0,0,0|2,0,0]=4 14371 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|1,0,1]=4 14372 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,1]=4 14373 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [1,1,0,0,0,0|2,0,0]=4 14374 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [1,1,0,0,0,0|2,0,0]=4 14375 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [1,1,0,0,0,0|2,0,0]=4 14376 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [1,1,0,0,0,0|2,0,0]=4 14377 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [1,1,0,0,0,0|2,0,0]=4 14378 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [1,1,0,0,0,0|2,0,0]=4 14379 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [1,1,0,0,0,0|2,0,0]=4 14380 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [1,1,0,0,0,0|2,0,0]=4 14381 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [1,1,0,0,0,0|2,0,0]=4 14382 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [1,1,0,0,0,0|2,0,0]=4 14383 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [1,1,0,0,0,0|2,0,0]=4 14384 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [1,1,0,0,0,0|2,0,0]=4 14385 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [1,1,0,0,0,0|2,0,0]=4 14386 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [1,1,0,0,0,0|2,0,0]=4 14387 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [1,1,0,0,0,0|2,0,0]=4 14388 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [1,1,0,0,0,0|2,0,0]=4 14389 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [1,1,0,0,0,0|2,0,0]=4 14390 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [1,1,0,0,0,0|2,0,0]=4 14391 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [1,1,0,0,0,0|2,0,0]=4 14392 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [1,1,0,0,0,0|2,0,0]=4 14393 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [1,1,0,0,0,0|2,0,0]=4 14394 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [1,1,0,0,0,0|2,0,0]=4 14395 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [1,1,0,0,0,0|2,0,0]=4 14396 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [1,1,0,0,0,0|2,0,0]=4 14397 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [1,1,0,0,0,0|2,0,0]=4 14398 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [1,1,0,0,0,0|2,0,0]=4 14399 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [1,1,0,0,0,0|2,0,0]=4 14400 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [1,1,0,0,0,0|2,0,0]=4 14401 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [1,1,0,0,0,0|2,0,0]=4 14402 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [1,1,0,0,0,0|2,0,0]=4 14403 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [1,1,0,0,0,0|2,0,0]=4 14404 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [1,1,0,0,0,0|2,0,0]=4 14405 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [1,1,0,0,0,0|2,0,0]=4 14406 B11R0.81 CC(CCCCl)OCCCCO 34a_200000718107_100011216708 [1,1,0,0,0,0|2,0,0]=4 14407 B11R0.81 CC(CCCCl)OCCCCO 7a_200000718107_100000210776 [1,1,0,0,0,0|2,0,0]=4 14408 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [1,1,0,0,0,0|1,0,1]=4 14409 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,1,0,0,0,0|0,0,1]=3 14410 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,1,0,0,0,0|0,0,1]=3 14411 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,1,0,0,0,0|1,0,1]=4 14412 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,1,0,0,0,0|1,0,1]=4 14413 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [1,1,0,0,0,0|1,0,1]=4 14414 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [1,1,0,0,0,0|1,0,1]=4 14415 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [1,1,0,0,0,0|1,0,1]=4 14416 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [1,1,0,0,0,0|1,0,1]=4 14417 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [1,1,0,0,0,0|1,0,1]=4 14418 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|1,0,0]=3 14419 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|1,0,0]=3 14420 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|1,0,0]=3 14421 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|1,0,0]=3 14422 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [1,1,0,0,0,0|2,0,0]=4 14423 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [1,1,0,0,0,0|2,0,0]=4 14424 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [1,1,0,0,0,0|1,0,0]=3 14425 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [1,1,0,0,0,0|1,0,0]=3 14426 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [1,1,0,0,0,0|2,0,0]=4 14427 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [1,1,0,0,0,0|2,0,0]=4 14428 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [1,1,0,0,0,0|2,0,0]=4 14429 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [1,1,0,0,0,0|2,0,0]=4 14430 B11R0.81 CCCCC(C)NCCCCF 2230a_100000126638_100000729493 [1,1,0,0,0,0|2,0,0]=4 14431 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [1,1,0,0,0,0|1,0,0]=3 14432 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [1,1,0,0,0,0|1,0,0]=3 14433 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [1,1,0,0,0,0|1,0,0]=3 14434 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [1,1,0,0,0,0|1,0,0]=3 14435 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [1,1,0,0,0,0|2,0,0]=4 14436 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [1,1,0,0,0,0|2,0,0]=4 14437 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [1,1,0,0,0,0|2,0,0]=4 14438 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [1,1,0,0,0,0|2,0,0]=4 14439 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [1,1,0,0,0,0|2,0,0]=4 14440 B11R0.81 CCCCC(C)NCCOCC 2230a_100000126638_100011215890 [1,1,0,0,0,0|2,0,0]=4 14441 B11R0.81 CCCCC(C)NCCOCC 2230a_102516460346_200011215066 [1,1,0,0,0,0|2,0,0]=4 14442 B11R0.81 CCCCC(C)NCCOCC 270004a_102516460346_100000210087 [1,1,0,0,0,0|2,0,0]=4 14443 B11R0.81 CCCCC(C)NCCOCC 34a_102516460346_200011215066 [1,1,0,0,0,0|2,0,0]=4 14444 B11R0.81 CCCCC(C)NCCSCC 2230a_100000106463_200011215066 [1,1,0,0,0,0|2,0,0]=4 14445 B11R0.81 CCCCC(C)NCCSCC 2230a_100000126638_100000757381 [1,1,0,0,0,0|2,0,0]=4 14446 B11R0.81 CCCCC(C)NCCSCC 270004a_100000106463_100000210087 [1,1,0,0,0,0|2,0,0]=4 14447 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [1,1,0,0,0,0|2,0,0]=4 14448 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [1,1,0,0,0,0|2,0,0]=4 14449 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [1,1,0,0,0,0|2,0,0]=4 14450 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [1,1,0,0,0,0|2,0,0]=4 14451 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [1,1,0,0,0,0|2,0,0]=4 14452 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [1,1,0,0,0,0|2,0,0]=4 14453 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [1,1,0,0,0,0|2,0,0]=4 14454 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [1,1,0,0,0,0|2,0,0]=4 14455 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [1,1,0,0,0,0|2,0,0]=4 14456 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [1,1,0,0,0,0|1,0,0]=3 14457 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [1,1,0,0,0,0|1,0,0]=3 14458 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [1,1,0,0,0,0|2,0,0]=4 14459 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [1,1,0,0,0,0|2,0,0]=4 14460 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [1,1,0,0,0,0|2,0,0]=4 14461 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [1,1,0,0,0,0|2,0,0]=4 14462 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [1,1,0,0,0,0|2,0,0]=4 14463 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [1,1,0,0,0,0|2,0,0]=4 14464 B11R0.81 CCCCC(C)OCCOCC 34a_100000210136_200011215066 [1,1,0,0,0,0|2,0,0]=4 14465 B11R0.81 CCCCC(C)OCCOCC 34a_100000687866_100000210147 [1,1,0,0,0,0|2,0,0]=4 14466 B11R0.81 CCCCC(C)OCCOCC 7a_100000210136_200011215066 [1,1,0,0,0,0|2,0,0]=4 14467 B11R0.81 CCCCC(C)OCCOCC 7a_100000687866_100011215890 [1,1,0,0,0,0|2,0,0]=4 14468 B11R0.81 CCCCC(C)OCCSCC 34a_100000212035_200011215066 [1,1,0,0,0,0|2,0,0]=4 14469 B11R0.81 CCCCC(C)OCCSCC 34a_100000687866_100000757381 [1,1,0,0,0,0|2,0,0]=4 14470 B11R0.81 CCCCC(C)OCCSCC 7a_100000212035_200011215066 [1,1,0,0,0,0|2,0,0]=4 14471 B11R0.81 CCCCC(C)OCCSCC 7a_100000687866_100000757381 [1,1,0,0,0,0|2,0,0]=4 14472 B11R0.81 CCCCC(C)SCCCCF 62a_100000729493_200011215066 [1,1,0,0,0,0|2,0,0]=4 14473 B11R0.81 CCCCC(C)SCCCCF 62a_200011215066_100000729493 [1,1,0,0,0,0|2,0,0]=4 14474 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [1,1,0,0,0,0|1,0,0]=3 14475 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [1,1,0,0,0,0|1,0,0]=3 14476 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [1,1,0,0,0,0|2,0,0]=4 14477 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [1,1,0,0,0,0|2,0,0]=4 14478 B11R0.81 CCCCC(C)SCCOCC 62a_100000210147_200011215066 [1,1,0,0,0,0|2,0,0]=4 14479 B11R0.81 CCCCC(C)SCCOCC 62a_200011215066_100011215890 [1,1,0,0,0,0|2,0,0]=4 14480 B11R0.81 CCCCC(C)SCCSCC 62a_100000757381_200011215066 [1,1,0,0,0,0|2,0,0]=4 14481 B11R0.81 CCCCC(C)SCCSCC 62a_200011215066_100000757381 [1,1,0,0,0,0|2,0,0]=4 14482 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|0,0,1]=3 14483 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|0,0,1]=3 14484 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [1,1,0,0,0,0|1,0,1]=4 14485 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|0,0,1]=3 14486 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|1,0,1]=4 14487 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|1,0,1]=4 14488 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,1,0,0,0,0|1,0,1]=4 14489 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,1,0,0,0,0|1,0,1]=4 14490 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,1,0,0,0,0|1,0,1]=4 14491 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [1,1,0,0,0,0|1,0,1]=4 14492 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 14493 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 14494 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 14495 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 14496 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [1,1,0,0,0,0|1,0,1]=4 14497 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [1,1,0,0,0,0|1,0,1]=4 14498 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|1,0,0]=3 14499 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|1,0,0]=3 14500 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|1,0,0]=3 14501 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|1,0,0]=3 14502 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [1,1,0,0,0,0|1,0,0]=3 14503 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [1,1,0,0,0,0|1,0,0]=3 14504 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [1,1,0,0,0,0|1,0,0]=3 14505 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [1,1,0,0,0,0|2,0,0]=4 14506 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [1,1,0,0,0,0|2,0,0]=4 14507 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [1,1,0,0,0,0|2,0,0]=4 14508 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [1,1,0,0,0,0|1,0,0]=3 14509 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [1,1,0,0,0,0|1,0,0]=3 14510 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [1,1,0,0,0,0|1,0,0]=3 14511 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [1,1,0,0,0,0|1,0,0]=3 14512 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [1,1,0,0,0,0|1,0,0]=3 14513 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [1,1,0,0,0,0|2,0,0]=4 14514 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [1,1,0,0,0,0|2,0,0]=4 14515 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [1,1,0,0,0,0|2,0,0]=4 14516 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [1,1,0,0,0,0|2,0,0]=4 14517 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [1,1,0,0,0,0|1,0,0]=3 14518 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [1,1,0,0,0,0|1,0,0]=3 14519 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [1,1,0,0,0,0|1,0,0]=3 14520 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [1,1,0,0,0,0|2,0,0]=4 14521 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [1,1,0,0,0,0|2,0,0]=4 14522 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [1,1,0,0,0,0|2,0,0]=4 14523 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,1,0,0,0,0|1,0,0]=3 14524 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,1,0,0,0,0|1,0,0]=3 14525 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [1,1,0,0,0,0|2,0,0]=4 14526 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [1,1,0,0,0,0|1,0,0]=3 14527 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [1,1,0,0,0,0|1,0,0]=3 14528 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [1,1,0,0,0,0|2,0,0]=4 14529 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [1,1,0,0,0,0|2,0,0]=4 14530 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [1,1,0,0,0,0|1,0,0]=3 14531 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [1,1,0,0,0,0|1,0,0]=3 14532 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [1,1,0,0,0,0|2,0,0]=4 14533 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [1,1,0,0,0,0|2,0,0]=4 14534 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [1,1,0,0,0,0|2,0,0]=4 14535 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [1,1,0,0,0,0|2,0,0]=4 14536 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [1,1,0,0,0,0|1,0,0]=3 14537 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [1,1,0,0,0,0|1,0,0]=3 14538 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [1,1,0,0,0,0|1,0,0]=3 14539 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [1,1,0,0,0,0|1,0,0]=3 14540 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [1,1,0,0,0,0|1,0,0]=3 14541 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [1,1,0,0,0,0|1,0,0]=3 14542 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [1,1,0,0,0,0|2,0,0]=4 14543 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [1,1,0,0,0,0|2,0,0]=4 14544 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [1,1,0,0,0,0|1,0,0]=3 14545 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [1,1,0,0,0,0|1,0,0]=3 14546 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [1,1,0,0,0,0|1,0,0]=3 14547 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [1,1,0,0,0,0|1,0,0]=3 14548 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [1,1,0,0,0,0|2,0,0]=4 14549 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [1,1,0,0,0,0|2,0,0]=4 14550 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [1,1,0,0,0,0|2,0,0]=4 14551 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [1,1,0,0,0,0|2,0,0]=4 14552 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [1,1,0,0,0,0|2,0,0]=4 14553 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [1,1,0,0,0,0|2,0,0]=4 14554 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [1,1,0,0,0,0|2,0,0]=4 14555 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [1,1,0,0,0,0|2,0,0]=4 14556 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [1,1,0,0,0,0|2,0,0]=4 14557 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [1,1,0,0,0,0|1,0,0]=3 14558 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [1,1,0,0,0,0|1,0,0]=3 14559 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 14560 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 14561 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 14562 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 14563 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [1,1,0,0,0,0|1,0,0]=3 14564 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [1,1,0,0,0,0|1,0,0]=3 14565 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [1,1,0,0,0,0|1,0,0]=3 14566 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [1,1,0,0,0,0|2,0,0]=4 14567 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [1,1,0,0,0,0|2,0,0]=4 14568 B11R0.81 CCCCCNC(C)CSCC 270004a_100000209983_200011216171 [1,1,0,0,0,0|2,0,0]=4 14569 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [1,1,0,0,0,0|1,0,0]=3 14570 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [1,1,0,0,0,0|1,0,0]=3 14571 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [1,1,0,0,0,0|1,0,0]=3 14572 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [1,1,0,0,0,0|1,0,0]=3 14573 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [1,1,0,0,0,0|2,0,0]=4 14574 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [1,1,0,0,0,0|2,0,0]=4 14575 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [1,1,0,0,0,0|2,0,0]=4 14576 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [1,1,0,0,0,0|2,0,0]=4 14577 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [1,1,0,0,0,0|1,0,0]=3 14578 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [1,1,0,0,0,0|1,0,0]=3 14579 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [1,1,0,0,0,0|2,0,0]=4 14580 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [1,1,0,0,0,0|2,0,0]=4 14581 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [1,1,0,0,0,0|1,0,0]=3 14582 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [1,1,0,0,0,0|1,0,0]=3 14583 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [1,1,0,0,0,0|1,0,0]=3 14584 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [1,1,0,0,0,0|1,0,0]=3 14585 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [1,1,0,0,0,0|2,0,0]=4 14586 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [1,1,0,0,0,0|2,0,0]=4 14587 B11R0.81 CCCCN(C)CCCOCC 2230a_100000207549_100012232248 [1,1,0,0,0,0|2,0,0]=4 14588 B11R0.81 CCCCN(C)CCCOCC 269982a_100000207549_100012232248 [1,1,0,0,0,0|2,0,0]=4 14589 B11R0.81 CCCCN(C)CCOCCC 2230a_100000207549_100011215938 [1,1,0,0,0,0|2,0,0]=4 14590 B11R0.81 CCCCN(C)CCOCCC 269982a_100000207549_100011215938 [1,1,0,0,0,0|2,0,0]=4 14591 B11R0.81 CCCCN(C)CCOCCO 2230a_100000207549_100011215305 [1,1,0,0,0,0|2,0,0]=4 14592 B11R0.81 CCCCN(C)CCOCCO 2230a_100000228057_100000210211 [1,1,0,0,0,0|2,0,0]=4 14593 B11R0.81 CCCCN(C)CCOCCO 269982a_100000207549_100011215305 [1,1,0,0,0,0|2,0,0]=4 14594 B11R0.81 CCCCN(C)CCOCCO 269982a_100000228057_100000210211 [1,1,0,0,0,0|2,0,0]=4 14595 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [1,1,0,0,0,0|2,0,0]=4 14596 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [1,1,0,0,0,0|2,0,0]=4 14597 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [1,1,0,0,0,0|2,0,0]=4 14598 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [1,1,0,0,0,0|2,0,0]=4 14599 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [1,1,0,0,0,0|1,0,0]=3 14600 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [1,1,0,0,0,0|1,0,0]=3 14601 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [1,1,0,0,0,0|1,0,1]=4 14602 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [1,1,0,0,0,0|1,0,1]=4 14603 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [1,1,0,0,0,0|1,0,1]=4 14604 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [1,1,0,0,0,0|1,0,0]=3 14605 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [1,1,0,0,0,0|1,0,0]=3 14606 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [1,1,0,0,0,0|2,0,0]=4 14607 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [1,1,0,0,0,0|2,0,0]=4 14608 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [1,1,0,0,0,0|2,0,0]=4 14609 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [1,1,0,0,0,0|2,0,0]=4 14610 B11R0.81 CCCCOCN(C)CCCC 2230a_100000207549_100011995733 [1,1,0,0,0,0|2,0,0]=4 14611 B11R0.81 CCCCOCN(C)CCCC 269982a_100000207549_100011995733 [1,1,0,0,0,0|2,0,0]=4 14612 B11R0.81 CCCCOCN(C)CCCO 2230a_100000213112_100011995733 [1,1,0,0,0,0|2,0,0]=4 14613 B11R0.81 CCCCOCN(C)CCCO 269982a_100000213112_100011995733 [1,1,0,0,0,0|2,0,0]=4 14614 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [1,1,0,0,0,0|1,0,0]=3 14615 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [1,1,0,0,0,0|2,0,0]=4 14616 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [1,1,0,0,0,0|1,0,1]=4 14617 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [1,1,0,0,0,0|1,0,1]=4 14618 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [1,1,0,0,0,0|2,0,0]=4 14619 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [1,1,0,0,0,0|1,0,0]=3 14620 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [1,1,0,0,0,0|2,0,0]=4 14621 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [1,1,0,0,0,0|2,0,0]=4 14622 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [1,1,0,0,0,0|1,0,1]=4 14623 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [1,1,0,0,0,0|2,0,0]=4 14624 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [1,1,0,0,0,0|2,0,0]=4 14625 B11R0.81 CCCOCCN(C)CCCO 2230a_100000213112_100011215938 [1,1,0,0,0,0|2,0,0]=4 14626 B11R0.81 CCCOCCN(C)CCCO 269982a_100000213112_100011215938 [1,1,0,0,0,0|2,0,0]=4 14627 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [1,1,0,0,0,0|1,0,1]=4 14628 B11R0.81 CCOCC(C)OCCCCO 34a_100000718985_100011216708 [1,1,0,0,0,0|2,0,0]=4 14629 B11R0.81 CCOCC(C)OCCCCO 7a_100000718985_100000210776 [1,1,0,0,0,0|2,0,0]=4 14630 B11R0.81 CCOCC(O)CNCCCO 2230a_102515437182_100000230001 [1,1,0,0,0,0|2,0,0]=4 14631 B11R0.81 CCOCC(O)CNCCCO 34a_102515437182_100000230001 [1,1,0,0,0,0|2,0,0]=4 14632 B11R0.81 CCOCCCN(C)CCCO 2230a_100000213112_100012232248 [1,1,0,0,0,0|2,0,0]=4 14633 B11R0.81 CCOCCCN(C)CCCO 269982a_100000213112_100012232248 [1,1,0,0,0,0|2,0,0]=4 14634 B11R0.81 CCOCN(C)CCCCCO 269982a_100000722520_100000739092 [1,1,0,0,0,0|2,0,0]=4 14635 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [1,1,0,0,0,0|1,0,1]=4 14636 B11R0.81 CCSCC(C)NCCCCO 270004a_100000750430_200011216171 [1,1,0,0,0,0|2,0,0]=4 14637 B11R0.81 CN(CCCF)CCCCCO 2230a_100000722520_100011934791 [1,1,0,0,0,0|2,0,0]=4 14638 B11R0.81 CN(CCCF)CCCCCO 269982a_100000722520_100011934791 [1,1,0,0,0,0|2,0,0]=4 14639 B11R0.81 CN(CCCO)CCCCCF 2230a_100000213112_100000729378 [1,1,0,0,0,0|2,0,0]=4 14640 B11R0.81 CN(CCCO)CCCCCF 269982a_100000213112_100000729378 [1,1,0,0,0,0|2,0,0]=4 14641 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [1,1,0,0,0,0|2,0,0]=4 14642 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [1,1,0,0,0,0|2,0,0]=4 14643 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [1,1,0,0,0,0|2,0,0]=4 14644 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [1,1,0,0,0,0|2,0,0]=4 14645 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [1,1,0,0,0,0|1,0,1]=4 14646 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [1,1,0,0,0,0|1,0,1]=4 14647 B11R0.81 COCCC(C)NCCCCO 270004a_100000750430_100000742357 [1,1,0,0,0,0|2,0,0]=4 14648 B11R0.81 COCCCCN(C)CCCO 2230a_100000213112_100000730899 [1,1,0,0,0,0|2,0,0]=4 14649 B11R0.81 COCCCCN(C)CCCO 269982a_100000213112_100000730899 [1,1,0,0,0,0|2,0,0]=4 14650 B11R0.81 COCCN(C)CCCCCO 2230a_100000722520_100011201679 [1,1,0,0,0,0|2,0,0]=4 14651 B11R0.81 COCCN(C)CCCCCO 2230a_100000743101_100000746330 [1,1,0,0,0,0|2,0,0]=4 14652 B11R0.81 COCCN(C)CCCCCO 269982a_100000722520_100000233755 [1,1,0,0,0,0|2,0,0]=4 14653 B11R0.81 COCCN(C)CCCCCO 269982a_100000743101_100000746330 [1,1,0,0,0,0|2,0,0]=4 14654 B11R0.81 COCCNC[C@H](C)CCCO 2230a_100160569302_100011201679 [1,1,0,0,0,0|2,0,0]=4 14655 B11R0.81 COCCNC[C@H](C)CCCO 34a_100160569302_100011201679 [1,1,0,0,0,0|2,0,0]=4 14656 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [1,1,0,0,0,0|1,0,1]=4 14657 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [1,1,0,0,0,0|1,0,1]=4 14658 B11R0.81 CSCCC(C)NCCCCO 270004a_100000750430_100011217047 [1,1,0,0,0,0|2,0,0]=4 14659 B11R0.81 CSCCN(C)CCCCCO 2230a_100000686725_100000746330 [1,1,0,0,0,0|2,0,0]=4 14660 B11R0.81 CSCCN(C)CCCCCO 2230a_100000722520_100000751147 [1,1,0,0,0,0|2,0,0]=4 14661 B11R0.81 CSCCN(C)CCCCCO 269982a_100000686725_100000746330 [1,1,0,0,0,0|2,0,0]=4 14662 B11R0.81 CSCCN(C)CCCCCO 269982a_100000722520_100000212216 [1,1,0,0,0,0|2,0,0]=4 14663 B11R0.81 CSCCNC[C@H](C)CCCO 2230a_100160569302_100000751147 [1,1,0,0,0,0|2,0,0]=4 14664 B11R0.81 CSCCNC[C@H](C)CCCO 34a_100160569302_100000212216 [1,1,0,0,0,0|2,0,0]=4 14665 B11R0.81 CSCC[C@H](N)COCCCO 34a_100011827619_100000230001 [1,1,0,0,0,0|2,0,0]=4 14666 B11R0.81 C[C@H](CCCO)CNCCCF 2230a_100160569302_100011934791 [1,1,0,0,0,0|2,0,0]=4 14667 B11R0.81 C[C@H](CCCO)CNCCCF 34a_100160569302_100011934791 [1,1,0,0,0,0|2,0,0]=4 14668 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [1,1,0,0,0,0|2,0,0]=4 14669 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [1,1,0,0,0,0|2,0,0]=4 14670 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [1,1,0,0,0,0|1,0,1]=4 14671 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [1,1,0,0,0,0|1,0,1]=4 14672 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [1,1,0,0,0,0|0,0,1]=3 14673 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [1,1,0,0,0,0|1,0,1]=4 14674 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,1,0,0,0,0|0,0,1]=3 14675 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,1,0,0,0,0|0,0,1]=3 14676 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [1,1,0,0,0,0|1,0,1]=4 14677 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [1,1,0,0,0,0|1,0,1]=4 14678 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [1,1,0,0,0,0|1,0,1]=4 14679 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,1,0,0,0,0|1,0,1]=4 14680 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,1,0,0,0,0|1,0,1]=4 14681 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [1,1,0,0,0,0|1,0,1]=4 14682 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [1,1,0,0,0,0|1,0,1]=4 14683 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [1,1,0,0,0,0|1,0,1]=4 14684 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [1,1,0,0,0,0|1,0,1]=4 14685 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [1,1,0,0,0,0|1,0,1]=4 14686 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [1,1,0,0,0,0|1,0,1]=4 14687 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [1,1,0,0,0,0|1,0,1]=4 14688 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [1,1,0,0,0,0|1,0,1]=4 14689 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [1,1,0,0,0,0|1,0,1]=4 14690 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [1,1,0,0,0,0|1,0,1]=4 14691 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [1,1,0,0,0,0|1,0,1]=4 14692 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [1,1,0,0,0,0|1,0,1]=4 14693 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 14694 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 14695 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 14696 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 14697 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [1,1,0,0,0,0|1,0,1]=4 14698 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [1,1,0,0,0,0|1,0,1]=4 14699 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [1,1,0,0,0,0|1,0,0]=3 14700 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [1,1,0,0,0,0|1,0,0]=3 14701 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [1,1,0,0,0,0|1,0,0]=3 14702 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [1,1,0,0,0,0|1,0,0]=3 14703 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [1,1,0,0,0,0|2,0,0]=4 14704 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [1,1,0,0,0,0|2,0,0]=4 14705 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [1,1,0,0,0,0|2,0,0]=4 14706 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [1,1,0,0,0,0|2,0,0]=4 14707 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [1,1,0,0,0,0|1,0,0]=3 14708 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [1,1,0,0,0,0|1,0,0]=3 14709 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [1,1,0,0,0,0|2,0,0]=4 14710 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [1,1,0,0,0,0|2,0,0]=4 14711 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [1,1,0,0,0,0|2,0,0]=4 14712 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [1,1,0,0,0,0|2,0,0]=4 14713 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [1,1,0,0,0,0|2,0,0]=4 14714 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [1,1,0,0,0,0|2,0,0]=4 14715 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [1,1,0,0,0,0|2,0,0]=4 14716 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [1,1,0,0,0,0|1,0,0]=3 14717 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [1,1,0,0,0,0|1,0,0]=3 14718 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [1,1,0,0,0,0|1,0,0]=3 14719 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [1,1,0,0,0,0|1,0,0]=3 14720 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [1,1,0,0,0,0|2,0,0]=4 14721 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [1,1,0,0,0,0|2,0,0]=4 14722 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [1,1,0,0,0,0|2,0,0]=4 14723 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [1,1,0,0,0,0|2,0,0]=4 14724 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [1,1,0,0,0,0|2,0,0]=4 14725 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [1,1,0,0,0,0|1,0,0]=3 14726 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [1,1,0,0,0,0|1,0,0]=3 14727 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [1,1,0,0,0,0|2,0,0]=4 14728 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [1,1,0,0,0,0|2,0,0]=4 14729 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [1,1,0,0,0,0|2,0,0]=4 14730 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [1,1,0,0,0,0|2,0,0]=4 14731 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [1,1,0,0,0,0|2,0,0]=4 14732 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [1,1,0,0,0,0|2,0,0]=4 14733 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [1,1,0,0,0,0|2,0,0]=4 14734 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [1,1,0,0,0,0|1,0,0]=3 14735 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [1,1,0,0,0,0|1,0,0]=3 14736 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [1,1,0,0,0,0|2,0,0]=4 14737 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [1,1,0,0,0,0|2,0,0]=4 14738 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [1,1,0,0,0,0|1,0,0]=3 14739 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [1,1,0,0,0,0|1,0,0]=3 14740 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [1,1,0,0,0,0|2,0,0]=4 14741 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [1,1,0,0,0,0|2,0,0]=4 14742 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [1,1,0,0,0,0|2,0,0]=4 14743 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [1,1,0,0,0,0|2,0,0]=4 14744 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [1,1,0,0,0,0|2,0,0]=4 14745 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [1,1,0,0,0,0|2,0,0]=4 14746 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [1,1,0,0,0,0|1,0,0]=3 14747 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [1,1,0,0,0,0|1,0,0]=3 14748 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [1,1,0,0,0,0|1,0,0]=3 14749 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [1,1,0,0,0,0|1,0,0]=3 14750 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [1,1,0,0,0,0|2,0,0]=4 14751 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [1,1,0,0,0,0|2,0,0]=4 14752 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [1,1,0,0,0,0|1,0,0]=3 14753 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [1,1,0,0,0,0|1,0,0]=3 14754 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [1,1,0,0,0,0|1,0,0]=3 14755 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [1,1,0,0,0,0|1,0,0]=3 14756 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [1,1,0,0,0,0|2,0,0]=4 14757 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [1,1,0,0,0,0|2,0,0]=4 14758 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [1,1,0,0,0,0|2,0,0]=4 14759 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [1,1,0,0,0,0|2,0,0]=4 14760 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [1,1,0,0,0,0|2,0,0]=4 14761 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [1,1,0,0,0,0|2,0,0]=4 14762 B11R0.140 CCCCCN(C)CCSCC 2230a_100000223495_100000757381 [1,1,0,0,0,0|2,0,0]=4 14763 B11R0.140 CCCCCN(C)CCSCC 269982a_100000223495_100000757381 [1,1,0,0,0,0|2,0,0]=4 14764 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [1,1,0,0,0,0|1,0,0]=3 14765 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [1,1,0,0,0,0|1,0,0]=3 14766 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [1,1,0,0,0,0|1,0,1]=4 14767 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [1,1,0,0,0,0|2,0,0]=4 14768 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [1,1,0,0,0,0|2,0,0]=4 14769 B11R0.140 CCCCNC(C)CSCCC 270004a_100000102301_100011343953 [1,1,0,0,0,0|2,0,0]=4 14770 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [1,1,0,0,0,0|2,0,0]=4 14771 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [1,1,0,0,0,0|2,0,0]=4 14772 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [1,1,0,0,0,0|1,0,1]=4 14773 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [1,1,0,0,0,0|2,0,0]=4 14774 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [1,1,0,0,0,0|1,0,1]=4 14775 B11R0.140 CCCSCC(C)NCCCO 270004a_100000182051_100011343953 [1,1,0,0,0,0|2,0,0]=4 14776 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [1,1,0,0,0,0|1,0,1]=4 14777 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [1,1,0,0,0,0|1,0,1]=4 14778 B11R0.140 CCOCCC(C)NCCCO 270004a_100000182051_200011216536 [1,1,0,0,0,0|2,0,0]=4 14779 B11R0.140 CCOCCN(C)CCCCO 2230a_100000717598_100011215890 [1,1,0,0,0,0|2,0,0]=4 14780 B11R0.140 CCOCCN(C)CCCCO 269982a_100000717598_100011215890 [1,1,0,0,0,0|2,0,0]=4 14781 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [1,1,0,0,0,0|1,0,1]=4 14782 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [1,1,0,0,0,0|1,0,1]=4 14783 B11R0.140 CCSCCN(C)CCCCO 2230a_100000717598_100000757381 [1,1,0,0,0,0|2,0,0]=4 14784 B11R0.140 CCSCCN(C)CCCCO 269982a_100000717598_100000757381 [1,1,0,0,0,0|2,0,0]=4 14785 B11R0.140 CN(CCCCO)CCCCF 2230a_100000717598_100000729493 [1,1,0,0,0,0|2,0,0]=4 14786 B11R0.140 CN(CCCCO)CCCCF 269982a_100000717598_100000729493 [1,1,0,0,0,0|2,0,0]=4 14787 B11R0.140 CN(CCCCO)CCCCO 2230a_100000717598_100000210776 [1,1,0,0,0,0|2,0,0]=4 14788 B11R0.140 CN(CCCCO)CCCCO 2230a_100012279056_200000210301 [1,1,0,0,0,0|2,0,0]=4 14789 B11R0.140 CN(CCCCO)CCCCO 269982a_100000717598_100000210776 [1,1,0,0,0,0|2,0,0]=4 14790 B11R0.140 CN(CCCCO)CCCCO 34a_100012279056_200000210301 [1,1,0,0,0,0|2,0,0]=4 14791 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [1,1,0,0,0,0|1,0,1]=4 14792 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [1,1,0,0,0,0|1,0,1]=4 14793 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [1,1,0,0,0,0|2,0,0]=4 14794 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [1,1,0,0,0,0|2,0,0]=4 14795 B11R0.140 COCCCN(C)CCCCO 2230a_100000224831_100000210776 [1,1,0,0,0,0|2,0,0]=4 14796 B11R0.140 COCCCN(C)CCCCO 2230a_100000717598_100000740836 [1,1,0,0,0,0|2,0,0]=4 14797 B11R0.140 COCCCN(C)CCCCO 269982a_100000224831_100000210776 [1,1,0,0,0,0|2,0,0]=4 14798 B11R0.140 COCCCN(C)CCCCO 269982a_100000717598_100000740836 [1,1,0,0,0,0|2,0,0]=4 14799 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [1,1,0,0,0,0|1,0,1]=4 14800 B11R0.140 CSCCCC(C)NCCCO 270004a_100000182051_100011399439 [1,1,0,0,0,0|2,0,0]=4 14801 B11R0.140 NCCCC[C@H](N)COCCO 34a_100016993712_100000211926 [1,1,0,0,0,0|2,0,0]=4 14802 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [1,1,0,0,0,0|1,0,1]=4 14803 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [1,1,0,0,0,0|1,0,1]=4 14804 B11R0.140 [13CH3]N(CCCCO)CCCCO 2230a_100012279056_200025704644 [1,1,0,0,0,0|2,0,0]=4 14805 B11R0.140 [13CH3]N(CCCCO)CCCCO 34a_100012279056_200025704644 [1,1,0,0,0,0|2,0,0]=4 14806 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,1,0,0,0,0|1,0,1]=4 14807 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [1,1,0,0,0,0|1,0,1]=4 14808 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [1,1,0,0,0,0|1,0,1]=4 14809 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 14810 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|1,0,1]=4 14811 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 14812 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [1,1,0,0,0,0|1,0,1]=4 14813 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,1,0,0,0,0|1,0,1]=4 14814 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,1,0,0,0,0|1,0,1]=4 14815 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [1,1,0,0,0,0|1,0,1]=4 14816 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [1,1,0,0,0,0|1,0,1]=4 14817 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,1,0,0,0,0|1,0,1]=4 14818 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [1,1,0,0,0,0|1,0,1]=4 14819 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [1,1,0,0,0,0|1,0,1]=4 14820 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,1,0,0,0,0|1,0,1]=4 14821 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 14822 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 14823 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [1,1,0,0,0,0|1,0,1]=4 14824 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,1,0,0,0,0|1,0,1]=4 14825 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,1,0,0,0,0|1,0,1]=4 14826 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [1,1,0,0,0,0|1,0,1]=4 14827 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [1,1,0,0,0,0|1,0,1]=4 14828 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|0,0,1]=3 14829 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,1,0,0,0,0|1,0,1]=4 14830 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,1,0,0,0,0|1,0,1]=4 14831 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,1,0,0,0,0|1,0,1]=4 14832 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,1,0,0,0,0|1,0,1]=4 14833 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,1,0,0,0,0|1,0,1]=4 14834 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,1,0,0,0,0|1,0,1]=4 14835 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,1,0,0,0,0|1,0,1]=4 14836 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|1,0,1]=4 14837 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|1,0,1]=4 14838 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,1,0,0,0,0|1,0,1]=4 14839 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,1,0,0,0,0|1,0,1]=4 14840 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,1,0,0,0,0|1,0,1]=4 14841 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|1,0,1]=4 14842 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [1,1,0,0,0,0|2,0,0]=4 14843 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [1,1,0,0,0,0|1,0,0]=3 14844 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [1,1,0,0,0,0|2,0,0]=4 14845 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [1,1,0,0,0,0|2,0,0]=4 14846 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [1,1,0,0,0,0|1,0,0]=3 14847 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [1,1,0,0,0,0|1,0,0]=3 14848 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [1,1,0,0,0,0|1,0,0]=3 14849 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [1,1,0,0,0,0|2,0,0]=4 14850 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [1,1,0,0,0,0|2,0,0]=4 14851 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [1,1,0,0,0,0|2,0,0]=4 14852 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [1,1,0,0,0,0|2,0,0]=4 14853 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [1,1,0,0,0,0|1,0,0]=3 14854 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [1,1,0,0,0,0|1,0,0]=3 14855 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [1,1,0,0,0,0|1,0,0]=3 14856 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [1,1,0,0,0,0|1,0,0]=3 14857 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [1,1,0,0,0,0|2,0,0]=4 14858 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [1,1,0,0,0,0|2,0,0]=4 14859 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [1,1,0,0,0,0|2,0,0]=4 14860 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [1,1,0,0,0,0|2,0,0]=4 14861 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [1,1,0,0,0,0|1,0,0]=3 14862 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [1,1,0,0,0,0|1,0,0]=3 14863 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [1,1,0,0,0,0|2,0,0]=4 14864 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [1,1,0,0,0,0|2,0,0]=4 14865 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [1,1,0,0,0,0|1,0,0]=3 14866 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [1,1,0,0,0,0|1,0,0]=3 14867 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [1,1,0,0,0,0|2,0,0]=4 14868 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [1,1,0,0,0,0|2,0,0]=4 14869 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [1,1,0,0,0,0|2,0,0]=4 14870 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [1,1,0,0,0,0|2,0,0]=4 14871 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [1,1,0,0,0,0|2,0,0]=4 14872 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [1,1,0,0,0,0|2,0,0]=4 14873 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [1,1,0,0,0,0|2,0,0]=4 14874 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [1,1,0,0,0,0|2,0,0]=4 14875 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [1,1,0,0,0,0|1,0,0]=3 14876 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [1,1,0,0,0,0|1,0,0]=3 14877 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [1,1,0,0,0,0|2,0,0]=4 14878 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [1,1,0,0,0,0|2,0,0]=4 14879 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [1,1,0,0,0,0|1,0,0]=3 14880 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [1,1,0,0,0,0|1,0,0]=3 14881 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [1,1,0,0,0,0|2,0,0]=4 14882 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [1,1,0,0,0,0|2,0,0]=4 14883 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [1,1,0,0,0,0|1,0,0]=3 14884 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [1,1,0,0,0,0|1,0,0]=3 14885 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [1,1,0,0,0,0|1,0,0]=3 14886 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [1,1,0,0,0,0|1,0,0]=3 14887 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [1,1,0,0,0,0|2,0,0]=4 14888 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [1,1,0,0,0,0|2,0,0]=4 14889 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [1,1,0,0,0,0|2,0,0]=4 14890 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [1,1,0,0,0,0|2,0,0]=4 14891 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [1,1,0,0,0,0|2,0,0]=4 14892 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [1,1,0,0,0,0|2,0,0]=4 14893 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [1,1,0,0,0,0|2,0,0]=4 14894 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [1,1,0,0,0,0|2,0,0]=4 14895 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [1,1,0,0,0,0|2,0,0]=4 14896 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [1,1,0,0,0,0|1,0,0]=3 14897 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [1,1,0,0,0,0|1,0,0]=3 14898 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [1,1,0,0,0,0|2,0,0]=4 14899 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [1,1,0,0,0,0|2,0,0]=4 14900 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [1,1,0,0,0,0|1,0,0]=3 14901 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [1,1,0,0,0,0|1,0,0]=3 14902 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [1,1,0,0,0,0|1,0,0]=3 14903 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [1,1,0,0,0,0|1,0,0]=3 14904 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [1,1,0,0,0,0|1,0,0]=3 14905 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [1,1,0,0,0,0|2,0,0]=4 14906 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [1,1,0,0,0,0|2,0,0]=4 14907 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [1,1,0,0,0,0|2,0,0]=4 14908 B11R0.148 CC(C)CCNCCSCCO 2230a_100011219999_100000210312 [1,1,0,0,0,0|2,0,0]=4 14909 B11R0.148 CC(C)CCNCCSCCO 269862a_100011219999_100000185833 [1,1,0,0,0,0|2,0,0]=4 14910 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [1,1,0,0,0,0|2,0,0]=4 14911 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [1,1,0,0,0,0|2,0,0]=4 14912 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [1,1,0,0,0,0|2,0,0]=4 14913 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [1,1,0,0,0,0|2,0,0]=4 14914 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [1,1,0,0,0,0|2,0,0]=4 14915 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [1,1,0,0,0,0|2,0,0]=4 14916 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [1,1,0,0,0,0|2,0,0]=4 14917 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [1,1,0,0,0,0|2,0,0]=4 14918 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [1,1,0,0,0,0|2,0,0]=4 14919 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [1,1,0,0,0,0|1,0,0]=3 14920 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [1,1,0,0,0,0|1,0,0]=3 14921 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [1,1,0,0,0,0|2,0,0]=4 14922 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [1,1,0,0,0,0|2,0,0]=4 14923 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [1,1,0,0,0,0|2,0,0]=4 14924 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [1,1,0,0,0,0|2,0,0]=4 14925 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [1,1,0,0,0,0|1,0,0]=3 14926 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [1,1,0,0,0,0|1,0,0]=3 14927 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [1,1,0,0,0,0|2,0,0]=4 14928 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [1,1,0,0,0,0|2,0,0]=4 14929 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [1,1,0,0,0,0|2,0,0]=4 14930 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [1,1,0,0,0,0|2,0,0]=4 14931 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [1,1,0,0,0,0|1,0,0]=3 14932 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [1,1,0,0,0,0|1,0,0]=3 14933 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [1,1,0,0,0,0|1,0,0]=3 14934 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [1,1,0,0,0,0|1,0,0]=3 14935 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [1,1,0,0,0,0|1,0,0]=3 14936 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [1,1,0,0,0,0|2,0,0]=4 14937 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [1,1,0,0,0,0|2,0,0]=4 14938 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [1,1,0,0,0,0|2,0,0]=4 14939 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [1,1,0,0,0,0|2,0,0]=4 14940 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [1,1,0,0,0,0|2,0,0]=4 14941 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [1,1,0,0,0,0|2,0,0]=4 14942 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [1,1,0,0,0,0|2,0,0]=4 14943 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [1,1,0,0,0,0|2,0,0]=4 14944 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [1,1,0,0,0,0|2,0,0]=4 14945 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [1,1,0,0,0,0|1,0,0]=3 14946 B11R0.148 CC(C)COCCCNCCO 2230a_100000205972_100000211926 [1,1,0,0,0,0|2,0,0]=4 14947 B11R0.148 CC(C)COCCCNCCO 34a_100000205972_100000211926 [1,1,0,0,0,0|2,0,0]=4 14948 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [1,1,0,0,0,0|2,0,0]=4 14949 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [1,1,0,0,0,0|2,0,0]=4 14950 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [1,1,0,0,0,0|2,0,0]=4 14951 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [1,1,0,0,0,0|2,0,0]=4 14952 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [1,1,0,0,0,0|1,0,0]=3 14953 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [1,1,0,0,0,0|1,0,0]=3 14954 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [1,1,0,0,0,0|2,0,0]=4 14955 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [1,1,0,0,0,0|2,0,0]=4 14956 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [1,1,0,0,0,0|1,0,0]=3 14957 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [1,1,0,0,0,0|1,0,0]=3 14958 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [1,1,0,0,0,0|1,0,0]=3 14959 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [1,1,0,0,0,0|1,0,0]=3 14960 B11R0.148 CC(C)NCCCCOCCO 34a_100011521146_100000211926 [1,1,0,0,0,0|2,0,0]=4 14961 B11R0.148 CC(C)NCCCOCCCO 2230a_100011310245_100000210206 [1,1,0,0,0,0|2,0,0]=4 14962 B11R0.148 CC(C)NCCCOCCCO 34a_100000182298_100000230001 [1,1,0,0,0,0|2,0,0]=4 14963 B11R0.148 CC(C)NCCCOCCCO 34a_100011310245_100000210206 [1,1,0,0,0,0|2,0,0]=4 14964 B11R0.148 CC(C)NCCOCCCCO 34a_100000224655_100011216708 [1,1,0,0,0,0|2,0,0]=4 14965 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [1,1,0,0,0,0|2,0,0]=4 14966 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [1,1,0,0,0,0|2,0,0]=4 14967 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [1,1,0,0,0,0|2,0,0]=4 14968 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [1,1,0,0,0,0|1,0,0]=3 14969 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [1,1,0,0,0,0|2,0,0]=4 14970 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [1,1,0,0,0,0|2,0,0]=4 14971 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [1,1,0,0,0,0|2,0,0]=4 14972 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [1,1,0,0,0,0|2,0,0]=4 14973 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [1,1,0,0,0,0|2,0,0]=4 14974 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [1,1,0,0,0,0|2,0,0]=4 14975 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [1,1,0,0,0,0|2,0,0]=4 14976 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [1,1,0,0,0,0|2,0,0]=4 14977 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [1,1,0,0,0,0|2,0,0]=4 14978 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [1,1,0,0,0,0|2,0,0]=4 14979 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [1,1,0,0,0,0|2,0,0]=4 14980 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [1,1,0,0,0,0|2,0,0]=4 14981 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [1,1,0,0,0,0|2,0,0]=4 14982 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [1,1,0,0,0,0|2,0,0]=4 14983 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [1,1,0,0,0,0|1,0,0]=3 14984 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [1,1,0,0,0,0|1,0,0]=3 14985 B11R0.148 CC(C)SCCNCCCCO 2230a_100000731138_100000210776 [1,1,0,0,0,0|2,0,0]=4 14986 B11R0.148 CC(C)SCCNCCCCO 2230a_100000750430_100000730970 [1,1,0,0,0,0|2,0,0]=4 14987 B11R0.148 CC(C)SCCNCCCCO 34a_100000731138_100011216708 [1,1,0,0,0,0|2,0,0]=4 14988 B11R0.148 CC(C)SCCNCCCCO 34a_100000750430_100000730970 [1,1,0,0,0,0|2,0,0]=4 14989 B11R0.148 CC(C)SCCOCCCCO 34a_200011212901_100011216708 [1,1,0,0,0,0|2,0,0]=4 14990 B11R0.148 CC(C)SCCOCCCCO 7a_200011212901_100000210776 [1,1,0,0,0,0|2,0,0]=4 14991 B11R0.148 CC(C)SCCSCCCCO 62a_100000210776_100000730970 [1,1,0,0,0,0|2,0,0]=4 14992 B11R0.148 CC(C)SCCSCCCCO 62a_100000730970_100000210776 [1,1,0,0,0,0|2,0,0]=4 14993 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [1,1,0,0,0,0|2,0,0]=4 14994 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [1,1,0,0,0,0|1,0,0]=3 14995 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [1,1,0,0,0,0|1,0,0]=3 14996 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [1,1,0,0,0,0|1,0,0]=3 14997 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [1,1,0,0,0,0|2,0,0]=4 14998 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [1,1,0,0,0,0|2,0,0]=4 14999 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [1,1,0,0,0,0|2,0,0]=4 15000 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [1,1,0,0,0,0|2,0,0]=4 15001 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [1,1,0,0,0,0|2,0,0]=4 15002 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [1,1,0,0,0,0|2,0,0]=4 15003 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [1,1,0,0,0,0|2,0,0]=4 15004 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [1,1,0,0,0,0|2,0,0]=4 15005 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [1,1,0,0,0,0|2,0,0]=4 15006 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [1,1,0,0,0,0|1,0,0]=3 15007 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [1,1,0,0,0,0|1,0,0]=3 15008 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [1,1,0,0,0,0|2,0,0]=4 15009 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [1,1,0,0,0,0|1,0,0]=3 15010 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [1,1,0,0,0,0|1,0,0]=3 15011 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [1,1,0,0,0,0|1,0,0]=3 15012 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [1,1,0,0,0,0|2,0,0]=4 15013 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [1,1,0,0,0,0|2,0,0]=4 15014 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [1,1,0,0,0,0|2,0,0]=4 15015 B11R0.148 CC(O)CCNCCSCCO 2230a_100011219999_100012276601 [1,1,0,0,0,0|2,0,0]=4 15016 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [1,1,0,0,0,0|2,0,0]=4 15017 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [1,1,0,0,0,0|2,0,0]=4 15018 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [1,1,0,0,0,0|2,0,0]=4 15019 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [1,1,0,0,0,0|2,0,0]=4 15020 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [1,1,0,0,0,0|2,0,0]=4 15021 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [1,1,0,0,0,0|2,0,0]=4 15022 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [1,1,0,0,0,0|2,0,0]=4 15023 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [1,1,0,0,0,0|2,0,0]=4 15024 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [1,1,0,0,0,0|2,0,0]=4 15025 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [1,1,0,0,0,0|1,0,0]=3 15026 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [1,1,0,0,0,0|1,0,0]=3 15027 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [1,1,0,0,0,0|2,0,0]=4 15028 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [1,1,0,0,0,0|2,0,0]=4 15029 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [1,1,0,0,0,0|2,0,0]=4 15030 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [1,1,0,0,0,0|2,0,0]=4 15031 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [1,1,0,0,0,0|1,0,0]=3 15032 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [1,1,0,0,0,0|1,0,0]=3 15033 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [1,1,0,0,0,0|1,0,0]=3 15034 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [1,1,0,0,0,0|1,0,0]=3 15035 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [1,1,0,0,0,0|2,0,0]=4 15036 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [1,1,0,0,0,0|2,0,0]=4 15037 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [1,1,0,0,0,0|2,0,0]=4 15038 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [1,1,0,0,0,0|2,0,0]=4 15039 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [1,1,0,0,0,0|2,0,0]=4 15040 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [1,1,0,0,0,0|2,0,0]=4 15041 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [1,1,0,0,0,0|2,0,0]=4 15042 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [1,1,0,0,0,0|2,0,0]=4 15043 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [1,1,0,0,0,0|2,0,0]=4 15044 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [1,1,0,0,0,0|1,0,0]=3 15045 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [1,1,0,0,0,0|1,0,0]=3 15046 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|0,0,1]=3 15047 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|0,0,1]=3 15048 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|0,0,1]=3 15049 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [1,1,0,0,0,0|1,0,0]=3 15050 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [1,1,0,0,0,0|1,0,0]=3 15051 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [1,1,0,0,0,0|1,0,0]=3 15052 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [1,1,0,0,0,0|1,0,0]=3 15053 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [1,1,0,0,0,0|1,0,0]=3 15054 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [1,1,0,0,0,0|1,0,0]=3 15055 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 15056 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 15057 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 15058 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|1,0,1]=4 15059 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [1,1,0,0,0,0|1,0,0]=3 15060 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [1,1,0,0,0,0|1,0,0]=3 15061 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [1,1,0,0,0,0|1,0,0]=3 15062 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [1,1,0,0,0,0|1,0,0]=3 15063 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [1,1,0,0,0,0|1,0,0]=3 15064 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [1,1,0,0,0,0|1,0,0]=3 15065 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [1,1,0,0,0,0|1,0,0]=3 15066 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [1,1,0,0,0,0|1,0,0]=3 15067 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [1,1,0,0,0,0|1,0,0]=3 15068 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|1,0,1]=4 15069 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [1,1,0,0,0,0|1,0,0]=3 15070 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [1,1,0,0,0,0|1,0,0]=3 15071 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [1,1,0,0,0,0|1,0,0]=3 15072 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [1,1,0,0,0,0|1,0,0]=3 15073 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,1,0,0,0,0|1,0,0]=3 15074 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,1,0,0,0,0|1,0,0]=3 15075 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,1,0,0,0,0|1,0,0]=3 15076 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [1,1,0,0,0,0|2,0,0]=4 15077 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [1,1,0,0,0,0|2,0,0]=4 15078 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,1,0,0,0,0|1,0,0]=3 15079 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|1,0,1]=4 15080 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [1,1,0,0,0,0|1,0,0]=3 15081 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [1,1,0,0,0,0|1,0,0]=3 15082 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [1,1,0,0,0,0|1,0,0]=3 15083 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [1,1,0,0,0,0|1,0,0]=3 15084 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [1,1,0,0,0,0|1,0,0]=3 15085 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,1,0,0,0,0|1,0,0]=3 15086 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,1,0,0,0,0|1,0,0]=3 15087 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [1,1,0,0,0,0|2,0,0]=4 15088 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [1,1,0,0,0,0|2,0,0]=4 15089 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [1,1,0,0,0,0|2,0,0]=4 15090 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [1,1,0,0,0,0|1,0,0]=3 15091 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [1,1,0,0,0,0|1,0,0]=3 15092 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,1,0,0,0,0|1,0,0]=3 15093 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,1,0,0,0,0|1,0,0]=3 15094 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [1,1,0,0,0,0|1,0,0]=3 15095 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [1,1,0,0,0,0|1,0,0]=3 15096 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,1,0,0,0,0|1,0,0]=3 15097 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,1,0,0,0,0|1,0,0]=3 15098 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [1,1,0,0,0,0|2,0,0]=4 15099 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [1,1,0,0,0,0|2,0,0]=4 15100 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,1,0,0,0,0|1,0,0]=3 15101 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,1,0,0,0,0|1,0,0]=3 15102 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [1,1,0,0,0,0|1,0,0]=3 15103 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [1,1,0,0,0,0|1,0,0]=3 15104 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,1,0,0,0,0|1,0,0]=3 15105 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,1,0,0,0,0|1,0,0]=3 15106 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [1,1,0,0,0,0|2,0,0]=4 15107 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 15108 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|1,0,1]=4 15109 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 15110 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [1,1,0,0,0,0|1,0,0]=3 15111 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [1,1,0,0,0,0|1,0,0]=3 15112 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [1,1,0,0,0,0|1,0,0]=3 15113 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [1,1,0,0,0,0|1,0,0]=3 15114 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [1,1,0,0,0,0|1,0,0]=3 15115 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,1,0,0,0,0|1,0,0]=3 15116 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,1,0,0,0,0|1,0,0]=3 15117 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [1,1,0,0,0,0|2,0,0]=4 15118 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [1,1,0,0,0,0|2,0,0]=4 15119 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,0]=3 15120 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [1,1,0,0,0,0|2,0,0]=4 15121 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|1,0,1]=4 15122 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|1,0,1]=4 15123 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [1,1,0,0,0,0|1,0,0]=3 15124 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [1,1,0,0,0,0|1,0,0]=3 15125 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,1,0,0,0,0|1,0,0]=3 15126 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,1,0,0,0,0|1,0,0]=3 15127 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [1,1,0,0,0,0|2,0,0]=4 15128 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [1,1,0,0,0,0|2,0,0]=4 15129 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [1,1,0,0,0,0|2,0,0]=4 15130 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [1,1,0,0,0,0|1,0,0]=3 15131 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [1,1,0,0,0,0|1,0,0]=3 15132 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [1,1,0,0,0,0|1,0,0]=3 15133 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,1,0,0,0,0|1,0,0]=3 15134 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [1,1,0,0,0,0|2,0,0]=4 15135 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [1,1,0,0,0,0|2,0,0]=4 15136 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [1,1,0,0,0,0|2,0,0]=4 15137 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [1,1,0,0,0,0|2,0,0]=4 15138 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [1,1,0,0,0,0|2,0,0]=4 15139 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [1,1,0,0,0,0|2,0,0]=4 15140 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [1,1,0,0,0,0|2,0,0]=4 15141 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [1,1,0,0,0,0|2,0,0]=4 15142 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|1,0,1]=4 15143 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|1,0,1]=4 15144 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|1,0,1]=4 15145 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|1,0,1]=4 15146 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [1,1,0,0,0,0|1,0,0]=3 15147 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [1,1,0,0,0,0|1,0,0]=3 15148 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [1,1,0,0,0,0|1,0,0]=3 15149 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [1,1,0,0,0,0|1,0,0]=3 15150 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,1,0,0,0,0|1,0,0]=3 15151 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,1,0,0,0,0|1,0,0]=3 15152 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [1,1,0,0,0,0|2,0,0]=4 15153 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [1,1,0,0,0,0|2,0,0]=4 15154 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [1,1,0,0,0,0|2,0,0]=4 15155 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [1,1,0,0,0,0|2,0,0]=4 15156 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [1,1,0,0,0,0|2,0,0]=4 15157 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [1,1,0,0,0,0|2,0,0]=4 15158 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [1,1,0,0,0,0|2,0,0]=4 15159 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [1,1,0,0,0,0|2,0,0]=4 15160 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [1,1,0,0,0,0|2,0,0]=4 15161 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [1,1,0,0,0,0|2,0,0]=4 15162 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [1,1,0,0,0,0|2,0,0]=4 15163 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [1,1,0,0,0,0|2,0,0]=4 15164 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|1,0,1]=4 15165 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|1,0,1]=4 15166 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [1,1,0,0,0,0|1,0,0]=3 15167 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [1,1,0,0,0,0|1,0,0]=3 15168 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,1,0,0,0,0|1,0,0]=3 15169 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,1,0,0,0,0|1,0,0]=3 15170 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [1,1,0,0,0,0|2,0,0]=4 15171 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [1,1,0,0,0,0|2,0,0]=4 15172 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [1,1,0,0,0,0|2,0,0]=4 15173 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [1,1,0,0,0,0|2,0,0]=4 15174 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [1,1,0,0,0,0|2,0,0]=4 15175 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [1,1,0,0,0,0|2,0,0]=4 15176 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [1,1,0,0,0,0|2,0,0]=4 15177 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|1,0,1]=4 15178 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [1,1,0,0,0,0|1,0,0]=3 15179 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [1,1,0,0,0,0|1,0,0]=3 15180 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [1,1,0,0,0,0|2,0,0]=4 15181 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [1,1,0,0,0,0|2,0,0]=4 15182 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [1,1,0,0,0,0|2,0,0]=4 15183 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [1,1,0,0,0,0|2,0,0]=4 15184 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|1,0,1]=4 15185 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|1,0,1]=4 15186 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [1,1,0,0,0,0|1,0,0]=3 15187 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [1,1,0,0,0,0|1,0,0]=3 15188 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [1,1,0,0,0,0|1,0,0]=3 15189 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [1,1,0,0,0,0|1,0,0]=3 15190 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [1,1,0,0,0,0|2,0,0]=4 15191 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [1,1,0,0,0,0|2,0,0]=4 15192 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [1,1,0,0,0,0|2,0,0]=4 15193 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [1,1,0,0,0,0|2,0,0]=4 15194 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [1,1,0,0,0,0|2,0,0]=4 15195 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [1,1,0,0,0,0|2,0,0]=4 15196 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [1,1,0,0,0,0|2,0,0]=4 15197 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [1,1,0,0,0,0|2,0,0]=4 15198 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [1,1,0,0,0,0|2,0,0]=4 15199 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [1,1,0,0,0,0|2,0,0]=4 15200 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [1,1,0,0,0,0|2,0,0]=4 15201 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [1,1,0,0,0,0|2,0,0]=4 15202 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [1,1,0,0,0,0|2,0,0]=4 15203 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [1,1,0,0,0,0|2,0,0]=4 15204 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [1,1,0,0,0,0|2,0,0]=4 15205 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [1,1,0,0,0,0|2,0,0]=4 15206 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [1,1,0,0,0,0|2,0,0]=4 15207 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [1,1,0,0,0,0|2,0,0]=4 15208 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [1,1,0,0,0,0|2,0,0]=4 15209 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [1,1,0,0,0,0|2,0,0]=4 15210 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [1,1,0,0,0,0|2,0,0]=4 15211 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [1,1,0,0,0,0|2,0,0]=4 15212 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [1,1,0,0,0,0|2,0,0]=4 15213 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [1,1,0,0,0,0|2,0,0]=4 15214 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [1,1,0,0,0,0|2,0,0]=4 15215 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [1,1,0,0,0,0|2,0,0]=4 15216 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [1,1,0,0,0,0|2,0,0]=4 15217 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [1,1,0,0,0,0|2,0,0]=4 15218 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [1,1,0,0,0,0|2,0,0]=4 15219 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [1,1,0,0,0,0|2,0,0]=4 15220 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [1,1,0,0,0,0|2,0,0]=4 15221 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [1,1,0,0,0,0|2,0,0]=4 15222 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [1,1,0,0,0,0|2,0,0]=4 15223 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [1,1,0,0,0,0|2,0,0]=4 15224 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [1,1,0,0,0,0|2,0,0]=4 15225 B11R0.148 CCCCOCSCCC(C)C 62a_100000210312_100011995733 [1,1,0,0,0,0|2,0,0]=4 15226 B11R0.148 CCCCOCSCCC(C)C 62a_100011995733_100000210312 [1,1,0,0,0,0|2,0,0]=4 15227 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [1,1,0,0,0,0|2,0,0]=4 15228 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [1,1,0,0,0,0|2,0,0]=4 15229 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [1,1,0,0,0,0|2,0,0]=4 15230 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [1,1,0,0,0,0|2,0,0]=4 15231 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|1,0,1]=4 15232 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|1,0,1]=4 15233 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [1,1,0,0,0,0|1,0,0]=3 15234 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [1,1,0,0,0,0|1,0,0]=3 15235 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [1,1,0,0,0,0|2,0,0]=4 15236 B11R0.148 CCCCSCCNCC(C)C 2230a_100025743550_100000210760 [1,1,0,0,0,0|2,0,0]=4 15237 B11R0.148 CCCCSCCNCC(C)C 270004a_100025743550_100000210432 [1,1,0,0,0,0|2,0,0]=4 15238 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [1,1,0,0,0,0|2,0,0]=4 15239 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [1,1,0,0,0,0|2,0,0]=4 15240 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [1,1,0,0,0,0|2,0,0]=4 15241 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [1,1,0,0,0,0|2,0,0]=4 15242 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [1,1,0,0,0,0|2,0,0]=4 15243 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [1,1,0,0,0,0|2,0,0]=4 15244 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [1,1,0,0,0,0|2,0,0]=4 15245 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [1,1,0,0,0,0|2,0,0]=4 15246 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [1,1,0,0,0,0|1,0,0]=3 15247 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [1,1,0,0,0,0|1,0,0]=3 15248 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [1,1,0,0,0,0|2,0,0]=4 15249 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [1,1,0,0,0,0|2,0,0]=4 15250 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [1,1,0,0,0,0|2,0,0]=4 15251 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [1,1,0,0,0,0|1,0,0]=3 15252 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [1,1,0,0,0,0|1,0,0]=3 15253 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [1,1,0,0,0,0|1,0,0]=3 15254 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [1,1,0,0,0,0|2,0,0]=4 15255 B11R0.148 CCCOCCCNCC(C)C 2230a_100011217757_100000210760 [1,1,0,0,0,0|2,0,0]=4 15256 B11R0.148 CCCOCCCNCC(C)C 270004a_100011217757_100000210432 [1,1,0,0,0,0|2,0,0]=4 15257 B11R0.148 CCCOCCCNCC(C)C 34a_100011217757_100000210624 [1,1,0,0,0,0|2,0,0]=4 15258 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [1,1,0,0,0,0|2,0,0]=4 15259 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [1,1,0,0,0,0|2,0,0]=4 15260 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [1,1,0,0,0,0|2,0,0]=4 15261 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [1,1,0,0,0,0|2,0,0]=4 15262 B11R0.148 CCCOCCNCCC(C)C 2230a_100161115042_100000210312 [1,1,0,0,0,0|2,0,0]=4 15263 B11R0.148 CCCOCCNCCC(C)C 269862a_100161115042_100000185833 [1,1,0,0,0,0|2,0,0]=4 15264 B11R0.148 CCCOCCNCCC(C)C 34a_100161115042_100000210312 [1,1,0,0,0,0|2,0,0]=4 15265 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [1,1,0,0,0,0|2,0,0]=4 15266 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [1,1,0,0,0,0|2,0,0]=4 15267 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [1,1,0,0,0,0|2,0,0]=4 15268 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [1,1,0,0,0,0|2,0,0]=4 15269 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [1,1,0,0,0,0|2,0,0]=4 15270 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [1,1,0,0,0,0|2,0,0]=4 15271 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [1,1,0,0,0,0|2,0,0]=4 15272 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [1,1,0,0,0,0|2,0,0]=4 15273 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [1,1,0,0,0,0|2,0,0]=4 15274 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [1,1,0,0,0,0|2,0,0]=4 15275 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [1,1,0,0,0,0|2,0,0]=4 15276 B11R0.148 CCCOCCSCCC(C)C 62a_100000210312_100011215938 [1,1,0,0,0,0|2,0,0]=4 15277 B11R0.148 CCCOCCSCCC(C)C 62a_100011215938_100000210312 [1,1,0,0,0,0|2,0,0]=4 15278 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [1,1,0,0,0,0|2,0,0]=4 15279 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [1,1,0,0,0,0|2,0,0]=4 15280 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [1,1,0,0,0,0|2,0,0]=4 15281 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [1,1,0,0,0,0|2,0,0]=4 15282 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [1,1,0,0,0,0|1,0,0]=3 15283 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [1,1,0,0,0,0|1,0,0]=3 15284 B11R0.148 CCCSCCNCCC(C)C 2230a_100020603323_100000210312 [1,1,0,0,0,0|2,0,0]=4 15285 B11R0.148 CCCSCCNCCC(C)C 269862a_100020603323_100000185833 [1,1,0,0,0,0|2,0,0]=4 15286 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [1,1,0,0,0,0|2,0,0]=4 15287 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [1,1,0,0,0,0|2,0,0]=4 15288 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [1,1,0,0,0,0|2,0,0]=4 15289 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [1,1,0,0,0,0|2,0,0]=4 15290 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [1,1,0,0,0,0|2,0,0]=4 15291 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [1,1,0,0,0,0|2,0,0]=4 15292 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [1,1,0,0,0,0|1,0,0]=3 15293 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [1,1,0,0,0,0|1,0,0]=3 15294 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [1,1,0,0,0,0|2,0,0]=4 15295 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [1,1,0,0,0,0|2,0,0]=4 15296 B11R0.148 CCOCCCNCCC(C)C 2230a_100000210961_100000210312 [1,1,0,0,0,0|2,0,0]=4 15297 B11R0.148 CCOCCCNCCC(C)C 269862a_100000210961_100000185833 [1,1,0,0,0,0|2,0,0]=4 15298 B11R0.148 CCOCCCNCCC(C)C 34a_100000210961_100000210312 [1,1,0,0,0,0|2,0,0]=4 15299 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [1,1,0,0,0,0|2,0,0]=4 15300 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [1,1,0,0,0,0|2,0,0]=4 15301 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [1,1,0,0,0,0|2,0,0]=4 15302 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [1,1,0,0,0,0|2,0,0]=4 15303 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [1,1,0,0,0,0|2,0,0]=4 15304 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [1,1,0,0,0,0|2,0,0]=4 15305 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [1,1,0,0,0,0|2,0,0]=4 15306 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [1,1,0,0,0,0|2,0,0]=4 15307 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [1,1,0,0,0,0|2,0,0]=4 15308 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [1,1,0,0,0,0|2,0,0]=4 15309 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [1,1,0,0,0,0|2,0,0]=4 15310 B11R0.148 CCOCCCSCCC(C)C 62a_100000210312_100012232248 [1,1,0,0,0,0|2,0,0]=4 15311 B11R0.148 CCOCCCSCCC(C)C 62a_100012232248_100000210312 [1,1,0,0,0,0|2,0,0]=4 15312 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [1,1,0,0,0,0|2,0,0]=4 15313 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [1,1,0,0,0,0|2,0,0]=4 15314 B11R0.148 CCOCCNCCCC(C)C 2230a_102516460346_100011214892 [1,1,0,0,0,0|2,0,0]=4 15315 B11R0.148 CCOCCNCCCC(C)C 2230a_200000737386_100011215890 [1,1,0,0,0,0|2,0,0]=4 15316 B11R0.148 CCOCCNCCCC(C)C 34a_102516460346_100011214892 [1,1,0,0,0,0|2,0,0]=4 15317 B11R0.148 CCOCCNCCCC(C)C 34a_200000737386_100000210147 [1,1,0,0,0,0|2,0,0]=4 15318 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [1,1,0,0,0,0|2,0,0]=4 15319 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [1,1,0,0,0,0|2,0,0]=4 15320 B11R0.148 CCOCCOCCCC(C)C 34a_100000210136_100011214892 [1,1,0,0,0,0|2,0,0]=4 15321 B11R0.148 CCOCCOCCCC(C)C 34a_100000210774_100000210147 [1,1,0,0,0,0|2,0,0]=4 15322 B11R0.148 CCOCCOCCCC(C)C 7a_100000210136_100011214892 [1,1,0,0,0,0|2,0,0]=4 15323 B11R0.148 CCOCCOCCCC(C)C 7a_100000210774_100011215890 [1,1,0,0,0,0|2,0,0]=4 15324 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [1,1,0,0,0,0|2,0,0]=4 15325 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [1,1,0,0,0,0|2,0,0]=4 15326 B11R0.148 CCOCCSCCCC(C)C 62a_100000210147_100011214892 [1,1,0,0,0,0|2,0,0]=4 15327 B11R0.148 CCOCCSCCCC(C)C 62a_100011214892_100011215890 [1,1,0,0,0,0|2,0,0]=4 15328 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [1,1,0,0,0,0|2,0,0]=4 15329 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [1,1,0,0,0,0|2,0,0]=4 15330 B11R0.148 CCOCSCCCCC(C)C 62a_100000739092_100011216152 [1,1,0,0,0,0|2,0,0]=4 15331 B11R0.148 CCOCSCCCCC(C)C 62a_100011216152_100000739092 [1,1,0,0,0,0|2,0,0]=4 15332 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [1,1,0,0,0,0|2,0,0]=4 15333 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [1,1,0,0,0,0|2,0,0]=4 15334 B11R0.148 CCSCCCOCCC(C)C 34a_100011216438_100000210312 [1,1,0,0,0,0|2,0,0]=4 15335 B11R0.148 CCSCCCOCCC(C)C 7a_100011216438_100000210626 [1,1,0,0,0,0|2,0,0]=4 15336 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [1,1,0,0,0,0|2,0,0]=4 15337 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [1,1,0,0,0,0|2,0,0]=4 15338 B11R0.148 CCSCCNCCCC(C)C 2230a_100000106463_100011214892 [1,1,0,0,0,0|2,0,0]=4 15339 B11R0.148 CCSCCNCCCC(C)C 2230a_200000737386_100000757381 [1,1,0,0,0,0|2,0,0]=4 15340 B11R0.148 CCSCCNCCCC(C)C 34a_200000737386_100000757381 [1,1,0,0,0,0|2,0,0]=4 15341 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [1,1,0,0,0,0|2,0,0]=4 15342 B11R0.148 CCSCCOCCCC(C)C 34a_100000210774_100000757381 [1,1,0,0,0,0|2,0,0]=4 15343 B11R0.148 CCSCCOCCCC(C)C 34a_100000212035_100011214892 [1,1,0,0,0,0|2,0,0]=4 15344 B11R0.148 CCSCCOCCCC(C)C 7a_100000210774_100000757381 [1,1,0,0,0,0|2,0,0]=4 15345 B11R0.148 CCSCCOCCCC(C)C 7a_100000212035_100011214892 [1,1,0,0,0,0|2,0,0]=4 15346 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [1,1,0,0,0,0|2,0,0]=4 15347 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [1,1,0,0,0,0|2,0,0]=4 15348 B11R0.148 CCSCCSCCCC(C)C 62a_100000757381_100011214892 [1,1,0,0,0,0|2,0,0]=4 15349 B11R0.148 CCSCCSCCCC(C)C 62a_100011214892_100000757381 [1,1,0,0,0,0|2,0,0]=4 15350 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [1,1,0,0,0,0|2,0,0]=4 15351 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [1,1,0,0,0,0|2,0,0]=4 15352 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [1,1,0,0,0,0|1,0,0]=3 15353 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [1,1,0,0,0,0|1,0,0]=3 15354 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [1,1,0,0,0,0|2,0,0]=4 15355 B11R0.148 CN(C)CCCSCCCCO 62a_100000210776_100000757444 [1,1,0,0,0,0|2,0,0]=4 15356 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [1,1,0,0,0,0|2,0,0]=4 15357 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [1,1,0,0,0,0|2,0,0]=4 15358 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [1,1,0,0,0,0|2,0,0]=4 15359 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [1,1,0,0,0,0|2,0,0]=4 15360 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [1,1,0,0,0,0|2,0,0]=4 15361 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [1,1,0,0,0,0|2,0,0]=4 15362 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [1,1,0,0,0,0|1,0,0]=3 15363 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [1,1,0,0,0,0|1,0,0]=3 15364 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [1,1,0,0,0,0|2,0,0]=4 15365 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [1,1,0,0,0,0|2,0,0]=4 15366 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [1,1,0,0,0,0|2,0,0]=4 15367 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [1,1,0,0,0,0|2,0,0]=4 15368 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [1,1,0,0,0,0|2,0,0]=4 15369 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [1,1,0,0,0,0|2,0,0]=4 15370 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [1,1,0,0,0,0|2,0,0]=4 15371 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [1,1,0,0,0,0|2,0,0]=4 15372 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [1,1,0,0,0,0|2,0,0]=4 15373 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [1,1,0,0,0,0|2,0,0]=4 15374 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [1,1,0,0,0,0|2,0,0]=4 15375 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [1,1,0,0,0,0|2,0,0]=4 15376 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [1,1,0,0,0,0|2,0,0]=4 15377 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [1,1,0,0,0,0|2,0,0]=4 15378 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [1,1,0,0,0,0|2,0,0]=4 15379 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [1,1,0,0,0,0|2,0,0]=4 15380 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [1,1,0,0,0,0|2,0,0]=4 15381 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [1,1,0,0,0,0|2,0,0]=4 15382 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [1,1,0,0,0,0|2,0,0]=4 15383 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [1,1,0,0,0,0|2,0,0]=4 15384 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [1,1,0,0,0,0|2,0,0]=4 15385 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [1,1,0,0,0,0|2,0,0]=4 15386 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [1,1,0,0,0,0|2,0,0]=4 15387 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [1,1,0,0,0,0|2,0,0]=4 15388 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [1,1,0,0,0,0|2,0,0]=4 15389 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [1,1,0,0,0,0|2,0,0]=4 15390 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [1,1,0,0,0,0|2,0,0]=4 15391 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [1,1,0,0,0,0|2,0,0]=4 15392 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [1,1,0,0,0,0|2,0,0]=4 15393 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [1,1,0,0,0,0|2,0,0]=4 15394 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [1,1,0,0,0,0|2,0,0]=4 15395 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [1,1,0,0,0,0|2,0,0]=4 15396 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [1,1,0,0,0,0|2,0,0]=4 15397 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [1,1,0,0,0,0|2,0,0]=4 15398 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [1,1,0,0,0,0|2,0,0]=4 15399 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [1,1,0,0,0,0|2,0,0]=4 15400 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [1,1,0,0,0,0|2,0,0]=4 15401 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [1,1,0,0,0,0|2,0,0]=4 15402 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [1,1,0,0,0,0|2,0,0]=4 15403 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [1,1,0,0,0,0|2,0,0]=4 15404 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [1,1,0,0,0,0|2,0,0]=4 15405 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [1,1,0,0,0,0|2,0,0]=4 15406 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [1,1,0,0,0,0|2,0,0]=4 15407 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [1,1,0,0,0,0|2,0,0]=4 15408 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [1,1,0,0,0,0|2,0,0]=4 15409 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [1,1,0,0,0,0|2,0,0]=4 15410 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [1,1,0,0,0,0|2,0,0]=4 15411 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [1,1,0,0,0,0|2,0,0]=4 15412 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [1,1,0,0,0,0|2,0,0]=4 15413 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [1,1,0,0,0,0|2,0,0]=4 15414 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [1,1,0,0,0,0|2,0,0]=4 15415 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [1,1,0,0,0,0|2,0,0]=4 15416 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [1,1,0,0,0,0|2,0,0]=4 15417 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [1,1,0,0,0,0|2,0,0]=4 15418 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [1,1,0,0,0,0|2,0,0]=4 15419 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [1,1,0,0,0,0|2,0,0]=4 15420 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [1,1,0,0,0,0|2,0,0]=4 15421 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [1,1,0,0,0,0|2,0,0]=4 15422 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [1,1,0,0,0,0|2,0,0]=4 15423 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [1,1,0,0,0,0|2,0,0]=4 15424 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [1,1,0,0,0,0|2,0,0]=4 15425 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [1,1,0,0,0,0|2,0,0]=4 15426 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [1,1,0,0,0,0|2,0,0]=4 15427 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [1,1,0,0,0,0|2,0,0]=4 15428 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [1,1,0,0,0,0|2,0,0]=4 15429 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [1,1,0,0,0,0|2,0,0]=4 15430 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [1,1,0,0,0,0|2,0,0]=4 15431 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [1,1,0,0,0,0|2,0,0]=4 15432 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [1,1,0,0,0,0|2,0,0]=4 15433 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [1,1,0,0,0,0|2,0,0]=4 15434 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [1,1,0,0,0,0|1,0,0]=3 15435 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [1,1,0,0,0,0|2,0,0]=4 15436 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|1,0,0]=3 15437 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [1,1,0,0,0,0|2,0,0]=4 15438 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [1,1,0,0,0,0|2,0,0]=4 15439 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [1,1,0,0,0,0|1,0,0]=3 15440 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [1,1,0,0,0,0|1,0,0]=3 15441 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [1,1,0,0,0,0|1,0,0]=3 15442 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [1,1,0,0,0,0|2,0,0]=4 15443 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [1,1,0,0,0,0|2,0,0]=4 15444 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [1,1,0,0,0,0|2,0,0]=4 15445 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [1,1,0,0,0,0|2,0,0]=4 15446 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [1,1,0,0,0,0|2,0,0]=4 15447 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [1,1,0,0,0,0|2,0,0]=4 15448 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [1,1,0,0,0,0|2,0,0]=4 15449 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [1,1,0,0,0,0|2,0,0]=4 15450 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [1,1,0,0,0,0|2,0,0]=4 15451 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [1,1,0,0,0,0|1,0,0]=3 15452 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [1,1,0,0,0,0|1,0,0]=3 15453 B11R0.148 OCCCCCCNCC(F)F 2230a_100000686447_100011934356 [1,1,0,0,0,0|2,0,0]=4 15454 B11R0.148 OCCCCCCNCC(F)F 34a_100000686447_100011934356 [1,1,0,0,0,0|2,0,0]=4 15455 B11R0.148 OCCCCCCNCC(F)F 34a_100000765723_100000766143 [1,1,0,0,0,0|2,0,0]=4 15456 B11R0.148 OCCCCCCOCC(F)F 34a_100000743014_100000766143 [1,1,0,0,0,0|2,0,0]=4 15457 B11R0.148 OCCCCCCSCC(F)F 62a_100000766143_100011934356 [1,1,0,0,0,0|2,0,0]=4 15458 B11R0.148 OCCCCCCSCC(F)F 62a_100011934356_100000766143 [1,1,0,0,0,0|2,0,0]=4 15459 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [1,1,0,0,0,0|2,0,0]=4 15460 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,2,0,0,0,0|1,0,1]=4 15461 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,2,0,0,0,0|1,0,1]=4 15462 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,2,0,0,0,0|0,0,2]=4 15463 B13R0.2 C#CCC(C)OCCCCCCCC 34a_100000685586_100000210759 [0,2,0,0,0,0|1,0,1]=4 15464 B13R0.2 C#CCC(C)OCCCCCCCC 7a_100000685586_100000210759 [0,2,0,0,0,0|1,0,1]=4 15465 B13R0.2 C#CCC(C)OCCCCCCCO 34a_100000685586_100000760002 [0,2,0,0,0,0|0,0,2]=4 15466 B13R0.2 C#CCC(C)OCCCCCCCO 7a_100000685586_100000760002 [0,2,0,0,0,0|0,0,2]=4 15467 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,2,0,0,0,0|1,0,1]=4 15468 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,2,0,0,0,0|1,0,1]=4 15469 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|0,0,2]=4 15470 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|0,0,2]=4 15471 B13R0.2 C#CCCCCCCCN(C)CCC 2230a_100000747261_100153394163 [0,2,0,0,0,0|1,0,1]=4 15472 B13R0.2 C#CCCCCCCCN(C)CCC 269982a_100000747261_100153394163 [0,2,0,0,0,0|1,0,1]=4 15473 B13R0.2 C#CCCCCCCCN(C)CCO 2230a_100000210263_100153394163 [0,2,0,0,0,0|0,0,2]=4 15474 B13R0.2 C#CCCCCCCCN(C)CCO 269982a_100000210263_100153394163 [0,2,0,0,0,0|0,0,2]=4 15475 B13R0.2 C#CCCCCCCNC(C)CCC 2230a_100000741246_100012276617 [0,2,0,0,0,0|1,0,1]=4 15476 B13R0.2 C#CCCCCCCN[C@H](C)CCO 2230a_100000706166_100012276617 [0,2,0,0,0,0|0,0,2]=4 15477 B13R0.2 C#CCCCCCCN[C@H](C)CCO 34a_100000706166_100012276617 [0,2,0,0,0,0|0,0,2]=4 15478 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100000764384_100012276617 [0,2,0,0,0,0|1,0,1]=4 15479 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100011217361_100000766640 [0,2,0,0,0,0|1,0,1]=4 15480 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100000764384_100012276617 [0,2,0,0,0,0|1,0,1]=4 15481 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100011217361_100000766640 [0,2,0,0,0,0|1,0,1]=4 15482 B13R0.2 C#CCCCCCCOC(C)CCO 34a_100011217361_100009893172 [0,2,0,0,0,0|0,0,2]=4 15483 B13R0.2 C#CCCCCCCOC(C)CCO 7a_100011217361_100009893172 [0,2,0,0,0,0|0,0,2]=4 15484 B13R0.2 C#CCCCCCCSC(C)CCC 62a_100000766640_100012276617 [0,2,0,0,0,0|1,0,1]=4 15485 B13R0.2 C#CCCCCCCSC(C)CCC 62a_100012276617_100000766640 [0,2,0,0,0,0|1,0,1]=4 15486 B13R0.2 C#CCCCCCCSC(C)CCO 62a_100009893172_100012276617 [0,2,0,0,0,0|0,0,2]=4 15487 B13R0.2 C#CCCCCCCSC(C)CCO 62a_100012276617_100009893172 [0,2,0,0,0,0|0,0,2]=4 15488 B13R0.2 C#CCCCCCOCC(C)CCC 34a_100000688023_100012094781 [0,2,0,0,0,0|1,0,1]=4 15489 B13R0.2 C#CCCCCCOCC(C)CCC 34a_100000766912_100011216630 [0,2,0,0,0,0|1,0,1]=4 15490 B13R0.2 C#CCCCCCOCC(C)CCC 7a_100000688023_100012094781 [0,2,0,0,0,0|1,0,1]=4 15491 B13R0.2 C#CCCCCCOCC(C)CCC 7a_100000766912_100011216630 [0,2,0,0,0,0|1,0,1]=4 15492 B13R0.2 C#CCCCCCOC[C@@H](N)CCC 34a_100000732646_100012094781 [0,2,0,0,0,0|1,0,1]=4 15493 B13R0.2 C#CCCCCCSCC(C)CCC 62a_100011216630_100012094781 [0,2,0,0,0,0|1,0,1]=4 15494 B13R0.2 C#CCCCCCSCC(C)CCC 62a_100012094781_100011216630 [0,2,0,0,0,0|1,0,1]=4 15495 B13R0.2 C#CCCCCOCCC(C)CCC 34a_100011217855_100010269958 [0,2,0,0,0,0|1,0,1]=4 15496 B13R0.2 C#CCCCCOCCC(C)CCC 7a_100011217855_100010269958 [0,2,0,0,0,0|1,0,1]=4 15497 B13R0.2 C#CCCCCOCC[C@@H](N)CCC 34a_100015193777_100010269958 [0,2,0,0,0,0|1,0,1]=4 15498 B13R0.2 C#CCCCOCCCC(C)CCC 34a_100011713154_100000695029 [0,2,0,0,0,0|1,0,1]=4 15499 B13R0.2 C#CCCCOCCCC(C)CCC 7a_100011713154_100011215417 [0,2,0,0,0,0|1,0,1]=4 15500 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000225692_100011214924 [0,2,0,0,0,0|1,0,1]=4 15501 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000232482_100000038162 [0,2,0,0,0,0|1,0,1]=4 15502 B13R0.2 C#CCN(C)CCCCCCCCC 34a_100000225692_100011214924 [0,2,0,0,0,0|1,0,1]=4 15503 B13R0.2 C#CCN(C)CCCCCCCCO 2230a_100000225692_100000033203 [0,2,0,0,0,0|0,0,2]=4 15504 B13R0.2 C#CCN(C)CCCCCCCCO 34a_100000225692_100000033203 [0,2,0,0,0,0|0,0,2]=4 15505 B13R0.2 C/C=C/C(C)OCCCCCCCO 34a_200102604097_100000760002 [0,2,0,0,0,0|0,0,2]=4 15506 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,1]=4 15507 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,1]=4 15508 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|0,0,2]=4 15509 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [0,2,0,0,0,0|1,0,1]=4 15510 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [0,2,0,0,0,0|1,0,1]=4 15511 B13R0.2 C=CCC(C)COCCCCCCO 34a_100009832082_100000766143 [0,2,0,0,0,0|0,0,2]=4 15512 B13R0.2 C=CCC(C)COCCCCCCO 7a_100009832082_100000766143 [0,2,0,0,0,0|0,0,2]=4 15513 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|1,0,1]=4 15514 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|1,0,1]=4 15515 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|0,0,2]=4 15516 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|0,0,2]=4 15517 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [0,2,0,0,0,0|1,0,1]=4 15518 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [0,2,0,0,0,0|1,0,1]=4 15519 B13R0.2 C=CCCCCCCCN(C)CCO 2230a_100000210263_100012355270 [0,2,0,0,0,0|0,0,2]=4 15520 B13R0.2 C=CCCCCCCCN(C)CCO 269982a_100000210263_100012355270 [0,2,0,0,0,0|0,0,2]=4 15521 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [0,2,0,0,0,0|1,0,1]=4 15522 B13R0.2 C=CCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215473 [0,2,0,0,0,0|0,0,2]=4 15523 B13R0.2 C=CCCCCCCN[C@H](C)CCO 34a_100000706166_100011215473 [0,2,0,0,0,0|0,0,2]=4 15524 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [0,2,0,0,0,0|1,0,1]=4 15525 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [0,2,0,0,0,0|1,0,1]=4 15526 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [0,2,0,0,0,0|1,0,1]=4 15527 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [0,2,0,0,0,0|1,0,1]=4 15528 B13R0.2 C=CCCCCCCOC(C)CCO 34a_200011216477_100009893172 [0,2,0,0,0,0|0,0,2]=4 15529 B13R0.2 C=CCCCCCCOC(C)CCO 7a_200011216477_100009893172 [0,2,0,0,0,0|0,0,2]=4 15530 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100000766640_100011215473 [0,2,0,0,0,0|1,0,1]=4 15531 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100011215473_100000766640 [0,2,0,0,0,0|1,0,1]=4 15532 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100009893172_100011215473 [0,2,0,0,0,0|0,0,2]=4 15533 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100011215473_100009893172 [0,2,0,0,0,0|0,0,2]=4 15534 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [0,2,0,0,0,0|1,0,1]=4 15535 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [0,2,0,0,0,0|1,0,1]=4 15536 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [0,2,0,0,0,0|1,0,1]=4 15537 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [0,2,0,0,0,0|1,0,1]=4 15538 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [0,2,0,0,0,0|1,0,1]=4 15539 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [0,2,0,0,0,0|1,0,1]=4 15540 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [0,2,0,0,0,0|1,0,1]=4 15541 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [0,2,0,0,0,0|1,0,1]=4 15542 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [0,2,0,0,0,0|1,0,1]=4 15543 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [0,2,0,0,0,0|1,0,1]=4 15544 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [0,2,0,0,0,0|1,0,1]=4 15545 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [0,2,0,0,0,0|1,0,1]=4 15546 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [0,2,0,0,0,0|1,0,1]=4 15547 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [0,2,0,0,0,0|1,0,1]=4 15548 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [0,2,0,0,0,0|1,0,1]=4 15549 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [0,2,0,0,0,0|1,0,1]=4 15550 B13R0.2 C=CCN(C)CCCCCCCCO 2230a_100000225617_100000033203 [0,2,0,0,0,0|0,0,2]=4 15551 B13R0.2 C=CCN(C)CCCCCCCCO 269982a_100000225617_100000033203 [0,2,0,0,0,0|0,0,2]=4 15552 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,2,0,0,0,0|1,0,1]=4 15553 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,2,0,0,0,0|1,0,1]=4 15554 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 34a_100000731007_100000760002 [0,2,0,0,0,0|0,0,2]=4 15555 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 7a_100000731007_100000760002 [0,2,0,0,0,0|0,0,2]=4 15556 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [0,2,0,0,0,0|1,0,1]=4 15557 B13R0.2 C=CC[C@@H](N)COCCCCCCO 34a_100020615467_100000766143 [0,2,0,0,0,0|0,0,2]=4 15558 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,2,0,0,0,0|0,0,2]=4 15559 B13R0.2 CC#CC(C)OCCCCCCCO 34a_100011216543_100000760002 [0,2,0,0,0,0|0,0,2]=4 15560 B13R0.2 CC(CC#N)NCCCCCCCO 2230a_100011996573_100009813641 [0,2,0,0,0,0|1,0,1]=4 15561 B13R0.2 CC(CC#N)SCCCCCCCO 62a_100000760002_100009813641 [0,2,0,0,0,0|1,0,1]=4 15562 B13R0.2 CC(CC#N)SCCCCCCCO 62a_100009813641_100000760002 [0,2,0,0,0,0|1,0,1]=4 15563 B13R0.2 CC(CCBr)OCCCCCCCO 34a_100012276601_100000760002 [0,2,0,0,0,0|1,0,0]=3 15564 B13R0.2 CC(CCN)COCCCCCCF 34a_106354213184_100015922095 [0,2,0,0,0,0|2,0,0]=4 15565 B13R0.2 CC(CCN)COCCCCCCO 34a_106354213184_100000766143 [0,2,0,0,0,0|1,0,0]=3 15566 B13R0.2 CC(CCO)NCCCCCCCO 2230a_100011996573_100009893172 [0,2,0,0,0,0|1,0,0]=3 15567 B13R0.2 CC(CCO)NCCCCCCCO 34a_100011996573_100009893172 [0,2,0,0,0,0|1,0,0]=3 15568 B13R0.2 CC(CCO)NCCCOCCCO 2230a_100011310245_100009893172 [0,2,0,0,0,0|2,0,0]=4 15569 B13R0.2 CC(CCO)NCCCOCCCO 34a_100011310245_100009893172 [0,2,0,0,0,0|2,0,0]=4 15570 B13R0.2 CC(CCO)OCCCCCCCBr 34a_100000760002_100009893172 [0,2,0,0,0,0|1,0,0]=3 15571 B13R0.2 CC(CCO)OCCCCCCCBr 7a_100000760002_100009893172 [0,2,0,0,0,0|1,0,0]=3 15572 B13R0.2 CC(CCO)OCCCCCCCN 34a_100011996573_100009893172 [0,2,0,0,0,0|1,0,0]=3 15573 B13R0.2 CC(CCO)OCCCOCCCN 34a_100011310245_100009893172 [0,2,0,0,0,0|2,0,0]=4 15574 B13R0.2 CC(CCO)SCCCCCCC#N 62a_100009813337_100009893172 [0,2,0,0,0,0|1,0,1]=4 15575 B13R0.2 CC(CCO)SCCCCCCC#N 62a_100009893172_100009813337 [0,2,0,0,0,0|1,0,1]=4 15576 B13R0.2 CC(CCO)SCCCCCCCO 62a_100000760002_100009893172 [0,2,0,0,0,0|1,0,0]=3 15577 B13R0.2 CC(CCO)SCCCCCCCO 62a_100009893172_100000760002 [0,2,0,0,0,0|1,0,0]=3 15578 B13R0.2 CC/C=C\CCCCOC(C)CCO 34a_100016287862_100009893172 [0,2,0,0,0,0|0,0,2]=4 15579 B13R0.2 CC/C=C\CCCCOC(C)CCO 7a_100016287862_100009893172 [0,2,0,0,0,0|0,0,2]=4 15580 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|0,0,2]=4 15581 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|0,0,0]=2 15582 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100000211992_100000032323 [0,2,0,0,0,0|1,0,1]=4 15583 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100009915118_100000210303 [0,2,0,0,0,0|1,0,1]=4 15584 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,2,0,0,0,0|0,0,1]=3 15585 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,2,0,0,0,0|1,0,1]=4 15586 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,2,0,0,0,0|1,0,1]=4 15587 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,2,0,0,0,0|1,0,1]=4 15588 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,2,0,0,0,0|1,0,1]=4 15589 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,2,0,0,0,0|1,0,1]=4 15590 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,2,0,0,0,0|1,0,1]=4 15591 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,2,0,0,0,0|0,0,1]=3 15592 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,2,0,0,0,0|0,0,1]=3 15593 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,2,0,0,0,0|0,0,1]=3 15594 B13R0.2 CCCC(=O)NCCCOCCCO 240690a_100011310245_100000211992 [0,2,0,0,0,0|1,0,1]=4 15595 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,2,0,0,0,0|1,0,1]=4 15596 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,2,0,0,0,0|1,0,1]=4 15597 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,2,0,0,0,0|1,0,1]=4 15598 B13R0.2 CCCC(C)CCCOCC#CCO 34a_100011713154_200000047223 [0,2,0,0,0,0|0,0,2]=4 15599 B13R0.2 CCCC(C)CCCOCC#CCO 7a_100011713154_200000047223 [0,2,0,0,0,0|0,0,2]=4 15600 B13R0.2 CCCC(C)CCCOCCCC#N 7a_100011713154_100000687738 [0,2,0,0,0,0|1,0,1]=4 15601 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [0,2,0,0,0,0|0,0,2]=4 15602 B13R0.2 CCCC(C)CCCOCCCCF 34a_100011713154_100000729493 [0,2,0,0,0,0|1,0,0]=3 15603 B13R0.2 CCCC(C)CCCOCCCCF 7a_100011713154_100000729493 [0,2,0,0,0,0|1,0,0]=3 15604 B13R0.2 CCCC(C)CCCOCCCCO 34a_100011713154_100011216708 [0,2,0,0,0,0|0,0,0]=2 15605 B13R0.2 CCCC(C)CCCOCCCCO 7a_100011713154_100000210776 [0,2,0,0,0,0|0,0,0]=2 15606 B13R0.2 CCCC(C)CCCOCCCOC 34a_100011713154_100000740836 [0,2,0,0,0,0|1,0,0]=3 15607 B13R0.2 CCCC(C)CCCOCCCOC 7a_100011713154_100000740836 [0,2,0,0,0,0|1,0,0]=3 15608 B13R0.2 CCCC(C)CCCOCCOCC 34a_100011713154_100000210147 [0,2,0,0,0,0|2,0,0]=4 15609 B13R0.2 CCCC(C)CCCOCCOCC 7a_100011713154_100011215890 [0,2,0,0,0,0|2,0,0]=4 15610 B13R0.2 CCCC(C)CCCOCCSCC 34a_100011713154_100000757381 [0,2,0,0,0,0|2,0,0]=4 15611 B13R0.2 CCCC(C)CCCOCCSCC 7a_100011713154_100000757381 [0,2,0,0,0,0|2,0,0]=4 15612 B13R0.2 CCCC(C)CCOCCCCC#N 7a_100011217855_100000211819 [0,2,0,0,0,0|1,0,1]=4 15613 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [0,2,0,0,0,0|0,0,2]=4 15614 B13R0.2 CCCC(C)CCOCCCCCF 34a_100011217855_100000729378 [0,2,0,0,0,0|1,0,0]=3 15615 B13R0.2 CCCC(C)CCOCCCCCF 7a_100011217855_100000729378 [0,2,0,0,0,0|1,0,0]=3 15616 B13R0.2 CCCC(C)CCOCCCCCO 34a_100011217855_100000746330 [0,2,0,0,0,0|0,0,0]=2 15617 B13R0.2 CCCC(C)CCOCCCCCO 7a_100011217855_100000746330 [0,2,0,0,0,0|0,0,0]=2 15618 B13R0.2 CCCC(C)CCOCCCCOC 34a_100011217855_100000755781 [0,2,0,0,0,0|1,0,0]=3 15619 B13R0.2 CCCC(C)CCOCCCCOC 7a_100011217855_100000730899 [0,2,0,0,0,0|1,0,0]=3 15620 B13R0.2 CCCC(C)CCOCCCOCC 34a_100011217855_100012232248 [0,2,0,0,0,0|2,0,0]=4 15621 B13R0.2 CCCC(C)CCOCCCOCC 7a_100011217855_100012232248 [0,2,0,0,0,0|2,0,0]=4 15622 B13R0.2 CCCC(C)CCOCCOCCO 34a_100011217855_100000692535 [0,2,0,0,0,0|1,0,0]=3 15623 B13R0.2 CCCC(C)CCOCCOCCO 7a_100011217855_100011215305 [0,2,0,0,0,0|1,0,0]=3 15624 B13R0.2 CCCC(C)CNCCCCCC#N 270004a_100000061152_100000243154 [0,2,0,0,0,0|1,0,1]=4 15625 B13R0.2 CCCC(C)CNCCCCCCO 2230a_100000686447_100011216630 [0,2,0,0,0,0|0,0,0]=2 15626 B13R0.2 CCCC(C)CNCCCCCCO 270004a_100000686447_100000243154 [0,2,0,0,0,0|0,0,0]=2 15627 B13R0.2 CCCC(C)CNCCCCCCO 34a_100000686447_100011216630 [0,2,0,0,0,0|0,0,0]=2 15628 B13R0.2 CCCC(C)CNCCCCCOC 2230a_100000747528_100011216630 [0,2,0,0,0,0|1,0,0]=3 15629 B13R0.2 CCCC(C)CNCCCCCOC 270004a_100000747528_100000243154 [0,2,0,0,0,0|1,0,0]=3 15630 B13R0.2 CCCC(C)CNCCCCCOC 34a_100000747528_100011216630 [0,2,0,0,0,0|1,0,0]=3 15631 B13R0.2 CCCC(C)CNCCOCCOC 2230a_100000745349_100011216630 [0,2,0,0,0,0|2,0,0]=4 15632 B13R0.2 CCCC(C)CNCCOCCOC 270004a_100000745349_100000243154 [0,2,0,0,0,0|2,0,0]=4 15633 B13R0.2 CCCC(C)CNCCOCCOC 34a_100000745349_100011216630 [0,2,0,0,0,0|2,0,0]=4 15634 B13R0.2 CCCC(C)COCCCCCC#N 7a_100000688023_100009813376 [0,2,0,0,0,0|1,0,1]=4 15635 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [0,2,0,0,0,0|0,0,2]=4 15636 B13R0.2 CCCC(C)COCCCCCCBr 34a_100011215345_100011216630 [0,2,0,0,0,0|1,0,0]=3 15637 B13R0.2 CCCC(C)COCCCCCCBr 7a_100011215345_100011216630 [0,2,0,0,0,0|1,0,0]=3 15638 B13R0.2 CCCC(C)COCCCCCCCl 34a_100000766143_100011216630 [0,2,0,0,0,0|1,0,0]=3 15639 B13R0.2 CCCC(C)COCCCCCCCl 7a_100000766143_100011216630 [0,2,0,0,0,0|1,0,0]=3 15640 B13R0.2 CCCC(C)COCCCCCCF 34a_100000688023_100015922095 [0,2,0,0,0,0|1,0,0]=3 15641 B13R0.2 CCCC(C)COCCCCCCF 34a_100000732779_100011216630 [0,2,0,0,0,0|1,0,0]=3 15642 B13R0.2 CCCC(C)COCCCCCCF 7a_100000688023_100015922095 [0,2,0,0,0,0|1,0,0]=3 15643 B13R0.2 CCCC(C)COCCCCCCF 7a_100000732779_100011216630 [0,2,0,0,0,0|1,0,0]=3 15644 B13R0.2 CCCC(C)COCCCCCCN 34a_100000686447_100011216630 [0,2,0,0,0,0|1,0,0]=3 15645 B13R0.2 CCCC(C)COCCCCCCO 34a_100000688023_100000766143 [0,2,0,0,0,0|0,0,0]=2 15646 B13R0.2 CCCC(C)COCCCCCCO 7a_100000688023_100000766143 [0,2,0,0,0,0|0,0,0]=2 15647 B13R0.2 CCCC(C)COCCCCCNC 34a_100000722520_100011216630 [0,2,0,0,0,0|2,0,0]=4 15648 B13R0.2 CCCC(C)COCCOCCOC 34a_100000688023_100000695917 [0,2,0,0,0,0|2,0,0]=4 15649 B13R0.2 CCCC(C)COCCOCCOC 34a_100011215163_100011216630 [0,2,0,0,0,0|2,0,0]=4 15650 B13R0.2 CCCC(C)COCCOCCOC 7a_100000688023_100000695917 [0,2,0,0,0,0|2,0,0]=4 15651 B13R0.2 CCCC(C)COCCOCCOC 7a_100011215163_100011216630 [0,2,0,0,0,0|2,0,0]=4 15652 B13R0.2 CCCC(C)CSCCCCCC#N 62a_100009813376_100011216630 [0,2,0,0,0,0|1,0,1]=4 15653 B13R0.2 CCCC(C)CSCCCCCC#N 62a_100011216630_100009813376 [0,2,0,0,0,0|1,0,1]=4 15654 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [0,2,0,0,0,0|0,0,2]=4 15655 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [0,2,0,0,0,0|0,0,2]=4 15656 B13R0.2 CCCC(C)CSCCCCCCF 62a_100011216630_100015922095 [0,2,0,0,0,0|1,0,0]=3 15657 B13R0.2 CCCC(C)CSCCCCCCF 62a_100015922095_100011216630 [0,2,0,0,0,0|1,0,0]=3 15658 B13R0.2 CCCC(C)CSCCCCCCO 62a_100000766143_100011216630 [0,2,0,0,0,0|0,0,0]=2 15659 B13R0.2 CCCC(C)CSCCCCCCO 62a_100011216630_100000766143 [0,2,0,0,0,0|0,0,0]=2 15660 B13R0.2 CCCC(C)CSCCOCCOC 62a_100000695917_100011216630 [0,2,0,0,0,0|2,0,0]=4 15661 B13R0.2 CCCC(C)CSCCOCCOC 62a_100011216630_100000695917 [0,2,0,0,0,0|2,0,0]=4 15662 B13R0.2 CCCC(C)NCCCCCCC#N 2230a_100000741246_100009813337 [0,2,0,0,0,0|1,0,1]=4 15663 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [0,2,0,0,0,0|0,0,0]=2 15664 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [0,2,0,0,0,0|0,0,0]=2 15665 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [0,2,0,0,0,0|0,0,0]=2 15666 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [0,2,0,0,0,0|0,0,0]=2 15667 B13R0.2 CCCC(C)NCCCCCCOC 2230a_100000741246_100011998445 [0,2,0,0,0,0|1,0,0]=3 15668 B13R0.2 CCCC(C)NCCCOCCCO 2230a_100011310245_100000766640 [0,2,0,0,0,0|1,0,0]=3 15669 B13R0.2 CCCC(C)NCCCOCCCO 270004a_100011310245_100000211909 [0,2,0,0,0,0|1,0,0]=3 15670 B13R0.2 CCCC(C)NCCCOCCCO 34a_100011310245_100000766640 [0,2,0,0,0,0|1,0,0]=3 15671 B13R0.2 CCCC(C)NCCCOCCOC 2230a_100000206027_100000766640 [0,2,0,0,0,0|2,0,0]=4 15672 B13R0.2 CCCC(C)NCCCOCCOC 2230a_100000741246_100011216529 [0,2,0,0,0,0|2,0,0]=4 15673 B13R0.2 CCCC(C)NCCCOCCOC 270004a_100000206027_100000211909 [0,2,0,0,0,0|2,0,0]=4 15674 B13R0.2 CCCC(C)NCCCOCCOC 34a_100000206027_100000766640 [0,2,0,0,0,0|2,0,0]=4 15675 B13R0.2 CCCC(C)OCCCCCCC#N 7a_100000764384_100009813337 [0,2,0,0,0,0|1,0,1]=4 15676 B13R0.2 CCCC(C)OCCCCCCCBr 34a_100000760002_100000766640 [0,2,0,0,0,0|1,0,0]=3 15677 B13R0.2 CCCC(C)OCCCCCCCBr 7a_100000760002_100000766640 [0,2,0,0,0,0|1,0,0]=3 15678 B13R0.2 CCCC(C)OCCCCCCCN 34a_100011996573_100000766640 [0,2,0,0,0,0|1,0,0]=3 15679 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,2,0,0,0,0|0,0,0]=2 15680 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,2,0,0,0,0|0,0,0]=2 15681 B13R0.2 CCCC(C)OCCCCCCOC 34a_100000764384_100011998445 [0,2,0,0,0,0|1,0,0]=3 15682 B13R0.2 CCCC(C)OCCCCCCOC 34a_200012092642_100000766640 [0,2,0,0,0,0|1,0,0]=3 15683 B13R0.2 CCCC(C)OCCCCCCOC 7a_100000764384_100011998445 [0,2,0,0,0,0|1,0,0]=3 15684 B13R0.2 CCCC(C)OCCCCCCOC 7a_200012092642_100000766640 [0,2,0,0,0,0|1,0,0]=3 15685 B13R0.2 CCCC(C)OCCCOCCCN 34a_100011310245_100000766640 [0,2,0,0,0,0|2,0,0]=4 15686 B13R0.2 CCCC(C)OCCCOCCOC 34a_100000764384_100011216529 [0,2,0,0,0,0|2,0,0]=4 15687 B13R0.2 CCCC(C)OCCCOCCOC 7a_100000764384_100011216529 [0,2,0,0,0,0|2,0,0]=4 15688 B13R0.2 CCCC(C)SCCCCCCC#N 62a_100000766640_100009813337 [0,2,0,0,0,0|1,0,1]=4 15689 B13R0.2 CCCC(C)SCCCCCCC#N 62a_100009813337_100000766640 [0,2,0,0,0,0|1,0,1]=4 15690 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [0,2,0,0,0,0|0,0,0]=2 15691 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [0,2,0,0,0,0|0,0,0]=2 15692 B13R0.2 CCCC(C)SCCCCCCOC 62a_100000766640_100011998445 [0,2,0,0,0,0|1,0,0]=3 15693 B13R0.2 CCCC(C)SCCCCCCOC 62a_100011998445_100000766640 [0,2,0,0,0,0|1,0,0]=3 15694 B13R0.2 CCCC(C)SCCCOCCOC 62a_100000766640_100011216529 [0,2,0,0,0,0|2,0,0]=4 15695 B13R0.2 CCCC(C)SCCCOCCOC 62a_100011216529_100000766640 [0,2,0,0,0,0|2,0,0]=4 15696 B13R0.2 CCCC/C=C\CCOC(C)CCO 34a_200016286491_100009893172 [0,2,0,0,0,0|0,0,2]=4 15697 B13R0.2 CCCC/C=C\CCOC(C)CCO 7a_200016286491_100009893172 [0,2,0,0,0,0|0,0,2]=4 15698 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,2,0,0,0,0|0,0,2]=4 15699 B13R0.2 CCCCC#CCCCN(C)CCO 2230a_100000210263_200000047210 [0,2,0,0,0,0|0,0,2]=4 15700 B13R0.2 CCCCC#CCCCN(C)CCO 269982a_100000210263_200000047210 [0,2,0,0,0,0|0,0,2]=4 15701 B13R0.2 CCCCC#CCCOC(C)CCO 34a_100000037610_100009893172 [0,2,0,0,0,0|0,0,2]=4 15702 B13R0.2 CCCCC#CCCOC(C)CCO 7a_100000037610_100009893172 [0,2,0,0,0,0|0,0,2]=4 15703 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|0,0,2]=4 15704 B13R0.2 CCCCC/C=C/COC(C)CCO 34a_100016258190_100009893172 [0,2,0,0,0,0|0,0,2]=4 15705 B13R0.2 CCCCC/C=C/COC(C)CCO 7a_100016258190_100009893172 [0,2,0,0,0,0|0,0,2]=4 15706 B13R0.2 CCCCCC#CCN[C@H](C)CCO 2230a_100000706166_100009816472 [0,2,0,0,0,0|0,0,2]=4 15707 B13R0.2 CCCCCC#CCN[C@H](C)CCO 34a_100000706166_100009816472 [0,2,0,0,0,0|0,0,2]=4 15708 B13R0.2 CCCCCC#CCOC(C)CCO 34a_200000033628_100009893172 [0,2,0,0,0,0|0,0,2]=4 15709 B13R0.2 CCCCCC#CCOC(C)CCO 7a_200000033628_100009893172 [0,2,0,0,0,0|0,0,2]=4 15710 B13R0.2 CCCCCC#CCSC(C)CCO 62a_100009816472_100009893172 [0,2,0,0,0,0|0,0,2]=4 15711 B13R0.2 CCCCCC#CCSC(C)CCO 62a_100009893172_100009816472 [0,2,0,0,0,0|0,0,2]=4 15712 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|0,0,2]=4 15713 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|0,0,2]=4 15714 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,2,0,0,0,0|1,0,1]=4 15715 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,2,0,0,0,0|1,0,1]=4 15716 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|1,0,0]=3 15717 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|1,0,0]=3 15718 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|1,0,0]=3 15719 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,0]=2 15720 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,0]=2 15721 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,1]=3 15722 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|0,1,1]=4 15723 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,2,0,0,0,0|1,0,1]=4 15724 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,2,0,0,0,0|1,0,1]=4 15725 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,2,0,0,0,0|1,0,1]=4 15726 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [0,2,0,0,0,0|1,0,0]=3 15727 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,2,0,0,0,0|1,0,0]=3 15728 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,2,0,0,0,0|1,0,0]=3 15729 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,2,0,0,0,0|1,0,0]=3 15730 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,2,0,0,0,0|1,0,0]=3 15731 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,2,0,0,0,0|1,0,0]=3 15732 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000232482_100011215382 [0,2,0,0,0,0|1,0,1]=4 15733 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000748184_100011214924 [0,2,0,0,0,0|1,0,1]=4 15734 B13R0.2 CCCCCCCCCN(C)CC#N 269982a_100000232482_100011214920 [0,2,0,0,0,0|1,0,1]=4 15735 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,2,0,0,0,0|0,0,2]=4 15736 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,2,0,0,0,0|0,0,2]=4 15737 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,2,0,0,0,0|1,0,0]=3 15738 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,2,0,0,0,0|1,0,0]=3 15739 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,2,0,0,0,0|1,0,0]=3 15740 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,2,0,0,0,0|1,0,0]=3 15741 B13R0.2 CCCCCCCCCN(C)CCF 2230a_100000232482_100011217306 [0,2,0,0,0,0|1,0,0]=3 15742 B13R0.2 CCCCCCCCCN(C)CCF 269982a_100000232482_100011217306 [0,2,0,0,0,0|1,0,0]=3 15743 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,2,0,0,0,0|0,0,0]=2 15744 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,2,0,0,0,0|0,0,0]=2 15745 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,2,0,0,0,0|0,0,0]=2 15746 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,2,0,0,0,0|0,0,0]=2 15747 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,2,0,0,0,0|1,0,0]=3 15748 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,2,0,0,0,0|1,0,0]=3 15749 B13R0.2 CCCCCCCCCN(C)CSC 2230a_100000232482_100011218213 [0,2,0,0,0,0|1,1,0]=4 15750 B13R0.2 CCCCCCCCCN(C)CSC 269982a_100000232482_100011218213 [0,2,0,0,0,0|1,1,0]=4 15751 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 15752 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 15753 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 15754 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 15755 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|0,0,1]=3 15756 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 15757 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 15758 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 15759 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|1,0,1]=4 15760 B13R0.2 CCCCCCCCNC(C)CC#N 2230a_100000229939_100009813641 [0,2,0,0,0,0|1,0,1]=4 15761 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [0,2,0,0,0,0|1,0,0]=3 15762 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [0,2,0,0,0,0|1,0,0]=3 15763 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [0,2,0,0,0,0|1,0,0]=3 15764 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [0,2,0,0,0,0|1,0,0]=3 15765 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [0,2,0,0,0,0|0,0,0]=2 15766 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [0,2,0,0,0,0|0,0,0]=2 15767 B13R0.2 CCCCCCCCNC(C)COC 2230a_100000229939_100000765312 [0,2,0,0,0,0|1,0,0]=3 15768 B13R0.2 CCCCCCCCNC(C)COC 270004a_100000229939_100000749346 [0,2,0,0,0,0|1,0,0]=3 15769 B13R0.2 CCCCCCCCNC(C)COC 34a_100000229939_100000765312 [0,2,0,0,0,0|1,0,0]=3 15770 B13R0.2 CCCCCCCCNC(C)CSC 270004a_100000229939_100011216314 [0,2,0,0,0,0|1,1,0]=4 15771 B13R0.2 CCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210759 [0,2,0,0,0,0|1,0,1]=4 15772 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [0,2,0,0,0,0|0,0,0]=2 15773 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [0,2,0,0,0,0|0,0,0]=2 15774 B13R0.2 CCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210759 [0,2,0,0,0,0|1,0,0]=3 15775 B13R0.2 CCCCCCCCOC(C)CC#N 7a_100000210232_100009813641 [0,2,0,0,0,0|1,0,1]=4 15776 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [0,2,0,0,0,0|1,0,0]=3 15777 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,2,0,0,0,0|1,0,0]=3 15778 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,2,0,0,0,0|1,0,0]=3 15779 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,2,0,0,0,0|1,0,0]=3 15780 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,2,0,0,0,0|1,0,0]=3 15781 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,2,0,0,0,0|0,0,0]=2 15782 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,2,0,0,0,0|0,0,0]=2 15783 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,2,0,0,0,0|1,0,0]=3 15784 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,2,0,0,0,0|1,0,0]=3 15785 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,2,0,0,0,0|1,0,0]=3 15786 B13R0.2 CCCCCCCCSC(C)CC#N 62a_100000210759_100009813641 [0,2,0,0,0,0|1,0,1]=4 15787 B13R0.2 CCCCCCCCSC(C)CC#N 62a_100009813641_100000210317 [0,2,0,0,0,0|1,0,1]=4 15788 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000210759_100000766640 [0,2,0,0,0,0|1,0,0]=3 15789 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000766640_100000210317 [0,2,0,0,0,0|1,0,0]=3 15790 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [0,2,0,0,0,0|0,0,0]=2 15791 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [0,2,0,0,0,0|0,0,0]=2 15792 B13R0.2 CCCCCCCCSC(C)COC 62a_100000210759_100000765312 [0,2,0,0,0,0|1,0,0]=3 15793 B13R0.2 CCCCCCCCSC(C)COC 62a_100000765312_100000210317 [0,2,0,0,0,0|1,0,0]=3 15794 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,2,0,0,0,0|1,0,1]=4 15795 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|1,0,1]=4 15796 B13R0.2 CCCCCCCNCC(C)CCC 2230a_100000229938_100011216630 [0,2,0,0,0,0|1,0,0]=3 15797 B13R0.2 CCCCCCCNCC(C)CCC 270004a_100000229938_100000243154 [0,2,0,0,0,0|1,0,0]=3 15798 B13R0.2 CCCCCCCNCC(O)COC 2230a_100000756049_100000210681 [0,2,0,0,0,0|1,0,0]=3 15799 B13R0.2 CCCCCCCNCC(O)COC 34a_100000756049_100000210614 [0,2,0,0,0,0|1,0,0]=3 15800 B13R0.2 CCCCCCCNC[C@@H](O)CC#N 2230a_100000229938_100000001066 [0,2,0,0,0,0|1,0,1]=4 15801 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|1,0,1]=4 15802 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|1,0,1]=4 15803 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|1,0,1]=4 15804 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [0,2,0,0,0,0|1,0,0]=3 15805 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [0,2,0,0,0,0|1,0,0]=3 15806 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [0,2,0,0,0,0|1,0,0]=3 15807 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [0,2,0,0,0,0|1,0,0]=3 15808 B13R0.2 CCCCCCCOCC(C)CCN 34a_106354213184_100000210614 [0,2,0,0,0,0|1,0,0]=3 15809 B13R0.2 CCCCCCCOCC(N)COC 34a_100000724102_100000210614 [0,2,0,0,0,0|1,0,0]=3 15810 B13R0.2 CCCCCCCOCC(O)COC 34a_100000210272_100011215053 [0,2,0,0,0,0|1,0,0]=3 15811 B13R0.2 CCCCCCCOCC(O)COC 7a_100000210272_100011215053 [0,2,0,0,0,0|1,0,0]=3 15812 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [0,2,0,0,0,0|1,0,0]=3 15813 B13R0.2 CCCCCCCOC[C@@H](O)CC#N 7a_100000210272_100000001066 [0,2,0,0,0,0|1,0,1]=4 15814 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,2,0,0,0,0|1,0,1]=4 15815 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,2,0,0,0,0|1,0,1]=4 15816 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|1,0,1]=4 15817 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|1,0,1]=4 15818 B13R0.2 CCCCCCCSCC(C)CCC 62a_100000210614_100011216630 [0,2,0,0,0,0|1,0,0]=3 15819 B13R0.2 CCCCCCCSCC(C)CCC 62a_100011216630_100000210316 [0,2,0,0,0,0|1,0,0]=3 15820 B13R0.2 CCCCCCCSCC(O)COC 62a_100000210614_100011215053 [0,2,0,0,0,0|1,0,0]=3 15821 B13R0.2 CCCCCCCSCC(O)COC 62a_100011215053_100000210316 [0,2,0,0,0,0|1,0,0]=3 15822 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210316 [0,2,0,0,0,0|1,0,1]=4 15823 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000210614_100000001066 [0,2,0,0,0,0|1,0,1]=4 15824 B13R0.2 CCCCCCOCCC(C)CCC 34a_100011217855_100000210314 [0,2,0,0,0,0|1,0,0]=3 15825 B13R0.2 CCCCCCOCCC(C)CCC 7a_100011217855_100000210314 [0,2,0,0,0,0|1,0,0]=3 15826 B13R0.2 CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210314 [0,2,0,0,0,0|1,0,0]=3 15827 B13R0.2 CCCCCNCCOC(C)CCC 34a_100000224656_100000766640 [0,2,0,0,0,0|2,0,0]=4 15828 B13R0.2 CCCCCNCCOC(C)CCO 34a_100000224656_100009893172 [0,2,0,0,0,0|1,0,0]=3 15829 B13R0.2 CCCCCNCCOC(C)COC 34a_100000224656_100000765312 [0,2,0,0,0,0|2,0,0]=4 15830 B13R0.2 CCCCCOCCCC(C)CCC 34a_100011713154_100000718602 [0,2,0,0,0,0|1,0,0]=3 15831 B13R0.2 CCCCCOCCCC(C)CCC 7a_100011713154_100000210326 [0,2,0,0,0,0|1,0,0]=3 15832 B13R0.2 CCCCCOCCOC(C)CCC 34a_100011215259_100000766640 [0,2,0,0,0,0|2,0,0]=4 15833 B13R0.2 CCCCCOCCOC(C)CCC 7a_100011215259_100000766640 [0,2,0,0,0,0|2,0,0]=4 15834 B13R0.2 CCCCCOCCOC(C)CCO 34a_100011215259_100009893172 [0,2,0,0,0,0|1,0,0]=3 15835 B13R0.2 CCCCCOCCOC(C)CCO 7a_100011215259_100009893172 [0,2,0,0,0,0|1,0,0]=3 15836 B13R0.2 CCCCCOCCOC(C)COC 34a_100011215259_100000765312 [0,2,0,0,0,0|2,0,0]=4 15837 B13R0.2 CCCCCOCCOC(C)COC 7a_100011215259_100000765312 [0,2,0,0,0,0|2,0,0]=4 15838 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,2,0,0,0,0|1,0,1]=4 15839 B13R0.2 CCCCOCCCNC(C)CCC 2230a_200000211371_100000766640 [0,2,0,0,0,0|2,0,0]=4 15840 B13R0.2 CCCCOCCCNC(C)CCC 270004a_200000211371_100000211909 [0,2,0,0,0,0|2,0,0]=4 15841 B13R0.2 CCCCOCCCNC(C)CCC 34a_200000211371_100000766640 [0,2,0,0,0,0|2,0,0]=4 15842 B13R0.2 CCCCOCCCNC(C)CCO 2230a_200000211371_100009893172 [0,2,0,0,0,0|1,0,0]=3 15843 B13R0.2 CCCCOCCCNC(C)CCO 34a_200000211371_100009893172 [0,2,0,0,0,0|1,0,0]=3 15844 B13R0.2 CCCCOCCCNC(C)COC 2230a_200000211371_100000765312 [0,2,0,0,0,0|2,0,0]=4 15845 B13R0.2 CCCCOCCCNC(C)COC 270004a_200000211371_100000749346 [0,2,0,0,0,0|2,0,0]=4 15846 B13R0.2 CCCCOCCCNC(C)COC 34a_200000211371_100000765312 [0,2,0,0,0,0|2,0,0]=4 15847 B13R0.2 CCCCOCCCOC(C)CCC 34a_200011215613_100000766640 [0,2,0,0,0,0|2,0,0]=4 15848 B13R0.2 CCCCOCCCOC(C)CCC 7a_200011215613_100000766640 [0,2,0,0,0,0|2,0,0]=4 15849 B13R0.2 CCCCOCCCOC(C)CCO 34a_200011215613_100009893172 [0,2,0,0,0,0|1,0,0]=3 15850 B13R0.2 CCCCOCCCOC(C)CCO 7a_200011215613_100009893172 [0,2,0,0,0,0|1,0,0]=3 15851 B13R0.2 CCCCOCCCOC(C)COC 34a_200011215613_100000765312 [0,2,0,0,0,0|2,0,0]=4 15852 B13R0.2 CCCCOCCCOC(C)COC 7a_200011215613_100000765312 [0,2,0,0,0,0|2,0,0]=4 15853 B13R0.2 CCCCOCCNCC(O)COC 2230a_100000756049_100000743108 [0,2,0,0,0,0|2,0,0]=4 15854 B13R0.2 CCCCOCCNCC(O)COC 34a_100000756049_100000743108 [0,2,0,0,0,0|2,0,0]=4 15855 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,2,0,0,0,0|1,0,1]=4 15856 B13R0.2 CCCCOCCOCC(C)CCC 34a_100000210238_100011216630 [0,2,0,0,0,0|2,0,0]=4 15857 B13R0.2 CCCCOCCOCC(C)CCC 34a_100000688023_100000743108 [0,2,0,0,0,0|2,0,0]=4 15858 B13R0.2 CCCCOCCOCC(C)CCC 7a_100000210238_100011216630 [0,2,0,0,0,0|2,0,0]=4 15859 B13R0.2 CCCCOCCOCC(C)CCC 7a_100000688023_100000743108 [0,2,0,0,0,0|2,0,0]=4 15860 B13R0.2 CCCCOCCOCC(C)CCN 34a_106354213184_100000743108 [0,2,0,0,0,0|2,0,0]=4 15861 B13R0.2 CCCCOCCOCC(N)COC 34a_100000724102_100000743108 [0,2,0,0,0,0|2,0,0]=4 15862 B13R0.2 CCCCOCCOCC(O)COC 34a_100000210238_100011215053 [0,2,0,0,0,0|2,0,0]=4 15863 B13R0.2 CCCCOCCOCC(O)COC 7a_100000210238_100011215053 [0,2,0,0,0,0|2,0,0]=4 15864 B13R0.2 CCCCOCCOC[C@@H](N)CCC 34a_100000732646_100000743108 [0,2,0,0,0,0|2,0,0]=4 15865 B13R0.2 CCCCOCCSCC(C)CCC 62a_100000743108_100011216630 [0,2,0,0,0,0|2,0,0]=4 15866 B13R0.2 CCCCOCCSCC(C)CCC 62a_100011216630_100000743108 [0,2,0,0,0,0|2,0,0]=4 15867 B13R0.2 CCCCOCCSCC(O)COC 62a_100000743108_100011215053 [0,2,0,0,0,0|2,0,0]=4 15868 B13R0.2 CCCCOCCSCC(O)COC 62a_100011215053_100000743108 [0,2,0,0,0,0|2,0,0]=4 15869 B13R0.2 CCCCOCOCCC(C)CCC 34a_100011217855_100011995733 [0,2,0,0,0,0|2,0,0]=4 15870 B13R0.2 CCCCOCOCC[C@@H](N)CCC 34a_100015193777_100011995733 [0,2,0,0,0,0|2,0,0]=4 15871 B13R0.2 CCCCSCCNCC(C)CCC 2230a_100025743550_100011216630 [0,2,0,0,0,0|2,0,0]=4 15872 B13R0.2 CCCCSCCNCC(C)CCC 270004a_100025743550_100000243154 [0,2,0,0,0,0|2,0,0]=4 15873 B13R0.2 CCCCSCCOCC(C)CCC 34a_200000230436_100011216630 [0,2,0,0,0,0|2,0,0]=4 15874 B13R0.2 CCCCSCCOCC(C)CCC 7a_200000230436_100011216630 [0,2,0,0,0,0|2,0,0]=4 15875 B13R0.2 CCCCSCCOCC(O)COC 34a_200000230436_100011215053 [0,2,0,0,0,0|2,0,0]=4 15876 B13R0.2 CCCCSCCOCC(O)COC 7a_200000230436_100011215053 [0,2,0,0,0,0|2,0,0]=4 15877 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,2,0,0,0,0|0,0,0]=2 15878 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,2,0,0,0,0|0,0,0]=2 15879 B13R0.2 CCCN(C)CCOCCOCCO 2230a_100000747261_100000032323 [0,2,0,0,0,0|2,0,0]=4 15880 B13R0.2 CCCN(C)CCOCCOCCO 2230a_200014138305_100000210303 [0,2,0,0,0,0|2,0,0]=4 15881 B13R0.2 CCCN(C)CCOCCOCCO 269982a_100000747261_100000032323 [0,2,0,0,0,0|2,0,0]=4 15882 B13R0.2 CCCN(C)CCOCCOCCO 269982a_200014138305_100000210303 [0,2,0,0,0,0|2,0,0]=4 15883 B13R0.2 CCCN(C)CCOCCOCCO 34a_200014138305_100000210303 [0,2,0,0,0,0|2,0,0]=4 15884 B13R0.2 CCCOCCCNCC(C)CCC 2230a_100011217757_100011216630 [0,2,0,0,0,0|2,0,0]=4 15885 B13R0.2 CCCOCCCNCC(C)CCC 270004a_100011217757_100000243154 [0,2,0,0,0,0|2,0,0]=4 15886 B13R0.2 CCCOCCCNCC(C)CCC 34a_100011217757_100011216630 [0,2,0,0,0,0|2,0,0]=4 15887 B13R0.2 CCCOCCCNCC(O)COC 34a_100011217757_100011215053 [0,2,0,0,0,0|2,0,0]=4 15888 B13R0.2 CCCOCCOCCC(C)CCC 34a_100011217855_100011215938 [0,2,0,0,0,0|2,0,0]=4 15889 B13R0.2 CCCOCCOCCC(C)CCC 7a_100011217855_100011215938 [0,2,0,0,0,0|2,0,0]=4 15890 B13R0.2 CCCOCCOCC[C@@H](N)CCC 34a_100015193777_100011215938 [0,2,0,0,0,0|2,0,0]=4 15891 B13R0.2 CCC[C@H](N)CCOCCCCCF 34a_100015193777_100000729378 [0,2,0,0,0,0|1,0,0]=3 15892 B13R0.2 CCC[C@H](N)CCOCCCCCO 34a_100015193777_100000746330 [0,2,0,0,0,0|0,0,0]=2 15893 B13R0.2 CCC[C@H](N)CCOCCCCOC 34a_100015193777_100000755781 [0,2,0,0,0,0|1,0,0]=3 15894 B13R0.2 CCC[C@H](N)CCOCCCOCC 34a_100015193777_100012232248 [0,2,0,0,0,0|2,0,0]=4 15895 B13R0.2 CCC[C@H](N)CCOCCOCCO 34a_100015193777_100000692535 [0,2,0,0,0,0|1,0,0]=3 15896 B13R0.2 CCC[C@H](N)COCCCCCCF 34a_100000732646_100015922095 [0,2,0,0,0,0|1,0,0]=3 15897 B13R0.2 CCC[C@H](N)COCCCCCCO 34a_100000732646_100000766143 [0,2,0,0,0,0|0,0,0]=2 15898 B13R0.2 CCC[C@H](N)COCCOCCOC 34a_100000732646_100000695917 [0,2,0,0,0,0|2,0,0]=4 15899 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,2,0,0,0,0|0,0,1]=3 15900 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,2,0,0,0,0|1,0,1]=4 15901 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,2,0,0,0,0|1,0,1]=4 15902 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,2,0,0,0,0|1,0,1]=4 15903 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,2,0,0,0,0|1,0,1]=4 15904 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,2,0,0,0,0|1,0,1]=4 15905 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,2,0,0,0,0|1,0,1]=4 15906 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,2,0,0,0,0|1,0,1]=4 15907 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,2,0,0,0,0|1,0,1]=4 15908 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,2,0,0,0,0|1,0,1]=4 15909 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,2,0,0,0,0|1,0,1]=4 15910 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,2,0,0,0,0|1,0,1]=4 15911 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,2,0,0,0,0|1,0,1]=4 15912 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,2,0,0,0,0|1,0,1]=4 15913 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,2,0,0,0,0|1,0,1]=4 15914 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,2,0,0,0,0|1,0,1]=4 15915 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|1,0,1]=4 15916 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,2,0,0,0,0|1,0,1]=4 15917 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,2,0,0,0,0|1,0,1]=4 15918 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,2,0,0,0,0|1,0,1]=4 15919 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,2,0,0,0,0|1,0,1]=4 15920 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,2,0,0,0,0|1,0,1]=4 15921 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,2,0,0,0,0|1,0,1]=4 15922 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,2,0,0,0,0|1,0,1]=4 15923 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,2,0,0,0,0|1,0,1]=4 15924 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,2,0,0,0,0|1,0,1]=4 15925 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,2,0,0,0,0|1,0,1]=4 15926 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,2,0,0,0,0|1,0,1]=4 15927 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,2,0,0,0,0|1,0,1]=4 15928 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,2,0,0,0,0|1,0,1]=4 15929 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,2,0,0,0,0|1,0,1]=4 15930 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,2,0,0,0,0|1,0,1]=4 15931 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,2,0,0,0,0|1,0,1]=4 15932 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,2,0,0,0,0|1,0,1]=4 15933 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,2,0,0,0,0|1,0,1]=4 15934 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,2,0,0,0,0|1,0,1]=4 15935 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,2,0,0,0,0|1,0,1]=4 15936 B13R0.2 CCOCCOCCNC(C)CCO 2230a_100102712874_100009893172 [0,2,0,0,0,0|2,0,0]=4 15937 B13R0.2 CCOCCOCCNC(C)CCO 34a_100102712874_100009893172 [0,2,0,0,0,0|2,0,0]=4 15938 B13R0.2 CCOCCOCCN[C@H](C)CCO 2230a_100000706166_100011211534 [0,2,0,0,0,0|2,0,0]=4 15939 B13R0.2 CCOCCOCCN[C@H](C)CCO 34a_100000706166_100011211534 [0,2,0,0,0,0|2,0,0]=4 15940 B13R0.2 CCOCCOCCOC(C)CCO 34a_100000210240_100009893172 [0,2,0,0,0,0|2,0,0]=4 15941 B13R0.2 CCOCCOCCOC(C)CCO 7a_100000210240_100009893172 [0,2,0,0,0,0|2,0,0]=4 15942 B13R0.2 CCOCCOCCSC(C)CCO 62a_100009893172_100011211534 [0,2,0,0,0,0|2,0,0]=4 15943 B13R0.2 CCOCCOCCSC(C)CCO 62a_100011211534_100009893172 [0,2,0,0,0,0|2,0,0]=4 15944 B13R0.2 CN(CC#N)CCCCCCCCO 2230a_100000748184_100000033203 [0,2,0,0,0,0|1,0,1]=4 15945 B13R0.2 CN(CCO)CCCCCCCCO 2230a_100000210263_100000033203 [0,2,0,0,0,0|1,0,0]=3 15946 B13R0.2 CN(CCO)CCCCCCCCO 269982a_100000210263_100000033203 [0,2,0,0,0,0|1,0,0]=3 15947 B13R0.2 CNCCCCCOCC(O)COC 34a_100000722520_100011215053 [0,2,0,0,0,0|2,0,0]=4 15948 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,2,0,0,0,0|1,0,1]=4 15949 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|0,0,1]=3 15950 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|1,0,1]=4 15951 B13R0.2 COCC(C)NCCCCCCCO 2230a_100011996573_100000765312 [0,2,0,0,0,0|1,0,0]=3 15952 B13R0.2 COCC(C)NCCCCCCCO 270004a_100011996573_100000749346 [0,2,0,0,0,0|1,0,0]=3 15953 B13R0.2 COCC(C)NCCCCCCCO 34a_100011996573_100000765312 [0,2,0,0,0,0|1,0,0]=3 15954 B13R0.2 COCC(C)NCCCOCCCO 2230a_100011310245_100000765312 [0,2,0,0,0,0|2,0,0]=4 15955 B13R0.2 COCC(C)NCCCOCCCO 270004a_100011310245_100000749346 [0,2,0,0,0,0|2,0,0]=4 15956 B13R0.2 COCC(C)NCCCOCCCO 34a_100011310245_100000765312 [0,2,0,0,0,0|2,0,0]=4 15957 B13R0.2 COCC(C)OCCCCCCCBr 34a_100000760002_100000765312 [0,2,0,0,0,0|2,0,0]=4 15958 B13R0.2 COCC(C)OCCCCCCCBr 7a_100000760002_100000765312 [0,2,0,0,0,0|2,0,0]=4 15959 B13R0.2 COCC(C)OCCCCCCCN 34a_100011996573_100000765312 [0,2,0,0,0,0|2,0,0]=4 15960 B13R0.2 COCC(C)SCCCCCCCO 62a_100000760002_100000765312 [0,2,0,0,0,0|1,0,0]=3 15961 B13R0.2 COCC(C)SCCCCCCCO 62a_100000765312_100000760002 [0,2,0,0,0,0|1,0,0]=3 15962 B13R0.2 COCC(N)COCCCCCCF 34a_100000724102_100015922095 [0,2,0,0,0,0|2,0,0]=4 15963 B13R0.2 COCC(N)COCCCCCCO 34a_100000724102_100000766143 [0,2,0,0,0,0|1,0,0]=3 15964 B13R0.2 COCC(O)CNCCCCCCF 2230a_100000756049_100015922095 [0,2,0,0,0,0|2,0,0]=4 15965 B13R0.2 COCC(O)CNCCCCCCF 34a_100000756049_100015922095 [0,2,0,0,0,0|2,0,0]=4 15966 B13R0.2 COCC(O)CNCCCCCCO 2230a_100000756049_100000766143 [0,2,0,0,0,0|1,0,0]=3 15967 B13R0.2 COCC(O)CNCCCCCCO 34a_100000686447_100011215053 [0,2,0,0,0,0|1,0,0]=3 15968 B13R0.2 COCC(O)CNCCCCCCO 34a_100000756049_100000766143 [0,2,0,0,0,0|1,0,0]=3 15969 B13R0.2 COCC(O)COCCCCCCBr 34a_100011215345_100011215053 [0,2,0,0,0,0|2,0,0]=4 15970 B13R0.2 COCC(O)COCCCCCCBr 7a_100011215345_100011215053 [0,2,0,0,0,0|2,0,0]=4 15971 B13R0.2 COCC(O)COCCCCCCCl 34a_100000766143_100011215053 [0,2,0,0,0,0|2,0,0]=4 15972 B13R0.2 COCC(O)COCCCCCCCl 7a_100000766143_100011215053 [0,2,0,0,0,0|2,0,0]=4 15973 B13R0.2 COCC(O)COCCCCCCF 34a_100000732779_100011215053 [0,2,0,0,0,0|2,0,0]=4 15974 B13R0.2 COCC(O)COCCCCCCF 7a_100000732779_100011215053 [0,2,0,0,0,0|2,0,0]=4 15975 B13R0.2 COCC(O)COCCCCCCN 34a_100000686447_100011215053 [0,2,0,0,0,0|2,0,0]=4 15976 B13R0.2 COCC(O)CSCCCCCCF 62a_100011215053_100015922095 [0,2,0,0,0,0|2,0,0]=4 15977 B13R0.2 COCC(O)CSCCCCCCF 62a_100015922095_100011215053 [0,2,0,0,0,0|2,0,0]=4 15978 B13R0.2 COCC(O)CSCCCCCCO 62a_100000766143_100011215053 [0,2,0,0,0,0|1,0,0]=3 15979 B13R0.2 COCC(O)CSCCCCCCO 62a_100011215053_100000766143 [0,2,0,0,0,0|1,0,0]=3 15980 B13R0.2 COCCCCCCN[C@H](C)CCO 2230a_100000706166_100011998445 [0,2,0,0,0,0|1,0,0]=3 15981 B13R0.2 COCCCCCCN[C@H](C)CCO 34a_100000706166_100011998445 [0,2,0,0,0,0|1,0,0]=3 15982 B13R0.2 COCCCCCCN[C@H](C)COC 2230a_100000764878_100011998445 [0,2,0,0,0,0|2,0,0]=4 15983 B13R0.2 COCCCCCCOC(C)CCBr 34a_100012276601_100011998445 [0,2,0,0,0,0|2,0,0]=4 15984 B13R0.2 COCCCCCCOC(C)CCO 34a_200012092642_100009893172 [0,2,0,0,0,0|1,0,0]=3 15985 B13R0.2 COCCCCCCOC(C)CCO 7a_200012092642_100009893172 [0,2,0,0,0,0|1,0,0]=3 15986 B13R0.2 COCCCCCCOC(C)COC 34a_200012092642_100000765312 [0,2,0,0,0,0|2,0,0]=4 15987 B13R0.2 COCCCCCCOC(C)COC 7a_200012092642_100000765312 [0,2,0,0,0,0|2,0,0]=4 15988 B13R0.2 COCCCCCCO[C@H](C)COC 34a_100011934205_100011998445 [0,2,0,0,0,0|2,0,0]=4 15989 B13R0.2 COCCCCCCSC(C)CCO 62a_100009893172_100011998445 [0,2,0,0,0,0|1,0,0]=3 15990 B13R0.2 COCCCCCCSC(C)CCO 62a_100011998445_100009893172 [0,2,0,0,0,0|1,0,0]=3 15991 B13R0.2 COCCCCCCSC(C)COC 62a_100000765312_100011998445 [0,2,0,0,0,0|2,0,0]=4 15992 B13R0.2 COCCCCCCSC(C)COC 62a_100011998445_100000765312 [0,2,0,0,0,0|2,0,0]=4 15993 B13R0.2 COCCCCCNCC(O)COC 34a_100000747528_100011215053 [0,2,0,0,0,0|2,0,0]=4 15994 B13R0.2 COCCOCCCNC(C)CCO 2230a_100000206027_100009893172 [0,2,0,0,0,0|2,0,0]=4 15995 B13R0.2 COCCOCCCNC(C)CCO 34a_100000206027_100009893172 [0,2,0,0,0,0|2,0,0]=4 15996 B13R0.2 COCCOCCCN[C@H](C)CCO 2230a_100000706166_100011216529 [0,2,0,0,0,0|2,0,0]=4 15997 B13R0.2 COCCOCCCN[C@H](C)CCO 34a_100000706166_100011216529 [0,2,0,0,0,0|2,0,0]=4 15998 B13R0.2 COCCOCCCSC(C)CCO 62a_100009893172_100011216529 [0,2,0,0,0,0|2,0,0]=4 15999 B13R0.2 COCCOCCCSC(C)CCO 62a_100011216529_100009893172 [0,2,0,0,0,0|2,0,0]=4 16000 B13R0.2 COC[C@@H](C)NCCCCCCCO 2230a_100000764878_100000760002 [0,2,0,0,0,0|1,0,0]=3 16001 B13R0.2 COC[C@@H](C)OCCCCCCCO 34a_100011934205_100000760002 [0,2,0,0,0,0|1,0,0]=3 16002 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,2,0,0,0,0|0,0,1]=3 16003 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,2,0,0,0,0|1,0,1]=4 16004 B13R0.2 CSCC(C)NCCCCCCCO 270004a_100011996573_100011216314 [0,2,0,0,0,0|1,0,0]=3 16005 B13R0.2 CSCC(C)NCCCOCCCO 270004a_100011310245_100011216314 [0,2,0,0,0,0|2,0,0]=4 16006 B13R0.2 C[C@@H](CC#N)NCCCCCCCO 2230a_100016994482_100000760002 [0,2,0,0,0,0|1,0,1]=4 16007 B13R0.2 C[C@H](CCO)NCCCCCCC#N 2230a_100000706166_100009813337 [0,2,0,0,0,0|1,0,1]=4 16008 B13R0.2 C[C@H](CCO)NCCCCCCCO 2230a_100000706166_100000760002 [0,2,0,0,0,0|1,0,0]=3 16009 B13R0.2 C[C@H](CCO)NCCCCCCCO 34a_100000706166_100000760002 [0,2,0,0,0,0|1,0,0]=3 16010 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,2,0,0,0,0|0,0,2]=4 16011 B13R0.2 N#CC[C@H](O)CNCCCCCCO 2230a_100000686447_100000001066 [0,2,0,0,0,0|1,0,1]=4 16012 B13R0.2 N#CC[C@H](O)CSCCCCCCO 62a_100000001066_100000766143 [0,2,0,0,0,0|1,0,1]=4 16013 B13R0.2 N#CC[C@H](O)CSCCCCCCO 62a_100000766143_100000001066 [0,2,0,0,0,0|1,0,1]=4 16014 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|0,0,1]=3 16015 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,2,0,0,0,0|1,0,1]=4 16016 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,2,0,0,0,0|1,0,1]=4 16017 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,2,0,0,0,0|1,0,1]=4 16018 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100000692101_100000760002 [0,2,0,0,0,0|0,0,2]=4 16019 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100011219782_100000753159 [0,2,0,0,0,0|0,0,2]=4 16020 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000034748_100000210211 [0,2,0,0,0,0|1,0,1]=4 16021 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000210183_100012276617 [0,2,0,0,0,0|1,0,1]=4 16022 B13R0.66 C#CCCCCCCC(=O)CCCO 1458a_100000034748_100011215043 [0,2,0,0,0,0|0,0,2]=4 16023 B13R0.66 C#CCCCCCCN(C)CCCC 2230a_100000207549_100012276617 [0,2,0,0,0,0|1,0,1]=4 16024 B13R0.66 C#CCCCCCCN(C)CCCC 269982a_100000207549_100012276617 [0,2,0,0,0,0|1,0,1]=4 16025 B13R0.66 C#CCCCCCCN(C)CCCO 2230a_100000213112_100012276617 [0,2,0,0,0,0|0,0,2]=4 16026 B13R0.66 C#CCCCCCCN(C)CCCO 269982a_100000213112_100012276617 [0,2,0,0,0,0|0,0,2]=4 16027 B13R0.66 C#CCCCCCNC(C)CCCC 2230a_100000126638_100012094781 [0,2,0,0,0,0|1,0,1]=4 16028 B13R0.66 C#CCCCCCOC(C)CCCC 34a_100000687866_100012094781 [0,2,0,0,0,0|1,0,1]=4 16029 B13R0.66 C#CCCCCCOC(C)CCCC 34a_100000766912_200011215066 [0,2,0,0,0,0|1,0,1]=4 16030 B13R0.66 C#CCCCCCOC(C)CCCC 7a_100000687866_100012094781 [0,2,0,0,0,0|1,0,1]=4 16031 B13R0.66 C#CCCCCCOC(C)CCCC 7a_100000766912_200011215066 [0,2,0,0,0,0|1,0,1]=4 16032 B13R0.66 C#CCCCCCSC(C)CCCC 62a_100012094781_200011215066 [0,2,0,0,0,0|1,0,1]=4 16033 B13R0.66 C#CCCCCCSC(C)CCCC 62a_200011215066_100012094781 [0,2,0,0,0,0|1,0,1]=4 16034 B13R0.66 C#CCCCCNC[C@H](C)CCCO 2230a_100160569302_100010269958 [0,2,0,0,0,0|0,0,2]=4 16035 B13R0.66 C#CCCCCNC[C@H](C)CCCO 34a_100160569302_100010269958 [0,2,0,0,0,0|0,0,2]=4 16036 B13R0.66 C#CCCCCOCC(C)CCCC 34a_100011995851_100010269958 [0,2,0,0,0,0|1,0,1]=4 16037 B13R0.66 C#CCCCCOCC(C)CCCC 7a_100011995851_100010269958 [0,2,0,0,0,0|1,0,1]=4 16038 B13R0.66 C#CCCCCOC[C@@H](N)CCCC 34a_100011934283_100010269958 [0,2,0,0,0,0|1,0,1]=4 16039 B13R0.66 C#CCCN(C)CCCCCCCC 2230a_100000207567_100000688953 [0,2,0,0,0,0|1,0,1]=4 16040 B13R0.66 C#CCCN(C)CCCCCCCC 269982a_100000207567_100000730999 [0,2,0,0,0,0|1,0,1]=4 16041 B13R0.66 C#CCOC(C)CCCCCCCC 34a_100000210740_100000184674 [0,2,0,0,0,0|1,0,1]=4 16042 B13R0.66 C#CCOC(C)CCCCCCCC 7a_100000210740_100000038162 [0,2,0,0,0,0|1,0,1]=4 16043 B13R0.66 C#CCOCCCCC(C)CCCC 34a_200011021034_100000184674 [0,2,0,0,0,0|1,0,1]=4 16044 B13R0.66 C#CCOCCCCC(C)CCCC 7a_200011021034_100000038162 [0,2,0,0,0,0|1,0,1]=4 16045 B13R0.66 C/C=C/CC(=O)CCCCCCCO 1458a_100011219782_100102629194 [0,2,0,0,0,0|0,0,2]=4 16046 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,1]=4 16047 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,1]=4 16048 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,2,0,0,0,0|0,0,2]=4 16049 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,2,0,0,0,0|0,0,2]=4 16050 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [0,2,0,0,0,0|1,0,1]=4 16051 B13R0.66 C=CCCC(C)NCCCCCCO 270004a_100000686447_100000762624 [0,2,0,0,0,0|0,0,2]=4 16052 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [0,2,0,0,0,0|1,0,1]=4 16053 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [0,2,0,0,0,0|1,0,1]=4 16054 B13R0.66 C=CCCC(C)OCCCCCCO 34a_100000765329_100000766143 [0,2,0,0,0,0|0,0,2]=4 16055 B13R0.66 C=CCCC(C)OCCCCCCO 7a_100000765329_100000766143 [0,2,0,0,0,0|0,0,2]=4 16056 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,2,0,0,0,0|1,0,1]=4 16057 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,2,0,0,0,0|1,0,1]=4 16058 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [0,2,0,0,0,0|0,0,2]=4 16059 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [0,2,0,0,0,0|1,0,1]=4 16060 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [0,2,0,0,0,0|1,0,1]=4 16061 B13R0.66 C=CCCCCCCN(C)CCCO 2230a_100000213112_100011215473 [0,2,0,0,0,0|0,0,2]=4 16062 B13R0.66 C=CCCCCCCN(C)CCCO 269982a_100000213112_100011215473 [0,2,0,0,0,0|0,0,2]=4 16063 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [0,2,0,0,0,0|1,0,1]=4 16064 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [0,2,0,0,0,0|1,0,1]=4 16065 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [0,2,0,0,0,0|1,0,1]=4 16066 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [0,2,0,0,0,0|1,0,1]=4 16067 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [0,2,0,0,0,0|1,0,1]=4 16068 B13R0.66 C=CCCCCCSC(C)CCCC 62a_100000700193_200011215066 [0,2,0,0,0,0|1,0,1]=4 16069 B13R0.66 C=CCCCCCSC(C)CCCC 62a_200011215066_100000700193 [0,2,0,0,0,0|1,0,1]=4 16070 B13R0.66 C=CCCCCNC[C@H](C)CCCO 2230a_100160569302_100011215482 [0,2,0,0,0,0|0,0,2]=4 16071 B13R0.66 C=CCCCCNC[C@H](C)CCCO 34a_100160569302_100011215482 [0,2,0,0,0,0|0,0,2]=4 16072 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [0,2,0,0,0,0|1,0,1]=4 16073 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [0,2,0,0,0,0|1,0,1]=4 16074 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [0,2,0,0,0,0|1,0,1]=4 16075 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [0,2,0,0,0,0|1,0,1]=4 16076 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [0,2,0,0,0,0|1,0,1]=4 16077 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [0,2,0,0,0,0|1,0,1]=4 16078 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [0,2,0,0,0,0|1,0,1]=4 16079 B13R0.66 C=CCCN(C)CCCCCCCO 2230a_100020639649_100000760002 [0,2,0,0,0,0|0,0,2]=4 16080 B13R0.66 C=CCCN(C)CCCCCCCO 269982a_100020639649_100000760002 [0,2,0,0,0,0|0,0,2]=4 16081 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [0,2,0,0,0,0|1,0,1]=4 16082 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 16083 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 16084 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [0,2,0,0,0,0|1,0,1]=4 16085 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [0,2,0,0,0,0|1,0,1]=4 16086 B13R0.66 CC#CCC(=O)CCCCCCCO 1458a_100011219782_100000748600 [0,2,0,0,0,0|0,0,2]=4 16087 B13R0.66 CC(CCCCl)OCCCCCCF 34a_200000718107_100015922095 [0,2,0,0,0,0|2,0,0]=4 16088 B13R0.66 CC(CCCCl)OCCCCCCF 7a_200000718107_100015922095 [0,2,0,0,0,0|2,0,0]=4 16089 B13R0.66 CC(CCCCl)OCCCCCCO 34a_200000718107_100000766143 [0,2,0,0,0,0|1,0,0]=3 16090 B13R0.66 CC(CCCCl)OCCCCCCO 7a_200000718107_100000766143 [0,2,0,0,0,0|1,0,0]=3 16091 B13R0.66 CC/C=C\CCNC[C@H](C)CCCO 2230a_100160569302_100015370543 [0,2,0,0,0,0|0,0,2]=4 16092 B13R0.66 CC/C=C\CCNC[C@H](C)CCCO 34a_100160569302_100015370543 [0,2,0,0,0,0|0,0,2]=4 16093 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100011219782_100000070051 [0,2,0,0,0,0|0,0,2]=4 16094 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100121576822_100000760002 [0,2,0,0,0,0|0,0,2]=4 16095 B13R0.66 CCC#CC(=O)CCCCCCCO 1458a_100011827653_100000760002 [0,2,0,0,0,0|0,0,2]=4 16096 B13R0.66 CCC#CC(C)OCCCCCCO 34a_100000033903_100000766143 [0,2,0,0,0,0|0,0,2]=4 16097 B13R0.66 CCC#CC(C)OCCCCCCO 7a_100000033903_100000766143 [0,2,0,0,0,0|0,0,2]=4 16098 B13R0.66 CCC=CC(=O)CCCCCCCO 1458a_100000212282_100000760002 [0,2,0,0,0,0|0,0,2]=4 16099 B13R0.66 CCCCC(=O)CCCCCCC#N 1458a_100000210183_100009813337 [0,2,0,0,0,0|1,0,1]=4 16100 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,2,0,0,0,0|0,0,0]=2 16101 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,2,0,0,0,0|0,0,0]=2 16102 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,2,0,0,0,0|0,0,1]=3 16103 B13R0.66 CCCCC(=O)CCCOCCOC 1458a_100000210183_100011216529 [0,2,0,0,0,0|1,0,1]=4 16104 B13R0.66 CCCCC(=O)COCCOCCO 1458a_106645077154_100000210211 [0,2,0,0,0,0|1,0,1]=4 16105 B13R0.66 CCCCC(=O)NCCCCCCO 240690a_100000686447_100000210183 [0,2,0,0,0,0|0,0,1]=3 16106 B13R0.66 CCCCC(=O)NCCCCCCO 527a_100000686447_100000210183 [0,2,0,0,0,0|0,0,1]=3 16107 B13R0.66 CCCCC(=O)NCCCCCOC 11a_100000747528_100000210183 [0,2,0,0,0,0|1,0,1]=4 16108 B13R0.66 CCCCC(=O)NCCCCCOC 1626a_100000747528_100000210183 [0,2,0,0,0,0|1,0,1]=4 16109 B13R0.66 CCCCC(=O)NCCCCCOC 240690a_100000747528_100000210183 [0,2,0,0,0,0|1,0,1]=4 16110 B13R0.66 CCCCC(=O)NCCCCCOC 527a_100000747528_100000210183 [0,2,0,0,0,0|1,0,1]=4 16111 B13R0.66 CCCCC(C)CCCCOCC#N 7a_200011021034_100011215382 [0,2,0,0,0,0|1,0,1]=4 16112 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [0,2,0,0,0,0|0,0,2]=4 16113 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [0,2,0,0,0,0|0,0,2]=4 16114 B13R0.66 CCCCC(C)CCCCOCCC 34a_200011021034_100000210303 [0,2,0,0,0,0|1,0,0]=3 16115 B13R0.66 CCCCC(C)CCCCOCCC 7a_200011021034_100000210303 [0,2,0,0,0,0|1,0,0]=3 16116 B13R0.66 CCCCC(C)CCCCOCCF 34a_200011021034_100011217306 [0,2,0,0,0,0|1,0,0]=3 16117 B13R0.66 CCCCC(C)CCCCOCCF 7a_200011021034_100011217306 [0,2,0,0,0,0|1,0,0]=3 16118 B13R0.66 CCCCC(C)CCCCOCCO 34a_200011021034_100000211926 [0,2,0,0,0,0|0,0,0]=2 16119 B13R0.66 CCCCC(C)CCCCOCCO 7a_200011021034_100000211926 [0,2,0,0,0,0|0,0,0]=2 16120 B13R0.66 CCCCC(C)CCCCOCSC 34a_200011021034_100011218213 [0,2,0,0,0,0|1,1,0]=4 16121 B13R0.66 CCCCC(C)COCCCCC#N 7a_100011995851_100000211819 [0,2,0,0,0,0|1,0,1]=4 16122 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [0,2,0,0,0,0|0,0,2]=4 16123 B13R0.66 CCCCC(C)COCCCCCF 34a_100011995851_100000729378 [0,2,0,0,0,0|1,0,0]=3 16124 B13R0.66 CCCCC(C)COCCCCCF 7a_100011995851_100000729378 [0,2,0,0,0,0|1,0,0]=3 16125 B13R0.66 CCCCC(C)COCCCCCO 34a_100011995851_100000746330 [0,2,0,0,0,0|0,0,0]=2 16126 B13R0.66 CCCCC(C)COCCCCCO 7a_100011995851_100000746330 [0,2,0,0,0,0|0,0,0]=2 16127 B13R0.66 CCCCC(C)COCCCCOC 34a_100011995851_100000755781 [0,2,0,0,0,0|1,0,0]=3 16128 B13R0.66 CCCCC(C)COCCCCOC 7a_100011995851_100000730899 [0,2,0,0,0,0|1,0,0]=3 16129 B13R0.66 CCCCC(C)COCCCOCC 34a_100011995851_100012232248 [0,2,0,0,0,0|2,0,0]=4 16130 B13R0.66 CCCCC(C)COCCCOCC 7a_100011995851_100012232248 [0,2,0,0,0,0|2,0,0]=4 16131 B13R0.66 CCCCC(C)COCCOCCC 34a_100011995851_100011215938 [0,2,0,0,0,0|2,0,0]=4 16132 B13R0.66 CCCCC(C)COCCOCCC 7a_100011995851_100011215938 [0,2,0,0,0,0|2,0,0]=4 16133 B13R0.66 CCCCC(C)COCCOCCO 34a_100011995851_100000692535 [0,2,0,0,0,0|1,0,0]=3 16134 B13R0.66 CCCCC(C)COCCOCCO 7a_100011995851_100011215305 [0,2,0,0,0,0|1,0,0]=3 16135 B13R0.66 CCCCC(C)NCCCCCC#N 2230a_100000126638_100009813376 [0,2,0,0,0,0|1,0,1]=4 16136 B13R0.66 CCCCC(C)NCCCCCC#N 270004a_100000061152_100000210087 [0,2,0,0,0,0|1,0,1]=4 16137 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [0,2,0,0,0,0|0,0,2]=4 16138 B13R0.66 CCCCC(C)NCCCCCCF 2230a_100000126638_100015922095 [0,2,0,0,0,0|1,0,0]=3 16139 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000126638_100000766143 [0,2,0,0,0,0|0,0,0]=2 16140 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000686447_200011215066 [0,2,0,0,0,0|0,0,0]=2 16141 B13R0.66 CCCCC(C)NCCCCCCO 270004a_100000686447_100000210087 [0,2,0,0,0,0|0,0,0]=2 16142 B13R0.66 CCCCC(C)NCCCCCCO 34a_100000686447_200011215066 [0,2,0,0,0,0|0,0,0]=2 16143 B13R0.66 CCCCC(C)NCCCCCOC 2230a_100000747528_200011215066 [0,2,0,0,0,0|1,0,0]=3 16144 B13R0.66 CCCCC(C)NCCCCCOC 270004a_100000747528_100000210087 [0,2,0,0,0,0|1,0,0]=3 16145 B13R0.66 CCCCC(C)NCCCCCOC 34a_100000747528_200011215066 [0,2,0,0,0,0|1,0,0]=3 16146 B13R0.66 CCCCC(C)NCCCOCCC 2230a_100011217757_200011215066 [0,2,0,0,0,0|2,0,0]=4 16147 B13R0.66 CCCCC(C)NCCCOCCC 270004a_100011217757_100000210087 [0,2,0,0,0,0|2,0,0]=4 16148 B13R0.66 CCCCC(C)NCCCOCCC 34a_100011217757_200011215066 [0,2,0,0,0,0|2,0,0]=4 16149 B13R0.66 CCCCC(C)NCCOCCOC 2230a_100000126638_100000695917 [0,2,0,0,0,0|2,0,0]=4 16150 B13R0.66 CCCCC(C)NCCOCCOC 2230a_100000745349_200011215066 [0,2,0,0,0,0|2,0,0]=4 16151 B13R0.66 CCCCC(C)NCCOCCOC 270004a_100000745349_100000210087 [0,2,0,0,0,0|2,0,0]=4 16152 B13R0.66 CCCCC(C)NCCOCCOC 34a_100000745349_200011215066 [0,2,0,0,0,0|2,0,0]=4 16153 B13R0.66 CCCCC(C)OCCCCCC#N 7a_100000687866_100009813376 [0,2,0,0,0,0|1,0,1]=4 16154 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [0,2,0,0,0,0|0,0,2]=4 16155 B13R0.66 CCCCC(C)OCCCCCCBr 34a_100011215345_200011215066 [0,2,0,0,0,0|1,0,0]=3 16156 B13R0.66 CCCCC(C)OCCCCCCBr 7a_100011215345_200011215066 [0,2,0,0,0,0|1,0,0]=3 16157 B13R0.66 CCCCC(C)OCCCCCCCl 34a_100000766143_200011215066 [0,2,0,0,0,0|1,0,0]=3 16158 B13R0.66 CCCCC(C)OCCCCCCCl 7a_100000766143_200011215066 [0,2,0,0,0,0|1,0,0]=3 16159 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000687866_100015922095 [0,2,0,0,0,0|1,0,0]=3 16160 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000732779_200011215066 [0,2,0,0,0,0|1,0,0]=3 16161 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000687866_100015922095 [0,2,0,0,0,0|1,0,0]=3 16162 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000732779_200011215066 [0,2,0,0,0,0|1,0,0]=3 16163 B13R0.66 CCCCC(C)OCCCCCCN 34a_100000686447_200011215066 [0,2,0,0,0,0|1,0,0]=3 16164 B13R0.66 CCCCC(C)OCCCCCCO 34a_100000687866_100000766143 [0,2,0,0,0,0|0,0,0]=2 16165 B13R0.66 CCCCC(C)OCCCCCCO 7a_100000687866_100000766143 [0,2,0,0,0,0|0,0,0]=2 16166 B13R0.66 CCCCC(C)OCCCCCNC 34a_100000722520_200011215066 [0,2,0,0,0,0|2,0,0]=4 16167 B13R0.66 CCCCC(C)OCCOCCOC 34a_100000687866_100000695917 [0,2,0,0,0,0|2,0,0]=4 16168 B13R0.66 CCCCC(C)OCCOCCOC 34a_100011215163_200011215066 [0,2,0,0,0,0|2,0,0]=4 16169 B13R0.66 CCCCC(C)OCCOCCOC 7a_100000687866_100000695917 [0,2,0,0,0,0|2,0,0]=4 16170 B13R0.66 CCCCC(C)OCCOCCOC 7a_100011215163_200011215066 [0,2,0,0,0,0|2,0,0]=4 16171 B13R0.66 CCCCC(C)SCCCCCC#N 62a_100009813376_200011215066 [0,2,0,0,0,0|1,0,1]=4 16172 B13R0.66 CCCCC(C)SCCCCCC#N 62a_200011215066_100009813376 [0,2,0,0,0,0|1,0,1]=4 16173 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [0,2,0,0,0,0|0,0,2]=4 16174 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [0,2,0,0,0,0|0,0,2]=4 16175 B13R0.66 CCCCC(C)SCCCCCCF 62a_100015922095_200011215066 [0,2,0,0,0,0|1,0,0]=3 16176 B13R0.66 CCCCC(C)SCCCCCCF 62a_200011215066_100015922095 [0,2,0,0,0,0|1,0,0]=3 16177 B13R0.66 CCCCC(C)SCCCCCCO 62a_100000766143_200011215066 [0,2,0,0,0,0|0,0,0]=2 16178 B13R0.66 CCCCC(C)SCCCCCCO 62a_200011215066_100000766143 [0,2,0,0,0,0|0,0,0]=2 16179 B13R0.66 CCCCC(C)SCCOCCOC 62a_100000695917_200011215066 [0,2,0,0,0,0|2,0,0]=4 16180 B13R0.66 CCCCC(C)SCCOCCOC 62a_200011215066_100000695917 [0,2,0,0,0,0|2,0,0]=4 16181 B13R0.66 CCCCC/C=C/CC(=O)CCCO 1458a_100020675968_100011215043 [0,2,0,0,0,0|0,0,2]=4 16182 B13R0.66 CCCCCC#CCN(C)CCCO 2230a_100000213112_100009816472 [0,2,0,0,0,0|0,0,2]=4 16183 B13R0.66 CCCCCC#CCN(C)CCCO 269982a_100000213112_100009816472 [0,2,0,0,0,0|0,0,2]=4 16184 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [0,2,0,0,0,0|0,0,2]=4 16185 B13R0.66 CCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210759 [0,2,0,0,0,0|0,0,2]=4 16186 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,2,0,0,0,0|1,0,1]=4 16187 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,2,0,0,0,0|1,0,1]=4 16188 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,2,0,0,0,0|1,0,0]=3 16189 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,2,0,0,0,0|1,0,0]=3 16190 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,2,0,0,0,0|1,0,0]=3 16191 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,2,0,0,0,0|0,0,0]=2 16192 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,2,0,0,0,0|0,0,1]=3 16193 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,2,0,0,0,0|0,0,1]=3 16194 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,2,0,0,0,0|0,1,1]=4 16195 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,2,0,0,0,0|0,1,1]=4 16196 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,2,0,0,0,0|1,0,1]=4 16197 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [0,2,0,0,0,0|1,0,1]=4 16198 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 16199 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 16200 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 16201 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 16202 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 16203 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 16204 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 16205 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 16206 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [0,2,0,0,0,0|0,0,1]=3 16207 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [0,2,0,0,0,0|0,0,1]=3 16208 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [0,2,0,0,0,0|1,0,0]=3 16209 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [0,2,0,0,0,0|1,0,0]=3 16210 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [0,2,0,0,0,0|1,0,0]=3 16211 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [0,2,0,0,0,0|1,0,0]=3 16212 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [0,2,0,0,0,0|1,0,0]=3 16213 B13R0.66 CCCCCCCCC(C)NCCC 270004a_100020643023_100011216694 [0,2,0,0,0,0|1,0,0]=3 16214 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [0,2,0,0,0,0|0,0,0]=2 16215 B13R0.66 CCCCCCCCC(C)OCC#N 7a_100000210740_100011215382 [0,2,0,0,0,0|1,0,1]=4 16216 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,2,0,0,0,0|0,0,2]=4 16217 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,2,0,0,0,0|0,0,2]=4 16218 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [0,2,0,0,0,0|1,0,0]=3 16219 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [0,2,0,0,0,0|1,0,0]=3 16220 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [0,2,0,0,0,0|1,0,0]=3 16221 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [0,2,0,0,0,0|1,0,0]=3 16222 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,2,0,0,0,0|0,0,0]=2 16223 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,2,0,0,0,0|0,0,0]=2 16224 B13R0.66 CCCCCCCCC(C)OCSC 34a_100000210740_100011218213 [0,2,0,0,0,0|1,1,0]=4 16225 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_100000184479_100000210759 [0,2,0,0,0,0|1,0,1]=4 16226 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_100000207567_100011215226 [0,2,0,0,0,0|1,0,1]=4 16227 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_200000208009_200000210301 [0,2,0,0,0,0|1,0,1]=4 16228 B13R0.66 CCCCCCCCN(C)CCC#N 269982a_100000207567_100011215226 [0,2,0,0,0,0|1,0,1]=4 16229 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207549_100000210759 [0,2,0,0,0,0|1,0,0]=3 16230 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207567_100000210211 [0,2,0,0,0,0|1,0,0]=3 16231 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207549_100000210759 [0,2,0,0,0,0|1,0,0]=3 16232 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207567_100000210211 [0,2,0,0,0,0|1,0,0]=3 16233 B13R0.66 CCCCCCCCN(C)CCCF 2230a_100000207567_100011934791 [0,2,0,0,0,0|1,0,0]=3 16234 B13R0.66 CCCCCCCCN(C)CCCF 269982a_100000207567_100011934791 [0,2,0,0,0,0|1,0,0]=3 16235 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [0,2,0,0,0,0|0,0,0]=2 16236 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [0,2,0,0,0,0|0,0,0]=2 16237 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [0,2,0,0,0,0|0,0,0]=2 16238 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [0,2,0,0,0,0|0,0,0]=2 16239 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000207567_100011201679 [0,2,0,0,0,0|1,0,0]=3 16240 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000743101_100000210759 [0,2,0,0,0,0|1,0,0]=3 16241 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000207567_100000233755 [0,2,0,0,0,0|1,0,0]=3 16242 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000743101_100000210759 [0,2,0,0,0,0|1,0,0]=3 16243 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000207567_100000751147 [0,2,0,0,0,0|1,1,0]=4 16244 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000686725_100000210759 [0,2,0,0,0,0|1,1,0]=4 16245 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000207567_100000212216 [0,2,0,0,0,0|1,1,0]=4 16246 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000686725_100000210759 [0,2,0,0,0,0|1,1,0]=4 16247 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [0,2,0,0,0,0|2,0,0]=4 16248 B13R0.66 CCCCCCCCN([13CH3])CCC#N 2230a_200000208009_200025704644 [0,2,0,0,0,0|1,0,1]=4 16249 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [0,2,0,0,0,0|1,0,1]=4 16250 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [0,2,0,0,0,0|1,0,1]=4 16251 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [0,2,0,0,0,0|1,0,1]=4 16252 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [0,2,0,0,0,0|1,0,1]=4 16253 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 16254 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 16255 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 16256 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 16257 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [0,2,0,0,0,0|1,0,1]=4 16258 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [0,2,0,0,0,0|1,0,1]=4 16259 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [0,2,0,0,0,0|1,0,1]=4 16260 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [0,2,0,0,0,0|1,0,1]=4 16261 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000126638_100000210681 [0,2,0,0,0,0|1,0,0]=3 16262 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000229938_200011215066 [0,2,0,0,0,0|1,0,0]=3 16263 B13R0.66 CCCCCCCNC(C)CCCC 270004a_100000229938_100000210087 [0,2,0,0,0,0|1,0,0]=3 16264 B13R0.66 CCCCCCCNC(C)CCOC 270004a_100000229938_100000742357 [0,2,0,0,0,0|1,0,0]=3 16265 B13R0.66 CCCCCCCNC(C)CCSC 270004a_100000229938_100011217047 [0,2,0,0,0,0|1,1,0]=4 16266 B13R0.66 CCCCCCCNC(C)CSCC 270004a_100000229938_200011216171 [0,2,0,0,0,0|2,0,0]=4 16267 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000210272_200011215066 [0,2,0,0,0,0|1,0,0]=3 16268 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000687866_100000210614 [0,2,0,0,0,0|1,0,0]=3 16269 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000210272_200011215066 [0,2,0,0,0,0|1,0,0]=3 16270 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000687866_100000210614 [0,2,0,0,0,0|1,0,0]=3 16271 B13R0.66 CCCCCCCOC(C)CCCCl 34a_200000718107_100000210614 [0,2,0,0,0,0|1,0,0]=3 16272 B13R0.66 CCCCCCCOC(C)CCCCl 7a_200000718107_100000210614 [0,2,0,0,0,0|1,0,0]=3 16273 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [0,2,0,0,0,0|2,0,0]=4 16274 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [0,2,0,0,0,0|2,0,0]=4 16275 B13R0.66 CCCCCCCSC(C)CCCC 62a_100000210614_200011215066 [0,2,0,0,0,0|1,0,0]=3 16276 B13R0.66 CCCCCCCSC(C)CCCC 62a_200011215066_100000210316 [0,2,0,0,0,0|1,0,0]=3 16277 B13R0.66 CCCCCCNCC(C)OCCC 2230a_100015185124_100000210314 [0,2,0,0,0,0|2,0,0]=4 16278 B13R0.66 CCCCCCNCC(C)OCCC 34a_100015185124_100000210314 [0,2,0,0,0,0|2,0,0]=4 16279 B13R0.66 CCCCCCNCC(O)COCC 2230a_102515437182_100000210314 [0,2,0,0,0,0|2,0,0]=4 16280 B13R0.66 CCCCCCNCC(O)COCC 34a_102515437182_100000210314 [0,2,0,0,0,0|2,0,0]=4 16281 B13R0.66 CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210314 [0,2,0,0,0,0|0,0,0]=2 16282 B13R0.66 CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210314 [0,2,0,0,0,0|0,0,0]=2 16283 B13R0.66 CCCCCCOCC(C)CCCC 34a_100011995851_100000210314 [0,2,0,0,0,0|1,0,0]=3 16284 B13R0.66 CCCCCCOCC(C)CCCC 7a_100011995851_100000210314 [0,2,0,0,0,0|1,0,0]=3 16285 B13R0.66 CCCCCCOC[C@@H](C)OCOC 34a_100016172286_100000210314 [0,2,0,0,0,0|2,0,0]=4 16286 B13R0.66 CCCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210314 [0,2,0,0,0,0|2,0,0]=4 16287 B13R0.66 CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210314 [0,2,0,0,0,0|1,0,0]=3 16288 B13R0.66 CCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210314 [0,2,0,0,0,0|1,1,0]=4 16289 B13R0.66 CCCCN(C)CCCCCCC#N 2230a_100000207549_100009813337 [0,2,0,0,0,0|1,0,1]=4 16290 B13R0.66 CCCCN(C)CCCCCCC#N 269982a_100000207549_100009813337 [0,2,0,0,0,0|1,0,1]=4 16291 B13R0.66 CCCCN(C)CCCCCCCO 2230a_100000207549_100000760002 [0,2,0,0,0,0|0,0,0]=2 16292 B13R0.66 CCCCN(C)CCCCCCCO 269982a_100000207549_100000760002 [0,2,0,0,0,0|0,0,0]=2 16293 B13R0.66 CCCCN(C)CCCCCCOC 2230a_100000207549_100011998445 [0,2,0,0,0,0|1,0,0]=3 16294 B13R0.66 CCCCN(C)CCCCCCOC 269982a_100000207549_100011998445 [0,2,0,0,0,0|1,0,0]=3 16295 B13R0.66 CCCCN(C)CCCOCCOC 2230a_100000207549_100011216529 [0,2,0,0,0,0|2,0,0]=4 16296 B13R0.66 CCCCN(C)CCCOCCOC 269982a_100000207549_100011216529 [0,2,0,0,0,0|2,0,0]=4 16297 B13R0.66 CCCCOCCNC(C)CCCC 2230a_100000126638_100000743108 [0,2,0,0,0,0|2,0,0]=4 16298 B13R0.66 CCCCOCCOC(C)CCCC 34a_100000210238_200011215066 [0,2,0,0,0,0|2,0,0]=4 16299 B13R0.66 CCCCOCCOC(C)CCCC 34a_100000687866_100000743108 [0,2,0,0,0,0|2,0,0]=4 16300 B13R0.66 CCCCOCCOC(C)CCCC 7a_100000210238_200011215066 [0,2,0,0,0,0|2,0,0]=4 16301 B13R0.66 CCCCOCCOC(C)CCCC 7a_100000687866_100000743108 [0,2,0,0,0,0|2,0,0]=4 16302 B13R0.66 CCCCOCCOC(C)CCCCl 34a_200000718107_100000743108 [0,2,0,0,0,0|2,0,0]=4 16303 B13R0.66 CCCCOCCOC(C)CCCCl 7a_200000718107_100000743108 [0,2,0,0,0,0|2,0,0]=4 16304 B13R0.66 CCCCOCCSC(C)CCCC 62a_100000743108_200011215066 [0,2,0,0,0,0|2,0,0]=4 16305 B13R0.66 CCCCOCCSC(C)CCCC 62a_200011215066_100000743108 [0,2,0,0,0,0|2,0,0]=4 16306 B13R0.66 CCCCOCNC[C@H](C)CCCO 2230a_100160569302_100011995733 [0,2,0,0,0,0|1,0,0]=3 16307 B13R0.66 CCCCOCNC[C@H](C)CCCO 34a_100160569302_100011995733 [0,2,0,0,0,0|1,0,0]=3 16308 B13R0.66 CCCCOCOCC(C)CCCC 34a_100011995851_100011995733 [0,2,0,0,0,0|2,0,0]=4 16309 B13R0.66 CCCCOCOC[C@@H](N)CCCC 34a_100011934283_100011995733 [0,2,0,0,0,0|2,0,0]=4 16310 B13R0.66 CCCCSCCNC(C)CCCC 2230a_100025743550_200011215066 [0,2,0,0,0,0|2,0,0]=4 16311 B13R0.66 CCCCSCCNC(C)CCCC 270004a_100025743550_100000210087 [0,2,0,0,0,0|2,0,0]=4 16312 B13R0.66 CCCCSCCNC(C)CCOC 270004a_100025743550_100000742357 [0,2,0,0,0,0|2,0,0]=4 16313 B13R0.66 CCCCSCCOC(C)CCCC 34a_200000230436_200011215066 [0,2,0,0,0,0|2,0,0]=4 16314 B13R0.66 CCCCSCCOC(C)CCCC 7a_200000230436_200011215066 [0,2,0,0,0,0|2,0,0]=4 16315 B13R0.66 CCCC[C@H](N)COCCCCCF 34a_100011934283_100000729378 [0,2,0,0,0,0|1,0,0]=3 16316 B13R0.66 CCCC[C@H](N)COCCCCCO 34a_100011934283_100000746330 [0,2,0,0,0,0|0,0,0]=2 16317 B13R0.66 CCCC[C@H](N)COCCCCOC 34a_100011934283_100000755781 [0,2,0,0,0,0|1,0,0]=3 16318 B13R0.66 CCCC[C@H](N)COCCCOCC 34a_100011934283_100012232248 [0,2,0,0,0,0|2,0,0]=4 16319 B13R0.66 CCCC[C@H](N)COCCOCCC 34a_100011934283_100011215938 [0,2,0,0,0,0|2,0,0]=4 16320 B13R0.66 CCCC[C@H](N)COCCOCCO 34a_100011934283_100000692535 [0,2,0,0,0,0|1,0,0]=3 16321 B13R0.66 CCCNC(=O)CCCCCCCO 240690a_100020643023_100011219782 [0,2,0,0,0,0|0,0,1]=3 16322 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011194427_100011215043 [0,2,0,0,0,0|1,0,1]=4 16323 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011215043_100011194427 [0,2,0,0,0,0|1,0,1]=4 16324 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000174927_100000746330 [0,2,0,0,0,0|1,0,1]=4 16325 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000762737_100000183358 [0,2,0,0,0,0|1,0,1]=4 16326 B13R0.66 CCCNC(=O)CNCCCCCO 34a_100000762737_100000183358 [0,2,0,0,0,0|1,0,1]=4 16327 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000183358_100000746330 [0,2,0,0,0,0|1,0,1]=4 16328 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000746330_100000183358 [0,2,0,0,0,0|1,0,1]=4 16329 B13R0.66 CCCNC(=O)NCCCCCCO 2708a_100020643023_100000686447 [0,2,0,0,0,0|1,0,1]=4 16330 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100000686447_100020643023 [0,2,0,0,0,0|1,0,1]=4 16331 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100020643023_100000686447 [0,2,0,0,0,0|1,0,1]=4 16332 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100000686447_100020643023 [0,2,0,0,0,0|1,0,1]=4 16333 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100020643023_100000686447 [0,2,0,0,0,0|1,0,1]=4 16334 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [0,2,0,0,0,0|1,0,1]=4 16335 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [0,2,0,0,0,0|1,0,1]=4 16336 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [0,2,0,0,0,0|1,0,1]=4 16337 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [0,2,0,0,0,0|1,0,1]=4 16338 B13R0.66 CCCOC(C)CNCCCCCF 2230a_100015185124_100000729378 [0,2,0,0,0,0|2,0,0]=4 16339 B13R0.66 CCCOC(C)CNCCCCCF 34a_100015185124_100000729378 [0,2,0,0,0,0|2,0,0]=4 16340 B13R0.66 CCCOC(C)CNCCCCCO 2230a_100015185124_100000746330 [0,2,0,0,0,0|1,0,0]=3 16341 B13R0.66 CCCOC(C)CNCCCCCO 34a_100015185124_100000746330 [0,2,0,0,0,0|1,0,0]=3 16342 B13R0.66 CCCOC(C)CNCCCCOC 2230a_100015185124_100000730899 [0,2,0,0,0,0|2,0,0]=4 16343 B13R0.66 CCCOC(C)CNCCCCOC 34a_100015185124_100000755781 [0,2,0,0,0,0|2,0,0]=4 16344 B13R0.66 CCCOC(C)CNCCOCCO 2230a_100015185124_100011215305 [0,2,0,0,0,0|2,0,0]=4 16345 B13R0.66 CCCOC(C)CNCCOCCO 34a_100015185124_100000692535 [0,2,0,0,0,0|2,0,0]=4 16346 B13R0.66 CCCOCCCNC(C)CCOC 270004a_100011217757_100000742357 [0,2,0,0,0,0|2,0,0]=4 16347 B13R0.66 CCCOCCNC[C@H](C)CCCO 2230a_100160569302_100011215938 [0,2,0,0,0,0|1,0,0]=3 16348 B13R0.66 CCCOCCNC[C@H](C)CCCO 34a_100160569302_100011215938 [0,2,0,0,0,0|1,0,0]=3 16349 B13R0.66 CCNNC(=O)CCCCCCCO 22a_100000756455_100011219782 [0,2,0,0,0,0|1,0,1]=4 16350 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [0,2,0,0,0,0|0,0,1]=3 16351 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [0,2,0,0,0,0|1,0,1]=4 16352 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [0,2,0,0,0,0|1,0,1]=4 16353 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [0,2,0,0,0,0|1,0,1]=4 16354 B13R0.66 CCOCC(C)OCCCCCCF 34a_100000718985_100015922095 [0,2,0,0,0,0|2,0,0]=4 16355 B13R0.66 CCOCC(C)OCCCCCCF 7a_100000718985_100015922095 [0,2,0,0,0,0|2,0,0]=4 16356 B13R0.66 CCOCC(C)OCCCCCCO 34a_100000718985_100000766143 [0,2,0,0,0,0|1,0,0]=3 16357 B13R0.66 CCOCC(C)OCCCCCCO 7a_100000718985_100000766143 [0,2,0,0,0,0|1,0,0]=3 16358 B13R0.66 CCOCC(O)CNCCCCCF 2230a_102515437182_100000729378 [0,2,0,0,0,0|2,0,0]=4 16359 B13R0.66 CCOCC(O)CNCCCCCF 34a_102515437182_100000729378 [0,2,0,0,0,0|2,0,0]=4 16360 B13R0.66 CCOCC(O)CNCCCCCO 2230a_102515437182_100000746330 [0,2,0,0,0,0|1,0,0]=3 16361 B13R0.66 CCOCC(O)CNCCCCCO 34a_102515437182_100000746330 [0,2,0,0,0,0|1,0,0]=3 16362 B13R0.66 CCOCC(O)CNCCCCOC 2230a_102515437182_100000730899 [0,2,0,0,0,0|2,0,0]=4 16363 B13R0.66 CCOCC(O)CNCCCCOC 34a_102515437182_100000755781 [0,2,0,0,0,0|2,0,0]=4 16364 B13R0.66 CCOCC(O)CNCCOCCO 2230a_102515437182_100011215305 [0,2,0,0,0,0|2,0,0]=4 16365 B13R0.66 CCOCC(O)CNCCOCCO 34a_102515437182_100000692535 [0,2,0,0,0,0|2,0,0]=4 16366 B13R0.66 CCOCCCNC[C@H](C)CCCO 2230a_100160569302_100012232248 [0,2,0,0,0,0|1,0,0]=3 16367 B13R0.66 CCOCCCNC[C@H](C)CCCO 34a_100160569302_100012232248 [0,2,0,0,0,0|1,0,0]=3 16368 B13R0.66 CCOCCOCCN(C)CCCO 2230a_100000213112_100011211534 [0,2,0,0,0,0|2,0,0]=4 16369 B13R0.66 CCOCCOCCN(C)CCCO 269982a_100000213112_100011211534 [0,2,0,0,0,0|2,0,0]=4 16370 B13R0.66 CCSCC(=O)CCCCCCCO 1458a_100000230394_100000760002 [0,2,0,0,0,0|0,0,1]=3 16371 B13R0.66 CCSCC(=O)CCCCCCOC 1458a_100000230394_100011998445 [0,2,0,0,0,0|1,0,1]=4 16372 B13R0.66 CCSCC(=O)NCCCCCCO 240690a_100000686447_100000230394 [0,2,0,0,0,0|1,0,1]=4 16373 B13R0.66 CCSCC(=O)NCCCCCCO 527a_100000686447_100000230394 [0,2,0,0,0,0|1,0,1]=4 16374 B13R0.66 CCSCC(C)NCCCCCCO 270004a_100000686447_200011216171 [0,2,0,0,0,0|1,0,0]=3 16375 B13R0.66 CCSCC(C)NCCCCCOC 270004a_100000747528_200011216171 [0,2,0,0,0,0|2,0,0]=4 16376 B13R0.66 CN(CCC#N)CCCCCCCO 2230a_100000184479_100000760002 [0,2,0,0,0,0|1,0,1]=4 16377 B13R0.66 CN(CCCO)CCCCCCC#N 2230a_100000213112_100009813337 [0,2,0,0,0,0|1,0,1]=4 16378 B13R0.66 CN(CCCO)CCCCCCC#N 269982a_100000213112_100009813337 [0,2,0,0,0,0|1,0,1]=4 16379 B13R0.66 CN(CCCO)CCCCCCCO 2230a_100000213112_100000760002 [0,2,0,0,0,0|1,0,0]=3 16380 B13R0.66 CN(CCCO)CCCCCCCO 269982a_100000213112_100000760002 [0,2,0,0,0,0|1,0,0]=3 16381 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [0,2,0,0,0,0|0,0,1]=3 16382 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [0,2,0,0,0,0|0,0,1]=3 16383 B13R0.66 COCCC(=O)NCCCCCCO 240690a_100000686447_100000749529 [0,2,0,0,0,0|1,0,1]=4 16384 B13R0.66 COCCC(=O)NCCCCCCO 527a_100000686447_100000749529 [0,2,0,0,0,0|1,0,1]=4 16385 B13R0.66 COCCC(C)NCCCCCCO 270004a_100000686447_100000742357 [0,2,0,0,0,0|1,0,0]=3 16386 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [0,2,0,0,0,0|1,0,1]=4 16387 B13R0.66 COCCCCCCC(=O)CCSC 1458a_100000174002_100011998445 [0,2,0,0,0,0|1,0,1]=4 16388 B13R0.66 COCCCCCCN(C)CCCO 2230a_100000213112_100011998445 [0,2,0,0,0,0|1,0,0]=3 16389 B13R0.66 COCCCCCCN(C)CCCO 269982a_100000213112_100011998445 [0,2,0,0,0,0|1,0,0]=3 16390 B13R0.66 COCCCCCCN(C)CCOC 2230a_100000743101_100011998445 [0,2,0,0,0,0|2,0,0]=4 16391 B13R0.66 COCCCCCCN(C)CCOC 269982a_100000743101_100011998445 [0,2,0,0,0,0|2,0,0]=4 16392 B13R0.66 COCCCCCCN(C)CCSC 2230a_100000686725_100011998445 [0,2,0,0,0,0|2,0,0]=4 16393 B13R0.66 COCCCCCCN(C)CCSC 269982a_100000686725_100011998445 [0,2,0,0,0,0|2,0,0]=4 16394 B13R0.66 COCCCCCNC(C)CCOC 270004a_100000747528_100000742357 [0,2,0,0,0,0|2,0,0]=4 16395 B13R0.66 COCCCCCNC(C)CCSC 270004a_100000747528_100011217047 [0,2,0,0,0,0|2,0,0]=4 16396 B13R0.66 COCCCCNC[C@H](C)CCCO 2230a_100160569302_100000730899 [0,2,0,0,0,0|1,0,0]=3 16397 B13R0.66 COCCCCNC[C@H](C)CCCO 34a_100160569302_100000755781 [0,2,0,0,0,0|1,0,0]=3 16398 B13R0.66 COCCCCOC[C@@H](N)CCSC 34a_100011827619_100000755781 [0,2,0,0,0,0|2,0,0]=4 16399 B13R0.66 COCCN(C)CCCCCCCO 2230a_100000743101_100000760002 [0,2,0,0,0,0|1,0,0]=3 16400 B13R0.66 COCCN(C)CCCCCCCO 269982a_100000743101_100000760002 [0,2,0,0,0,0|1,0,0]=3 16401 B13R0.66 COCCOCCCN(C)CCCO 2230a_100000213112_100011216529 [0,2,0,0,0,0|2,0,0]=4 16402 B13R0.66 COCCOCCCN(C)CCCO 269982a_100000213112_100011216529 [0,2,0,0,0,0|2,0,0]=4 16403 B13R0.66 COCCOCNC[C@H](C)CCCO 2230a_100160569302_100000231047 [0,2,0,0,0,0|2,0,0]=4 16404 B13R0.66 COCO[C@H](C)COCCCCCO 34a_100016172286_100000746330 [0,2,0,0,0,0|2,0,0]=4 16405 B13R0.66 COCO[C@H](C)COCCCCCO 7a_100016172286_100000746330 [0,2,0,0,0,0|2,0,0]=4 16406 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [0,2,0,0,0,0|0,0,1]=3 16407 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [0,2,0,0,0,0|0,0,1]=3 16408 B13R0.66 CSCCC(=O)NCCCCCCO 240690a_100000686447_100000174002 [0,2,0,0,0,0|1,0,1]=4 16409 B13R0.66 CSCCC(=O)NCCCCCCO 527a_100000686447_100000174002 [0,2,0,0,0,0|1,0,1]=4 16410 B13R0.66 CSCCC(C)NCCCCCCO 270004a_100000686447_100011217047 [0,2,0,0,0,0|1,0,0]=3 16411 B13R0.66 CSCCN(C)CCCCCCCO 2230a_100000686725_100000760002 [0,2,0,0,0,0|1,0,0]=3 16412 B13R0.66 CSCCN(C)CCCCCCCO 269982a_100000686725_100000760002 [0,2,0,0,0,0|1,0,0]=3 16413 B13R0.66 CSCC[C@H](N)COCCCCCF 34a_100011827619_100000729378 [0,2,0,0,0,0|2,0,0]=4 16414 B13R0.66 CSCC[C@H](N)COCCCCCO 34a_100011827619_100000746330 [0,2,0,0,0,0|1,0,0]=3 16415 B13R0.66 CSCC[C@H](N)COCCOCCO 34a_100011827619_100000692535 [0,2,0,0,0,0|2,0,0]=4 16416 B13R0.66 C[C@H](CCCO)CNCCCCC#N 2230a_100160569302_100000211819 [0,2,0,0,0,0|1,0,1]=4 16417 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [0,2,0,0,0,0|1,0,1]=4 16418 B13R0.66 C[C@H](CCCO)CNCCCCCF 2230a_100160569302_100000729378 [0,2,0,0,0,0|1,0,0]=3 16419 B13R0.66 C[C@H](CCCO)CNCCCCCF 34a_100160569302_100000729378 [0,2,0,0,0,0|1,0,0]=3 16420 B13R0.66 C[C@H](CCCO)CNCCCCCO 2230a_100160569302_100000746330 [0,2,0,0,0,0|1,0,0]=3 16421 B13R0.66 C[C@H](CCCO)CNCCCCCO 34a_100160569302_100000746330 [0,2,0,0,0,0|1,0,0]=3 16422 B13R0.66 C[C@H](CCCO)CNCCOCCO 2230a_100160569302_100011215305 [0,2,0,0,0,0|2,0,0]=4 16423 B13R0.66 C[C@H](CCCO)CNCCOCCO 34a_100160569302_100000692535 [0,2,0,0,0,0|2,0,0]=4 16424 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011219782_100011215226 [0,2,0,0,0,0|0,0,2]=4 16425 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011934036_100000760002 [0,2,0,0,0,0|0,0,2]=4 16426 B13R0.66 O=C(CCCCCCCO)NCCF 240690a_100000724931_100011219782 [0,2,0,0,0,0|1,0,1]=4 16427 B13R0.66 O=C(CCCCCCCO)NCCO 240690a_100000210304_100011219782 [0,2,0,0,0,0|1,0,1]=4 16428 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [0,2,0,0,0,0|0,0,1]=3 16429 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [0,2,0,0,0,0|0,0,1]=3 16430 B13R0.87 CCCC(C)CCCOCC(C)CC 34a_100011713154_100000748023 [0,2,0,0,0,0|2,0,0]=4 16431 B13R0.87 CCCC(C)CCCOCC(C)CC 7a_100011713154_100000748023 [0,2,0,0,0,0|2,0,0]=4 16432 B13R0.87 CCCC(C)CCCOCC(O)CC 34a_100011713154_100011218378 [0,2,0,0,0,0|2,0,0]=4 16433 B13R0.87 CCCC(C)CCCOCC(O)CC 7a_100011713154_100011218378 [0,2,0,0,0,0|2,0,0]=4 16434 B13R0.87 CCCC(C)CCCOCC(O)CO 34a_100011713154_100011219619 [0,2,0,0,0,0|1,0,0]=3 16435 B13R0.87 CCCC(C)CCCOCC(O)CO 7a_100011713154_100011219619 [0,2,0,0,0,0|1,0,0]=3 16436 B13R0.87 CCCC(C)CCCOC[C@@H](C)CC 34a_100011713154_100009816398 [0,2,0,0,0,0|2,0,0]=4 16437 B13R0.87 CCCC(C)CCCOC[C@@H](C)CC 7a_100011713154_100009816398 [0,2,0,0,0,0|2,0,0]=4 16438 B13R0.87 CCCC(C)CCCOC[C@@H](C)CO 34a_100011713154_100000059175 [0,2,0,0,0,0|1,0,0]=3 16439 B13R0.87 CCCC(C)CCCOC[C@@H](C)CO 7a_100011713154_100000059175 [0,2,0,0,0,0|1,0,0]=3 16440 B13R0.87 CCCC(C)CCCOC[C@@H](O)CF 34a_100011713154_100015614560 [0,2,0,0,0,0|2,0,0]=4 16441 B13R0.87 CCCC(C)CCCOC[C@@H](O)CF 7a_100011713154_100015614560 [0,2,0,0,0,0|2,0,0]=4 16442 B13R0.87 CCCC(C)CCCOC[C@@H](O)CO 34a_100011713154_100009815848 [0,2,0,0,0,0|1,0,0]=3 16443 B13R0.87 CCCC(C)CCCOC[C@@H](O)CO 7a_100011713154_100009815848 [0,2,0,0,0,0|1,0,0]=3 16444 B13R0.87 CCCC(C)COCCCC(C)CC 7a_100011216074_100011216630 [0,2,0,0,0,0|2,0,0]=4 16445 B13R0.87 CCCC(C)COCCC[C@@H](C)CN 34a_100160569302_100011216630 [0,2,0,0,0,0|2,0,0]=4 16446 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [0,2,0,0,0,0|1,0,1]=4 16447 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [0,2,0,0,0,0|0,0,1]=3 16448 B13R0.88 CC(C)CCCCCNC(=O)CCO 240690a_100011290863_100011216618 [0,2,0,0,0,0|1,0,1]=4 16449 B13R0.88 CC(C)CCCCCNC(C)CCO 2230a_100011290863_100009893172 [0,2,0,0,0,0|1,0,0]=3 16450 B13R0.88 CC(C)CCCCCNC(C)CCO 34a_100011290863_100009893172 [0,2,0,0,0,0|1,0,0]=3 16451 B13R0.88 CC(C)CCCCCN[C@H](C)CCO 2230a_100000706166_100000210682 [0,2,0,0,0,0|1,0,0]=3 16452 B13R0.88 CC(C)CCCCCN[C@H](C)CCO 34a_100000706166_100000210682 [0,2,0,0,0,0|1,0,0]=3 16453 B13R0.88 CC(C)CCCCCOC(C)CCBr 34a_100012276601_100000210682 [0,2,0,0,0,0|2,0,0]=4 16454 B13R0.88 CC(C)CCCCCOC(C)CCO 34a_100011995859_100009893172 [0,2,0,0,0,0|1,0,0]=3 16455 B13R0.88 CC(C)CCCCCOC(C)CCO 7a_100011995859_100009893172 [0,2,0,0,0,0|1,0,0]=3 16456 B13R0.88 CC(C)CCCCCSC(C)CCO 62a_100000210682_100009893172 [0,2,0,0,0,0|1,0,0]=3 16457 B13R0.88 CC(C)CCCCCSC(C)CCO 62a_100009893172_100000210682 [0,2,0,0,0,0|1,0,0]=3 16458 B13R0.88 CC(C)CCCCOCC(C)CCN 34a_106354213184_100011216152 [0,2,0,0,0,0|2,0,0]=4 16459 B13R0.88 CC(C)COCCCNC(C)CCO 2230a_100000205972_100009893172 [0,2,0,0,0,0|2,0,0]=4 16460 B13R0.88 CC(C)COCCCNC(C)CCO 34a_100000205972_100009893172 [0,2,0,0,0,0|2,0,0]=4 16461 B13R0.88 CC(C)NCCCCOC(C)CCO 34a_100011521146_100009893172 [0,2,0,0,0,0|2,0,0]=4 16462 B13R0.88 CCCC(=O)CCCCCCB(O)O 1458a_100000211992_100009817187 [0,2,0,0,0,0|1,0,1]=4 16463 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,2,0,0,0,0|1,0,1]=4 16464 B13R0.88 CCCC(C)CCCOCCC(C)C 34a_100011713154_100000210312 [0,2,0,0,0,0|2,0,0]=4 16465 B13R0.88 CCCC(C)CCCOCCC(C)C 7a_100011713154_100000210626 [0,2,0,0,0,0|2,0,0]=4 16466 B13R0.88 CCCC(C)CCCOCCC(C)O 34a_100011713154_100012276601 [0,2,0,0,0,0|1,0,0]=3 16467 B13R0.88 CCCC(C)CCCOCCC(C)O 7a_100011713154_100012276601 [0,2,0,0,0,0|1,0,0]=3 16468 B13R0.88 CCCC(C)CCOCCCC(C)C 34a_100011217855_100011214892 [0,2,0,0,0,0|2,0,0]=4 16469 B13R0.88 CCCC(C)CCOCCCC(C)C 7a_100011217855_100011214892 [0,2,0,0,0,0|2,0,0]=4 16470 B13R0.88 CCCC(C)CCOCCCC(C)O 34a_100011217855_200000718107 [0,2,0,0,0,0|1,0,0]=3 16471 B13R0.88 CCCC(C)CCOCCCC(C)O 7a_100011217855_200000718107 [0,2,0,0,0,0|1,0,0]=3 16472 B13R0.88 CCCC(C)COCCCCB(O)O 34a_100000688023_200009817182 [0,2,0,0,0,0|2,0,0]=4 16473 B13R0.88 CCCC(C)COCCCCB(O)O 7a_100000688023_200009817182 [0,2,0,0,0,0|2,0,0]=4 16474 B13R0.88 CCCC(C)COCCCCC(C)C 34a_100000688023_100011216152 [0,2,0,0,0,0|2,0,0]=4 16475 B13R0.88 CCCC(C)COCCCCC(C)C 34a_100011214890_100011216630 [0,2,0,0,0,0|2,0,0]=4 16476 B13R0.88 CCCC(C)COCCCCC(C)C 7a_100000688023_100011216152 [0,2,0,0,0,0|2,0,0]=4 16477 B13R0.88 CCCC(C)COCCCCC(C)C 7a_100011214890_100011216630 [0,2,0,0,0,0|2,0,0]=4 16478 B13R0.88 CCCC(C)CSCCCCB(O)O 62a_100011216630_200009817182 [0,2,0,0,0,0|2,0,0]=4 16479 B13R0.88 CCCC(C)CSCCCCB(O)O 62a_200009817182_100011216630 [0,2,0,0,0,0|2,0,0]=4 16480 B13R0.88 CCCC(C)CSCCCCC(C)C 62a_100011216152_100011216630 [0,2,0,0,0,0|2,0,0]=4 16481 B13R0.88 CCCC(C)CSCCCCC(C)C 62a_100011216630_100011216152 [0,2,0,0,0,0|2,0,0]=4 16482 B13R0.88 CCCC(C)NCCCCCB(O)O 2230a_100000741246_200009817188 [0,2,0,0,0,0|2,0,0]=4 16483 B13R0.88 CCCC(C)NCCCCCC(C)C 2230a_100000741246_100000210682 [0,2,0,0,0,0|2,0,0]=4 16484 B13R0.88 CCCC(C)NCCCCCC(C)C 2230a_100011290863_100000766640 [0,2,0,0,0,0|2,0,0]=4 16485 B13R0.88 CCCC(C)NCCCCCC(C)C 270004a_100011290863_100000211909 [0,2,0,0,0,0|2,0,0]=4 16486 B13R0.88 CCCC(C)NCCCCCC(C)C 34a_100011290863_100000766640 [0,2,0,0,0,0|2,0,0]=4 16487 B13R0.88 CCCC(C)OCCCCCB(O)O 34a_100000764384_200009817188 [0,2,0,0,0,0|2,0,0]=4 16488 B13R0.88 CCCC(C)OCCCCCB(O)O 7a_100000764384_200009817188 [0,2,0,0,0,0|2,0,0]=4 16489 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100000764384_100000210682 [0,2,0,0,0,0|2,0,0]=4 16490 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100011995859_100000766640 [0,2,0,0,0,0|2,0,0]=4 16491 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100000764384_100000210682 [0,2,0,0,0,0|2,0,0]=4 16492 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100011995859_100000766640 [0,2,0,0,0,0|2,0,0]=4 16493 B13R0.88 CCCC(C)SCCCCCB(O)O 62a_100000766640_200009817188 [0,2,0,0,0,0|2,0,0]=4 16494 B13R0.88 CCCC(C)SCCCCCB(O)O 62a_200009817188_100000766640 [0,2,0,0,0,0|2,0,0]=4 16495 B13R0.88 CCCC(C)SCCCCCC(C)C 62a_100000210682_100000766640 [0,2,0,0,0,0|2,0,0]=4 16496 B13R0.88 CCCC(C)SCCCCCC(C)C 62a_100000766640_100000210682 [0,2,0,0,0,0|2,0,0]=4 16497 B13R0.88 CCCN(C)CCCCCCB(O)O 2230a_100000747261_100009817187 [0,2,0,0,0,0|2,0,0]=4 16498 B13R0.88 CCCN(C)CCCCCCB(O)O 269982a_100000747261_100009817187 [0,2,0,0,0,0|2,0,0]=4 16499 B13R0.88 CCC[C@H](N)CCOCCCC(C)C 34a_100015193777_100011214892 [0,2,0,0,0,0|2,0,0]=4 16500 B13R0.88 CCC[C@H](N)CCOCCCC(C)O 34a_100015193777_200000718107 [0,2,0,0,0,0|1,0,0]=3 16501 B13R0.88 CCC[C@H](N)COCCCCB(O)O 34a_100000732646_200009817182 [0,2,0,0,0,0|2,0,0]=4 16502 B13R0.88 CCC[C@H](N)COCCCCC(C)C 34a_100000732646_100011216152 [0,2,0,0,0,0|2,0,0]=4 16503 B13R0.175 CCCC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747444 [0,2,0,0,0,0|1,0,1]=4 16504 B13R0.175 CCCC(C)CNC[C@H](C)CCCO 2230a_100160569302_100011216630 [0,2,0,0,0,0|1,0,0]=3 16505 B13R0.175 CCCC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000243154 [0,2,0,0,0,0|1,0,0]=3 16506 B13R0.175 CCCC(C)CNC[C@H](C)CCCO 34a_100160569302_100011216630 [0,2,0,0,0,0|1,0,0]=3 16507 B13R0.175 CCCCC(C)COCC(C)CCC 34a_100011995851_100011216630 [0,2,0,0,0,0|2,0,0]=4 16508 B13R0.175 CCCCC(C)COCC(C)CCC 7a_100011995851_100011216630 [0,2,0,0,0,0|2,0,0]=4 16509 B13R0.175 CCCCC(C)OCCC(C)CCC 34a_100011217855_200011215066 [0,2,0,0,0,0|2,0,0]=4 16510 B13R0.175 CCCCC(C)OCCC(C)CCC 7a_100011217855_200011215066 [0,2,0,0,0,0|2,0,0]=4 16511 B13R0.175 CCCCC(C)OCC[C@@H](N)CCC 34a_100015193777_200011215066 [0,2,0,0,0,0|2,0,0]=4 16512 B13R0.175 CCCC[C@H](N)COCC(C)CCC 34a_100011934283_100011216630 [0,2,0,0,0,0|2,0,0]=4 16513 B13R0.175 COCC(O)CNC[C@H](C)CCCO 34a_100160569302_100011215053 [0,2,0,0,0,0|2,0,0]=4 16514 B13R0.193 CC(CCO)OC[C@@H](N)CCCCN 34a_100016993712_100009893172 [0,2,0,0,0,0|2,0,0]=4 16515 B13R0.193 CCCC(C)CCC(C)NCCCF 270004a_100015189416_200011216527 [0,2,0,0,0,0|2,0,0]=4 16516 B13R0.193 CCCC(C)CCC(C)NCCCO 270004a_100000182051_200011216527 [0,2,0,0,0,0|1,0,0]=3 16517 B13R0.193 CCCC(C)OC[C@@H](N)CCCCN 34a_100016993712_100000766640 [0,2,0,0,0,0|2,0,0]=4 16518 B13R0.193 CCCCCC(=O)CN[C@H](C)CCO 2230a_100000706166_200012276598 [0,2,0,0,0,0|1,0,1]=4 16519 B13R0.193 CCCCCC(=O)CN[C@H](C)CCO 34a_100000706166_200012276598 [0,2,0,0,0,0|1,0,1]=4 16520 B13R0.193 CCCCCC(=O)CSC(C)CCO 62a_100009893172_200012276598 [0,2,0,0,0,0|1,0,1]=4 16521 B13R0.193 CCCCCC(=O)CSC(C)CCO 62a_200012276598_100009893172 [0,2,0,0,0,0|1,0,1]=4 16522 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,2,0,0,0,0|1,0,1]=4 16523 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [0,2,0,0,0,0|1,0,1]=4 16524 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [0,2,0,0,0,0|0,0,1]=3 16525 B13R0.193 CCCCCC(C)NCC(C)CCC 2230a_100000211957_100011216630 [0,2,0,0,0,0|2,0,0]=4 16526 B13R0.193 CCCCCC(C)NCC(C)CCC 270004a_100000211957_100000243154 [0,2,0,0,0,0|2,0,0]=4 16527 B13R0.193 CCCCCC(C)OCC(C)CCC 34a_100000688023_200011218191 [0,2,0,0,0,0|2,0,0]=4 16528 B13R0.193 CCCCCC(C)OCC(C)CCC 34a_100011215632_100011216630 [0,2,0,0,0,0|2,0,0]=4 16529 B13R0.193 CCCCCC(C)OCC(C)CCC 7a_100000688023_200011218191 [0,2,0,0,0,0|2,0,0]=4 16530 B13R0.193 CCCCCC(C)OCC(C)CCC 7a_100011215632_100011216630 [0,2,0,0,0,0|2,0,0]=4 16531 B13R0.193 CCCCCC(C)OCC(C)CCN 34a_106354213184_200011218191 [0,2,0,0,0,0|2,0,0]=4 16532 B13R0.193 CCCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011218191 [0,2,0,0,0,0|2,0,0]=4 16533 B13R0.193 CCCCCC(C)SCC(C)CCC 62a_100011216630_200011218191 [0,2,0,0,0,0|2,0,0]=4 16534 B13R0.193 CCCCCC(C)SCC(C)CCC 62a_200011218191_100011216630 [0,2,0,0,0,0|2,0,0]=4 16535 B13R0.193 CCCCCN(C)CCC(=O)CCO 1458a_100016987678_100000211926 [0,2,0,0,0,0|1,0,1]=4 16536 B13R0.193 CCCCNC(C)CCC(C)CCC 270004a_100000102301_200011216527 [0,2,0,0,0,0|2,0,0]=4 16537 B13R0.275 CC(CCO)C(=O)CCCCCCO 1458a_100011996774_100009893172 [0,2,0,0,0,0|1,0,1]=4 16538 B13R0.275 CC(CCO)N(C)CCCCCCF 2230a_100000731037_100015922095 [0,2,0,0,0,0|2,0,0]=4 16539 B13R0.275 CC(CCO)N(C)CCCCCCF 269982a_100000731037_100015922095 [0,2,0,0,0,0|2,0,0]=4 16540 B13R0.275 CC(CCO)N(C)CCCCCCO 2230a_100000731037_100000766143 [0,2,0,0,0,0|2,0,0]=4 16541 B13R0.275 CC(CCO)N(C)CCCCCCO 269982a_100000731037_100000766143 [0,2,0,0,0,0|2,0,0]=4 16542 B13R0.275 CCCC(C)C(=O)CCCCCCF 1458a_100000210906_100015922095 [0,2,0,0,0,0|1,0,1]=4 16543 B13R0.275 CCCC(C)C(=O)CCCCCCO 1458a_100000210906_100000766143 [0,2,0,0,0,0|0,0,1]=3 16544 B13R0.275 CCCC(C)C(=O)CCCCCCO 1458a_100011996774_100000766640 [0,2,0,0,0,0|0,0,1]=3 16545 B13R0.275 CCCC(C)C(=O)NCCCCCO 240690a_100000762737_100000210906 [0,2,0,0,0,0|1,0,1]=4 16546 B13R0.275 CCCC(C)C(C)NCCCCCO 270004a_100000762737_100011216282 [0,2,0,0,0,0|1,0,0]=3 16547 B13R0.275 CCCC(C)C(C)NCCOCCO 270004a_100000211614_100011216282 [0,2,0,0,0,0|2,0,0]=4 16548 B13R0.275 CCCC(C)C(C)NCCSCCO 270004a_100011219999_100011216282 [0,2,0,0,0,0|2,0,0]=4 16549 B13R0.275 CCCC(C)C(C)OCCCCCF 34a_100000708338_100000729378 [0,2,0,0,0,0|2,0,0]=4 16550 B13R0.275 CCCC(C)C(C)OCCCCCF 7a_100000708338_100000729378 [0,2,0,0,0,0|2,0,0]=4 16551 B13R0.275 CCCC(C)C(C)OCCCCCO 34a_100000708338_100000746330 [0,2,0,0,0,0|1,0,0]=3 16552 B13R0.275 CCCC(C)C(C)OCCCCCO 7a_100000708338_100000746330 [0,2,0,0,0,0|1,0,0]=3 16553 B13R0.275 CCCC(C)C(C)OCCOCCO 34a_100000708338_100000692535 [0,2,0,0,0,0|2,0,0]=4 16554 B13R0.275 CCCC(C)C(C)OCCOCCO 7a_100000708338_100011215305 [0,2,0,0,0,0|2,0,0]=4 16555 B13R0.275 CCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210614 [0,2,0,0,0,0|1,0,1]=4 16556 B13R0.275 CCCCCCCC(=O)C(C)CCC 1458a_100000211969_100000766640 [0,2,0,0,0,0|1,0,1]=4 16557 B13R0.275 CCCCCCCC(=O)C(C)CCO 1458a_100000211969_100009893172 [0,2,0,0,0,0|0,0,1]=3 16558 B13R0.275 CCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000211969 [0,2,0,0,0,0|1,0,1]=4 16559 B13R0.275 CCCCCCCC(=O)N(C)CCO 527a_100000210263_100000211969 [0,2,0,0,0,0|1,0,1]=4 16560 B13R0.275 CCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210614 [0,2,0,0,0,0|1,0,1]=4 16561 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [0,2,0,0,0,0|1,0,1]=4 16562 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [0,2,0,0,0,0|0,0,1]=3 16563 B13R0.275 CCCCCCCC(C)N(C)CCC 2230a_100000747261_200011218727 [0,2,0,0,0,0|2,0,0]=4 16564 B13R0.275 CCCCCCCC(C)N(C)CCC 269982a_100000747261_200011218727 [0,2,0,0,0,0|2,0,0]=4 16565 B13R0.275 CCCCCCCC(C)N(C)CCC 270004a_100000747261_100000210596 [0,2,0,0,0,0|2,0,0]=4 16566 B13R0.275 CCCCCCCC(C)N(C)CCO 2230a_100000210263_200011218727 [0,2,0,0,0,0|1,0,0]=3 16567 B13R0.275 CCCCCCCC(C)N(C)CCO 269982a_100000210263_200011218727 [0,2,0,0,0,0|1,0,0]=3 16568 B13R0.275 CCCCCCCC(C)N(C)CCO 270004a_100000210263_100000210596 [0,2,0,0,0,0|1,0,0]=3 16569 B13R0.275 CCCCCCCN(C)C(=O)CCO 240690a_100000228206_100011216618 [0,2,0,0,0,0|1,0,1]=4 16570 B13R0.275 CCCCCCCN(C)C(C)CCC 2230a_100000228206_100000766640 [0,2,0,0,0,0|2,0,0]=4 16571 B13R0.275 CCCCCCCN(C)C(C)CCC 269982a_100000228206_100000766640 [0,2,0,0,0,0|2,0,0]=4 16572 B13R0.275 CCCCCCCN(C)C(C)CCC 270004a_100000228206_100000211909 [0,2,0,0,0,0|2,0,0]=4 16573 B13R0.275 CCCCCCCN(C)C(C)CCO 2230a_100000228206_100009893172 [0,2,0,0,0,0|1,0,0]=3 16574 B13R0.275 CCCCCCCN(C)C(C)CCO 2230a_100000731037_100000210681 [0,2,0,0,0,0|1,0,0]=3 16575 B13R0.275 CCCCCCCN(C)C(C)CCO 269982a_100000228206_100009893172 [0,2,0,0,0,0|1,0,0]=3 16576 B13R0.275 CCCCCCCN(C)C(C)CCO 269982a_100000731037_100000210681 [0,2,0,0,0,0|1,0,0]=3 16577 B13R0.275 CCCCCCNC(C)C(C)CCC 270004a_100000210581_100011216282 [0,2,0,0,0,0|2,0,0]=4 16578 B13R0.275 CCCCCCOC(C)C(C)CCC 34a_100000708338_100000210314 [0,2,0,0,0,0|2,0,0]=4 16579 B13R0.275 CCCCCCOC(C)C(C)CCC 7a_100000708338_100000210314 [0,2,0,0,0,0|2,0,0]=4 16580 B13R0.275 CCCCOCCN(C)C(C)CCO 2230a_100000731037_100000743108 [0,2,0,0,0,0|2,0,0]=4 16581 B13R0.275 CCCCOCCN(C)C(C)CCO 269982a_100000731037_100000743108 [0,2,0,0,0,0|2,0,0]=4 16582 B13R0.275 CCCN(C)C(=O)CCCCCCO 240690a_100000747261_100011996774 [0,2,0,0,0,0|1,0,1]=4 16583 B13R0.275 CCC[C@H](O)C(=O)CCCCCCF 1458a_100009822183_100015922095 [0,2,0,0,0,0|1,0,1]=4 16584 B13R0.275 CCC[C@H](O)C(=O)CCCCCCO 1458a_100009822183_100000766143 [0,2,0,0,0,0|0,0,1]=3 16585 B13R0.275 CCC[C@H](O)C(=O)NCCCCCO 240690a_100000762737_100009822183 [0,2,0,0,0,0|1,0,1]=4 16586 B13R0.275 CCOC(C)C(=O)CCCCCCO 1458a_100000739345_100000766143 [0,2,0,0,0,0|1,0,1]=4 16587 B13R0.275 CCSC(C)C(=O)CCCCCCO 1458a_100000230601_100000766143 [0,2,0,0,0,0|1,0,1]=4 16588 B13R0.275 COCC(C)C(=O)CCCCCCO 1458a_100000751857_100000766143 [0,2,0,0,0,0|1,0,1]=4 16589 B13R0.275 COCC(C)C(=O)CCCCCCO 1458a_100011996774_100000765312 [0,2,0,0,0,0|1,0,1]=4 16590 B13R0.275 COCCCCCC(=O)C(C)CCO 1458a_100011935119_100009893172 [0,2,0,0,0,0|1,0,1]=4 16591 B13R0.275 CSCC(C)C(=O)CCCCCCO 1458a_100000753918_100000766143 [0,2,0,0,0,0|1,0,1]=4 16592 B13R0.282 C#CC(CCC)OCCCCCCC 34a_200011217317_100000210614 [0,2,0,0,0,0|2,0,0]=4 16593 B13R0.282 C#CC(CCC)OCCCCCCC 7a_200011217317_100000210614 [0,2,0,0,0,0|2,0,0]=4 16594 B13R0.282 C#CC(CCC)OCCCCCCF 34a_200011217317_100015922095 [0,2,0,0,0,0|2,0,0]=4 16595 B13R0.282 C#CC(CCC)OCCCCCCF 7a_200011217317_100015922095 [0,2,0,0,0,0|2,0,0]=4 16596 B13R0.282 C#CC(CCC)OCCCCCCO 34a_200011217317_100000766143 [0,2,0,0,0,0|1,0,0]=3 16597 B13R0.282 C#CC(CCC)OCCCCCCO 7a_200011217317_100000766143 [0,2,0,0,0,0|1,0,0]=3 16598 B13R0.282 C=CC(CCC)OCCCCCCC 34a_100011216692_100000210614 [0,2,0,0,0,0|2,0,0]=4 16599 B13R0.282 C=CC(CCC)OCCCCCCC 7a_100011216692_100000210614 [0,2,0,0,0,0|2,0,0]=4 16600 B13R0.282 C=CC(CCC)OCCCCCCF 34a_100011216692_100015922095 [0,2,0,0,0,0|2,0,0]=4 16601 B13R0.282 C=CC(CCC)OCCCCCCF 7a_100011216692_100015922095 [0,2,0,0,0,0|2,0,0]=4 16602 B13R0.282 C=CC(CCC)OCCCCCCO 34a_100011216692_100000766143 [0,2,0,0,0,0|1,0,0]=3 16603 B13R0.282 C=CC(CCC)OCCCCCCO 7a_100011216692_100000766143 [0,2,0,0,0,0|1,0,0]=3 16604 B13R0.282 CCC(COC)NCCCCCCO 2230a_100000757820_100000766143 [0,2,0,0,0,0|2,0,0]=4 16605 B13R0.282 CCC(COC)NCCCCCCO 270004a_100000686447_100000757811 [0,2,0,0,0,0|2,0,0]=4 16606 B13R0.282 CCC(COC)OCCCCCCO 7a_200011214946_100000766143 [0,2,0,0,0,0|2,0,0]=4 16607 B13R0.282 CCCC(C#N)OCCCCCCF 34a_100000686963_100015922095 [0,2,0,0,0,0|2,0,0]=4 16608 B13R0.282 CCCC(C#N)OCCCCCCF 7a_100000686963_100015922095 [0,2,0,0,0,0|2,0,0]=4 16609 B13R0.282 CCCC(C#N)OCCCCCCO 34a_100000686963_100000766143 [0,2,0,0,0,0|1,0,0]=3 16610 B13R0.282 CCCC(C#N)OCCCCCCO 7a_100000686963_100000766143 [0,2,0,0,0,0|1,0,0]=3 16611 B13R0.282 CCCC(CC)NCCCCCCF 2230a_100000747048_100015922095 [0,2,0,0,0,0|2,0,0]=4 16612 B13R0.282 CCCC(CC)NCCCCCCO 2230a_100000747048_100000766143 [0,2,0,0,0,0|1,0,0]=3 16613 B13R0.282 CCCC(CC)NCCCCCCO 270004a_100000686447_100000687865 [0,2,0,0,0,0|1,0,0]=3 16614 B13R0.282 CCCC(CC)OCCCCCCBr 7a_100011215345_100011219200 [0,2,0,0,0,0|2,0,0]=4 16615 B13R0.282 CCCC(CC)OCCCCCCCl 7a_100000766143_100011219200 [0,2,0,0,0,0|2,0,0]=4 16616 B13R0.282 CCCC(CC)OCCCCCCF 34a_100000687864_100015922095 [0,2,0,0,0,0|2,0,0]=4 16617 B13R0.282 CCCC(CC)OCCCCCCF 7a_100000687864_100015922095 [0,2,0,0,0,0|2,0,0]=4 16618 B13R0.282 CCCC(CC)OCCCCCCF 7a_100000732779_100011219200 [0,2,0,0,0,0|2,0,0]=4 16619 B13R0.282 CCCC(CC)OCCCCCCO 34a_100000687864_100000766143 [0,2,0,0,0,0|1,0,0]=3 16620 B13R0.282 CCCC(CC)OCCCCCCO 7a_100000687864_100000766143 [0,2,0,0,0,0|1,0,0]=3 16621 B13R0.282 CCCC(CC)SCCCCCCF 62a_100011219200_100015922095 [0,2,0,0,0,0|2,0,0]=4 16622 B13R0.282 CCCC(CC)SCCCCCCF 62a_100015922095_100011219200 [0,2,0,0,0,0|2,0,0]=4 16623 B13R0.282 CCCC(CC)SCCCCCCO 62a_100000766143_100011219200 [0,2,0,0,0,0|1,0,0]=3 16624 B13R0.282 CCCC(CC)SCCCCCCO 62a_100011219200_100000766143 [0,2,0,0,0,0|1,0,0]=3 16625 B13R0.282 CCCC(CCOCCCCF)SC 34a_100000032865_100000729493 [0,2,0,0,0,0|2,0,0]=4 16626 B13R0.282 CCCC(CCOCCCCF)SC 7a_100000032865_100000729493 [0,2,0,0,0,0|2,0,0]=4 16627 B13R0.282 CCCC(CCOCCCCO)SC 34a_100000032865_100011216708 [0,2,0,0,0,0|1,0,0]=3 16628 B13R0.282 CCCC(CCOCCCCO)SC 7a_100000032865_100000210776 [0,2,0,0,0,0|1,0,0]=3 16629 B13R0.282 CCCCCCCCC(CC)NCC 270004a_100015525214_200011217995 [0,2,0,0,0,0|2,0,0]=4 16630 B13R0.282 CCCCCCCCC(CC)OCC 34a_200011216270_100000210202 [0,2,0,0,0,0|2,0,0]=4 16631 B13R0.282 CCCCCCCCC(CC)OCC 7a_200011216270_100000210202 [0,2,0,0,0,0|2,0,0]=4 16632 B13R0.282 CCCCCCCCC(CC)OCF 34a_200011216270_100015361967 [0,2,0,0,0,0|2,0,0]=4 16633 B13R0.282 CCCCCCCCC(CC)OCF 7a_200011216270_100015361967 [0,2,0,0,0,0|2,0,0]=4 16634 B13R0.282 CCCCCCCCC(CCC)NC 270004a_106832991635_200011216056 [0,2,0,0,0,0|1,0,0]=3 16635 B13R0.282 CCCCCCCCC(CCC)OC 34a_200011218034_200000210301 [0,2,0,0,0,0|1,0,0]=3 16636 B13R0.282 CCCCCCCCC(CCC)OC 7a_200011218034_200000210301 [0,2,0,0,0,0|1,0,0]=3 16637 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 34a_200011218034_200025704644 [0,2,0,0,0,0|1,0,0]=3 16638 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 7a_200011218034_200025704644 [0,2,0,0,0,0|1,0,0]=3 16639 B13R0.282 CCCCCCCCN(CC)CCC 2230a_100000226822_100000210759 [0,2,0,0,0,0|2,0,0]=4 16640 B13R0.282 CCCCCCCCN(CC)CCC 269982a_100000226822_100000210759 [0,2,0,0,0,0|2,0,0]=4 16641 B13R0.282 CCCCCCCCN(CC)CCO 2230a_100000210973_100000210759 [0,2,0,0,0,0|1,0,0]=3 16642 B13R0.282 CCCCCCCCN(CC)CCO 269982a_100000210973_100000210759 [0,2,0,0,0,0|1,0,0]=3 16643 B13R0.282 CCCCCCCNC(CC)CCC 2230a_100000747048_100000210681 [0,2,0,0,0,0|2,0,0]=4 16644 B13R0.282 CCCCCCCNC(CC)CCC 270004a_100000229938_100000687865 [0,2,0,0,0,0|2,0,0]=4 16645 B13R0.282 CCCCCCCN[C@H](CO)CCC 2230a_100000732646_100000210681 [0,2,0,0,0,0|2,0,0]=4 16646 B13R0.282 CCCCCCCN[C@H](CO)CCC 34a_100000732646_100000210614 [0,2,0,0,0,0|2,0,0]=4 16647 B13R0.282 CCCCCCCOC(C#N)CCC 34a_100000686963_100000210614 [0,2,0,0,0,0|2,0,0]=4 16648 B13R0.282 CCCCCCCOC(C#N)CCC 7a_100000686963_100000210614 [0,2,0,0,0,0|2,0,0]=4 16649 B13R0.282 CCCCCCCOC(CC)CCC 34a_100000687864_100000210614 [0,2,0,0,0,0|2,0,0]=4 16650 B13R0.282 CCCCCCCOC(CC)CCC 7a_100000210272_100011219200 [0,2,0,0,0,0|2,0,0]=4 16651 B13R0.282 CCCCCCCOC(CC)CCC 7a_100000687864_100000210614 [0,2,0,0,0,0|2,0,0]=4 16652 B13R0.282 CCCCCCCSC(CC)CCC 62a_100000210614_100011219200 [0,2,0,0,0,0|2,0,0]=4 16653 B13R0.282 CCCCCCCSC(CC)CCC 62a_100011219200_100000210316 [0,2,0,0,0,0|2,0,0]=4 16654 B13R0.282 CCCCCOCCC(CCC)SC 34a_100000032865_100000718602 [0,2,0,0,0,0|2,0,0]=4 16655 B13R0.282 CCCCCOCCC(CCC)SC 7a_100000032865_100000210326 [0,2,0,0,0,0|2,0,0]=4 16656 B13R0.282 CCCN(CC)CCCCCCCO 2230a_100000226822_100000760002 [0,2,0,0,0,0|1,0,0]=3 16657 B13R0.282 CCCN(CC)CCCCCCCO 269982a_100000226822_100000760002 [0,2,0,0,0,0|1,0,0]=3 16658 B13R0.282 CCC[C@@H](CO)NCCCCCCF 2230a_100000732646_100015922095 [0,2,0,0,0,0|2,0,0]=4 16659 B13R0.282 CCC[C@@H](CO)NCCCCCCF 34a_100000732646_100015922095 [0,2,0,0,0,0|2,0,0]=4 16660 B13R0.282 CCC[C@@H](CO)NCCCCCCO 2230a_100000732646_100000766143 [0,2,0,0,0,0|1,0,0]=3 16661 B13R0.282 CCC[C@@H](CO)NCCCCCCO 34a_100000732646_100000766143 [0,2,0,0,0,0|1,0,0]=3 16662 B13R0.282 CCN(CCO)CCCCCCCO 2230a_100000210973_100000760002 [0,2,0,0,0,0|2,0,0]=4 16663 B13R0.282 CCN(CCO)CCCCCCCO 269982a_100000210973_100000760002 [0,2,0,0,0,0|2,0,0]=4 16664 B13R0.282 CCN(CCO)CCCCCCOC 2230a_100000210973_100011998445 [0,2,0,0,0,0|2,0,0]=4 16665 B13R0.282 CCN(CCO)CCCCCCOC 269982a_100000210973_100011998445 [0,2,0,0,0,0|2,0,0]=4 16666 B13R0.282 CCOC(CC)CNCCCCCO 2230a_100015183923_100000746330 [0,2,0,0,0,0|2,0,0]=4 16667 B13R0.282 CCOC(CC)CNCCCCCO 34a_100015183923_100000746330 [0,2,0,0,0,0|2,0,0]=4 16668 B13R0.282 COCC(CCl)OCCCCCCO 34a_100011215053_100000766143 [0,2,0,0,0,0|2,0,0]=4 16669 B13R0.282 COCC(CN)OCCCCCCO 34a_100000756049_100000766143 [0,2,0,0,0,0|2,0,0]=4 16670 B13R0.282 COCC(CO)NCCCCCCO 2230a_100000724102_100000766143 [0,2,0,0,0,0|2,0,0]=4 16671 B13R0.282 COCC(CO)NCCCCCCO 34a_100000724102_100000766143 [0,2,0,0,0,0|2,0,0]=4 16672 B13R0.330 C=C(CCC)CC(=O)CCCCCO 1458a_100000138376_100000746330 [0,2,0,0,0,0|0,0,2]=4 16673 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [0,2,0,0,0,0|0,0,2]=4 16674 B13R0.330 CCCC(=O)CN(C)CCCCCO 2230a_100000722520_100000747444 [0,2,0,0,0,0|1,0,1]=4 16675 B13R0.330 CCCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747444 [0,2,0,0,0,0|1,0,1]=4 16676 B13R0.330 CCCC(C)CC(=O)CCCCCF 1458a_100000748435_100000729378 [0,2,0,0,0,0|1,0,1]=4 16677 B13R0.330 CCCC(C)CC(=O)CCCCCO 1458a_100000748435_100000746330 [0,2,0,0,0,0|0,0,1]=3 16678 B13R0.330 CCCC(C)CC(=O)CCCCCO 1458a_100102619762_100011216630 [0,2,0,0,0,0|0,0,1]=3 16679 B13R0.330 CCCC(C)CC(=O)CCOCCO 1458a_100000748435_100011215305 [0,2,0,0,0,0|1,0,1]=4 16680 B13R0.330 CCCC(C)CC(=O)CCOCCO 1458a_100011229844_100011216630 [0,2,0,0,0,0|1,0,1]=4 16681 B13R0.330 CCCC(C)CC(=O)NCCCCO 240690a_100000750430_100000748435 [0,2,0,0,0,0|1,0,1]=4 16682 B13R0.330 CCCC(C)CC(=O)NCCCCO 527a_100000750430_100000748435 [0,2,0,0,0,0|1,0,1]=4 16683 B13R0.330 CCCC(C)CN(C)CCCCCO 2230a_100000722520_100011216630 [0,2,0,0,0,0|1,0,0]=3 16684 B13R0.330 CCCC(C)CN(C)CCCCCO 269982a_100000722520_100011216630 [0,2,0,0,0,0|1,0,0]=3 16685 B13R0.330 CCCC(C)CN(C)CCCCCO 270004a_100000722520_100000243154 [0,2,0,0,0,0|1,0,0]=3 16686 B13R0.330 CCCC(C)CN(C)CCOCCO 2230a_100000228057_100011216630 [0,2,0,0,0,0|2,0,0]=4 16687 B13R0.330 CCCC(C)CN(C)CCOCCO 269982a_100000228057_100011216630 [0,2,0,0,0,0|2,0,0]=4 16688 B13R0.330 CCCC(C)CN(C)CCOCCO 270004a_100000228057_100000243154 [0,2,0,0,0,0|2,0,0]=4 16689 B13R0.330 CCCC(C)NC(=O)CCCCCO 240690a_100000741246_100102619762 [0,2,0,0,0,0|1,0,1]=4 16690 B13R0.330 CCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210757 [0,2,0,0,0,0|1,0,1]=4 16691 B13R0.330 CCCCCCC(=O)CC(C)CCC 1458a_100102632555_100011216630 [0,2,0,0,0,0|1,0,1]=4 16692 B13R0.330 CCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100102632555 [0,2,0,0,0,0|1,0,1]=4 16693 B13R0.330 CCCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100102632555 [0,2,0,0,0,0|1,0,1]=4 16694 B13R0.330 CCCCCCC(C)NC(=O)CCO 240690a_100000210919_100011216618 [0,2,0,0,0,0|1,0,1]=4 16695 B13R0.330 CCCCCCC(C)NC(C)CCC 2230a_100000210919_100000766640 [0,2,0,0,0,0|2,0,0]=4 16696 B13R0.330 CCCCCCC(C)NC(C)CCC 2230a_100000741246_100011215978 [0,2,0,0,0,0|2,0,0]=4 16697 B13R0.330 CCCCCCC(C)NC(C)CCC 270004a_100000210919_100000211909 [0,2,0,0,0,0|2,0,0]=4 16698 B13R0.330 CCCCCCC(C)NC(C)CCC 270004a_100000741246_100000210826 [0,2,0,0,0,0|2,0,0]=4 16699 B13R0.330 CCCCCCC(C)NC(C)CCC 34a_100000210919_100000766640 [0,2,0,0,0,0|2,0,0]=4 16700 B13R0.330 CCCCCCC(C)NC(C)CCO 2230a_100000210919_100009893172 [0,2,0,0,0,0|1,0,0]=3 16701 B13R0.330 CCCCCCC(C)NC(C)CCO 34a_100000210919_100009893172 [0,2,0,0,0,0|1,0,0]=3 16702 B13R0.330 CCCCCCC(C)N[C@H](C)CCO 2230a_100000706166_100011215978 [0,2,0,0,0,0|1,0,0]=3 16703 B13R0.330 CCCCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000210826 [0,2,0,0,0,0|1,0,0]=3 16704 B13R0.330 CCCCCCC(C)N[C@H](C)CCO 34a_100000706166_100011215978 [0,2,0,0,0,0|1,0,0]=3 16705 B13R0.330 CCCCCCC(C)OC(C)CCBr 34a_100012276601_100011215978 [0,2,0,0,0,0|2,0,0]=4 16706 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000210265_100000766640 [0,2,0,0,0,0|2,0,0]=4 16707 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000764384_100011215978 [0,2,0,0,0,0|2,0,0]=4 16708 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000210265_100000766640 [0,2,0,0,0,0|2,0,0]=4 16709 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000764384_100011215978 [0,2,0,0,0,0|2,0,0]=4 16710 B13R0.330 CCCCCCC(C)OC(C)CCO 34a_100000210265_100009893172 [0,2,0,0,0,0|1,0,0]=3 16711 B13R0.330 CCCCCCC(C)OC(C)CCO 7a_100000210265_100009893172 [0,2,0,0,0,0|1,0,0]=3 16712 B13R0.330 CCCCCCC(C)SC(C)CCC 62a_100000766640_100011215978 [0,2,0,0,0,0|2,0,0]=4 16713 B13R0.330 CCCCCCC(C)SC(C)CCC 62a_100011215978_100000766640 [0,2,0,0,0,0|2,0,0]=4 16714 B13R0.330 CCCCCCC(C)SC(C)CCO 62a_100009893172_100011215978 [0,2,0,0,0,0|1,0,0]=3 16715 B13R0.330 CCCCCCC(C)SC(C)CCO 62a_100011215978_100009893172 [0,2,0,0,0,0|1,0,0]=3 16716 B13R0.330 CCCCCCN(C)CC(C)CCC 2230a_106256046315_100011216630 [0,2,0,0,0,0|2,0,0]=4 16717 B13R0.330 CCCCCCN(C)CC(C)CCC 269982a_106256046315_100011216630 [0,2,0,0,0,0|2,0,0]=4 16718 B13R0.330 CCCCCCN(C)CC(C)CCC 270004a_106256046315_100000243154 [0,2,0,0,0,0|2,0,0]=4 16719 B13R0.330 CCCCOCC(C)OC(C)CCO 34a_100011217071_100009893172 [0,2,0,0,0,0|2,0,0]=4 16720 B13R0.330 CCCCOCC(C)OC(C)CCO 7a_100011217071_100009893172 [0,2,0,0,0,0|2,0,0]=4 16721 B13R0.330 CCCS(=O)CC(=O)CCCCCO 1458a_100011387404_100000746330 [0,2,0,0,0,0|1,0,1]=4 16722 B13R0.330 CCSC(C)CC(=O)CCCCCO 1458a_200011311441_100000746330 [0,2,0,0,0,0|1,0,1]=4 16723 B13R0.330 COCC(O)CN(C)CCCCCO 2230a_100000739405_100000746330 [0,2,0,0,0,0|2,0,0]=4 16724 B13R0.330 COCC(O)CN(C)CCCCCO 269982a_100000739405_100000746330 [0,2,0,0,0,0|2,0,0]=4 16725 B13R0.335 C=C(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748629 [0,2,0,0,0,0|0,0,2]=4 16726 B13R0.335 C=C(C)CN(C)CCCCCCCO 2230a_100000225649_100000760002 [0,2,0,0,0,0|1,0,1]=4 16727 B13R0.335 C=C(C)CN(C)CCCCCCCO 269982a_100000225649_100000760002 [0,2,0,0,0,0|1,0,1]=4 16728 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100000210554_100000760002 [0,2,0,0,0,0|0,0,1]=3 16729 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000210624 [0,2,0,0,0,0|0,0,1]=3 16730 B13R0.335 CC(C)CC(=O)NCCCCCCO 240690a_100000686447_100000210554 [0,2,0,0,0,0|1,0,1]=4 16731 B13R0.335 CC(C)CC(=O)NCCCCCCO 527a_100000686447_100000210554 [0,2,0,0,0,0|1,0,1]=4 16732 B13R0.335 CC(C)CC(C)NCCCCCCF 2230a_100000692259_100015922095 [0,2,0,0,0,0|2,0,0]=4 16733 B13R0.335 CC(C)CC(C)NCCCCCCO 2230a_100000686447_100000731052 [0,2,0,0,0,0|1,0,0]=3 16734 B13R0.335 CC(C)CC(C)NCCCCCCO 2230a_100000692259_100000766143 [0,2,0,0,0,0|1,0,0]=3 16735 B13R0.335 CC(C)CC(C)NCCCCCCO 34a_100000686447_100000731052 [0,2,0,0,0,0|1,0,0]=3 16736 B13R0.335 CC(C)CC(C)OCCCCCCBr 34a_100011215345_100000731052 [0,2,0,0,0,0|2,0,0]=4 16737 B13R0.335 CC(C)CC(C)OCCCCCCBr 7a_100011215345_100000731052 [0,2,0,0,0,0|2,0,0]=4 16738 B13R0.335 CC(C)CC(C)OCCCCCCCl 34a_100000766143_100000731052 [0,2,0,0,0,0|2,0,0]=4 16739 B13R0.335 CC(C)CC(C)OCCCCCCCl 7a_100000766143_100000731052 [0,2,0,0,0,0|2,0,0]=4 16740 B13R0.335 CC(C)CC(C)OCCCCCCF 34a_100000211805_100015922095 [0,2,0,0,0,0|2,0,0]=4 16741 B13R0.335 CC(C)CC(C)OCCCCCCF 34a_100000732779_100000731052 [0,2,0,0,0,0|2,0,0]=4 16742 B13R0.335 CC(C)CC(C)OCCCCCCF 7a_100000211805_100015922095 [0,2,0,0,0,0|2,0,0]=4 16743 B13R0.335 CC(C)CC(C)OCCCCCCF 7a_100000732779_100000731052 [0,2,0,0,0,0|2,0,0]=4 16744 B13R0.335 CC(C)CC(C)OCCCCCCN 34a_100000686447_100000731052 [0,2,0,0,0,0|2,0,0]=4 16745 B13R0.335 CC(C)CC(C)OCCCCCCO 34a_100000211805_100000766143 [0,2,0,0,0,0|1,0,0]=3 16746 B13R0.335 CC(C)CC(C)OCCCCCCO 7a_100000211805_100000766143 [0,2,0,0,0,0|1,0,0]=3 16747 B13R0.335 CC(C)CC(C)SCCCCCCF 62a_100000731052_100015922095 [0,2,0,0,0,0|2,0,0]=4 16748 B13R0.335 CC(C)CC(C)SCCCCCCF 62a_100015922095_100000731052 [0,2,0,0,0,0|2,0,0]=4 16749 B13R0.335 CC(C)CC(C)SCCCCCCO 62a_100000731052_100000766143 [0,2,0,0,0,0|1,0,0]=3 16750 B13R0.335 CC(C)CC(C)SCCCCCCO 62a_100000766143_100000731052 [0,2,0,0,0,0|1,0,0]=3 16751 B13R0.335 CC(C)CN(C)CCCCCCCO 2230a_100000747067_100000760002 [0,2,0,0,0,0|1,0,0]=3 16752 B13R0.335 CC(C)CN(C)CCCCCCCO 269982a_100000747067_100000760002 [0,2,0,0,0,0|1,0,0]=3 16753 B13R0.335 CC(C)C[C@H](N)CCOCCCCF 34a_100161151251_100000729493 [0,2,0,0,0,0|2,0,0]=4 16754 B13R0.335 CC(C)C[C@H](N)CCOCCCCO 34a_100161151251_100011216708 [0,2,0,0,0,0|1,0,0]=3 16755 B13R0.335 CC(C)C[C@H](N)COCCCCCF 34a_100011830311_100000729378 [0,2,0,0,0,0|2,0,0]=4 16756 B13R0.335 CC(C)C[C@H](N)COCCCCCO 34a_100011830311_100000746330 [0,2,0,0,0,0|1,0,0]=3 16757 B13R0.335 CC(C)C[C@H](N)COCCOCCO 34a_100011830311_100000692535 [0,2,0,0,0,0|2,0,0]=4 16758 B13R0.335 CC(C)NC(=O)CCCCCCCO 240690a_100138425928_100011219782 [0,2,0,0,0,0|1,0,1]=4 16759 B13R0.335 CC(CN(C)C)SCCCCCCO 62a_100000766143_100020606517 [0,2,0,0,0,0|2,0,0]=4 16760 B13R0.335 CC(CN(C)C)SCCCCCCO 62a_100020606517_100000766143 [0,2,0,0,0,0|2,0,0]=4 16761 B13R0.335 CC(CNCCCCCO)CN(C)C 2230a_100000762737_100015348159 [0,2,0,0,0,0|2,0,0]=4 16762 B13R0.335 CC(CSCCCCCO)CN(C)C 62a_100000746330_100015348159 [0,2,0,0,0,0|2,0,0]=4 16763 B13R0.335 CC(CSCCCCCO)CN(C)C 62a_100015348159_100000746330 [0,2,0,0,0,0|2,0,0]=4 16764 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [0,2,0,0,0,0|0,0,1]=3 16765 B13R0.335 CC(O)CN(C)CCCCCCCO 2230a_100000227577_100000760002 [0,2,0,0,0,0|1,0,0]=3 16766 B13R0.335 CC(O)CN(C)CCCCCCCO 269982a_100000227577_100000760002 [0,2,0,0,0,0|1,0,0]=3 16767 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,2,0,0,0,0|1,0,1]=4 16768 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,2,0,0,0,0|1,0,1]=4 16769 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,2,0,0,0,0|0,0,1]=3 16770 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [0,2,0,0,0,0|1,0,1]=4 16771 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,2,0,0,0,0|0,0,1]=3 16772 B13R0.335 CCCCCCCCC(C)CN(C)C 270004a_100102631434_100011995885 [0,2,0,0,0,0|2,0,0]=4 16773 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,2,0,0,0,0|2,0,0]=4 16774 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,2,0,0,0,0|2,0,0]=4 16775 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|1,0,1]=4 16776 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000207567_100000210760 [0,2,0,0,0,0|2,0,0]=4 16777 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000747067_100000210759 [0,2,0,0,0,0|2,0,0]=4 16778 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000207567_100000210624 [0,2,0,0,0,0|2,0,0]=4 16779 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000747067_100000210759 [0,2,0,0,0,0|2,0,0]=4 16780 B13R0.335 CCCCCCCCN(C)CC(C)C 270004a_100000207567_100000210432 [0,2,0,0,0,0|2,0,0]=4 16781 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [0,2,0,0,0,0|1,0,0]=3 16782 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [0,2,0,0,0,0|1,0,0]=3 16783 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [0,2,0,0,0,0|1,0,0]=3 16784 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [0,2,0,0,0,0|1,0,0]=3 16785 B13R0.335 CCCCCCCCN(C)CC(F)F 2230a_100000207567_100011934356 [0,2,0,0,0,0|2,0,0]=4 16786 B13R0.335 CCCCCCCCN(C)CC(F)F 269982a_100000207567_100011934356 [0,2,0,0,0,0|2,0,0]=4 16787 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [0,2,0,0,0,0|1,0,0]=3 16788 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [0,2,0,0,0,0|1,0,0]=3 16789 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [0,2,0,0,0,0|1,0,1]=4 16790 B13R0.335 CCCCCCCNC(C)CC(C)C 2230a_100000229938_100000731052 [0,2,0,0,0,0|2,0,0]=4 16791 B13R0.335 CCCCCCCNC(C)CC(C)C 2230a_100000692259_100000210681 [0,2,0,0,0,0|2,0,0]=4 16792 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000210272_100000731052 [0,2,0,0,0,0|2,0,0]=4 16793 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000211805_100000210614 [0,2,0,0,0,0|2,0,0]=4 16794 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000210272_100000731052 [0,2,0,0,0,0|2,0,0]=4 16795 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000211805_100000210614 [0,2,0,0,0,0|2,0,0]=4 16796 B13R0.335 CCCCCCCSC(C)CC(C)C 62a_100000210614_100000731052 [0,2,0,0,0,0|2,0,0]=4 16797 B13R0.335 CCCCCCCSC(C)CC(C)C 62a_100000731052_100000210316 [0,2,0,0,0,0|2,0,0]=4 16798 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|1,0,1]=4 16799 B13R0.335 CCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210314 [0,2,0,0,0,0|2,0,0]=4 16800 B13R0.335 CCCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000718602 [0,2,0,0,0,0|2,0,0]=4 16801 B13R0.335 CN(C)CC(=O)CCCCCCCO 1458a_100000750896_100000760002 [0,2,0,0,0,0|1,0,1]=4 16802 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [0,2,0,0,0,0|1,0,1]=4 16803 B13R0.335 COCCCCCCN(C)CC(C)O 2230a_100000227577_100011998445 [0,2,0,0,0,0|2,0,0]=4 16804 B13R0.335 COCCCCCCN(C)CC(C)O 269982a_100000227577_100011998445 [0,2,0,0,0,0|2,0,0]=4 16805 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [0,2,0,0,0,0|0,0,1]=3 16806 B13R0.335 C[C@@H](O)CC(=O)NCCCCCCO 240690a_100000686447_100011933948 [0,2,0,0,0,0|1,0,1]=4 16807 B13R0.335 C[S+](C)CC(=O)CCCCCCCO 1458a_200159257847_100000760002 [0,2,0,0,0,0|1,0,1]=4 16808 B13R0.335 O=C(CCCCCCCO)CC(F)F 1458a_100011219782_100011934356 [0,2,0,0,0,0|1,0,1]=4 16809 B13R0.340 CC(CO)N(C)CCCCCCCO 2230a_100000693034_100000760002 [0,2,0,0,0,0|2,0,0]=4 16810 B13R0.340 CC(CO)N(C)CCCCCCCO 269982a_100000693034_100000760002 [0,2,0,0,0,0|2,0,0]=4 16811 B13R0.340 CCC(=O)C(C)NCCCCCCO 2230a_100000686447_100000742827 [0,2,0,0,0,0|1,0,1]=4 16812 B13R0.340 CCC(=O)C(C)SCCCCCCO 62a_100000742827_100000766143 [0,2,0,0,0,0|1,0,1]=4 16813 B13R0.340 CCC(=O)C(C)SCCCCCCO 62a_100000766143_100000742827 [0,2,0,0,0,0|1,0,1]=4 16814 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011192722_100000760002 [0,2,0,0,0,0|0,0,1]=3 16815 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000758301 [0,2,0,0,0,0|0,0,1]=3 16816 B13R0.340 CCC(C)C(=O)NCCCCCCO 240690a_100000686447_100011192722 [0,2,0,0,0,0|1,0,1]=4 16817 B13R0.340 CCC(C)C(=O)NCCCCCCO 527a_100000686447_100011192722 [0,2,0,0,0,0|1,0,1]=4 16818 B13R0.340 CCC(C)C(C)NCCCCCCO 269862a_100000686447_100000210599 [0,2,0,0,0,0|1,0,0]=3 16819 B13R0.340 CCC(C)C(C)NCCCCCCO 270004a_100000686447_100000210599 [0,2,0,0,0,0|1,0,0]=3 16820 B13R0.340 CCC(C)C(C)OCCCCCCF 7a_100011215189_100015922095 [0,2,0,0,0,0|2,0,0]=4 16821 B13R0.340 CCC(C)C(C)OCCCCCCO 7a_100011215189_100000766143 [0,2,0,0,0,0|1,0,0]=3 16822 B13R0.340 CCC(C)N(C)CCCCCCCO 2230a_100000741768_100000760002 [0,2,0,0,0,0|1,0,0]=3 16823 B13R0.340 CCC(C)N(C)CCCCCCCO 269982a_100000741768_100000760002 [0,2,0,0,0,0|1,0,0]=3 16824 B13R0.340 CCC(O)C(=O)CCCCCCCO 1458a_100011196387_100000760002 [0,2,0,0,0,0|0,0,1]=3 16825 B13R0.340 CCC(O)C(=O)NCCCCCCO 240690a_100000686447_100011196387 [0,2,0,0,0,0|1,0,1]=4 16826 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [0,2,0,0,0,0|1,0,1]=4 16827 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [0,2,0,0,0,0|1,0,1]=4 16828 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [0,2,0,0,0,0|1,0,1]=4 16829 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [0,2,0,0,0,0|0,0,1]=3 16830 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,2,0,0,0,0|1,0,1]=4 16831 B13R0.340 CCCCCCCCC(O)C(=O)CF 1458a_200011995895_100015361967 [0,2,0,0,0,0|1,0,1]=4 16832 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,2,0,0,0,0|1,0,1]=4 16833 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,2,0,0,0,0|1,0,1]=4 16834 B13R0.340 CCCCCCCCN(C)C(C)CC 2230a_100000207567_100000758301 [0,2,0,0,0,0|2,0,0]=4 16835 B13R0.340 CCCCCCCCN(C)C(C)CC 2230a_100000741768_100000210759 [0,2,0,0,0,0|2,0,0]=4 16836 B13R0.340 CCCCCCCCN(C)C(C)CC 269982a_100000207567_100000758301 [0,2,0,0,0,0|2,0,0]=4 16837 B13R0.340 CCCCCCCCN(C)C(C)CC 269982a_100000741768_100000210759 [0,2,0,0,0,0|2,0,0]=4 16838 B13R0.340 CCCCCCCCN(C)C(C)CO 2230a_100000207567_100012180447 [0,2,0,0,0,0|1,0,0]=3 16839 B13R0.340 CCCCCCCCN(C)C(C)CO 2230a_100000693034_100000210759 [0,2,0,0,0,0|1,0,0]=3 16840 B13R0.340 CCCCCCCCN(C)C(C)CO 269982a_100000693034_100000210759 [0,2,0,0,0,0|1,0,0]=3 16841 B13R0.340 CCCCCCCCN(C)[C@H](C)CO 269982a_100000207567_100016084084 [0,2,0,0,0,0|1,0,0]=3 16842 B13R0.340 CCCCCCCNC(=O)C(O)CO 240690a_100000229938_100011215603 [0,2,0,0,0,0|1,0,1]=4 16843 B13R0.340 CCCCCCCNC(C)C(C)CC 269862a_100000229938_100000210599 [0,2,0,0,0,0|2,0,0]=4 16844 B13R0.340 CCCCCCCNC(C)C(C)CC 270004a_100000229938_100000210599 [0,2,0,0,0,0|2,0,0]=4 16845 B13R0.340 CCCCCCCOC(C)C(C)CC 7a_100011215189_100000210614 [0,2,0,0,0,0|2,0,0]=4 16846 B13R0.340 CCN(C)C(=O)CCCCCCCO 240690a_100000225621_100011219782 [0,2,0,0,0,0|1,0,1]=4 16847 B13R0.340 CCN(C)C(C)COCCCCCO 7a_100000732741_100000746330 [0,2,0,0,0,0|2,0,0]=4 16848 B13R0.340 COC(C)C(=O)CCCCCCCO 1458a_100000743197_100000760002 [0,2,0,0,0,0|1,0,1]=4 16849 B13R0.340 COCCCCCCC(=O)C(O)CO 1458a_100011215603_100011998445 [0,2,0,0,0,0|1,0,1]=4 16850 B13R0.340 COCCCCCCN(C)C(C)CO 2230a_100000693034_100011998445 [0,2,0,0,0,0|2,0,0]=4 16851 B13R0.340 COCCCCCCN(C)C(C)CO 269982a_100000693034_100011998445 [0,2,0,0,0,0|2,0,0]=4 16852 B13R0.340 CSC(C)C(=O)CCCCCCCO 1458a_100000149566_100000760002 [0,2,0,0,0,0|1,0,1]=4 16853 B13R0.340 O=C(CCCCCCCO)C(O)CO 1458a_100011215603_100000760002 [0,2,0,0,0,0|1,0,1]=4 16854 B13R0.367 CCCC(C)CCCOC(C)CCC 34a_100011713154_100000766640 [0,2,0,0,0,0|2,0,0]=4 16855 B13R0.367 CCCC(C)CCCOC(C)CCC 7a_100011713154_100000766640 [0,2,0,0,0,0|2,0,0]=4 16856 B13R0.367 CCCC(C)CCCOC(C)CCO 34a_100011713154_100009893172 [0,2,0,0,0,0|1,0,0]=3 16857 B13R0.367 CCCC(C)CCCOC(C)CCO 7a_100011713154_100009893172 [0,2,0,0,0,0|1,0,0]=3 16858 B13R0.367 CCCC(C)CCOCC(C)CCC 34a_100011217855_100011216630 [0,2,0,0,0,0|2,0,0]=4 16859 B13R0.367 CCCC(C)CCOCC(C)CCC 7a_100011217855_100011216630 [0,2,0,0,0,0|2,0,0]=4 16860 B13R0.367 CCCC(C)COCC[C@@H](N)CCC 34a_100015193777_100011216630 [0,2,0,0,0,0|2,0,0]=4 16861 B13R0.1338 CC(C)(CCBr)OCCCCCCO 7a_100000702414_100000766143 [0,2,0,0,0,0|2,0,0]=4 16862 B13R0.1338 CCCC(C)(C)COCCCCCF 7a_100011995695_100000729378 [0,2,0,0,0,0|2,0,0]=4 16863 B13R0.1338 CCCC(C)(C)COCCCCCO 7a_100011995695_100000746330 [0,2,0,0,0,0|1,0,0]=3 16864 B13R0.1338 CCCC(C)(C)COCCOCCO 7a_100011995695_100011215305 [0,2,0,0,0,0|2,0,0]=4 16865 B13R0.1338 CCCC(C)(C)OCCCCCCF 7a_100000748436_100015922095 [0,2,0,0,0,0|2,0,0]=4 16866 B13R0.1338 CCCC(C)(C)OCCCCCCO 7a_100000748436_100000766143 [0,2,0,0,0,0|1,0,0]=3 16867 B13R0.1338 CCCCCCCOC(C)(C)CCBr 7a_100000702414_100000210614 [0,2,0,0,0,0|2,0,0]=4 16868 B13R0.1338 CCCCCCCOC(C)(C)CCC 7a_100000748436_100000210614 [0,2,0,0,0,0|2,0,0]=4 16869 B13R0.1338 CCCCCCOCC(C)(C)CCC 7a_100011995695_100000210314 [0,2,0,0,0,0|2,0,0]=4 16870 B13R0.1338 CCCCCCOC[N+](C)(C)CCO 7a_100000210259_200010270792 [0,2,0,0,0,0|2,0,0]=4 16871 B13R0.1338 CCCCCCSC[N+](C)(C)CCO 62a_100000210314_200010270792 [0,2,0,0,0,0|2,0,0]=4 16872 B13R0.1338 CCCCCCSC[N+](C)(C)CCO 62a_200010270792_100000210757 [0,2,0,0,0,0|2,0,0]=4 16873 B13R0.1338 CCCS(=O)(=O)NCCCCCCO 270084a_100000686447_100000211391 [0,2,0,0,0,0|2,0,0]=4 16874 B13R0.1338 CCCS(=O)(=O)NCCCCCCO 274078a_100000686447_100000211391 [0,2,0,0,0,0|2,0,0]=4 16875 B13R0.1338 CCCS(=O)(=O)NCCCCCCO 40a_100000686447_100000054278 [0,2,0,0,0,0|2,0,0]=4 16876 B13R0.1338 CCNC(C)(C)COCCCCCO 7a_100000747347_100000746330 [0,2,0,0,0,0|2,0,0]=4 16877 B13R0.1338 COCC(C)(C)CNCCCCCO 2230a_100000734190_100000746330 [0,2,0,0,0,0|2,0,0]=4 16878 B13R0.1338 COCC(C)(C)NCCCCCCO 2230a_100000752728_100000766143 [0,2,0,0,0,0|2,0,0]=4 16879 B13R0.1338 CSCC(C)(C)NCCCCCCO 2230a_100000759623_100000766143 [0,2,0,0,0,0|2,0,0]=4 16880 B13R0.1338 CSCC(C)(C)NCCCCCCO 7a_100000759623_100000766143 [0,2,0,0,0,0|2,0,0]=4 16881 B13R0.54 C#CCCCCCCCCOC(C)C 34a_100000065265_100000210206 [0,2,0,0,0,0|1,0,1]=4 16882 B13R0.54 C#CCCCCCCCCOC(C)C 7a_100000065265_100000210206 [0,2,0,0,0,0|1,0,1]=4 16883 B13R0.54 C#CCCCCCCCNCC(C)C 2230a_100000210953_100153394163 [0,2,0,0,0,0|1,0,1]=4 16884 B13R0.54 C#CCCCCCCCNCC(C)C 34a_100000210953_100153394163 [0,2,0,0,0,0|1,0,1]=4 16885 B13R0.54 C#CCCCCCCCNCC(C)O 2230a_100000210904_100153394163 [0,2,0,0,0,0|0,0,2]=4 16886 B13R0.54 C#CCCCCCCCNCC(C)O 34a_100000210904_100153394163 [0,2,0,0,0,0|0,0,2]=4 16887 B13R0.54 C#CCCCCCCCOCC(C)Br 34a_100012180447_100153394163 [0,2,0,0,0,0|1,0,1]=4 16888 B13R0.54 C#CCCCCCCCOCC(C)C 34a_100000054614_100000210624 [0,2,0,0,0,0|1,0,1]=4 16889 B13R0.54 C#CCCCCCCCOCC(C)C 34a_100000210257_100153394163 [0,2,0,0,0,0|1,0,1]=4 16890 B13R0.54 C#CCCCCCCCOCC(C)C 7a_100000054614_100000210760 [0,2,0,0,0,0|1,0,1]=4 16891 B13R0.54 C#CCCCCCCCOCC(C)F 34a_100015925927_100153394163 [0,2,0,0,0,0|1,0,1]=4 16892 B13R0.54 C#CCCCCCCCOCC(C)O 34a_100000054614_100011218427 [0,2,0,0,0,0|0,0,2]=4 16893 B13R0.54 C#CCCCCCCCOCC(C)O 7a_100000054614_100011218427 [0,2,0,0,0,0|0,0,2]=4 16894 B13R0.54 C#CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100153394163 [0,2,0,0,0,0|1,0,1]=4 16895 B13R0.54 C#CCCCCCCCOC[C@@H](C)N 34a_100000737577_100153394163 [0,2,0,0,0,0|1,0,1]=4 16896 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 34a_100000054614_100009817552 [0,2,0,0,0,0|0,0,2]=4 16897 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 7a_100000054614_100009817552 [0,2,0,0,0,0|0,0,2]=4 16898 B13R0.54 C#CCCCCCCCSCC(C)C 62a_100000210624_100153394163 [0,2,0,0,0,0|1,0,1]=4 16899 B13R0.54 C#CCCCCCCCSCC(C)C 62a_100153394163_100000210760 [0,2,0,0,0,0|1,0,1]=4 16900 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100011218427_100153394163 [0,2,0,0,0,0|0,0,2]=4 16901 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100153394163_100011218427 [0,2,0,0,0,0|0,0,2]=4 16902 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100009817552_100153394163 [0,2,0,0,0,0|0,0,2]=4 16903 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100153394163_100009817552 [0,2,0,0,0,0|0,0,2]=4 16904 B13R0.54 C#CCCCCCCNCCC(C)O 2230a_200000755665_100012276617 [0,2,0,0,0,0|0,0,2]=4 16905 B13R0.54 C#CCCCCCCOCCC(C)Br 34a_100009893172_100012276617 [0,2,0,0,0,0|1,0,1]=4 16906 B13R0.54 C#CCCCCCCOCCC(C)C 34a_100000210254_100012276617 [0,2,0,0,0,0|1,0,1]=4 16907 B13R0.54 C#CCCCCCCOCCC(C)C 34a_100011217361_100000210312 [0,2,0,0,0,0|1,0,1]=4 16908 B13R0.54 C#CCCCCCCOCCC(C)C 7a_100000210254_100012276617 [0,2,0,0,0,0|1,0,1]=4 16909 B13R0.54 C#CCCCCCCOCCC(C)C 7a_100011217361_100000210626 [0,2,0,0,0,0|1,0,1]=4 16910 B13R0.54 C#CCCCCCCOCCC(C)O 34a_100011217361_100012276601 [0,2,0,0,0,0|0,0,2]=4 16911 B13R0.54 C#CCCCCCCOCCC(C)O 7a_100011217361_100012276601 [0,2,0,0,0,0|0,0,2]=4 16912 B13R0.54 C#CCCCCCCOCC[C@@H](C)N 34a_100000706166_100012276617 [0,2,0,0,0,0|1,0,1]=4 16913 B13R0.54 C#CCCCCCCSCCC(C)C 62a_100000210312_100012276617 [0,2,0,0,0,0|1,0,1]=4 16914 B13R0.54 C#CCCCCCCSCCC(C)C 62a_100012276617_100000210312 [0,2,0,0,0,0|1,0,1]=4 16915 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276601_100012276617 [0,2,0,0,0,0|0,0,2]=4 16916 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276617_100012276601 [0,2,0,0,0,0|0,0,2]=4 16917 B13R0.54 C#CCCCCCNCCCC(C)C 2230a_200000737386_100012094781 [0,2,0,0,0,0|1,0,1]=4 16918 B13R0.54 C#CCCCCCNCCCC(C)C 34a_200000737386_100012094781 [0,2,0,0,0,0|1,0,1]=4 16919 B13R0.54 C#CCCCCCOCCCC(C)C 34a_100000210774_100012094781 [0,2,0,0,0,0|1,0,1]=4 16920 B13R0.54 C#CCCCCCOCCCC(C)C 34a_100000766912_100011214892 [0,2,0,0,0,0|1,0,1]=4 16921 B13R0.54 C#CCCCCCOCCCC(C)C 7a_100000210774_100012094781 [0,2,0,0,0,0|1,0,1]=4 16922 B13R0.54 C#CCCCCCOCCCC(C)C 7a_100000766912_100011214892 [0,2,0,0,0,0|1,0,1]=4 16923 B13R0.54 C#CCCCCCOCCCC(C)O 34a_100000766912_200000718107 [0,2,0,0,0,0|0,0,2]=4 16924 B13R0.54 C#CCCCCCOCCCC(C)O 7a_100000766912_200000718107 [0,2,0,0,0,0|0,0,2]=4 16925 B13R0.54 C#CCCCCCSCCCC(C)C 62a_100011214892_100012094781 [0,2,0,0,0,0|1,0,1]=4 16926 B13R0.54 C#CCCCCCSCCCC(C)C 62a_100012094781_100011214892 [0,2,0,0,0,0|1,0,1]=4 16927 B13R0.54 C#CCCCCCSCCCC(C)O 62a_100012094781_200000718107 [0,2,0,0,0,0|0,0,2]=4 16928 B13R0.54 C#CCCCCCSCCCC(C)O 62a_200000718107_100012094781 [0,2,0,0,0,0|0,0,2]=4 16929 B13R0.54 C#CCCCCNCCCCC(C)C 2230a_100000706060_100011216152 [0,2,0,0,0,0|1,0,1]=4 16930 B13R0.54 C#CCCCCNCCCCC(C)C 34a_100000706060_100011216152 [0,2,0,0,0,0|1,0,1]=4 16931 B13R0.54 C#CCCCCOCCCCC(C)C 34a_100000766709_100011216152 [0,2,0,0,0,0|1,0,1]=4 16932 B13R0.54 C#CCCCCOCCCCC(C)C 34a_100011214890_100010269958 [0,2,0,0,0,0|1,0,1]=4 16933 B13R0.54 C#CCCCCOCCCCC(C)C 7a_100000766709_100011216152 [0,2,0,0,0,0|1,0,1]=4 16934 B13R0.54 C#CCCCCOCCCCC(C)C 7a_100011214890_100010269958 [0,2,0,0,0,0|1,0,1]=4 16935 B13R0.54 C#CCCCCSCCCCC(C)C 62a_100010269958_100011216152 [0,2,0,0,0,0|1,0,1]=4 16936 B13R0.54 C#CCCCCSCCCCC(C)C 62a_100011216152_100010269958 [0,2,0,0,0,0|1,0,1]=4 16937 B13R0.54 C#CCCCNCCCCCC(C)C 2230a_100011290863_100000731252 [0,2,0,0,0,0|1,0,1]=4 16938 B13R0.54 C#CCCCNCCCCCC(C)C 34a_100000718082_100000210682 [0,2,0,0,0,0|1,0,1]=4 16939 B13R0.54 C#CCCCNCCCCCC(C)C 34a_100011290863_100000695029 [0,2,0,0,0,0|1,0,1]=4 16940 B13R0.54 C#CCCCOCCCCCC(C)C 34a_100000215630_100000210682 [0,2,0,0,0,0|1,0,1]=4 16941 B13R0.54 C#CCCCOCCCCCC(C)C 34a_100011995859_100000695029 [0,2,0,0,0,0|1,0,1]=4 16942 B13R0.54 C#CCCCOCCCCCC(C)C 7a_100000215630_100000210682 [0,2,0,0,0,0|1,0,1]=4 16943 B13R0.54 C#CCCCOCCCCCC(C)C 7a_100011995859_100011215417 [0,2,0,0,0,0|1,0,1]=4 16944 B13R0.54 C#CCCCSCCCCCC(C)C 62a_100000210682_100011215417 [0,2,0,0,0,0|1,0,1]=4 16945 B13R0.54 C#CCCCSCCCCCC(C)C 62a_100011215417_100000210682 [0,2,0,0,0,0|1,0,1]=4 16946 B13R0.54 C#CCCNCCCCCCC(C)C 2230a_100000211014_100000688953 [0,2,0,0,0,0|1,0,1]=4 16947 B13R0.54 C#CCCNCCCCCCC(C)C 34a_100000211014_100000688953 [0,2,0,0,0,0|1,0,1]=4 16948 B13R0.54 C#CCOCCCCCCCC(C)C 34a_200000210741_100000184674 [0,2,0,0,0,0|1,0,1]=4 16949 B13R0.54 C#CCOCCCCCCCC(C)C 7a_200000210741_100000038162 [0,2,0,0,0,0|1,0,1]=4 16950 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,2,0,0,0,0|1,0,1]=4 16951 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,2,0,0,0,0|0,0,2]=4 16952 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,2,0,0,0,0|1,0,1]=4 16953 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,2,0,0,0,0|1,0,1]=4 16954 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,2,0,0,0,0|0,0,1]=3 16955 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,2,0,0,0,0|0,0,1]=3 16956 B13R0.54 C=C(C)CCNCCCOCCCO 2230a_100011310245_100000730704 [0,2,0,0,0,0|1,0,1]=4 16957 B13R0.54 C=C(C)CCNCCCOCCCO 34a_100011310245_100000730704 [0,2,0,0,0,0|1,0,1]=4 16958 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,2,0,0,0,0|1,0,1]=4 16959 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,2,0,0,0,0|1,0,1]=4 16960 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,2,0,0,0,0|1,0,1]=4 16961 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,2,0,0,0,0|1,0,1]=4 16962 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,2,0,0,0,0|1,0,1]=4 16963 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,2,0,0,0,0|1,0,1]=4 16964 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,2,0,0,0,0|0,0,1]=3 16965 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|1,0,1]=4 16966 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|1,0,1]=4 16967 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|1,0,1]=4 16968 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,2,0,0,0,0|1,0,1]=4 16969 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,2,0,0,0,0|1,0,1]=4 16970 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,2,0,0,0,0|0,0,1]=3 16971 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,2,0,0,0,0|0,0,1]=3 16972 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,2,0,0,0,0|1,0,1]=4 16973 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,2,0,0,0,0|1,0,1]=4 16974 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,2,0,0,0,0|1,0,1]=4 16975 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,2,0,0,0,0|1,0,1]=4 16976 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,2,0,0,0,0|0,0,1]=3 16977 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,2,0,0,0,0|0,0,1]=3 16978 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,2,0,0,0,0|1,0,1]=4 16979 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,2,0,0,0,0|1,0,1]=4 16980 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,2,0,0,0,0|1,0,1]=4 16981 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,2,0,0,0,0|1,0,1]=4 16982 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,2,0,0,0,0|1,0,1]=4 16983 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,2,0,0,0,0|1,0,1]=4 16984 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,2,0,0,0,0|1,0,1]=4 16985 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,2,0,0,0,0|1,0,1]=4 16986 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,2,0,0,0,0|0,0,1]=3 16987 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,2,0,0,0,0|1,0,1]=4 16988 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,2,0,0,0,0|0,0,1]=3 16989 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,2,0,0,0,0|0,0,1]=3 16990 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,2,0,0,0,0|1,0,1]=4 16991 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,2,0,0,0,0|1,0,1]=4 16992 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,2,0,0,0,0|0,0,2]=4 16993 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,2,0,0,0,0|0,0,2]=4 16994 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,2,0,0,0,0|1,0,1]=4 16995 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,2,0,0,0,0|1,0,1]=4 16996 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,2,0,0,0,0|1,0,1]=4 16997 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,2,0,0,0,0|0,0,2]=4 16998 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,2,0,0,0,0|1,0,1]=4 16999 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,2,0,0,0,0|0,0,2]=4 17000 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,2,0,0,0,0|0,0,2]=4 17001 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|1,0,1]=4 17002 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,2,0,0,0,0|1,0,1]=4 17003 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,2,0,0,0,0|1,0,1]=4 17004 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [0,2,0,0,0,0|1,0,1]=4 17005 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [0,2,0,0,0,0|1,0,1]=4 17006 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,2,0,0,0,0|1,0,1]=4 17007 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,2,0,0,0,0|1,0,1]=4 17008 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,2,0,0,0,0|1,0,1]=4 17009 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100000210206_100011933949 [0,2,0,0,0,0|1,0,1]=4 17010 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100011933949_100000210206 [0,2,0,0,0,0|1,0,1]=4 17011 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [0,2,0,0,0,0|1,0,1]=4 17012 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [0,2,0,0,0,0|1,0,1]=4 17013 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,2,0,0,0,0|0,0,2]=4 17014 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,2,0,0,0,0|0,0,2]=4 17015 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [0,2,0,0,0,0|1,0,1]=4 17016 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [0,2,0,0,0,0|1,0,1]=4 17017 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [0,2,0,0,0,0|1,0,1]=4 17018 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [0,2,0,0,0,0|1,0,1]=4 17019 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [0,2,0,0,0,0|1,0,1]=4 17020 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,2,0,0,0,0|0,0,2]=4 17021 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,2,0,0,0,0|0,0,2]=4 17022 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [0,2,0,0,0,0|1,0,1]=4 17023 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [0,2,0,0,0,0|1,0,1]=4 17024 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,2,0,0,0,0|0,0,2]=4 17025 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,2,0,0,0,0|0,0,2]=4 17026 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [0,2,0,0,0,0|1,0,1]=4 17027 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [0,2,0,0,0,0|1,0,1]=4 17028 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,2,0,0,0,0|0,0,2]=4 17029 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,2,0,0,0,0|0,0,2]=4 17030 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,2,0,0,0,0|0,0,2]=4 17031 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,2,0,0,0,0|0,0,2]=4 17032 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,2,0,0,0,0|0,0,2]=4 17033 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [0,2,0,0,0,0|1,0,1]=4 17034 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [0,2,0,0,0,0|1,0,1]=4 17035 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [0,2,0,0,0,0|1,0,1]=4 17036 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [0,2,0,0,0,0|1,0,1]=4 17037 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [0,2,0,0,0,0|1,0,1]=4 17038 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,2,0,0,0,0|0,0,2]=4 17039 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,2,0,0,0,0|0,0,2]=4 17040 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [0,2,0,0,0,0|1,0,1]=4 17041 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [0,2,0,0,0,0|1,0,1]=4 17042 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [0,2,0,0,0,0|1,0,1]=4 17043 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,2,0,0,0,0|0,0,2]=4 17044 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,2,0,0,0,0|0,0,2]=4 17045 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [0,2,0,0,0,0|1,0,1]=4 17046 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [0,2,0,0,0,0|1,0,1]=4 17047 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [0,2,0,0,0,0|1,0,1]=4 17048 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [0,2,0,0,0,0|1,0,1]=4 17049 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [0,2,0,0,0,0|1,0,1]=4 17050 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [0,2,0,0,0,0|1,0,1]=4 17051 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,2,0,0,0,0|0,0,2]=4 17052 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,2,0,0,0,0|0,0,2]=4 17053 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [0,2,0,0,0,0|1,0,1]=4 17054 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [0,2,0,0,0,0|1,0,1]=4 17055 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,2,0,0,0,0|0,0,2]=4 17056 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,2,0,0,0,0|0,0,2]=4 17057 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [0,2,0,0,0,0|1,0,1]=4 17058 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [0,2,0,0,0,0|1,0,1]=4 17059 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [0,2,0,0,0,0|1,0,1]=4 17060 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [0,2,0,0,0,0|1,0,1]=4 17061 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [0,2,0,0,0,0|1,0,1]=4 17062 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [0,2,0,0,0,0|1,0,1]=4 17063 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [0,2,0,0,0,0|1,0,1]=4 17064 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [0,2,0,0,0,0|1,0,1]=4 17065 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [0,2,0,0,0,0|1,0,1]=4 17066 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [0,2,0,0,0,0|1,0,1]=4 17067 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [0,2,0,0,0,0|1,0,1]=4 17068 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [0,2,0,0,0,0|1,0,1]=4 17069 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [0,2,0,0,0,0|1,0,1]=4 17070 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [0,2,0,0,0,0|1,0,1]=4 17071 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [0,2,0,0,0,0|1,0,1]=4 17072 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [0,2,0,0,0,0|1,0,1]=4 17073 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [0,2,0,0,0,0|1,0,1]=4 17074 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [0,2,0,0,0,0|1,0,1]=4 17075 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [0,2,0,0,0,0|1,0,1]=4 17076 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [0,2,0,0,0,0|1,0,1]=4 17077 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [0,2,0,0,0,0|1,0,1]=4 17078 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [0,2,0,0,0,0|1,0,1]=4 17079 B13R0.54 CC(=CCCNCCCCCCO)C 2230a_100000686447_100011217483 [0,2,0,0,0,0|0,0,2]=4 17080 B13R0.54 CC(=CCCNCCCCCCO)C 34a_100000686447_100011217483 [0,2,0,0,0,0|0,0,2]=4 17081 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100000766143_100011217483 [0,2,0,0,0,0|0,0,2]=4 17082 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100011217483_100000766143 [0,2,0,0,0,0|0,0,2]=4 17083 B13R0.54 CC(=CCNCCCCCCCO)C 2230a_100011996573_100000761012 [0,2,0,0,0,0|0,0,2]=4 17084 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100000718196_100000760002 [0,2,0,0,0,0|0,0,2]=4 17085 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100011996573_100000761012 [0,2,0,0,0,0|0,0,2]=4 17086 B13R0.54 CC(=CCOCCCCCCCO)C 34a_100000753907_100000760002 [0,2,0,0,0,0|0,0,2]=4 17087 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000760002_100000761012 [0,2,0,0,0,0|0,0,2]=4 17088 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000761012_100000760002 [0,2,0,0,0,0|0,0,2]=4 17089 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|0,0,0]=2 17090 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,2,0,0,0,0|0,0,1]=3 17091 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,2,0,0,0,0|1,0,1]=4 17092 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,2,0,0,0,0|1,0,1]=4 17093 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,2,0,0,0,0|1,0,1]=4 17094 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,2,0,0,0,0|1,0,1]=4 17095 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,2,0,0,0,0|1,0,1]=4 17096 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,2,0,0,0,0|1,0,1]=4 17097 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,2,0,0,0,0|1,0,1]=4 17098 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,1]=4 17099 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,2,0,0,0,0|1,0,1]=4 17100 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,2,0,0,0,0|1,0,1]=4 17101 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,2,0,0,0,0|0,0,1]=3 17102 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,2,0,0,0,0|0,0,1]=3 17103 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,2,0,0,0,0|1,0,1]=4 17104 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,2,0,0,0,0|1,0,1]=4 17105 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,2,0,0,0,0|0,0,1]=3 17106 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,2,0,0,0,0|1,0,1]=4 17107 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,2,0,0,0,0|1,0,1]=4 17108 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,2,0,0,0,0|1,0,1]=4 17109 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,2,0,0,0,0|1,0,1]=4 17110 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,2,0,0,0,0|1,0,1]=4 17111 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,2,0,0,0,0|1,0,1]=4 17112 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,2,0,0,0,0|1,0,1]=4 17113 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,2,0,0,0,0|1,0,1]=4 17114 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,1]=4 17115 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,2,0,0,0,0|0,0,1]=3 17116 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,2,0,0,0,0|0,0,1]=3 17117 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,2,0,0,0,0|1,0,1]=4 17118 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,2,0,0,0,0|1,0,1]=4 17119 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,2,0,0,0,0|0,0,1]=3 17120 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,2,0,0,0,0|0,0,1]=3 17121 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,2,0,0,0,0|1,0,1]=4 17122 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,2,0,0,0,0|0,0,1]=3 17123 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,2,0,0,0,0|0,0,1]=3 17124 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,2,0,0,0,0|0,0,1]=3 17125 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,2,0,0,0,0|0,0,1]=3 17126 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,2,0,0,0,0|0,0,1]=3 17127 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,2,0,0,0,0|0,0,1]=3 17128 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,2,0,0,0,0|1,0,1]=4 17129 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,2,0,0,0,0|1,0,1]=4 17130 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,2,0,0,0,0|1,0,1]=4 17131 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,2,0,0,0,0|1,0,1]=4 17132 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,2,0,0,0,0|1,0,1]=4 17133 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,2,0,0,0,0|1,0,1]=4 17134 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,2,0,0,0,0|1,0,1]=4 17135 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,2,0,0,0,0|1,0,1]=4 17136 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,2,0,0,0,0|1,0,1]=4 17137 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,2,0,0,0,0|1,0,1]=4 17138 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,2,0,0,0,0|1,0,1]=4 17139 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,2,0,0,0,0|1,0,1]=4 17140 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,2,0,0,0,0|1,0,1]=4 17141 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,2,0,0,0,0|1,0,1]=4 17142 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,2,0,0,0,0|1,0,1]=4 17143 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,2,0,0,0,0|1,0,1]=4 17144 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,2,0,0,0,0|1,0,1]=4 17145 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,2,0,0,0,0|1,0,1]=4 17146 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,2,0,0,0,0|1,0,1]=4 17147 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,2,0,0,0,0|1,0,1]=4 17148 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,2,0,0,0,0|1,0,1]=4 17149 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,2,0,0,0,0|1,0,1]=4 17150 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,2,0,0,0,0|1,0,1]=4 17151 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,2,0,0,0,0|1,0,1]=4 17152 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,2,0,0,0,0|1,0,1]=4 17153 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,2,0,0,0,0|1,0,1]=4 17154 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,2,0,0,0,0|1,0,1]=4 17155 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,2,0,0,0,0|1,0,1]=4 17156 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,2,0,0,0,0|1,0,1]=4 17157 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,2,0,0,0,0|1,0,1]=4 17158 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,2,0,0,0,0|1,0,1]=4 17159 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,2,0,0,0,0|1,0,1]=4 17160 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,2,0,0,0,0|1,0,1]=4 17161 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,2,0,0,0,0|1,0,1]=4 17162 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,2,0,0,0,0|1,0,1]=4 17163 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,2,0,0,0,0|1,0,1]=4 17164 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,2,0,0,0,0|1,0,1]=4 17165 B13R0.54 CC(=S)OCCCNCCCCCO 2230a_100000762737_200135323944 [0,2,0,0,0,0|1,0,1]=4 17166 B13R0.54 CC(=S)OCCCNCCCCCO 34a_100000762737_200135323944 [0,2,0,0,0,0|1,0,1]=4 17167 B13R0.54 CC(=S)OCCCSCCCCCO 62a_100000746330_200135323944 [0,2,0,0,0,0|1,0,1]=4 17168 B13R0.54 CC(=S)OCCCSCCCCCO 62a_200135323944_100000746330 [0,2,0,0,0,0|1,0,1]=4 17169 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [0,2,0,0,0,0|0,0,0]=2 17170 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [0,2,0,0,0,0|0,0,0]=2 17171 B13R0.54 CC(Br)COCCOCCOCCO 34a_100012180447_100000032323 [0,2,0,0,0,0|2,0,0]=4 17172 B13R0.54 CC(C)CCCCCCCOCC#N 7a_200000210741_100011215382 [0,2,0,0,0,0|1,0,1]=4 17173 B13R0.54 CC(C)CCCCCCCOCC=O 34a_200000210741_200009817547 [0,2,0,0,0,0|0,0,2]=4 17174 B13R0.54 CC(C)CCCCCCCOCC=O 7a_200000210741_200015260668 [0,2,0,0,0,0|0,0,2]=4 17175 B13R0.54 CC(C)CCCCCCCOCCF 34a_200000210741_100011217306 [0,2,0,0,0,0|1,0,0]=3 17176 B13R0.54 CC(C)CCCCCCCOCCF 7a_200000210741_100011217306 [0,2,0,0,0,0|1,0,0]=3 17177 B13R0.54 CC(C)CCCCCCCOCCO 34a_200000210741_100000211926 [0,2,0,0,0,0|0,0,0]=2 17178 B13R0.54 CC(C)CCCCCCCOCCO 7a_200000210741_100000211926 [0,2,0,0,0,0|0,0,0]=2 17179 B13R0.54 CC(C)CCCCCCNCCC#N 2230a_100000211014_100011215226 [0,2,0,0,0,0|1,0,1]=4 17180 B13R0.54 CC(C)CCCCCCNCCCF 2230a_100000211014_100011934791 [0,2,0,0,0,0|1,0,0]=3 17181 B13R0.54 CC(C)CCCCCCNCCCF 34a_100000211014_100011934791 [0,2,0,0,0,0|1,0,0]=3 17182 B13R0.54 CC(C)CCCCCCNCCCO 2230a_100000211014_100000230001 [0,2,0,0,0,0|0,0,0]=2 17183 B13R0.54 CC(C)CCCCCCNCCCO 34a_100000211014_100000230001 [0,2,0,0,0,0|0,0,0]=2 17184 B13R0.54 CC(C)CCCCCNCC#CCO 2230a_100011290863_200000047223 [0,2,0,0,0,0|0,0,2]=4 17185 B13R0.54 CC(C)CCCCCNCC#CCO 34a_100011290863_200000047223 [0,2,0,0,0,0|0,0,2]=4 17186 B13R0.54 CC(C)CCCCCNCCCC#N 2230a_100011290863_100000687738 [0,2,0,0,0,0|1,0,1]=4 17187 B13R0.54 CC(C)CCCCCNCCCC=O 2230a_100011290863_200011292268 [0,2,0,0,0,0|0,0,2]=4 17188 B13R0.54 CC(C)CCCCCNCCCCF 2230a_100011290863_100000729493 [0,2,0,0,0,0|1,0,0]=3 17189 B13R0.54 CC(C)CCCCCNCCCCF 34a_100011290863_100000729493 [0,2,0,0,0,0|1,0,0]=3 17190 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100000750430_100000210682 [0,2,0,0,0,0|0,0,0]=2 17191 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100011290863_100000210776 [0,2,0,0,0,0|0,0,0]=2 17192 B13R0.54 CC(C)CCCCCNCCCCO 34a_100000750430_100000210682 [0,2,0,0,0,0|0,0,0]=2 17193 B13R0.54 CC(C)CCCCCNCCCCO 34a_100011290863_100011216708 [0,2,0,0,0,0|0,0,0]=2 17194 B13R0.54 CC(C)CCCCCOCC#CCO 34a_100011995859_200000047223 [0,2,0,0,0,0|0,0,2]=4 17195 B13R0.54 CC(C)CCCCCOCC#CCO 7a_100011995859_200000047223 [0,2,0,0,0,0|0,0,2]=4 17196 B13R0.54 CC(C)CCCCCOCCCC#N 7a_100011995859_100000687738 [0,2,0,0,0,0|1,0,1]=4 17197 B13R0.54 CC(C)CCCCCOCCCC=O 7a_100011995859_200011292268 [0,2,0,0,0,0|0,0,2]=4 17198 B13R0.54 CC(C)CCCCCOCCCCBr 34a_100011216708_100000210682 [0,2,0,0,0,0|1,0,0]=3 17199 B13R0.54 CC(C)CCCCCOCCCCCl 34a_100000210776_100000210682 [0,2,0,0,0,0|1,0,0]=3 17200 B13R0.54 CC(C)CCCCCOCCCCCl 7a_100000210776_100000210682 [0,2,0,0,0,0|1,0,0]=3 17201 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995726_100000210682 [0,2,0,0,0,0|1,0,0]=3 17202 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995859_100000729493 [0,2,0,0,0,0|1,0,0]=3 17203 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995726_100000210682 [0,2,0,0,0,0|1,0,0]=3 17204 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995859_100000729493 [0,2,0,0,0,0|1,0,0]=3 17205 B13R0.54 CC(C)CCCCCOCCCCI 34a_200012148704_100000210682 [0,2,0,0,0,0|1,0,0]=3 17206 B13R0.54 CC(C)CCCCCOCCCCN 34a_100000750430_100000210682 [0,2,0,0,0,0|1,0,0]=3 17207 B13R0.54 CC(C)CCCCCOCCCCO 34a_100011995859_100011216708 [0,2,0,0,0,0|0,0,0]=2 17208 B13R0.54 CC(C)CCCCCOCCCCO 7a_100011995859_100000210776 [0,2,0,0,0,0|0,0,0]=2 17209 B13R0.54 CC(C)CCCCCSCC#CCO 62a_100000210682_200000047223 [0,2,0,0,0,0|0,0,2]=4 17210 B13R0.54 CC(C)CCCCCSCC#CCO 62a_200000047223_100000210682 [0,2,0,0,0,0|0,0,2]=4 17211 B13R0.54 CC(C)CCCCCSCCCC#N 62a_100000210682_100000687738 [0,2,0,0,0,0|1,0,1]=4 17212 B13R0.54 CC(C)CCCCCSCCCC#N 62a_100000687738_100000210682 [0,2,0,0,0,0|1,0,1]=4 17213 B13R0.54 CC(C)CCCCCSCCCC=O 62a_100000210682_200011292268 [0,2,0,0,0,0|0,0,2]=4 17214 B13R0.54 CC(C)CCCCCSCCCC=O 62a_200011292268_100000210682 [0,2,0,0,0,0|0,0,2]=4 17215 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000210682_100000729493 [0,2,0,0,0,0|1,0,0]=3 17216 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000729493_100000210682 [0,2,0,0,0,0|1,0,0]=3 17217 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210682_100000210776 [0,2,0,0,0,0|0,0,0]=2 17218 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210776_100000210682 [0,2,0,0,0,0|0,0,0]=2 17219 B13R0.54 CC(C)CCCCNCCCCCO 2230a_100000762737_100011216152 [0,2,0,0,0,0|0,0,0]=2 17220 B13R0.54 CC(C)CCCCNCCCCCO 34a_100000762737_100011216152 [0,2,0,0,0,0|0,0,0]=2 17221 B13R0.54 CC(C)CCCCNCCOCCO 2230a_100000211614_100011216152 [0,2,0,0,0,0|1,0,0]=3 17222 B13R0.54 CC(C)CCCCNCCOCCO 34a_100000211614_100011216152 [0,2,0,0,0,0|1,0,0]=3 17223 B13R0.54 CC(C)CCCCNCCSCCO 2230a_100011219999_100011216152 [0,2,0,0,0,0|1,0,0]=3 17224 B13R0.54 CC(C)CCCCOCCCCC#N 7a_100011214890_100000211819 [0,2,0,0,0,0|1,0,1]=4 17225 B13R0.54 CC(C)CCCCOCCCCC=O 7a_100011214890_100000139335 [0,2,0,0,0,0|0,0,2]=4 17226 B13R0.54 CC(C)CCCCOCCCCCBr 34a_100000746331_100011216152 [0,2,0,0,0,0|1,0,0]=3 17227 B13R0.54 CC(C)CCCCOCCCCCBr 7a_100000746331_100011216152 [0,2,0,0,0,0|1,0,0]=3 17228 B13R0.54 CC(C)CCCCOCCCCCCl 34a_100000746330_100011216152 [0,2,0,0,0,0|1,0,0]=3 17229 B13R0.54 CC(C)CCCCOCCCCCCl 7a_100000746330_100011216152 [0,2,0,0,0,0|1,0,0]=3 17230 B13R0.54 CC(C)CCCCOCCCCCF 34a_100011214890_100000729378 [0,2,0,0,0,0|1,0,0]=3 17231 B13R0.54 CC(C)CCCCOCCCCCF 7a_100011214890_100000729378 [0,2,0,0,0,0|1,0,0]=3 17232 B13R0.54 CC(C)CCCCOCCCCCI 34a_200012148887_100011216152 [0,2,0,0,0,0|1,0,0]=3 17233 B13R0.54 CC(C)CCCCOCCCCCI 7a_200012148887_100011216152 [0,2,0,0,0,0|1,0,0]=3 17234 B13R0.54 CC(C)CCCCOCCCCCN 34a_100000762737_100011216152 [0,2,0,0,0,0|1,0,0]=3 17235 B13R0.54 CC(C)CCCCOCCCCCO 34a_100011214890_100000746330 [0,2,0,0,0,0|0,0,0]=2 17236 B13R0.54 CC(C)CCCCOCCCCCO 7a_100011214890_100000746330 [0,2,0,0,0,0|0,0,0]=2 17237 B13R0.54 CC(C)CCCCOCCOCCBr 34a_100000692535_100011216152 [0,2,0,0,0,0|2,0,0]=4 17238 B13R0.54 CC(C)CCCCOCCOCCBr 7a_100000692535_100011216152 [0,2,0,0,0,0|2,0,0]=4 17239 B13R0.54 CC(C)CCCCOCCOCCCl 34a_100011215305_100011216152 [0,2,0,0,0,0|2,0,0]=4 17240 B13R0.54 CC(C)CCCCOCCOCCCl 7a_100011215305_100011216152 [0,2,0,0,0,0|2,0,0]=4 17241 B13R0.54 CC(C)CCCCOCCOCCF 34a_200015357709_100011216152 [0,2,0,0,0,0|2,0,0]=4 17242 B13R0.54 CC(C)CCCCOCCOCCF 7a_200015357709_100011216152 [0,2,0,0,0,0|2,0,0]=4 17243 B13R0.54 CC(C)CCCCOCCOCCI 34a_100012149058_100011216152 [0,2,0,0,0,0|2,0,0]=4 17244 B13R0.54 CC(C)CCCCOCCOCCI 7a_100012149058_100011216152 [0,2,0,0,0,0|2,0,0]=4 17245 B13R0.54 CC(C)CCCCOCCOCCN 34a_100000211614_100011216152 [0,2,0,0,0,0|2,0,0]=4 17246 B13R0.54 CC(C)CCCCOCCOCCO 34a_100011214890_100000692535 [0,2,0,0,0,0|1,0,0]=3 17247 B13R0.54 CC(C)CCCCOCCOCCO 7a_100011214890_100011215305 [0,2,0,0,0,0|1,0,0]=3 17248 B13R0.54 CC(C)CCCCSCCCCC#N 62a_100011216152_100000211819 [0,2,0,0,0,0|1,0,1]=4 17249 B13R0.54 CC(C)CCCCSCCCCC#N 62a_100011219923_100011216152 [0,2,0,0,0,0|1,0,1]=4 17250 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100000139335_100011216152 [0,2,0,0,0,0|0,0,2]=4 17251 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100011216152_100000139335 [0,2,0,0,0,0|0,0,2]=4 17252 B13R0.54 CC(C)CCCCSCCCCCF 62a_100000729378_100011216152 [0,2,0,0,0,0|1,0,0]=3 17253 B13R0.54 CC(C)CCCCSCCCCCF 62a_100011216152_100000729378 [0,2,0,0,0,0|1,0,0]=3 17254 B13R0.54 CC(C)CCCCSCCCCCO 62a_100000746330_100011216152 [0,2,0,0,0,0|0,0,0]=2 17255 B13R0.54 CC(C)CCCCSCCCCCO 62a_100011216152_100000746330 [0,2,0,0,0,0|0,0,0]=2 17256 B13R0.54 CC(C)CCCCSCCOCCO 62a_100011215305_100011216152 [0,2,0,0,0,0|1,0,0]=3 17257 B13R0.54 CC(C)CCCCSCCOCCO 62a_100011216152_100011215305 [0,2,0,0,0,0|1,0,0]=3 17258 B13R0.54 CC(C)CCCNCCCCCC#N 2230a_200000737386_100009813376 [0,2,0,0,0,0|1,0,1]=4 17259 B13R0.54 CC(C)CCCNCCCCCC=O 2230a_200000737386_100000139337 [0,2,0,0,0,0|0,0,2]=4 17260 B13R0.54 CC(C)CCCNCCCCCCF 2230a_200000737386_100015922095 [0,2,0,0,0,0|1,0,0]=3 17261 B13R0.54 CC(C)CCCNCCCCCCF 34a_200000737386_100015922095 [0,2,0,0,0,0|1,0,0]=3 17262 B13R0.54 CC(C)CCCNCCCCCCO 2230a_100000686447_100011214892 [0,2,0,0,0,0|0,0,0]=2 17263 B13R0.54 CC(C)CCCNCCCCCCO 2230a_200000737386_100000766143 [0,2,0,0,0,0|0,0,0]=2 17264 B13R0.54 CC(C)CCCNCCCCCCO 34a_100000686447_100011214892 [0,2,0,0,0,0|0,0,0]=2 17265 B13R0.54 CC(C)CCCNCCCCCCO 34a_200000737386_100000766143 [0,2,0,0,0,0|0,0,0]=2 17266 B13R0.54 CC(C)CCCOCCCCCC#N 7a_100000210774_100009813376 [0,2,0,0,0,0|1,0,1]=4 17267 B13R0.54 CC(C)CCCOCCCCCC=O 7a_100000210774_100000139337 [0,2,0,0,0,0|0,0,2]=4 17268 B13R0.54 CC(C)CCCOCCCCCCBr 34a_100011215345_100011214892 [0,2,0,0,0,0|1,0,0]=3 17269 B13R0.54 CC(C)CCCOCCCCCCBr 7a_100011215345_100011214892 [0,2,0,0,0,0|1,0,0]=3 17270 B13R0.54 CC(C)CCCOCCCCCCCl 34a_100000766143_100011214892 [0,2,0,0,0,0|1,0,0]=3 17271 B13R0.54 CC(C)CCCOCCCCCCCl 7a_100000766143_100011214892 [0,2,0,0,0,0|1,0,0]=3 17272 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000210774_100015922095 [0,2,0,0,0,0|1,0,0]=3 17273 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000732779_100011214892 [0,2,0,0,0,0|1,0,0]=3 17274 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000210774_100015922095 [0,2,0,0,0,0|1,0,0]=3 17275 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000732779_100011214892 [0,2,0,0,0,0|1,0,0]=3 17276 B13R0.54 CC(C)CCCOCCCCCCN 34a_100000686447_100011214892 [0,2,0,0,0,0|1,0,0]=3 17277 B13R0.54 CC(C)CCCOCCCCCCO 34a_100000210774_100000766143 [0,2,0,0,0,0|0,0,0]=2 17278 B13R0.54 CC(C)CCCOCCCCCCO 7a_100000210774_100000766143 [0,2,0,0,0,0|0,0,0]=2 17279 B13R0.54 CC(C)CCCSCCCCCC#N 62a_100009813376_100011214892 [0,2,0,0,0,0|1,0,1]=4 17280 B13R0.54 CC(C)CCCSCCCCCC#N 62a_100011214892_100009813376 [0,2,0,0,0,0|1,0,1]=4 17281 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100000139337_100011214892 [0,2,0,0,0,0|0,0,2]=4 17282 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100011214892_100000139337 [0,2,0,0,0,0|0,0,2]=4 17283 B13R0.54 CC(C)CCCSCCCCCCF 62a_100011214892_100015922095 [0,2,0,0,0,0|1,0,0]=3 17284 B13R0.54 CC(C)CCCSCCCCCCF 62a_100015922095_100011214892 [0,2,0,0,0,0|1,0,0]=3 17285 B13R0.54 CC(C)CCCSCCCCCCO 62a_100000766143_100011214892 [0,2,0,0,0,0|0,0,0]=2 17286 B13R0.54 CC(C)CCCSCCCCCCO 62a_100011214892_100000766143 [0,2,0,0,0,0|0,0,0]=2 17287 B13R0.54 CC(C)CCNCCCCCCCO 2230a_100011996573_100000210312 [0,2,0,0,0,0|0,0,0]=2 17288 B13R0.54 CC(C)CCNCCCCCCCO 269862a_100011996573_100000185833 [0,2,0,0,0,0|0,0,0]=2 17289 B13R0.54 CC(C)CCNCCCCCCCO 34a_100011996573_100000210312 [0,2,0,0,0,0|0,0,0]=2 17290 B13R0.54 CC(C)CCNCCCOCCCO 2230a_100011310245_100000210312 [0,2,0,0,0,0|1,0,0]=3 17291 B13R0.54 CC(C)CCNCCCOCCCO 269862a_100011310245_100000185833 [0,2,0,0,0,0|1,0,0]=3 17292 B13R0.54 CC(C)CCNCCCOCCCO 34a_100011310245_100000210312 [0,2,0,0,0,0|1,0,0]=3 17293 B13R0.54 CC(C)CCOCCCCCCC#N 7a_100000210254_100009813337 [0,2,0,0,0,0|1,0,1]=4 17294 B13R0.54 CC(C)CCOCCCCCCCBr 34a_100000760002_100000210312 [0,2,0,0,0,0|1,0,0]=3 17295 B13R0.54 CC(C)CCOCCCCCCCBr 7a_100000760002_100000210626 [0,2,0,0,0,0|1,0,0]=3 17296 B13R0.54 CC(C)CCOCCCCCCCN 34a_100011996573_100000210312 [0,2,0,0,0,0|1,0,0]=3 17297 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [0,2,0,0,0,0|0,0,0]=2 17298 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [0,2,0,0,0,0|0,0,0]=2 17299 B13R0.54 CC(C)CCOCCCOCCCN 34a_100011310245_100000210312 [0,2,0,0,0,0|2,0,0]=4 17300 B13R0.54 CC(C)CCSCCCCCCC#N 62a_100000210312_100009813337 [0,2,0,0,0,0|1,0,1]=4 17301 B13R0.54 CC(C)CCSCCCCCCC#N 62a_100009813337_100000210312 [0,2,0,0,0,0|1,0,1]=4 17302 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000210312_100000760002 [0,2,0,0,0,0|0,0,0]=2 17303 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000760002_100000210312 [0,2,0,0,0,0|0,0,0]=2 17304 B13R0.54 CC(C)CNCCCCCCCCO 2230a_100000210953_100000033203 [0,2,0,0,0,0|0,0,0]=2 17305 B13R0.54 CC(C)CNCCCCCCCCO 2230a_102515433106_100000210760 [0,2,0,0,0,0|0,0,0]=2 17306 B13R0.54 CC(C)CNCCCCCCCCO 270004a_102515433106_100000210432 [0,2,0,0,0,0|0,0,0]=2 17307 B13R0.54 CC(C)CNCCCCCCCCO 34a_100000210953_100000033203 [0,2,0,0,0,0|0,0,0]=2 17308 B13R0.54 CC(C)CNCCCCCCCCO 34a_102515433106_100000210624 [0,2,0,0,0,0|0,0,0]=2 17309 B13R0.54 CC(C)CNCCOCCCCCF 34a_100015185251_100000729378 [0,2,0,0,0,0|2,0,0]=4 17310 B13R0.54 CC(C)CNCCOCCCCCO 34a_100015185251_100000746330 [0,2,0,0,0,0|1,0,0]=3 17311 B13R0.54 CC(C)CNCCOCCOCCO 2230a_100000210953_100000032323 [0,2,0,0,0,0|2,0,0]=4 17312 B13R0.54 CC(C)CNCCOCCOCCO 2230a_100011998139_100000210760 [0,2,0,0,0,0|2,0,0]=4 17313 B13R0.54 CC(C)CNCCOCCOCCO 270004a_100011998139_100000210432 [0,2,0,0,0,0|2,0,0]=4 17314 B13R0.54 CC(C)CNCCOCCOCCO 34a_100000210953_100000032323 [0,2,0,0,0,0|2,0,0]=4 17315 B13R0.54 CC(C)CNCCOCCOCCO 34a_100011998139_100000210624 [0,2,0,0,0,0|2,0,0]=4 17316 B13R0.54 CC(C)CNCCOCCOCCO 34a_100015185251_100000692535 [0,2,0,0,0,0|2,0,0]=4 17317 B13R0.54 CC(C)COCCCCCCCCBr 34a_100009813846_100000210624 [0,2,0,0,0,0|1,0,0]=3 17318 B13R0.54 CC(C)COCCCCCCCCBr 7a_100009813846_100000210760 [0,2,0,0,0,0|1,0,0]=3 17319 B13R0.54 CC(C)COCCCCCCCCCl 34a_100000033203_100000210624 [0,2,0,0,0,0|1,0,0]=3 17320 B13R0.54 CC(C)COCCCCCCCCCl 7a_100000033203_100000210760 [0,2,0,0,0,0|1,0,0]=3 17321 B13R0.54 CC(C)COCCCCCCCCN 34a_102515433106_100000210624 [0,2,0,0,0,0|1,0,0]=3 17322 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [0,2,0,0,0,0|0,0,0]=2 17323 B13R0.54 CC(C)COCCCCCNCCN 34a_103619048469_100000210624 [0,2,0,0,0,0|2,0,0]=4 17324 B13R0.54 CC(C)COCCCNCCCCF 2230a_100000205972_100000729493 [0,2,0,0,0,0|2,0,0]=4 17325 B13R0.54 CC(C)COCCCNCCCCF 34a_100000205972_100000729493 [0,2,0,0,0,0|2,0,0]=4 17326 B13R0.54 CC(C)COCCCNCCCCO 2230a_100000205972_100000210776 [0,2,0,0,0,0|1,0,0]=3 17327 B13R0.54 CC(C)COCCCNCCCCO 34a_100000205972_100011216708 [0,2,0,0,0,0|1,0,0]=3 17328 B13R0.54 CC(C)COCCOCCCCCF 34a_100000703358_100000729378 [0,2,0,0,0,0|2,0,0]=4 17329 B13R0.54 CC(C)COCCOCCCCCF 7a_100000703358_100000729378 [0,2,0,0,0,0|2,0,0]=4 17330 B13R0.54 CC(C)COCCOCCCCCO 34a_100000703358_100000746330 [0,2,0,0,0,0|1,0,0]=3 17331 B13R0.54 CC(C)COCCOCCCCCO 7a_100000703358_100000746330 [0,2,0,0,0,0|1,0,0]=3 17332 B13R0.54 CC(C)COCCOCCOCCO 34a_100000210257_100000032323 [0,2,0,0,0,0|2,0,0]=4 17333 B13R0.54 CC(C)COCCOCCOCCO 34a_100000703358_100000692535 [0,2,0,0,0,0|2,0,0]=4 17334 B13R0.54 CC(C)COCCOCCOCCO 7a_100000703358_100011215305 [0,2,0,0,0,0|2,0,0]=4 17335 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000033203_100000210760 [0,2,0,0,0,0|0,0,0]=2 17336 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000210624_100000033203 [0,2,0,0,0,0|0,0,0]=2 17337 B13R0.54 CC(C)CSCCOCCCCCF 34a_200000230437_100000729378 [0,2,0,0,0,0|2,0,0]=4 17338 B13R0.54 CC(C)CSCCOCCCCCF 7a_200000230437_100000729378 [0,2,0,0,0,0|2,0,0]=4 17339 B13R0.54 CC(C)CSCCOCCCCCO 34a_200000230437_100000746330 [0,2,0,0,0,0|1,0,0]=3 17340 B13R0.54 CC(C)CSCCOCCCCCO 7a_200000230437_100000746330 [0,2,0,0,0,0|1,0,0]=3 17341 B13R0.54 CC(C)CSCCOCCOCCO 34a_200000230437_100000692535 [0,2,0,0,0,0|2,0,0]=4 17342 B13R0.54 CC(C)CSCCOCCOCCO 62a_100000032323_100000210760 [0,2,0,0,0,0|2,0,0]=4 17343 B13R0.54 CC(C)CSCCOCCOCCO 62a_100000210624_100000032323 [0,2,0,0,0,0|2,0,0]=4 17344 B13R0.54 CC(C)CSCCOCCOCCO 7a_200000230437_100011215305 [0,2,0,0,0,0|2,0,0]=4 17345 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [0,2,0,0,0,0|0,0,0]=2 17346 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [0,2,0,0,0,0|0,0,0]=2 17347 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [0,2,0,0,0,0|0,0,0]=2 17348 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [0,2,0,0,0,0|0,0,0]=2 17349 B13R0.54 CC(C)NCCCCCOCCCF 34a_100011629493_100011934791 [0,2,0,0,0,0|2,0,0]=4 17350 B13R0.54 CC(C)NCCCCCOCCCO 34a_100011629493_100000230001 [0,2,0,0,0,0|1,0,0]=3 17351 B13R0.54 CC(C)NCCCCOCCCCF 34a_100011521146_100000729493 [0,2,0,0,0,0|2,0,0]=4 17352 B13R0.54 CC(C)NCCCCOCCCCO 34a_100011521146_100011216708 [0,2,0,0,0,0|1,0,0]=3 17353 B13R0.54 CC(C)NCCCOCCCCCF 34a_100000182298_100000729378 [0,2,0,0,0,0|2,0,0]=4 17354 B13R0.54 CC(C)NCCCOCCCCCO 34a_100000182298_100000746330 [0,2,0,0,0,0|1,0,0]=3 17355 B13R0.54 CC(C)NCCCOCCOCCO 2230a_100011996194_100000210206 [0,2,0,0,0,0|2,0,0]=4 17356 B13R0.54 CC(C)NCCCOCCOCCO 34a_100000182298_100000692535 [0,2,0,0,0,0|2,0,0]=4 17357 B13R0.54 CC(C)NCCCOCCOCCO 34a_100011996194_100000210206 [0,2,0,0,0,0|2,0,0]=4 17358 B13R0.54 CC(C)NCCOCCCCCCF 34a_100000224655_100015922095 [0,2,0,0,0,0|2,0,0]=4 17359 B13R0.54 CC(C)NCCOCCCCCCO 34a_100000224655_100000766143 [0,2,0,0,0,0|1,0,0]=3 17360 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [0,2,0,0,0,0|1,0,0]=3 17361 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [0,2,0,0,0,0|1,0,0]=3 17362 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [0,2,0,0,0,0|1,0,0]=3 17363 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [0,2,0,0,0,0|1,0,0]=3 17364 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [0,2,0,0,0,0|1,0,0]=3 17365 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,2,0,0,0,0|0,0,0]=2 17366 B13R0.54 CC(C)OCCCNCCCCCF 2230a_100000737246_100000729378 [0,2,0,0,0,0|2,0,0]=4 17367 B13R0.54 CC(C)OCCCNCCCCCF 34a_100000737246_100000729378 [0,2,0,0,0,0|2,0,0]=4 17368 B13R0.54 CC(C)OCCCNCCCCCO 2230a_100000737246_100000746330 [0,2,0,0,0,0|1,0,0]=3 17369 B13R0.54 CC(C)OCCCNCCCCCO 34a_100000737246_100000746330 [0,2,0,0,0,0|1,0,0]=3 17370 B13R0.54 CC(C)OCCCNCCOCCO 2230a_100000737246_100011215305 [0,2,0,0,0,0|2,0,0]=4 17371 B13R0.54 CC(C)OCCCNCCOCCO 34a_100000737246_100000692535 [0,2,0,0,0,0|2,0,0]=4 17372 B13R0.54 CC(C)OCCNCCCCCCF 2230a_100000701111_100015922095 [0,2,0,0,0,0|2,0,0]=4 17373 B13R0.54 CC(C)OCCNCCCCCCF 34a_100000701111_100015922095 [0,2,0,0,0,0|2,0,0]=4 17374 B13R0.54 CC(C)OCCNCCCCCCO 2230a_100000686447_100000211751 [0,2,0,0,0,0|1,0,0]=3 17375 B13R0.54 CC(C)OCCNCCCCCCO 2230a_100000701111_100000766143 [0,2,0,0,0,0|1,0,0]=3 17376 B13R0.54 CC(C)OCCNCCCCCCO 34a_100000686447_100000211751 [0,2,0,0,0,0|1,0,0]=3 17377 B13R0.54 CC(C)OCCNCCCCCCO 34a_100000701111_100000766143 [0,2,0,0,0,0|1,0,0]=3 17378 B13R0.54 CC(C)OCCOCCCCCCBr 34a_100011215345_100000211751 [0,2,0,0,0,0|2,0,0]=4 17379 B13R0.54 CC(C)OCCOCCCCCCBr 7a_100011215345_100000211751 [0,2,0,0,0,0|2,0,0]=4 17380 B13R0.54 CC(C)OCCOCCCCCCCl 34a_100000766143_100000211751 [0,2,0,0,0,0|2,0,0]=4 17381 B13R0.54 CC(C)OCCOCCCCCCCl 7a_100000766143_100000211751 [0,2,0,0,0,0|2,0,0]=4 17382 B13R0.54 CC(C)OCCOCCCCCCF 34a_100000211219_100015922095 [0,2,0,0,0,0|2,0,0]=4 17383 B13R0.54 CC(C)OCCOCCCCCCF 34a_100000732779_100000211751 [0,2,0,0,0,0|2,0,0]=4 17384 B13R0.54 CC(C)OCCOCCCCCCF 7a_100000211219_100015922095 [0,2,0,0,0,0|2,0,0]=4 17385 B13R0.54 CC(C)OCCOCCCCCCF 7a_100000732779_100000211751 [0,2,0,0,0,0|2,0,0]=4 17386 B13R0.54 CC(C)OCCOCCCCCCN 34a_100000686447_100000211751 [0,2,0,0,0,0|2,0,0]=4 17387 B13R0.54 CC(C)OCCOCCCCCCO 34a_100000211219_100000766143 [0,2,0,0,0,0|1,0,0]=3 17388 B13R0.54 CC(C)OCCOCCCCCCO 7a_100000211219_100000766143 [0,2,0,0,0,0|1,0,0]=3 17389 B13R0.54 CC(C)OCCSCCCCCCF 62a_100000211751_100015922095 [0,2,0,0,0,0|2,0,0]=4 17390 B13R0.54 CC(C)OCCSCCCCCCF 62a_100015922095_100000211751 [0,2,0,0,0,0|2,0,0]=4 17391 B13R0.54 CC(C)OCCSCCCCCCO 62a_100000211751_100000766143 [0,2,0,0,0,0|1,0,0]=3 17392 B13R0.54 CC(C)OCCSCCCCCCO 62a_100000766143_100000211751 [0,2,0,0,0,0|1,0,0]=3 17393 B13R0.54 CC(C)OCNCCCCCCCO 2230a_100011996573_100000709892 [0,2,0,0,0,0|1,0,0]=3 17394 B13R0.54 CC(C)OCNCCCCCCCO 34a_100011996573_100000709892 [0,2,0,0,0,0|1,0,0]=3 17395 B13R0.54 CC(C)OCNCCCOCCCO 2230a_100011310245_100000709892 [0,2,0,0,0,0|2,0,0]=4 17396 B13R0.54 CC(C)OCNCCCOCCCO 34a_100011310245_100000709892 [0,2,0,0,0,0|2,0,0]=4 17397 B13R0.54 CC(C)OCOCCCCCCCBr 34a_100000760002_100000709892 [0,2,0,0,0,0|2,0,0]=4 17398 B13R0.54 CC(C)OCOCCCCCCCN 34a_100011996573_100000709892 [0,2,0,0,0,0|2,0,0]=4 17399 B13R0.54 CC(C)OCSCCCCCCCO 62a_100000709892_100000760002 [0,2,0,0,0,0|1,0,0]=3 17400 B13R0.54 CC(C)OCSCCCCCCCO 62a_100000760002_100000709892 [0,2,0,0,0,0|1,0,0]=3 17401 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [0,2,0,0,0,0|0,0,0]=2 17402 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [0,2,0,0,0,0|0,0,0]=2 17403 B13R0.54 CC(C)SCCNCCCCCCF 2230a_100000731138_100015922095 [0,2,0,0,0,0|2,0,0]=4 17404 B13R0.54 CC(C)SCCNCCCCCCF 34a_100000731138_100015922095 [0,2,0,0,0,0|2,0,0]=4 17405 B13R0.54 CC(C)SCCNCCCCCCO 2230a_100000686447_100000730970 [0,2,0,0,0,0|1,0,0]=3 17406 B13R0.54 CC(C)SCCNCCCCCCO 2230a_100000731138_100000766143 [0,2,0,0,0,0|1,0,0]=3 17407 B13R0.54 CC(C)SCCNCCCCCCO 34a_100000686447_100000730970 [0,2,0,0,0,0|1,0,0]=3 17408 B13R0.54 CC(C)SCCNCCCCCCO 34a_100000731138_100000766143 [0,2,0,0,0,0|1,0,0]=3 17409 B13R0.54 CC(C)SCCOCCCCCCBr 34a_100011215345_100000730970 [0,2,0,0,0,0|2,0,0]=4 17410 B13R0.54 CC(C)SCCOCCCCCCBr 7a_100011215345_100000730970 [0,2,0,0,0,0|2,0,0]=4 17411 B13R0.54 CC(C)SCCOCCCCCCCl 34a_100000766143_100000730970 [0,2,0,0,0,0|2,0,0]=4 17412 B13R0.54 CC(C)SCCOCCCCCCCl 7a_100000766143_100000730970 [0,2,0,0,0,0|2,0,0]=4 17413 B13R0.54 CC(C)SCCOCCCCCCF 34a_100000732779_100000730970 [0,2,0,0,0,0|2,0,0]=4 17414 B13R0.54 CC(C)SCCOCCCCCCF 34a_200011212901_100015922095 [0,2,0,0,0,0|2,0,0]=4 17415 B13R0.54 CC(C)SCCOCCCCCCF 7a_100000732779_100000730970 [0,2,0,0,0,0|2,0,0]=4 17416 B13R0.54 CC(C)SCCOCCCCCCF 7a_200011212901_100015922095 [0,2,0,0,0,0|2,0,0]=4 17417 B13R0.54 CC(C)SCCOCCCCCCN 34a_100000686447_100000730970 [0,2,0,0,0,0|2,0,0]=4 17418 B13R0.54 CC(C)SCCOCCCCCCO 34a_200011212901_100000766143 [0,2,0,0,0,0|1,0,0]=3 17419 B13R0.54 CC(C)SCCOCCCCCCO 7a_200011212901_100000766143 [0,2,0,0,0,0|1,0,0]=3 17420 B13R0.54 CC(C)SCCSCCCCCCF 62a_100000730970_100015922095 [0,2,0,0,0,0|2,0,0]=4 17421 B13R0.54 CC(C)SCCSCCCCCCF 62a_100015922095_100000730970 [0,2,0,0,0,0|2,0,0]=4 17422 B13R0.54 CC(C)SCCSCCCCCCO 62a_100000730970_100000766143 [0,2,0,0,0,0|1,0,0]=3 17423 B13R0.54 CC(C)SCCSCCCCCCO 62a_100000766143_100000730970 [0,2,0,0,0,0|1,0,0]=3 17424 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [0,2,0,0,0,0|0,0,0]=2 17425 B13R0.54 CC(F)COCCOCCOCCO 34a_100015925927_100000032323 [0,2,0,0,0,0|2,0,0]=4 17426 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,2,0,0,0,0|0,0,0]=2 17427 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,2,0,0,0,0|0,0,0]=2 17428 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,2,0,0,0,0|1,0,0]=3 17429 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,2,0,0,0,0|1,0,0]=3 17430 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,2,0,0,0,0|1,0,0]=3 17431 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,2,0,0,0,0|1,0,0]=3 17432 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,2,0,0,0,0|1,0,0]=3 17433 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,2,0,0,0,0|1,0,0]=3 17434 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,2,0,0,0,0|1,0,0]=3 17435 B13R0.54 CC(O)CCCSCCCCCC#N 62a_100009813376_200000718107 [0,2,0,0,0,0|1,0,1]=4 17436 B13R0.54 CC(O)CCCSCCCCCC#N 62a_200000718107_100009813376 [0,2,0,0,0,0|1,0,1]=4 17437 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [0,2,0,0,0,0|0,0,2]=4 17438 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [0,2,0,0,0,0|0,0,2]=4 17439 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,2,0,0,0,0|1,0,0]=3 17440 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,2,0,0,0,0|1,0,0]=3 17441 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,2,0,0,0,0|0,0,0]=2 17442 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,2,0,0,0,0|0,0,0]=2 17443 B13R0.54 CC(O)CCNCCCCCCC#N 2230a_200000755665_100009813337 [0,2,0,0,0,0|1,0,1]=4 17444 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,2,0,0,0,0|0,0,0]=2 17445 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,2,0,0,0,0|0,0,0]=2 17446 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,2,0,0,0,0|0,0,0]=2 17447 B13R0.54 CC(O)CCNCCCOCCCO 2230a_100011310245_100012276601 [0,2,0,0,0,0|1,0,0]=3 17448 B13R0.54 CC(O)CCNCCCOCCCO 34a_100011310245_100012276601 [0,2,0,0,0,0|1,0,0]=3 17449 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,2,0,0,0,0|1,0,0]=3 17450 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,2,0,0,0,0|1,0,0]=3 17451 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,2,0,0,0,0|1,0,0]=3 17452 B13R0.54 CC(O)CCOCCCOCCCN 34a_100011310245_100012276601 [0,2,0,0,0,0|2,0,0]=4 17453 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100009813337_100012276601 [0,2,0,0,0,0|1,0,1]=4 17454 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100012276601_100009813337 [0,2,0,0,0,0|1,0,1]=4 17455 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,2,0,0,0,0|0,0,0]=2 17456 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,2,0,0,0,0|0,0,0]=2 17457 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,2,0,0,0,0|0,0,0]=2 17458 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,2,0,0,0,0|0,0,0]=2 17459 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|0,0,0]=2 17460 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,2,0,0,0,0|0,0,0]=2 17461 B13R0.54 CC(O)CNCCOCCOCCO 2230a_100000210904_100000032323 [0,2,0,0,0,0|2,0,0]=4 17462 B13R0.54 CC(O)CNCCOCCOCCO 2230a_100011998139_100011218427 [0,2,0,0,0,0|2,0,0]=4 17463 B13R0.54 CC(O)CNCCOCCOCCO 34a_100000210904_100000032323 [0,2,0,0,0,0|2,0,0]=4 17464 B13R0.54 CC(O)CNCCOCCOCCO 34a_100011998139_100011218427 [0,2,0,0,0,0|2,0,0]=4 17465 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,2,0,0,0,0|1,0,0]=3 17466 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,2,0,0,0,0|1,0,0]=3 17467 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,2,0,0,0,0|1,0,0]=3 17468 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,2,0,0,0,0|1,0,0]=3 17469 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,2,0,0,0,0|1,0,0]=3 17470 B13R0.54 CC(O)COCCCCCNCCN 34a_103619048469_100011218427 [0,2,0,0,0,0|2,0,0]=4 17471 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,2,0,0,0,0|0,0,0]=2 17472 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,2,0,0,0,0|0,0,0]=2 17473 B13R0.54 CC(O)CSCCOCCOCCO 62a_100000032323_100011218427 [0,2,0,0,0,0|2,0,0]=4 17474 B13R0.54 CC(O)CSCCOCCOCCO 62a_100011218427_100000032323 [0,2,0,0,0,0|2,0,0]=4 17475 B13R0.54 CC/C=C/CCCOCCCC(C)O 34a_100016287902_200000718107 [0,2,0,0,0,0|0,0,2]=4 17476 B13R0.54 CC/C=C/CCCOCCCC(C)O 7a_100016287902_200000718107 [0,2,0,0,0,0|0,0,2]=4 17477 B13R0.54 CC/C=C\CCCCCNCC(C)O 269862a_100000210904_100016288537 [0,2,0,0,0,0|0,0,2]=4 17478 B13R0.54 CC/C=C\CCCCCOCC(C)O 34a_100016268722_100011218427 [0,2,0,0,0,0|0,0,2]=4 17479 B13R0.54 CC/C=C\CCCCCOCC(C)O 7a_100016268722_100011218427 [0,2,0,0,0,0|0,0,2]=4 17480 B13R0.54 CC/C=C\CCCCCOC[C@@H](C)O 34a_100016268722_100009817552 [0,2,0,0,0,0|0,0,2]=4 17481 B13R0.54 CC/C=C\CCCCCOC[C@@H](C)O 7a_100016268722_100009817552 [0,2,0,0,0,0|0,0,2]=4 17482 B13R0.54 CC/C=C\CCCCOCCC(C)O 34a_100016287862_100012276601 [0,2,0,0,0,0|0,0,2]=4 17483 B13R0.54 CC/C=C\CCCCOCCC(C)O 7a_100016287862_100012276601 [0,2,0,0,0,0|0,0,2]=4 17484 B13R0.54 CCCC#CCCOCCCC(C)O 34a_100000042726_200000718107 [0,2,0,0,0,0|0,0,2]=4 17485 B13R0.54 CCCC#CCCOCCCC(C)O 7a_100000042726_200000718107 [0,2,0,0,0,0|0,0,2]=4 17486 B13R0.54 CCCC/C=C/COCCCC(C)O 34a_200016272032_200000718107 [0,2,0,0,0,0|0,0,2]=4 17487 B13R0.54 CCCC/C=C/COCCCC(C)O 7a_200016272032_200000718107 [0,2,0,0,0,0|0,0,2]=4 17488 B13R0.54 CCCC/C=C\CCOCCC(C)O 34a_200016286491_100012276601 [0,2,0,0,0,0|0,0,2]=4 17489 B13R0.54 CCCC/C=C\CCOCCC(C)O 7a_200016286491_100012276601 [0,2,0,0,0,0|0,0,2]=4 17490 B13R0.54 CCCCC#CCCCNCC(C)O 2230a_100000210904_200000047210 [0,2,0,0,0,0|0,0,2]=4 17491 B13R0.54 CCCCC#CCCCNCC(C)O 34a_100000210904_200000047210 [0,2,0,0,0,0|0,0,2]=4 17492 B13R0.54 CCCCC#CCCCSCC(C)O 62a_100011218427_200000047210 [0,2,0,0,0,0|0,0,2]=4 17493 B13R0.54 CCCCC#CCCCSCC(C)O 62a_200000047210_100011218427 [0,2,0,0,0,0|0,0,2]=4 17494 B13R0.54 CCCCC#CCCCSC[C@@H](C)O 62a_100009817552_200000047210 [0,2,0,0,0,0|0,0,2]=4 17495 B13R0.54 CCCCC#CCCCSC[C@@H](C)O 62a_200000047210_100009817552 [0,2,0,0,0,0|0,0,2]=4 17496 B13R0.54 CCCCC#CCCOCCC(C)O 34a_100000037610_100012276601 [0,2,0,0,0,0|0,0,2]=4 17497 B13R0.54 CCCCC#CCCOCCC(C)O 7a_100000037610_100012276601 [0,2,0,0,0,0|0,0,2]=4 17498 B13R0.54 CCCCC#CCOCCCC(C)O 34a_200000034558_200000718107 [0,2,0,0,0,0|0,0,2]=4 17499 B13R0.54 CCCCC#CCOCCCC(C)O 7a_200000034558_200000718107 [0,2,0,0,0,0|0,0,2]=4 17500 B13R0.54 CCCCC/C=C/COCCC(C)O 34a_100016258190_100012276601 [0,2,0,0,0,0|0,0,2]=4 17501 B13R0.54 CCCCC/C=C/COCCC(C)O 7a_100016258190_100012276601 [0,2,0,0,0,0|0,0,2]=4 17502 B13R0.54 CCCCC/C=C\CCOCC(C)O 34a_100016277358_100011218427 [0,2,0,0,0,0|0,0,2]=4 17503 B13R0.54 CCCCC/C=C\CCOCC(C)O 7a_100016277358_100011218427 [0,2,0,0,0,0|0,0,2]=4 17504 B13R0.54 CCCCC/C=C\CCOC[C@@H](C)O 34a_100016277358_100009817552 [0,2,0,0,0,0|0,0,2]=4 17505 B13R0.54 CCCCC/C=C\CCOC[C@@H](C)O 7a_100016277358_100009817552 [0,2,0,0,0,0|0,0,2]=4 17506 B13R0.54 CCCCCC#CCCOCC(C)O 34a_200000042877_100011218427 [0,2,0,0,0,0|0,0,2]=4 17507 B13R0.54 CCCCCC#CCCOCC(C)O 7a_200000042877_100011218427 [0,2,0,0,0,0|0,0,2]=4 17508 B13R0.54 CCCCCC#CCCOC[C@@H](C)O 34a_200000042877_100009817552 [0,2,0,0,0,0|0,0,2]=4 17509 B13R0.54 CCCCCC#CCCOC[C@@H](C)O 7a_200000042877_100009817552 [0,2,0,0,0,0|0,0,2]=4 17510 B13R0.54 CCCCCC#CCNCCC(C)O 2230a_200000755665_100009816472 [0,2,0,0,0,0|0,0,2]=4 17511 B13R0.54 CCCCCC#CCOCCC(C)O 34a_200000033628_100012276601 [0,2,0,0,0,0|0,0,2]=4 17512 B13R0.54 CCCCCC#CCOCCC(C)O 7a_200000033628_100012276601 [0,2,0,0,0,0|0,0,2]=4 17513 B13R0.54 CCCCCC#CCSCCC(C)O 62a_100009816472_100012276601 [0,2,0,0,0,0|0,0,2]=4 17514 B13R0.54 CCCCCC#CCSCCC(C)O 62a_100012276601_100009816472 [0,2,0,0,0,0|0,0,2]=4 17515 B13R0.54 CCCCCC/C=C/COCC(C)O 34a_200016276170_100011218427 [0,2,0,0,0,0|0,0,2]=4 17516 B13R0.54 CCCCCC/C=C/COCC(C)O 7a_200016276170_100011218427 [0,2,0,0,0,0|0,0,2]=4 17517 B13R0.54 CCCCCC/C=C/COC[C@@H](C)O 34a_200016276170_100009817552 [0,2,0,0,0,0|0,0,2]=4 17518 B13R0.54 CCCCCC/C=C/COC[C@@H](C)O 7a_200016276170_100009817552 [0,2,0,0,0,0|0,0,2]=4 17519 B13R0.54 CCCCCCC#CCOCC(C)O 34a_200000037284_100011218427 [0,2,0,0,0,0|0,0,2]=4 17520 B13R0.54 CCCCCCC#CCOCC(C)O 7a_200000037284_100011218427 [0,2,0,0,0,0|0,0,2]=4 17521 B13R0.54 CCCCCCC#CCOC[C@@H](C)O 34a_200000037284_100009817552 [0,2,0,0,0,0|0,0,2]=4 17522 B13R0.54 CCCCCCC#CCOC[C@@H](C)O 7a_200000037284_100009817552 [0,2,0,0,0,0|0,0,2]=4 17523 B13R0.54 CCCCCCCC=NNCC(C)O 4a_200000730056_100000210592 [0,2,0,0,0,0|1,0,1]=4 17524 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,2,0,0,0,0|0,0,1]=3 17525 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,2,0,0,0,0|0,0,1]=3 17526 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,2,0,0,0,0|0,0,1]=3 17527 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,2,0,0,0,0|1,0,0]=3 17528 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,2,0,0,0,0|1,0,0]=3 17529 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,2,0,0,0,0|0,0,2]=4 17530 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,2,0,0,0,0|0,0,2]=4 17531 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,2,0,0,0,0|0,0,2]=4 17532 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,2,0,0,0,0|0,0,2]=4 17533 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,2,0,0,0,0|1,0,0]=3 17534 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,2,0,0,0,0|1,0,0]=3 17535 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,2,0,0,0,0|1,0,0]=3 17536 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,2,0,0,0,0|1,0,0]=3 17537 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,2,0,0,0,0|1,0,0]=3 17538 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,2,0,0,0,0|1,0,0]=3 17539 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,2,0,0,0,0|1,0,0]=3 17540 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [0,2,0,0,0,0|1,0,0]=3 17541 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,2,0,0,0,0|0,0,2]=4 17542 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,2,0,0,0,0|0,0,2]=4 17543 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,2,0,0,0,0|0,0,2]=4 17544 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|0,0,1]=3 17545 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,2,0,0,0,0|0,0,2]=4 17546 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,2,0,0,0,0|1,0,0]=3 17547 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,2,0,0,0,0|1,0,0]=3 17548 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,2,0,0,0,0|1,0,0]=3 17549 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,2,0,0,0,0|1,0,0]=3 17550 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,2,0,0,0,0|1,0,0]=3 17551 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,2,0,0,0,0|0,0,0]=2 17552 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,2,0,0,0,0|0,0,0]=2 17553 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,2,0,0,0,0|0,0,0]=2 17554 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,2,0,0,0,0|0,0,0]=2 17555 B13R0.54 CCCCCCCCCNCC(F)F 2230a_100000212291_100011934356 [0,2,0,0,0,0|1,0,0]=3 17556 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000212291_100011934356 [0,2,0,0,0,0|1,0,0]=3 17557 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000765723_100011214924 [0,2,0,0,0,0|1,0,0]=3 17558 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,2,0,0,0,0|0,0,0]=2 17559 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,2,0,0,0,0|0,0,0]=2 17560 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,2,0,0,0,0|1,0,1]=4 17561 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,2,0,0,0,0|0,0,2]=4 17562 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,2,0,0,0,0|0,0,2]=4 17563 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,2,0,0,0,0|0,0,2]=4 17564 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,2,0,0,0,0|0,0,2]=4 17565 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,2,0,0,0,0|1,0,0]=3 17566 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,2,0,0,0,0|1,0,0]=3 17567 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,2,0,0,0,0|1,0,0]=3 17568 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,2,0,0,0,0|1,0,0]=3 17569 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,2,0,0,0,0|1,0,0]=3 17570 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,2,0,0,0,0|0,0,0]=2 17571 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,2,0,0,0,0|0,0,0]=2 17572 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000210712_100011934356 [0,2,0,0,0,0|1,0,0]=3 17573 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000743014_100011214924 [0,2,0,0,0,0|1,0,0]=3 17574 B13R0.54 CCCCCCCCCOCC(F)F 7a_100000210712_100011934356 [0,2,0,0,0,0|1,0,0]=3 17575 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,2,0,0,0,0|1,0,0]=3 17576 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,2,0,0,0,0|1,0,0]=3 17577 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,2,0,0,0,0|0,0,0]=2 17578 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,2,0,0,0,0|0,0,0]=2 17579 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,2,0,0,0,0|1,0,1]=4 17580 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,2,0,0,0,0|0,0,2]=4 17581 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,2,0,0,0,0|0,0,2]=4 17582 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [0,2,0,0,0,0|1,0,0]=3 17583 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,2,0,0,0,0|0,0,0]=2 17584 B13R0.54 CCCCCCCCCSCC(F)F 62a_100011934356_100000210670 [0,2,0,0,0,0|1,0,0]=3 17585 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,2,0,0,0,0|0,0,0]=2 17586 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,2,0,0,0,0|0,0,2]=4 17587 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,2,0,0,0,0|0,0,2]=4 17588 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,2,0,0,0,0|1,0,0]=3 17589 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,2,0,0,0,0|1,0,0]=3 17590 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,2,0,0,0,0|1,0,0]=3 17591 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,2,0,0,0,0|0,0,0]=2 17592 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,2,0,0,0,0|0,0,0]=2 17593 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,2,0,0,0,0|0,0,0]=2 17594 B13R0.54 CCCCCCCCNCOC(C)C 2230a_100000229939_100000709892 [0,2,0,0,0,0|2,0,0]=4 17595 B13R0.54 CCCCCCCCNCOC(C)C 34a_100000229939_100000709892 [0,2,0,0,0,0|2,0,0]=4 17596 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|1,0,1]=4 17597 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,2,0,0,0,0|0,0,2]=4 17598 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,2,0,0,0,0|0,0,2]=4 17599 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,2,0,0,0,0|0,0,2]=4 17600 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,2,0,0,0,0|0,0,2]=4 17601 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,2,0,0,0,0|0,0,2]=4 17602 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,2,0,0,0,0|0,0,2]=4 17603 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,2,0,0,0,0|0,0,2]=4 17604 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,2,0,0,0,0|1,0,0]=3 17605 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,2,0,0,0,0|1,0,0]=3 17606 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,2,0,0,0,0|1,0,0]=3 17607 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,2,0,0,0,0|1,0,0]=3 17608 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,2,0,0,0,0|1,0,0]=3 17609 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,2,0,0,0,0|0,0,0]=2 17610 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,2,0,0,0,0|0,0,0]=2 17611 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [0,2,0,0,0,0|1,0,0]=3 17612 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,2,0,0,0,0|2,0,0]=4 17613 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,2,0,0,0,0|1,0,0]=3 17614 B13R0.54 CCCCCCCCOCOC(C)C 34a_100000210232_100000709892 [0,2,0,0,0,0|2,0,0]=4 17615 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,2,0,0,0,0|0,0,2]=4 17616 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,2,0,0,0,0|0,0,2]=4 17617 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,2,0,0,0,0|0,0,2]=4 17618 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,2,0,0,0,0|0,0,2]=4 17619 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [0,2,0,0,0,0|1,0,0]=3 17620 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [0,2,0,0,0,0|1,0,0]=3 17621 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,2,0,0,0,0|0,0,0]=2 17622 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,2,0,0,0,0|0,0,0]=2 17623 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,2,0,0,0,0|2,0,0]=4 17624 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000210759_100000709892 [0,2,0,0,0,0|2,0,0]=4 17625 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000709892_100000210317 [0,2,0,0,0,0|2,0,0]=4 17626 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,2,0,0,0,0|0,0,2]=4 17627 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,2,0,0,0,0|1,0,0]=3 17628 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,2,0,0,0,0|1,0,0]=3 17629 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,2,0,0,0,0|1,0,0]=3 17630 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,2,0,0,0,0|0,0,0]=2 17631 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,2,0,0,0,0|1,0,1]=4 17632 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000229938_100000211751 [0,2,0,0,0,0|2,0,0]=4 17633 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000701111_100000210681 [0,2,0,0,0,0|2,0,0]=4 17634 B13R0.54 CCCCCCCNCCOC(C)C 34a_100000701111_100000210614 [0,2,0,0,0,0|2,0,0]=4 17635 B13R0.54 CCCCCCCNCCSC(C)C 2230a_100000229938_100000730970 [0,2,0,0,0,0|2,0,0]=4 17636 B13R0.54 CCCCCCCNCCSC(C)C 2230a_100000731138_100000210681 [0,2,0,0,0,0|2,0,0]=4 17637 B13R0.54 CCCCCCCNCCSC(C)C 34a_100000731138_100000210614 [0,2,0,0,0,0|2,0,0]=4 17638 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,2,0,0,0,0|0,0,2]=4 17639 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,2,0,0,0,0|0,0,2]=4 17640 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,2,0,0,0,0|0,0,2]=4 17641 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,2,0,0,0,0|0,0,2]=4 17642 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,2,0,0,0,0|0,0,2]=4 17643 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,2,0,0,0,0|0,0,2]=4 17644 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,2,0,0,0,0|1,0,0]=3 17645 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,2,0,0,0,0|1,0,0]=3 17646 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,2,0,0,0,0|1,0,0]=3 17647 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,2,0,0,0,0|1,0,0]=3 17648 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,2,0,0,0,0|0,0,0]=2 17649 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,2,0,0,0,0|0,0,0]=2 17650 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,2,0,0,0,0|2,0,0]=4 17651 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,2,0,0,0,0|1,0,1]=4 17652 B13R0.54 CCCCCCCOCCNC(C)C 34a_100000224655_100000210614 [0,2,0,0,0,0|2,0,0]=4 17653 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000210272_100000211751 [0,2,0,0,0,0|2,0,0]=4 17654 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000211219_100000210614 [0,2,0,0,0,0|2,0,0]=4 17655 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000210272_100000211751 [0,2,0,0,0,0|2,0,0]=4 17656 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000211219_100000210614 [0,2,0,0,0,0|2,0,0]=4 17657 B13R0.54 CCCCCCCOCCSC(C)C 34a_100000210272_100000730970 [0,2,0,0,0,0|2,0,0]=4 17658 B13R0.54 CCCCCCCOCCSC(C)C 34a_200011212901_100000210614 [0,2,0,0,0,0|2,0,0]=4 17659 B13R0.54 CCCCCCCOCCSC(C)C 7a_100000210272_100000730970 [0,2,0,0,0,0|2,0,0]=4 17660 B13R0.54 CCCCCCCOCCSC(C)C 7a_200011212901_100000210614 [0,2,0,0,0,0|2,0,0]=4 17661 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,2,0,0,0,0|0,0,2]=4 17662 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,2,0,0,0,0|0,0,2]=4 17663 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,2,0,0,0,0|0,0,2]=4 17664 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,2,0,0,0,0|0,0,2]=4 17665 B13R0.54 CCCCCCCSCCCC(C)C 62a_100000210614_100011214892 [0,2,0,0,0,0|1,0,0]=3 17666 B13R0.54 CCCCCCCSCCCC(C)C 62a_100011214892_100000210316 [0,2,0,0,0,0|1,0,0]=3 17667 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,2,0,0,0,0|0,0,0]=2 17668 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,2,0,0,0,0|0,0,0]=2 17669 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,2,0,0,0,0|2,0,0]=4 17670 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000210614_100000211751 [0,2,0,0,0,0|2,0,0]=4 17671 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000211751_100000210316 [0,2,0,0,0,0|2,0,0]=4 17672 B13R0.54 CCCCCCCSCCSC(C)C 62a_100000210614_100000730970 [0,2,0,0,0,0|2,0,0]=4 17673 B13R0.54 CCCCCCCSCCSC(C)C 62a_100000730970_100000210316 [0,2,0,0,0,0|2,0,0]=4 17674 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,2,0,0,0,0|1,0,0]=3 17675 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,2,0,0,0,0|0,0,2]=4 17676 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,2,0,0,0,0|1,0,0]=3 17677 B13R0.54 CCCCCCNCCCOC(C)C 2230a_100000737246_100000210314 [0,2,0,0,0,0|2,0,0]=4 17678 B13R0.54 CCCCCCNCCCOC(C)C 34a_100000737246_100000210314 [0,2,0,0,0,0|2,0,0]=4 17679 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|1,0,1]=4 17680 B13R0.54 CCCCCCNCCOCC(F)F 2230a_100000210581_200012177212 [0,2,0,0,0,0|2,0,0]=4 17681 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,2,0,0,0,0|1,0,0]=3 17682 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,2,0,0,0,0|1,0,0]=3 17683 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,2,0,0,0,0|0,0,2]=4 17684 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,2,0,0,0,0|0,0,2]=4 17685 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,2,0,0,0,0|0,0,2]=4 17686 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,2,0,0,0,0|0,0,2]=4 17687 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,2,0,0,0,0|1,0,0]=3 17688 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,2,0,0,0,0|1,0,0]=3 17689 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,2,0,0,0,0|1,0,0]=3 17690 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,2,0,0,0,0|1,0,0]=3 17691 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,2,0,0,0,0|1,0,1]=4 17692 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,2,0,0,0,0|1,0,1]=4 17693 B13R0.54 CCCCCCOCCCNC(C)C 34a_100000182298_100000210314 [0,2,0,0,0,0|2,0,0]=4 17694 B13R0.54 CCCCCCOCCNCC(C)C 34a_100015185251_100000210314 [0,2,0,0,0,0|2,0,0]=4 17695 B13R0.54 CCCCCCOCCOCC(C)C 34a_100000691444_100000210624 [0,2,0,0,0,0|2,0,0]=4 17696 B13R0.54 CCCCCCOCCOCC(C)C 34a_100000703358_100000210314 [0,2,0,0,0,0|2,0,0]=4 17697 B13R0.54 CCCCCCOCCOCC(C)C 7a_100000691444_100000210760 [0,2,0,0,0,0|2,0,0]=4 17698 B13R0.54 CCCCCCOCCOCC(C)C 7a_100000703358_100000210314 [0,2,0,0,0,0|2,0,0]=4 17699 B13R0.54 CCCCCCOCCOCC(C)O 34a_100000691444_100011218427 [0,2,0,0,0,0|1,0,0]=3 17700 B13R0.54 CCCCCCOCCOCC(C)O 7a_100000691444_100011218427 [0,2,0,0,0,0|1,0,0]=3 17701 B13R0.54 CCCCCCOCCOCC(F)F 34a_100000210259_200012177212 [0,2,0,0,0,0|2,0,0]=4 17702 B13R0.54 CCCCCCOCCOCC(F)F 34a_100000691444_100011934356 [0,2,0,0,0,0|2,0,0]=4 17703 B13R0.54 CCCCCCOCCOCC(F)F 34a_100000704375_100000210314 [0,2,0,0,0,0|2,0,0]=4 17704 B13R0.54 CCCCCCOCCOCC(F)F 7a_100000210259_200012177212 [0,2,0,0,0,0|2,0,0]=4 17705 B13R0.54 CCCCCCOCCOCC(F)F 7a_100000691444_100011934356 [0,2,0,0,0,0|2,0,0]=4 17706 B13R0.54 CCCCCCOCCOCC(F)F 7a_100000704375_100000210314 [0,2,0,0,0,0|2,0,0]=4 17707 B13R0.54 CCCCCCOCCOC[C@@H](C)O 34a_100000691444_100009817552 [0,2,0,0,0,0|1,0,0]=3 17708 B13R0.54 CCCCCCOCCOC[C@@H](C)O 7a_100000691444_100009817552 [0,2,0,0,0,0|1,0,0]=3 17709 B13R0.54 CCCCCCOCCSCC(C)C 34a_200000230437_100000210314 [0,2,0,0,0,0|2,0,0]=4 17710 B13R0.54 CCCCCCOCCSCC(C)C 7a_200000230437_100000210314 [0,2,0,0,0,0|2,0,0]=4 17711 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,2,0,0,0,0|1,0,0]=3 17712 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,2,0,0,0,0|1,0,0]=3 17713 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,2,0,0,0,0|0,0,2]=4 17714 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,2,0,0,0,0|0,0,2]=4 17715 B13R0.54 CCCCCCSCCCCC(C)C 62a_100000210314_100011216152 [0,2,0,0,0,0|1,0,0]=3 17716 B13R0.54 CCCCCCSCCCCC(C)C 62a_100011216152_100000210757 [0,2,0,0,0,0|1,0,0]=3 17717 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,2,0,0,0,0|2,0,0]=4 17718 B13R0.54 CCCCCCSCCOCC(F)F 62a_100000210314_200012177212 [0,2,0,0,0,0|2,0,0]=4 17719 B13R0.54 CCCCCCSCCOCC(F)F 62a_200012177212_100000210757 [0,2,0,0,0,0|2,0,0]=4 17720 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,2,0,0,0,0|1,0,0]=3 17721 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,2,0,0,0,0|0,0,2]=4 17722 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,2,0,0,0,0|1,0,0]=3 17723 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,2,0,0,0,0|1,0,0]=3 17724 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,2,0,0,0,0|1,0,0]=3 17725 B13R0.54 CCCCCNCCCOCC(C)C 2230a_100000205972_100000210326 [0,2,0,0,0,0|2,0,0]=4 17726 B13R0.54 CCCCCNCCCOCC(C)C 34a_100000205972_100000718602 [0,2,0,0,0,0|2,0,0]=4 17727 B13R0.54 CCCCCNCCOCCC(C)C 34a_100000224656_100000210312 [0,2,0,0,0,0|2,0,0]=4 17728 B13R0.54 CCCCCNCCOCCC(C)O 34a_100000224656_100012276601 [0,2,0,0,0,0|1,0,0]=3 17729 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,2,0,0,0,0|1,0,0]=3 17730 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,2,0,0,0,0|1,0,0]=3 17731 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,2,0,0,0,0|0,0,2]=4 17732 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,2,0,0,0,0|0,0,2]=4 17733 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,2,0,0,0,0|0,0,2]=4 17734 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,2,0,0,0,0|0,0,2]=4 17735 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,2,0,0,0,0|0,0,2]=4 17736 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,2,0,0,0,0|1,0,0]=3 17737 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,2,0,0,0,0|1,0,0]=3 17738 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,2,0,0,0,0|1,0,0]=3 17739 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,2,0,0,0,0|1,0,0]=3 17740 B13R0.54 CCCCCOCCCCNC(C)C 34a_100011521146_100000718602 [0,2,0,0,0,0|2,0,0]=4 17741 B13R0.54 CCCCCOCCOCCC(C)C 34a_100011215259_100000210312 [0,2,0,0,0,0|2,0,0]=4 17742 B13R0.54 CCCCCOCCOCCC(C)C 7a_100011215259_100000210626 [0,2,0,0,0,0|2,0,0]=4 17743 B13R0.54 CCCCCOCCOCCC(C)O 34a_100011215259_100012276601 [0,2,0,0,0,0|1,0,0]=3 17744 B13R0.54 CCCCCOCCOCCC(C)O 7a_100011215259_100012276601 [0,2,0,0,0,0|1,0,0]=3 17745 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,2,0,0,0,0|1,0,0]=3 17746 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,2,0,0,0,0|1,0,0]=3 17747 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,2,0,0,0,0|0,0,2]=4 17748 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,2,0,0,0,0|0,0,2]=4 17749 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210326_100000210682 [0,2,0,0,0,0|1,0,0]=3 17750 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210682_100000210326 [0,2,0,0,0,0|1,0,0]=3 17751 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,2,0,0,0,0|1,0,0]=3 17752 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,2,0,0,0,0|1,0,0]=3 17753 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,2,0,0,0,0|1,0,0]=3 17754 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,2,0,0,0,0|1,0,0]=3 17755 B13R0.54 CCCCNCCCCOCC(C)C 34a_200011216965_100000210624 [0,2,0,0,0,0|2,0,0]=4 17756 B13R0.54 CCCCNCCCCOCC(C)O 34a_200011216965_100011218427 [0,2,0,0,0,0|1,0,0]=3 17757 B13R0.54 CCCCNCCCCOCC(F)F 34a_200011216965_100011934356 [0,2,0,0,0,0|2,0,0]=4 17758 B13R0.54 CCCCNCCCCOC[C@@H](C)O 34a_200011216965_100009817552 [0,2,0,0,0,0|1,0,0]=3 17759 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,2,0,0,0,0|1,0,0]=3 17760 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,2,0,0,0,0|1,0,0]=3 17761 B13R0.54 CCCCOCCCCCNC(C)C 34a_100011629493_100000210210 [0,2,0,0,0,0|2,0,0]=4 17762 B13R0.54 CCCCOCCCCOCC(C)C 34a_200000760531_100000210624 [0,2,0,0,0,0|2,0,0]=4 17763 B13R0.54 CCCCOCCCCOCC(C)C 7a_200000760531_100000210760 [0,2,0,0,0,0|2,0,0]=4 17764 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [0,2,0,0,0,0|1,0,0]=3 17765 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [0,2,0,0,0,0|1,0,0]=3 17766 B13R0.54 CCCCOCCCCOCC(F)F 34a_200000760531_100011934356 [0,2,0,0,0,0|2,0,0]=4 17767 B13R0.54 CCCCOCCCCOCC(F)F 7a_200000760531_100011934356 [0,2,0,0,0,0|2,0,0]=4 17768 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [0,2,0,0,0,0|1,0,0]=3 17769 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [0,2,0,0,0,0|1,0,0]=3 17770 B13R0.54 CCCCOCCCNCCC(C)C 2230a_200000211371_100000210312 [0,2,0,0,0,0|2,0,0]=4 17771 B13R0.54 CCCCOCCCNCCC(C)C 269862a_200000211371_100000185833 [0,2,0,0,0,0|2,0,0]=4 17772 B13R0.54 CCCCOCCCNCCC(C)C 34a_200000211371_100000210312 [0,2,0,0,0,0|2,0,0]=4 17773 B13R0.54 CCCCOCCCNCCC(C)O 2230a_200000211371_100012276601 [0,2,0,0,0,0|1,0,0]=3 17774 B13R0.54 CCCCOCCCNCCC(C)O 34a_200000211371_100012276601 [0,2,0,0,0,0|1,0,0]=3 17775 B13R0.54 CCCCOCCCOCCC(C)C 34a_200011215613_100000210312 [0,2,0,0,0,0|2,0,0]=4 17776 B13R0.54 CCCCOCCCOCCC(C)C 7a_200011215613_100000210626 [0,2,0,0,0,0|2,0,0]=4 17777 B13R0.54 CCCCOCCCOCCC(C)O 34a_200011215613_100012276601 [0,2,0,0,0,0|1,0,0]=3 17778 B13R0.54 CCCCOCCCOCCC(C)O 7a_200011215613_100012276601 [0,2,0,0,0,0|1,0,0]=3 17779 B13R0.54 CCCCOCCNCCCC(C)C 2230a_200000737386_100000743108 [0,2,0,0,0,0|2,0,0]=4 17780 B13R0.54 CCCCOCCNCCCC(C)C 34a_200000737386_100000743108 [0,2,0,0,0,0|2,0,0]=4 17781 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210238_100011214892 [0,2,0,0,0,0|2,0,0]=4 17782 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210774_100000743108 [0,2,0,0,0,0|2,0,0]=4 17783 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210238_100011214892 [0,2,0,0,0,0|2,0,0]=4 17784 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210774_100000743108 [0,2,0,0,0,0|2,0,0]=4 17785 B13R0.54 CCCCOCCOCCCC(C)O 34a_100000210238_200000718107 [0,2,0,0,0,0|1,0,0]=3 17786 B13R0.54 CCCCOCCOCCCC(C)O 7a_100000210238_200000718107 [0,2,0,0,0,0|1,0,0]=3 17787 B13R0.54 CCCCOCCSCCCC(C)C 62a_100000743108_100011214892 [0,2,0,0,0,0|2,0,0]=4 17788 B13R0.54 CCCCOCCSCCCC(C)C 62a_100011214892_100000743108 [0,2,0,0,0,0|2,0,0]=4 17789 B13R0.54 CCCCOCCSCCCC(C)O 62a_100000743108_200000718107 [0,2,0,0,0,0|1,0,0]=3 17790 B13R0.54 CCCCOCCSCCCC(C)O 62a_200000718107_100000743108 [0,2,0,0,0,0|1,0,0]=3 17791 B13R0.54 CCCCOCOCCCCC(C)C 34a_100011214890_100011995733 [0,2,0,0,0,0|2,0,0]=4 17792 B13R0.54 CCCCOCSCCCCB(O)O 62a_100011995733_200009817182 [0,2,0,0,0,0|2,0,0]=4 17793 B13R0.54 CCCCOCSCCCCB(O)O 62a_200009817182_100011995733 [0,2,0,0,0,0|2,0,0]=4 17794 B13R0.54 CCCCOCSCCCCC(C)C 62a_100011216152_100011995733 [0,2,0,0,0,0|2,0,0]=4 17795 B13R0.54 CCCCOCSCCCCC(C)C 62a_100011995733_100011216152 [0,2,0,0,0,0|2,0,0]=4 17796 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,2,0,0,0,0|1,0,0]=3 17797 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,2,0,0,0,0|1,0,0]=3 17798 B13R0.54 CCCCSCCNCCCC(C)C 2230a_100025743550_100011214892 [0,2,0,0,0,0|2,0,0]=4 17799 B13R0.54 CCCCSCCNCCCC(C)O 2230a_100025743550_200000718107 [0,2,0,0,0,0|1,0,0]=3 17800 B13R0.54 CCCCSCCOCCCC(C)C 34a_200000230436_100011214892 [0,2,0,0,0,0|2,0,0]=4 17801 B13R0.54 CCCCSCCOCCCC(C)C 7a_200000230436_100011214892 [0,2,0,0,0,0|2,0,0]=4 17802 B13R0.54 CCCCSCCOCCCC(C)O 34a_200000230436_200000718107 [0,2,0,0,0,0|1,0,0]=3 17803 B13R0.54 CCCCSCCOCCCC(C)O 7a_200000230436_200000718107 [0,2,0,0,0,0|1,0,0]=3 17804 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,2,0,0,0,0|1,0,0]=3 17805 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,2,0,0,0,0|1,0,0]=3 17806 B13R0.54 CCCOCCCNCCCC(C)C 2230a_100011217757_100011214892 [0,2,0,0,0,0|2,0,0]=4 17807 B13R0.54 CCCOCCCNCCCC(C)C 34a_100011217757_100011214892 [0,2,0,0,0,0|2,0,0]=4 17808 B13R0.54 CCCOCCCNCCCC(C)O 2230a_100011217757_200000718107 [0,2,0,0,0,0|1,0,0]=3 17809 B13R0.54 CCCOCCCNCCCC(C)O 34a_100011217757_200000718107 [0,2,0,0,0,0|1,0,0]=3 17810 B13R0.54 CCCOCCNCCCCB(O)O 2230a_100161115042_200009817182 [0,2,0,0,0,0|2,0,0]=4 17811 B13R0.54 CCCOCCNCCCCB(O)O 34a_100161115042_200009817182 [0,2,0,0,0,0|2,0,0]=4 17812 B13R0.54 CCCOCCNCCCCC(C)C 2230a_100161115042_100011216152 [0,2,0,0,0,0|2,0,0]=4 17813 B13R0.54 CCCOCCNCCCCC(C)C 34a_100161115042_100011216152 [0,2,0,0,0,0|2,0,0]=4 17814 B13R0.54 CCCOCCOCCCCB(O)O 34a_100000752267_200009817182 [0,2,0,0,0,0|2,0,0]=4 17815 B13R0.54 CCCOCCOCCCCB(O)O 7a_100000752267_200009817182 [0,2,0,0,0,0|2,0,0]=4 17816 B13R0.54 CCCOCCOCCCCC(C)C 34a_100000752267_100011216152 [0,2,0,0,0,0|2,0,0]=4 17817 B13R0.54 CCCOCCOCCCCC(C)C 34a_100011214890_100011215938 [0,2,0,0,0,0|2,0,0]=4 17818 B13R0.54 CCCOCCOCCCCC(C)C 7a_100000752267_100011216152 [0,2,0,0,0,0|2,0,0]=4 17819 B13R0.54 CCCOCCOCCCCC(C)C 7a_100011214890_100011215938 [0,2,0,0,0,0|2,0,0]=4 17820 B13R0.54 CCCOCCOCCNCC(C)O 2230a_200011904461_100011218427 [0,2,0,0,0,0|2,0,0]=4 17821 B13R0.54 CCCOCCOCCNCC(C)O 34a_200011904461_100011218427 [0,2,0,0,0,0|2,0,0]=4 17822 B13R0.54 CCCOCCOCCNC[C@@H](C)O 2230a_200011904461_100009817552 [0,2,0,0,0,0|2,0,0]=4 17823 B13R0.54 CCCOCCOCCNC[C@@H](C)O 34a_200011904461_100009817552 [0,2,0,0,0,0|2,0,0]=4 17824 B13R0.54 CCCOCCSCCCCB(O)O 62a_100011215938_200009817182 [0,2,0,0,0,0|2,0,0]=4 17825 B13R0.54 CCCOCCSCCCCB(O)O 62a_200009817182_100011215938 [0,2,0,0,0,0|2,0,0]=4 17826 B13R0.54 CCCOCCSCCCCC(C)C 62a_100011215938_100011216152 [0,2,0,0,0,0|2,0,0]=4 17827 B13R0.54 CCCOCCSCCCCC(C)C 62a_100011216152_100011215938 [0,2,0,0,0,0|2,0,0]=4 17828 B13R0.54 CCCSCCNCCCCB(O)O 2230a_100020603323_200009817182 [0,2,0,0,0,0|2,0,0]=4 17829 B13R0.54 CCCSCCNCCCCC(C)C 2230a_100020603323_100011216152 [0,2,0,0,0,0|2,0,0]=4 17830 B13R0.54 CCCSCCOCCCCB(O)O 34a_200000230433_200009817182 [0,2,0,0,0,0|2,0,0]=4 17831 B13R0.54 CCCSCCOCCCCB(O)O 7a_200000230433_200009817182 [0,2,0,0,0,0|2,0,0]=4 17832 B13R0.54 CCCSCCOCCCCC(C)C 34a_200000230433_100011216152 [0,2,0,0,0,0|2,0,0]=4 17833 B13R0.54 CCCSCCOCCCCC(C)C 7a_200000230433_100011216152 [0,2,0,0,0,0|2,0,0]=4 17834 B13R0.54 CCOCCCNCCCCB(O)O 2230a_100000210961_200009817182 [0,2,0,0,0,0|2,0,0]=4 17835 B13R0.54 CCOCCCNCCCCB(O)O 34a_100000210961_200009817182 [0,2,0,0,0,0|2,0,0]=4 17836 B13R0.54 CCOCCCNCCCCC(C)C 2230a_100000210961_100011216152 [0,2,0,0,0,0|2,0,0]=4 17837 B13R0.54 CCOCCCNCCCCC(C)C 34a_100000210961_100011216152 [0,2,0,0,0,0|2,0,0]=4 17838 B13R0.54 CCOCCCOCCCCB(O)O 34a_100000757476_200009817182 [0,2,0,0,0,0|2,0,0]=4 17839 B13R0.54 CCOCCCOCCCCB(O)O 7a_100000757476_200009817182 [0,2,0,0,0,0|2,0,0]=4 17840 B13R0.54 CCOCCCOCCCCC(C)C 34a_100000757476_100011216152 [0,2,0,0,0,0|2,0,0]=4 17841 B13R0.54 CCOCCCOCCCCC(C)C 34a_100011214890_100012232248 [0,2,0,0,0,0|2,0,0]=4 17842 B13R0.54 CCOCCCOCCCCC(C)C 7a_100000757476_100011216152 [0,2,0,0,0,0|2,0,0]=4 17843 B13R0.54 CCOCCCOCCCCC(C)C 7a_100011214890_100012232248 [0,2,0,0,0,0|2,0,0]=4 17844 B13R0.54 CCOCCCSCCCCB(O)O 62a_100012232248_200009817182 [0,2,0,0,0,0|2,0,0]=4 17845 B13R0.54 CCOCCCSCCCCB(O)O 62a_200009817182_100012232248 [0,2,0,0,0,0|2,0,0]=4 17846 B13R0.54 CCOCCCSCCCCC(C)C 62a_100011216152_100012232248 [0,2,0,0,0,0|2,0,0]=4 17847 B13R0.54 CCOCCCSCCCCC(C)C 62a_100012232248_100011216152 [0,2,0,0,0,0|2,0,0]=4 17848 B13R0.54 CCOCCNCCCCCB(O)O 2230a_102516460346_200009817188 [0,2,0,0,0,0|2,0,0]=4 17849 B13R0.54 CCOCCNCCCCCB(O)O 34a_102516460346_200009817188 [0,2,0,0,0,0|2,0,0]=4 17850 B13R0.54 CCOCCNCCCCCC(C)C 2230a_100011290863_100011215890 [0,2,0,0,0,0|2,0,0]=4 17851 B13R0.54 CCOCCNCCCCCC(C)C 2230a_102516460346_100000210682 [0,2,0,0,0,0|2,0,0]=4 17852 B13R0.54 CCOCCNCCCCCC(C)C 34a_100011290863_100000210147 [0,2,0,0,0,0|2,0,0]=4 17853 B13R0.54 CCOCCNCCCCCC(C)C 34a_102516460346_100000210682 [0,2,0,0,0,0|2,0,0]=4 17854 B13R0.54 CCOCCOCCCCCB(O)O 34a_100000210136_200009817188 [0,2,0,0,0,0|2,0,0]=4 17855 B13R0.54 CCOCCOCCCCCB(O)O 7a_100000210136_200009817188 [0,2,0,0,0,0|2,0,0]=4 17856 B13R0.54 CCOCCOCCCCCC(C)C 34a_100000210136_100000210682 [0,2,0,0,0,0|2,0,0]=4 17857 B13R0.54 CCOCCOCCCCCC(C)C 34a_100011995859_100000210147 [0,2,0,0,0,0|2,0,0]=4 17858 B13R0.54 CCOCCOCCCCCC(C)C 7a_100000210136_100000210682 [0,2,0,0,0,0|2,0,0]=4 17859 B13R0.54 CCOCCOCCCCCC(C)C 7a_100011995859_100011215890 [0,2,0,0,0,0|2,0,0]=4 17860 B13R0.54 CCOCCOCCNCCC(C)O 2230a_100102712874_100012276601 [0,2,0,0,0,0|2,0,0]=4 17861 B13R0.54 CCOCCOCCNCCC(C)O 2230a_200000755665_100011211534 [0,2,0,0,0,0|2,0,0]=4 17862 B13R0.54 CCOCCOCCNCCC(C)O 34a_100102712874_100012276601 [0,2,0,0,0,0|2,0,0]=4 17863 B13R0.54 CCOCCOCCOCCC(C)O 34a_100000210240_100012276601 [0,2,0,0,0,0|2,0,0]=4 17864 B13R0.54 CCOCCOCCOCCC(C)O 7a_100000210240_100012276601 [0,2,0,0,0,0|2,0,0]=4 17865 B13R0.54 CCOCCOCCSCCC(C)O 62a_100011211534_100012276601 [0,2,0,0,0,0|2,0,0]=4 17866 B13R0.54 CCOCCOCCSCCC(C)O 62a_100012276601_100011211534 [0,2,0,0,0,0|2,0,0]=4 17867 B13R0.54 CCOCCSCCCCCB(O)O 62a_100000210147_200009817188 [0,2,0,0,0,0|2,0,0]=4 17868 B13R0.54 CCOCCSCCCCCB(O)O 62a_200009817188_100011215890 [0,2,0,0,0,0|2,0,0]=4 17869 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210147_100000210682 [0,2,0,0,0,0|2,0,0]=4 17870 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210682_100011215890 [0,2,0,0,0,0|2,0,0]=4 17871 B13R0.54 CCOCSCCCCCCB(O)O 62a_100000739092_100009817187 [0,2,0,0,0,0|2,0,0]=4 17872 B13R0.54 CCOCSCCCCCCB(O)O 62a_100009817187_100000739092 [0,2,0,0,0,0|2,0,0]=4 17873 B13R0.54 CCSCCCOCCCCB(O)O 34a_100011216438_200009817182 [0,2,0,0,0,0|2,0,0]=4 17874 B13R0.54 CCSCCCOCCCCB(O)O 7a_100011216438_200009817182 [0,2,0,0,0,0|2,0,0]=4 17875 B13R0.54 CCSCCCOCCCCC(C)C 34a_100011216438_100011216152 [0,2,0,0,0,0|2,0,0]=4 17876 B13R0.54 CCSCCCOCCCCC(C)C 7a_100011216438_100011216152 [0,2,0,0,0,0|2,0,0]=4 17877 B13R0.54 CCSCCNCCCCCB(O)O 2230a_100000106463_200009817188 [0,2,0,0,0,0|2,0,0]=4 17878 B13R0.54 CCSCCNCCCCCC(C)C 2230a_100000106463_100000210682 [0,2,0,0,0,0|2,0,0]=4 17879 B13R0.54 CCSCCNCCCCCC(C)C 2230a_100011290863_100000757381 [0,2,0,0,0,0|2,0,0]=4 17880 B13R0.54 CCSCCNCCCCCC(C)C 34a_100011290863_100000757381 [0,2,0,0,0,0|2,0,0]=4 17881 B13R0.54 CCSCCOCCCCCB(O)O 34a_100000212035_200009817188 [0,2,0,0,0,0|2,0,0]=4 17882 B13R0.54 CCSCCOCCCCCB(O)O 7a_100000212035_200009817188 [0,2,0,0,0,0|2,0,0]=4 17883 B13R0.54 CCSCCOCCCCCC(C)C 34a_100000212035_100000210682 [0,2,0,0,0,0|2,0,0]=4 17884 B13R0.54 CCSCCOCCCCCC(C)C 34a_100011995859_100000757381 [0,2,0,0,0,0|2,0,0]=4 17885 B13R0.54 CCSCCOCCCCCC(C)C 7a_100000212035_100000210682 [0,2,0,0,0,0|2,0,0]=4 17886 B13R0.54 CCSCCOCCCCCC(C)C 7a_100011995859_100000757381 [0,2,0,0,0,0|2,0,0]=4 17887 B13R0.54 CCSCCSCCCCCB(O)O 62a_100000757381_200009817188 [0,2,0,0,0,0|2,0,0]=4 17888 B13R0.54 CCSCCSCCCCCB(O)O 62a_200009817188_100000757381 [0,2,0,0,0,0|2,0,0]=4 17889 B13R0.54 CCSCCSCCCCCC(C)C 62a_100000210682_100000757381 [0,2,0,0,0,0|2,0,0]=4 17890 B13R0.54 CCSCCSCCCCCC(C)C 62a_100000757381_100000210682 [0,2,0,0,0,0|2,0,0]=4 17891 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,2,0,0,0,0|0,0,0]=2 17892 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,2,0,0,0,0|0,0,0]=2 17893 B13R0.54 CN(C)CCCCSCCCCCF 62a_100000729378_100000690147 [0,2,0,0,0,0|2,0,0]=4 17894 B13R0.54 CN(C)CCCCSCCCCCO 62a_100000746330_100000690147 [0,2,0,0,0,0|1,0,0]=3 17895 B13R0.54 CN(C)CCCCSCCOCCO 62a_100011215305_100000690147 [0,2,0,0,0,0|2,0,0]=4 17896 B13R0.54 CN(C)CCCOCCCCCCBr 7a_100011215345_100000757444 [0,2,0,0,0,0|2,0,0]=4 17897 B13R0.54 CN(C)CCCOCCCCCCCl 7a_100000766143_100000757444 [0,2,0,0,0,0|2,0,0]=4 17898 B13R0.54 CN(C)CCCOCCCCCCF 7a_100000732779_100000757444 [0,2,0,0,0,0|2,0,0]=4 17899 B13R0.54 CN(C)CCCSCCCCCCF 62a_100015922095_100000757444 [0,2,0,0,0,0|2,0,0]=4 17900 B13R0.54 CN(C)CCCSCCCCCCO 62a_100000766143_100000757444 [0,2,0,0,0,0|1,0,0]=3 17901 B13R0.54 CN(C)CCOCCCCCCCBr 7a_100000760002_100000755713 [0,2,0,0,0,0|2,0,0]=4 17902 B13R0.54 CN(C)CCSCCCCCCCO 62a_100000760002_100000755713 [0,2,0,0,0,0|1,0,0]=3 17903 B13R0.54 CNCCCCCOCCCC(C)C 34a_100000722520_100011214892 [0,2,0,0,0,0|2,0,0]=4 17904 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,2,0,0,0,0|1,0,0]=3 17905 B13R0.54 CNCCCOCCCCCB(O)O 34a_100000213112_200009817188 [0,2,0,0,0,0|2,0,0]=4 17906 B13R0.54 CNCCCOCCCCCC(C)C 34a_100000213112_100000210682 [0,2,0,0,0,0|2,0,0]=4 17907 B13R0.54 CNCCOCCOCCCC(C)O 34a_100000228057_200000718107 [0,2,0,0,0,0|2,0,0]=4 17908 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,2,0,0,0,0|1,0,0]=3 17909 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|1,0,1]=4 17910 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|1,0,1]=4 17911 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|1,0,1]=4 17912 B13R0.54 COCCCCCCOCCC(C)Br 34a_100009893172_100011998445 [0,2,0,0,0,0|1,0,0]=3 17913 B13R0.54 COCCCCCCOCCC(C)C 34a_100000210254_100011998445 [0,2,0,0,0,0|1,0,0]=3 17914 B13R0.54 COCCCCCCOCCC(C)C 34a_200012092642_100000210312 [0,2,0,0,0,0|1,0,0]=3 17915 B13R0.54 COCCCCCCOCCC(C)C 7a_100000210254_100011998445 [0,2,0,0,0,0|1,0,0]=3 17916 B13R0.54 COCCCCCCOCCC(C)C 7a_200012092642_100000210626 [0,2,0,0,0,0|1,0,0]=3 17917 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,2,0,0,0,0|1,0,0]=3 17918 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,2,0,0,0,0|1,0,0]=3 17919 B13R0.54 COCCCCCCOCCC(F)F 34a_100103093639_100011998445 [0,2,0,0,0,0|2,0,0]=4 17920 B13R0.54 COCCCCCCOCCN(C)C 7a_200012092642_100000755713 [0,2,0,0,0,0|2,0,0]=4 17921 B13R0.54 COCCCCCCOCC[C@@H](C)N 34a_100000706166_100011998445 [0,2,0,0,0,0|1,0,0]=3 17922 B13R0.54 COCCCCCCOCOC(C)C 34a_200012092642_100000709892 [0,2,0,0,0,0|2,0,0]=4 17923 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,2,0,0,0,0|1,0,1]=4 17924 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,2,0,0,0,0|1,0,1]=4 17925 B13R0.54 COCCCCCCSCCC(C)C 62a_100000210312_100011998445 [0,2,0,0,0,0|1,0,0]=3 17926 B13R0.54 COCCCCCCSCCC(C)C 62a_100011998445_100000210312 [0,2,0,0,0,0|1,0,0]=3 17927 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,2,0,0,0,0|1,0,0]=3 17928 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,2,0,0,0,0|1,0,0]=3 17929 B13R0.54 COCCCCCCSCCN(C)C 62a_100011998445_100000755713 [0,2,0,0,0,0|2,0,0]=4 17930 B13R0.54 COCCCCCCSCOC(C)C 62a_100000709892_100011998445 [0,2,0,0,0,0|2,0,0]=4 17931 B13R0.54 COCCCCCCSCOC(C)C 62a_100011998445_100000709892 [0,2,0,0,0,0|2,0,0]=4 17932 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,2,0,0,0,0|1,0,1]=4 17933 B13R0.54 COCCCCCNCCCC(C)C 2230a_100000747528_100011214892 [0,2,0,0,0,0|1,0,0]=3 17934 B13R0.54 COCCCCCNCCCC(C)C 34a_100000747528_100011214892 [0,2,0,0,0,0|1,0,0]=3 17935 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,2,0,0,0,0|1,0,0]=3 17936 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,2,0,0,0,0|1,0,0]=3 17937 B13R0.54 COCCCCCNCCOC(C)C 2230a_100000747528_100000211751 [0,2,0,0,0,0|2,0,0]=4 17938 B13R0.54 COCCCCCNCCOC(C)C 34a_100000747528_100000211751 [0,2,0,0,0,0|2,0,0]=4 17939 B13R0.54 COCCCCCNCCSC(C)C 2230a_100000747528_100000730970 [0,2,0,0,0,0|2,0,0]=4 17940 B13R0.54 COCCCCCNCCSC(C)C 34a_100000747528_100000730970 [0,2,0,0,0,0|2,0,0]=4 17941 B13R0.54 COCCCCNCCCOC(C)C 2230a_100000737246_100000730899 [0,2,0,0,0,0|2,0,0]=4 17942 B13R0.54 COCCCCNCCCOC(C)C 34a_100000737246_100000755781 [0,2,0,0,0,0|2,0,0]=4 17943 B13R0.54 COCCCCOCCCCB(O)O 34a_100000740925_200009817182 [0,2,0,0,0,0|2,0,0]=4 17944 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,2,0,0,0,0|1,0,1]=4 17945 B13R0.54 COCCCCOCCCCC(C)C 34a_100000740925_100011216152 [0,2,0,0,0,0|1,0,0]=3 17946 B13R0.54 COCCCCOCCCCC(C)C 34a_100011214890_100000755781 [0,2,0,0,0,0|1,0,0]=3 17947 B13R0.54 COCCCCOCCCCC(C)C 7a_100011214890_100000730899 [0,2,0,0,0,0|1,0,0]=3 17948 B13R0.54 COCCCCOCCCNC(C)C 34a_100000182298_100000755781 [0,2,0,0,0,0|2,0,0]=4 17949 B13R0.54 COCCCCOCCNCC(C)C 34a_100015185251_100000755781 [0,2,0,0,0,0|2,0,0]=4 17950 B13R0.54 COCCCCOCCOCC(C)C 34a_100000703358_100000755781 [0,2,0,0,0,0|2,0,0]=4 17951 B13R0.54 COCCCCOCCOCC(C)C 7a_100000703358_100000730899 [0,2,0,0,0,0|2,0,0]=4 17952 B13R0.54 COCCCCOCCSCC(C)C 34a_200000230437_100000755781 [0,2,0,0,0,0|2,0,0]=4 17953 B13R0.54 COCCCCOCCSCC(C)C 7a_200000230437_100000730899 [0,2,0,0,0,0|2,0,0]=4 17954 B13R0.54 COCCCCSCCCCB(O)O 62a_100000730899_200009817182 [0,2,0,0,0,0|2,0,0]=4 17955 B13R0.54 COCCCCSCCCCB(O)O 62a_200009817182_100000730899 [0,2,0,0,0,0|2,0,0]=4 17956 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,2,0,0,0,0|1,0,1]=4 17957 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,2,0,0,0,0|1,0,1]=4 17958 B13R0.54 COCCCCSCCCCC(C)C 62a_100000730899_100011216152 [0,2,0,0,0,0|1,0,0]=3 17959 B13R0.54 COCCCCSCCCCC(C)C 62a_100011216152_100000730899 [0,2,0,0,0,0|1,0,0]=3 17960 B13R0.54 COCCCCSCCCCN(C)C 62a_100000730899_100000690147 [0,2,0,0,0,0|2,0,0]=4 17961 B13R0.54 COCCCNCCCCCB(O)O 34a_100150723488_200009817188 [0,2,0,0,0,0|2,0,0]=4 17962 B13R0.54 COCCCNCCCCCC(C)C 2230a_100011290863_100000740836 [0,2,0,0,0,0|1,0,0]=3 17963 B13R0.54 COCCCNCCCCCC(C)C 34a_100011290863_100000740836 [0,2,0,0,0,0|1,0,0]=3 17964 B13R0.54 COCCCNCCCCCC(C)C 34a_100150723488_100000210682 [0,2,0,0,0,0|1,0,0]=3 17965 B13R0.54 COCCCNCCCOCC(C)C 2230a_100000205972_100000740836 [0,2,0,0,0,0|2,0,0]=4 17966 B13R0.54 COCCCNCCCOCC(C)C 34a_100000205972_100000740836 [0,2,0,0,0,0|2,0,0]=4 17967 B13R0.54 COCCCOCCCCCB(O)O 34a_100000740835_200009817188 [0,2,0,0,0,0|2,0,0]=4 17968 B13R0.54 COCCCOCCCCCC(C)C 34a_100000740835_100000210682 [0,2,0,0,0,0|1,0,0]=3 17969 B13R0.54 COCCCOCCCCCC(C)C 34a_100011995859_100000740836 [0,2,0,0,0,0|1,0,0]=3 17970 B13R0.54 COCCCOCCCCCC(C)C 7a_100011995859_100000740836 [0,2,0,0,0,0|1,0,0]=3 17971 B13R0.54 COCCCOCCCCNC(C)C 34a_100011521146_100000740836 [0,2,0,0,0,0|2,0,0]=4 17972 B13R0.54 COCCCOCCCOCC(C)C 34a_200011215475_100000210624 [0,2,0,0,0,0|2,0,0]=4 17973 B13R0.54 COCCCOCCCOCC(C)C 7a_200011215475_100000210760 [0,2,0,0,0,0|2,0,0]=4 17974 B13R0.54 COCCCOCCCOCC(C)O 34a_200011215475_100011218427 [0,2,0,0,0,0|2,0,0]=4 17975 B13R0.54 COCCCOCCCOCC(C)O 7a_200011215475_100011218427 [0,2,0,0,0,0|2,0,0]=4 17976 B13R0.54 COCCCOCCCOC[C@@H](C)O 34a_200011215475_100009817552 [0,2,0,0,0,0|2,0,0]=4 17977 B13R0.54 COCCCOCCCOC[C@@H](C)O 7a_200011215475_100009817552 [0,2,0,0,0,0|2,0,0]=4 17978 B13R0.54 COCCCSCCCCCB(O)O 62a_100000709357_200009817188 [0,2,0,0,0,0|2,0,0]=4 17979 B13R0.54 COCCCSCCCCCB(O)O 62a_200009817188_100000709357 [0,2,0,0,0,0|2,0,0]=4 17980 B13R0.54 COCCCSCCCCCC(C)C 62a_100000210682_100000709357 [0,2,0,0,0,0|1,0,0]=3 17981 B13R0.54 COCCCSCCCCCC(C)C 62a_100000709357_100000210682 [0,2,0,0,0,0|1,0,0]=3 17982 B13R0.54 COCCNCCCCCCB(O)O 2230a_100000209980_100009817187 [0,2,0,0,0,0|2,0,0]=4 17983 B13R0.54 COCCNCCCCCCC(C)C 2230a_100000211014_100011201679 [0,2,0,0,0,0|1,0,0]=3 17984 B13R0.54 COCCNCCCCCCC(C)C 34a_100000211014_100011201679 [0,2,0,0,0,0|1,0,0]=3 17985 B13R0.54 COCCOCCCCCCB(O)O 34a_100000210237_100009817187 [0,2,0,0,0,0|2,0,0]=4 17986 B13R0.54 COCCOCCCCCNC(C)C 34a_100011629493_100011201679 [0,2,0,0,0,0|2,0,0]=4 17987 B13R0.54 COCCOCCCNCCC(C)C 2230a_100000206027_100000210312 [0,2,0,0,0,0|2,0,0]=4 17988 B13R0.54 COCCOCCCNCCC(C)C 269862a_100000206027_100000185833 [0,2,0,0,0,0|2,0,0]=4 17989 B13R0.54 COCCOCCCNCCC(C)C 34a_100000206027_100000210312 [0,2,0,0,0,0|2,0,0]=4 17990 B13R0.54 COCCOCCCNCCC(C)O 2230a_100000206027_100012276601 [0,2,0,0,0,0|2,0,0]=4 17991 B13R0.54 COCCOCCCNCCC(C)O 2230a_200000755665_100011216529 [0,2,0,0,0,0|2,0,0]=4 17992 B13R0.54 COCCOCCCNCCC(C)O 34a_100000206027_100012276601 [0,2,0,0,0,0|2,0,0]=4 17993 B13R0.54 COCCOCCCOCCC(C)Br 34a_100009893172_100011216529 [0,2,0,0,0,0|2,0,0]=4 17994 B13R0.54 COCCOCCCOCCC(C)C 34a_100000210254_100011216529 [0,2,0,0,0,0|2,0,0]=4 17995 B13R0.54 COCCOCCCOCCC(C)C 7a_100000210254_100011216529 [0,2,0,0,0,0|2,0,0]=4 17996 B13R0.54 COCCOCCCOCC[C@@H](C)N 34a_100000706166_100011216529 [0,2,0,0,0,0|2,0,0]=4 17997 B13R0.54 COCCOCCCSCCC(C)C 62a_100000210312_100011216529 [0,2,0,0,0,0|2,0,0]=4 17998 B13R0.54 COCCOCCCSCCC(C)C 62a_100011216529_100000210312 [0,2,0,0,0,0|2,0,0]=4 17999 B13R0.54 COCCOCCCSCCC(C)O 62a_100011216529_100012276601 [0,2,0,0,0,0|2,0,0]=4 18000 B13R0.54 COCCOCCCSCCC(C)O 62a_100012276601_100011216529 [0,2,0,0,0,0|2,0,0]=4 18001 B13R0.54 COCCOCCNCCCC(C)C 2230a_100000745349_100011214892 [0,2,0,0,0,0|2,0,0]=4 18002 B13R0.54 COCCOCCNCCCC(C)C 2230a_200000737386_100000695917 [0,2,0,0,0,0|2,0,0]=4 18003 B13R0.54 COCCOCCNCCCC(C)C 34a_100000745349_100011214892 [0,2,0,0,0,0|2,0,0]=4 18004 B13R0.54 COCCOCCNCCCC(C)C 34a_200000737386_100000695917 [0,2,0,0,0,0|2,0,0]=4 18005 B13R0.54 COCCOCCNCCCC(C)O 2230a_100000745349_200000718107 [0,2,0,0,0,0|2,0,0]=4 18006 B13R0.54 COCCOCCNCCCC(C)O 34a_100000745349_200000718107 [0,2,0,0,0,0|2,0,0]=4 18007 B13R0.54 COCCOCCOCCCC(C)C 34a_100000210774_100000695917 [0,2,0,0,0,0|2,0,0]=4 18008 B13R0.54 COCCOCCOCCCC(C)C 34a_100011215163_100011214892 [0,2,0,0,0,0|2,0,0]=4 18009 B13R0.54 COCCOCCOCCCC(C)C 7a_100000210774_100000695917 [0,2,0,0,0,0|2,0,0]=4 18010 B13R0.54 COCCOCCOCCCC(C)C 7a_100011215163_100011214892 [0,2,0,0,0,0|2,0,0]=4 18011 B13R0.54 COCCOCCOCCCC(C)O 34a_100011215163_200000718107 [0,2,0,0,0,0|2,0,0]=4 18012 B13R0.54 COCCOCCOCCCC(C)O 7a_100011215163_200000718107 [0,2,0,0,0,0|2,0,0]=4 18013 B13R0.54 COCCOCCSCCCC(C)C 62a_100000695917_100011214892 [0,2,0,0,0,0|2,0,0]=4 18014 B13R0.54 COCCOCCSCCCC(C)C 62a_100011214892_100000695917 [0,2,0,0,0,0|2,0,0]=4 18015 B13R0.54 COCCOCCSCCCC(C)O 62a_100000695917_200000718107 [0,2,0,0,0,0|2,0,0]=4 18016 B13R0.54 COCCOCCSCCCC(C)O 62a_200000718107_100000695917 [0,2,0,0,0,0|2,0,0]=4 18017 B13R0.54 COCCOCSCCCCC(C)C 62a_100000231047_100011216152 [0,2,0,0,0,0|2,0,0]=4 18018 B13R0.54 COCCOCSCCCCC(C)C 62a_100011216152_100000231047 [0,2,0,0,0,0|2,0,0]=4 18019 B13R0.54 COCCSCCCCCCB(O)O 62a_100000233755_100009817187 [0,2,0,0,0,0|2,0,0]=4 18020 B13R0.54 COCCSCCCCCCB(O)O 62a_100009817187_100000233755 [0,2,0,0,0,0|2,0,0]=4 18021 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,2,0,0,0,0|2,0,0]=4 18022 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,2,0,0,0,0|1,0,0]=3 18023 B13R0.54 CSCCCCOCCCCB(O)O 34a_100011217163_200009817182 [0,2,0,0,0,0|2,0,0]=4 18024 B13R0.54 CSCCCCOCCCCB(O)O 7a_100011217163_200009817182 [0,2,0,0,0,0|2,0,0]=4 18025 B13R0.54 CSCCCCOCCCCC(C)C 34a_100011217163_100011216152 [0,2,0,0,0,0|1,1,0]=4 18026 B13R0.54 CSCCCCOCCCCC(C)C 7a_100011217163_100011216152 [0,2,0,0,0,0|1,1,0]=4 18027 B13R0.54 CSCCCNCCCCCB(O)O 2230a_100000749238_200009817188 [0,2,0,0,0,0|2,0,0]=4 18028 B13R0.54 CSCCCNCCCCCC(C)C 2230a_100000749238_100000210682 [0,2,0,0,0,0|1,1,0]=4 18029 B13R0.54 CSCCCOCCCCCB(O)O 34a_100000690336_200009817188 [0,2,0,0,0,0|2,0,0]=4 18030 B13R0.54 CSCCCOCCCCCB(O)O 7a_100000690336_200009817188 [0,2,0,0,0,0|2,0,0]=4 18031 B13R0.54 CSCCCOCCCCCC(C)C 34a_100000690336_100000210682 [0,2,0,0,0,0|1,1,0]=4 18032 B13R0.54 CSCCCOCCCCCC(C)C 7a_100000690336_100000210682 [0,2,0,0,0,0|1,1,0]=4 18033 B13R0.54 CSCCNCCCCCCB(O)O 2230a_100020590264_100009817187 [0,2,0,0,0,0|2,0,0]=4 18034 B13R0.54 CSCCNCCCCCCC(C)C 2230a_100000211014_100000751147 [0,2,0,0,0,0|1,1,0]=4 18035 B13R0.54 CSCCNCCCCCCC(C)C 34a_100000211014_100000212216 [0,2,0,0,0,0|1,1,0]=4 18036 B13R0.54 CSCCOCCCCCCB(O)O 34a_100000230434_100009817187 [0,2,0,0,0,0|2,0,0]=4 18037 B13R0.54 CSCCOCCCCCCB(O)O 7a_100000230434_100009817187 [0,2,0,0,0,0|2,0,0]=4 18038 B13R0.54 CSCCSCCCCCCB(O)O 62a_100000212216_100009817187 [0,2,0,0,0,0|2,0,0]=4 18039 B13R0.54 CSCCSCCCCCCB(O)O 62a_100009817187_100000751147 [0,2,0,0,0,0|2,0,0]=4 18040 B13R0.54 CSCOCCCCCCCC(C)C 34a_200000210741_100011218213 [0,2,0,0,0,0|1,1,0]=4 18041 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,2,0,0,0,0|0,0,0]=2 18042 B13R0.54 C[C@@H](Cl)COCCOCCOCCO 34a_100016084084_100000032323 [0,2,0,0,0,0|2,0,0]=4 18043 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [0,2,0,0,0,0|0,0,0]=2 18044 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [0,2,0,0,0,0|0,0,0]=2 18045 B13R0.54 C[C@@H](N)COCCOCCOCCO 34a_100000737577_100000032323 [0,2,0,0,0,0|2,0,0]=4 18046 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,2,0,0,0,0|0,0,0]=2 18047 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,2,0,0,0,0|0,0,0]=2 18048 B13R0.54 C[C@@H](O)CNCCOCCOCCO 2230a_100011998139_100009817552 [0,2,0,0,0,0|2,0,0]=4 18049 B13R0.54 C[C@@H](O)CNCCOCCOCCO 34a_100011998139_100009817552 [0,2,0,0,0,0|2,0,0]=4 18050 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,2,0,0,0,0|1,0,0]=3 18051 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,2,0,0,0,0|1,0,0]=3 18052 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,2,0,0,0,0|1,0,0]=3 18053 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,2,0,0,0,0|1,0,0]=3 18054 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,2,0,0,0,0|1,0,0]=3 18055 B13R0.54 C[C@@H](O)COCCCCCNCCN 34a_103619048469_100009817552 [0,2,0,0,0,0|2,0,0]=4 18056 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,2,0,0,0,0|0,0,0]=2 18057 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,2,0,0,0,0|0,0,0]=2 18058 B13R0.54 C[C@@H](O)CSCCOCCOCCO 62a_100000032323_100009817552 [0,2,0,0,0,0|2,0,0]=4 18059 B13R0.54 C[C@@H](O)CSCCOCCOCCO 62a_100009817552_100000032323 [0,2,0,0,0,0|2,0,0]=4 18060 B13R0.54 FC(F)COCCCCCCCCBr 34a_100009813846_100011934356 [0,2,0,0,0,0|2,0,0]=4 18061 B13R0.54 FC(F)COCCCCCCCCBr 7a_100009813846_100011934356 [0,2,0,0,0,0|2,0,0]=4 18062 B13R0.54 FC(F)COCCCCCCCCCl 34a_100000033203_100011934356 [0,2,0,0,0,0|2,0,0]=4 18063 B13R0.54 FC(F)COCCCCCCCCCl 7a_100000033203_100011934356 [0,2,0,0,0,0|2,0,0]=4 18064 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,2,0,0,0,0|1,0,1]=4 18065 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,1]=4 18066 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,2,0,0,0,0|1,0,1]=4 18067 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,2,0,0,0,0|1,0,1]=4 18068 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,2,0,0,0,0|1,0,1]=4 18069 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,2,0,0,0,0|1,0,1]=4 18070 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,2,0,0,0,0|1,0,1]=4 18071 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,2,0,0,0,0|1,0,1]=4 18072 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,2,0,0,0,0|1,0,1]=4 18073 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,1]=4 18074 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,2,0,0,0,0|1,0,1]=4 18075 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,2,0,0,0,0|1,0,1]=4 18076 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,2,0,0,0,0|1,0,1]=4 18077 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,2,0,0,0,0|1,0,1]=4 18078 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,1]=4 18079 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,2,0,0,0,0|1,0,1]=4 18080 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,2,0,0,0,0|1,0,1]=4 18081 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,2,0,0,0,0|1,0,1]=4 18082 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,2,0,0,0,0|1,0,1]=4 18083 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,2,0,0,0,0|1,0,1]=4 18084 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,2,0,0,0,0|1,0,1]=4 18085 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,1]=4 18086 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,2,0,0,0,0|1,0,1]=4 18087 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,2,0,0,0,0|1,0,1]=4 18088 B13R0.54 NCCCCCCCCOCC(F)F 34a_102515433106_100011934356 [0,2,0,0,0,0|2,0,0]=4 18089 B13R0.54 NCCCCCOCCCCB(O)O 34a_100000762737_200009817182 [0,2,0,0,0,0|2,0,0]=4 18090 B13R0.54 NCCCCOCCCCCB(O)O 34a_100000750430_200009817188 [0,2,0,0,0,0|2,0,0]=4 18091 B13R0.54 NCCCOCCCCCCB(O)O 34a_100000182051_100009817187 [0,2,0,0,0,0|2,0,0]=4 18092 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|1,0,1]=4 18093 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,2,0,0,0,0|1,0,1]=4 18094 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,1]=4 18095 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,2,0,0,0,0|1,0,1]=4 18096 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,2,0,0,0,0|1,0,1]=4 18097 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 18098 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 18099 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,2,0,0,0,0|2,0,0]=4 18100 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,2,0,0,0,0|2,0,0]=4 18101 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,2,0,0,0,0|2,0,0]=4 18102 B13R0.54 OB(O)CCCCCCNCCCF 2230a_100015189416_100009817187 [0,2,0,0,0,0|2,0,0]=4 18103 B13R0.54 OB(O)CCCCCCNCCCF 34a_100015189416_100009817187 [0,2,0,0,0,0|2,0,0]=4 18104 B13R0.54 OB(O)CCCCCCOCCCBr 34a_100011217188_100009817187 [0,2,0,0,0,0|2,0,0]=4 18105 B13R0.54 OB(O)CCCCCCOCCCCl 34a_100000230001_100009817187 [0,2,0,0,0,0|2,0,0]=4 18106 B13R0.54 OB(O)CCCCCCOCCCF 34a_100000759539_100009817187 [0,2,0,0,0,0|2,0,0]=4 18107 B13R0.54 OB(O)CCCCCCSCCCF 62a_100009817187_100011934791 [0,2,0,0,0,0|2,0,0]=4 18108 B13R0.54 OB(O)CCCCCCSCCCF 62a_100011934791_100009817187 [0,2,0,0,0,0|2,0,0]=4 18109 B13R0.54 OB(O)CCCCCOCCCCBr 34a_100011216708_200009817188 [0,2,0,0,0,0|2,0,0]=4 18110 B13R0.54 OB(O)CCCCCOCCCCCl 34a_100000210776_200009817188 [0,2,0,0,0,0|2,0,0]=4 18111 B13R0.54 OB(O)CCCCCOCCCCCl 7a_100000210776_200009817188 [0,2,0,0,0,0|2,0,0]=4 18112 B13R0.54 OB(O)CCCCCOCCCCF 34a_100011995726_200009817188 [0,2,0,0,0,0|2,0,0]=4 18113 B13R0.54 OB(O)CCCCCOCCCCF 7a_100011995726_200009817188 [0,2,0,0,0,0|2,0,0]=4 18114 B13R0.54 OB(O)CCCCCOCCCCI 34a_200012148704_200009817188 [0,2,0,0,0,0|2,0,0]=4 18115 B13R0.54 OB(O)CCCCCSCCCCF 62a_100000729493_200009817188 [0,2,0,0,0,0|2,0,0]=4 18116 B13R0.54 OB(O)CCCCCSCCCCF 62a_200009817188_100000729493 [0,2,0,0,0,0|2,0,0]=4 18117 B13R0.54 OB(O)CCCCOCCCCCBr 34a_100000746331_200009817182 [0,2,0,0,0,0|2,0,0]=4 18118 B13R0.54 OB(O)CCCCOCCCCCBr 7a_100000746331_200009817182 [0,2,0,0,0,0|2,0,0]=4 18119 B13R0.54 OB(O)CCCCOCCCCCCl 34a_100000746330_200009817182 [0,2,0,0,0,0|2,0,0]=4 18120 B13R0.54 OB(O)CCCCOCCCCCCl 7a_100000746330_200009817182 [0,2,0,0,0,0|2,0,0]=4 18121 B13R0.54 OB(O)CCCCOCCCCCI 34a_200012148887_200009817182 [0,2,0,0,0,0|2,0,0]=4 18122 B13R0.54 OB(O)CCCCOCCCCCI 7a_200012148887_200009817182 [0,2,0,0,0,0|2,0,0]=4 18123 B13R0.54 OB(O)CCCCSCCCCCF 62a_100000729378_200009817182 [0,2,0,0,0,0|2,0,0]=4 18124 B13R0.54 OB(O)CCCCSCCCCCF 62a_200009817182_100000729378 [0,2,0,0,0,0|2,0,0]=4 18125 B13R0.54 OCCCCCCCCNCC(F)F 2230a_102515433106_100011934356 [0,2,0,0,0,0|1,0,0]=3 18126 B13R0.54 OCCCCCCCCNCC(F)F 34a_100000765723_100000033203 [0,2,0,0,0,0|1,0,0]=3 18127 B13R0.54 OCCCCCCCCNCC(F)F 34a_102515433106_100011934356 [0,2,0,0,0,0|1,0,0]=3 18128 B13R0.54 OCCCCCCCCOCC(F)F 34a_100000743014_100000033203 [0,2,0,0,0,0|1,0,0]=3 18129 B13R0.54 OCCCCCCCCSCC(F)F 62a_100000033203_100011934356 [0,2,0,0,0,0|1,0,0]=3 18130 B13R0.54 OCCCCCCCCSCC(F)F 62a_100011934356_100000033203 [0,2,0,0,0,0|1,0,0]=3 18131 B13R0.54 OCCCCCCCOCCC(F)F 34a_100103093639_100000760002 [0,2,0,0,0,0|1,0,0]=3 18132 B13R0.54 OCCCCCNCCCCB(O)O 2230a_100000762737_200009817182 [0,2,0,0,0,0|2,0,0]=4 18133 B13R0.54 OCCCCCNCCCCB(O)O 34a_100000762737_200009817182 [0,2,0,0,0,0|2,0,0]=4 18134 B13R0.54 OCCCCCNCCOCC(F)F 2230a_100000762737_200012177212 [0,2,0,0,0,0|2,0,0]=4 18135 B13R0.54 OCCCCCNCCOCC(F)F 34a_100000762737_200012177212 [0,2,0,0,0,0|2,0,0]=4 18136 B13R0.54 OCCCCCOCCOCC(F)F 34a_100000704375_100000746330 [0,2,0,0,0,0|2,0,0]=4 18137 B13R0.54 OCCCCCOCCOCC(F)F 7a_100000704375_100000746330 [0,2,0,0,0,0|2,0,0]=4 18138 B13R0.54 OCCCCCSCCCCB(O)O 62a_100000746330_200009817182 [0,2,0,0,0,0|2,0,0]=4 18139 B13R0.54 OCCCCCSCCCCB(O)O 62a_200009817182_100000746330 [0,2,0,0,0,0|2,0,0]=4 18140 B13R0.54 OCCCCCSCCOCC(F)F 62a_100000746330_200012177212 [0,2,0,0,0,0|2,0,0]=4 18141 B13R0.54 OCCCCCSCCOCC(F)F 62a_200012177212_100000746330 [0,2,0,0,0,0|2,0,0]=4 18142 B13R0.54 OCCCCNCCCCCB(O)O 2230a_100000750430_200009817188 [0,2,0,0,0,0|2,0,0]=4 18143 B13R0.54 OCCCCNCCCCCB(O)O 34a_100000750430_200009817188 [0,2,0,0,0,0|2,0,0]=4 18144 B13R0.54 OCCCCSCCCCCB(O)O 62a_100000210776_200009817188 [0,2,0,0,0,0|2,0,0]=4 18145 B13R0.54 OCCCCSCCCCCB(O)O 62a_200009817188_100000210776 [0,2,0,0,0,0|2,0,0]=4 18146 B13R0.54 OCCCSCCCCCCB(O)O 62a_100009817187_100011215043 [0,2,0,0,0,0|2,0,0]=4 18147 B13R0.54 OCCCSCCCCCCB(O)O 62a_100011215043_100009817187 [0,2,0,0,0,0|2,0,0]=4 18148 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|0,0,2]=4 18149 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|0,0,2]=4 18150 B13R0.147 C#CC(C)NCCCCCCCCC 2230a_100000707721_100011214924 [0,2,0,0,0,0|1,0,1]=4 18151 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000212291_200000035995 [0,2,0,0,0,0|1,0,1]=4 18152 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000707721_100011214924 [0,2,0,0,0,0|1,0,1]=4 18153 B13R0.147 C#CC(C)NCCCCCCCCO 2230a_100000707721_100000033203 [0,2,0,0,0,0|1,0,0]=3 18154 B13R0.147 C#CC(C)NCCCCCCCCO 34a_100000707721_100000033203 [0,2,0,0,0,0|1,0,0]=3 18155 B13R0.147 C#CC(C)NCCCCCCCCO 34a_102515433106_200000035995 [0,2,0,0,0,0|1,0,0]=3 18156 B13R0.147 C#CC(C)OCCCCCCCCBr 34a_100009813846_200000035995 [0,2,0,0,0,0|2,0,0]=4 18157 B13R0.147 C#CC(C)OCCCCCCCCC 34a_100000210712_200000035995 [0,2,0,0,0,0|1,0,1]=4 18158 B13R0.147 C#CC(C)OCCCCCCCCCl 34a_100000033203_200000035995 [0,2,0,0,0,0|2,0,0]=4 18159 B13R0.147 C#CC(C)OCCCCCCCCN 34a_102515433106_200000035995 [0,2,0,0,0,0|2,0,0]=4 18160 B13R0.147 C#CC(C)SCCCCCCCCC 62a_200000035995_100000210670 [0,2,0,0,0,0|1,0,1]=4 18161 B13R0.147 C#CC(C)SCCCCCCCCO 62a_200000035995_100000033203 [0,2,0,0,0,0|1,0,0]=3 18162 B13R0.147 C#CC(O)CCCCCNCCCC 2230a_100000102301_200010408556 [0,2,0,0,0,0|1,0,0]=3 18163 B13R0.147 C#CC(O)CCCCCNCCCC 7a_106832991798_200010408556 [0,2,0,0,0,0|1,0,0]=3 18164 B13R0.147 C#CC(O)CCCCCNCCCF 2230a_100015189416_200010408556 [0,2,0,0,0,0|2,0,0]=4 18165 B13R0.147 C#CC(O)CCCCCNCCCF 34a_100015189416_200010408556 [0,2,0,0,0,0|2,0,0]=4 18166 B13R0.147 C#CC(O)CCCCCNCCOC 2230a_100000209980_200010408556 [0,2,0,0,0,0|2,0,0]=4 18167 B13R0.147 C#CC(O)CCCCCNCCSC 2230a_100020590264_200010408556 [0,2,0,0,0,0|2,0,0]=4 18168 B13R0.147 C#CC(O)CCCCCOCCCBr 34a_100011217188_200010408556 [0,2,0,0,0,0|2,0,0]=4 18169 B13R0.147 C#CC(O)CCCCCOCCCC 34a_100000210227_200010408556 [0,2,0,0,0,0|1,0,0]=3 18170 B13R0.147 C#CC(O)CCCCCOCCCC 7a_100000210227_200010408556 [0,2,0,0,0,0|1,0,0]=3 18171 B13R0.147 C#CC(O)CCCCCOCCCCl 34a_100000230001_200010408556 [0,2,0,0,0,0|2,0,0]=4 18172 B13R0.147 C#CC(O)CCCCCOCCCF 34a_100000759539_200010408556 [0,2,0,0,0,0|2,0,0]=4 18173 B13R0.147 C#CC(O)CCCCCOCCCN 34a_100000182051_200010408556 [0,2,0,0,0,0|2,0,0]=4 18174 B13R0.147 C#CC(O)CCCCCOCCOC 34a_100000210237_200010408556 [0,2,0,0,0,0|2,0,0]=4 18175 B13R0.147 C#CC(O)CCCCCOCCSC 34a_100000230434_200010408556 [0,2,0,0,0,0|2,0,0]=4 18176 B13R0.147 C#CC(O)CCCCCOCCSC 7a_100000230434_200010408556 [0,2,0,0,0,0|2,0,0]=4 18177 B13R0.147 C#CC(O)CCCCCSCCCC 62a_100000210211_200010408556 [0,2,0,0,0,0|1,0,0]=3 18178 B13R0.147 C#CC(O)CCCCCSCCCC 62a_200010408556_100000210210 [0,2,0,0,0,0|1,0,0]=3 18179 B13R0.147 C#CC(O)CCCCCSCCCF 62a_100011934791_200010408556 [0,2,0,0,0,0|2,0,0]=4 18180 B13R0.147 C#CC(O)CCCCCSCCCF 62a_200010408556_100011934791 [0,2,0,0,0,0|2,0,0]=4 18181 B13R0.147 C#CC(O)CCCCCSCCCO 62a_100011215043_200010408556 [0,2,0,0,0,0|0,0,2]=4 18182 B13R0.147 C#CC(O)CCCCCSCCCO 62a_200010408556_100011215043 [0,2,0,0,0,0|0,0,2]=4 18183 B13R0.147 C#CC(O)CCCCCSCCOC 62a_100000233755_200010408556 [0,2,0,0,0,0|2,0,0]=4 18184 B13R0.147 C#CC(O)CCCCCSCCOC 62a_200010408556_100000233755 [0,2,0,0,0,0|2,0,0]=4 18185 B13R0.147 C#CC(O)CCCCCSCCSC 62a_100000212216_200010408556 [0,2,0,0,0,0|2,0,0]=4 18186 B13R0.147 C#CC(O)CCCCCSCCSC 62a_200010408556_100000751147 [0,2,0,0,0,0|2,0,0]=4 18187 B13R0.147 C#CC(O)CCCCCSCOCC 62a_100000739092_200010408556 [0,2,0,0,0,0|2,0,0]=4 18188 B13R0.147 C#CC(O)CCCCCSCOCC 62a_200010408556_100000739092 [0,2,0,0,0,0|2,0,0]=4 18189 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,2,0,0,0,0|1,0,1]=4 18190 B13R0.147 C#CCCCCCCCNC(C)CC 2230a_100000209981_100153394163 [0,2,0,0,0,0|1,0,1]=4 18191 B13R0.147 C#CCCCCCCCN[C@H](C)CO 2230a_100000737577_100153394163 [0,2,0,0,0,0|0,0,2]=4 18192 B13R0.147 C#CCCCCCCCOC(C)CC 34a_100000054614_100011215416 [0,2,0,0,0,0|1,0,1]=4 18193 B13R0.147 C#CCCCCCCCOC(C)CC 7a_100000054614_100000758301 [0,2,0,0,0,0|1,0,1]=4 18194 B13R0.147 C#CCCCCCCCOC(C)CC 7a_100000210228_100153394163 [0,2,0,0,0,0|1,0,1]=4 18195 B13R0.147 C#CCCCCCCCOC(C)CO 34a_100000054614_100012180447 [0,2,0,0,0,0|0,0,2]=4 18196 B13R0.147 C#CCCCCCCCOC(C)CO 7a_100000054614_100012180447 [0,2,0,0,0,0|0,0,2]=4 18197 B13R0.147 C#CCCCCCCCSC(C)CC 62a_100000758301_100153394163 [0,2,0,0,0,0|1,0,1]=4 18198 B13R0.147 C#CCCCCCCCSC(C)CC 62a_100153394163_100000758301 [0,2,0,0,0,0|1,0,1]=4 18199 B13R0.147 C#CCCCCCCCSC(C)CO 62a_100012180447_100153394163 [0,2,0,0,0,0|0,0,2]=4 18200 B13R0.147 C#CCCCCCCCS[C@H](C)CO 62a_100016084084_100153394163 [0,2,0,0,0,0|0,0,2]=4 18201 B13R0.147 C#CCCCCCCCS[C@H](C)CO 62a_100153394163_100016084084 [0,2,0,0,0,0|0,0,2]=4 18202 B13R0.147 C#CCCCCCCNCC(C)CC 2230a_100020588543_100012276617 [0,2,0,0,0,0|1,0,1]=4 18203 B13R0.147 C#CCCCCCCNCC(C)CO 34a_100000744482_100012276617 [0,2,0,0,0,0|0,0,2]=4 18204 B13R0.147 C#CCCCCCCNCC(O)CC 2230a_100011218483_100012276617 [0,2,0,0,0,0|1,0,1]=4 18205 B13R0.147 C#CCCCCCCNC[C@@H](F)CO 34a_100015665980_100012276617 [0,2,0,0,0,0|0,0,2]=4 18206 B13R0.147 C#CCCCCCCNC[C@H](O)CO 2230a_100020644852_100012276617 [0,2,0,0,0,0|0,0,2]=4 18207 B13R0.147 C#CCCCCCCOCC(C)CC 34a_100011217361_100000748023 [0,2,0,0,0,0|1,0,1]=4 18208 B13R0.147 C#CCCCCCCOCC(C)CC 7a_100011217361_100000748023 [0,2,0,0,0,0|1,0,1]=4 18209 B13R0.147 C#CCCCCCCOCC(O)CC 34a_100011217361_100011218378 [0,2,0,0,0,0|1,0,1]=4 18210 B13R0.147 C#CCCCCCCOCC(O)CC 7a_100011217361_100011218378 [0,2,0,0,0,0|1,0,1]=4 18211 B13R0.147 C#CCCCCCCOCC(O)CO 34a_100011217361_100011219619 [0,2,0,0,0,0|0,0,2]=4 18212 B13R0.147 C#CCCCCCCOCC(O)CO 7a_100011217361_100011219619 [0,2,0,0,0,0|0,0,2]=4 18213 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 34a_100011217361_100009816398 [0,2,0,0,0,0|1,0,1]=4 18214 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 7a_100009816381_100012276617 [0,2,0,0,0,0|1,0,1]=4 18215 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 7a_100011217361_100009816398 [0,2,0,0,0,0|1,0,1]=4 18216 B13R0.147 C#CCCCCCCOC[C@@H](C)CO 34a_100011217361_100000059175 [0,2,0,0,0,0|0,0,2]=4 18217 B13R0.147 C#CCCCCCCOC[C@@H](C)CO 7a_100011217361_100000059175 [0,2,0,0,0,0|0,0,2]=4 18218 B13R0.147 C#CCCCCCCOC[C@@H](O)CO 34a_100011217361_100009815848 [0,2,0,0,0,0|0,0,2]=4 18219 B13R0.147 C#CCCCCCCOC[C@@H](O)CO 7a_100011217361_100009815848 [0,2,0,0,0,0|0,0,2]=4 18220 B13R0.147 C#CCCCCCCSCC(C)CC 62a_100000748023_100012276617 [0,2,0,0,0,0|1,0,1]=4 18221 B13R0.147 C#CCCCCCCSCC(C)CC 62a_100012276617_100000748023 [0,2,0,0,0,0|1,0,1]=4 18222 B13R0.147 C#CCCCCCCSCC(O)CC 62a_100011218378_100012276617 [0,2,0,0,0,0|1,0,1]=4 18223 B13R0.147 C#CCCCCCCSCC(O)CC 62a_100012276617_100011218378 [0,2,0,0,0,0|1,0,1]=4 18224 B13R0.147 C#CCCCCCCSCC(O)CO 62a_100011219619_100012276617 [0,2,0,0,0,0|0,0,2]=4 18225 B13R0.147 C#CCCCCCCSCC(O)CO 62a_100012276617_100011219619 [0,2,0,0,0,0|0,0,2]=4 18226 B13R0.147 C#CCCCCCCSC[C@@H](C)CC 62a_100009816398_100012276617 [0,2,0,0,0,0|1,0,1]=4 18227 B13R0.147 C#CCCCCCCSC[C@@H](C)CC 62a_100012276617_100009816398 [0,2,0,0,0,0|1,0,1]=4 18228 B13R0.147 C#CCCCCCCSC[C@@H](C)CO 62a_100000059175_100012276617 [0,2,0,0,0,0|0,0,2]=4 18229 B13R0.147 C#CCCCCCCSC[C@@H](C)CO 62a_100012276617_100000059175 [0,2,0,0,0,0|0,0,2]=4 18230 B13R0.147 C#CCCCCCCSC[C@@H](O)CO 62a_100009815848_100012276617 [0,2,0,0,0,0|0,0,2]=4 18231 B13R0.147 C#CCCCCCCSC[C@@H](O)CO 62a_100012276617_100009815848 [0,2,0,0,0,0|0,0,2]=4 18232 B13R0.147 C#CCCCCCNCCC(C)CC 2230a_100020591266_100012094781 [0,2,0,0,0,0|1,0,1]=4 18233 B13R0.147 C#CCCCCCNCCC(C)CO 2230a_106354213184_100012094781 [0,2,0,0,0,0|0,0,2]=4 18234 B13R0.147 C#CCCCCCNCCC(C)CO 34a_106354213184_100012094781 [0,2,0,0,0,0|0,0,2]=4 18235 B13R0.147 C#CCCCCCOCCC(C)CC 7a_100011215188_100012094781 [0,2,0,0,0,0|1,0,1]=4 18236 B13R0.147 C#CCCCCOCCCC(C)CC 7a_100011216074_100010269958 [0,2,0,0,0,0|1,0,1]=4 18237 B13R0.147 C#CCCOCCCCCC(C)CC 7a_200000035636_100000688953 [0,2,0,0,0,0|1,0,1]=4 18238 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 34a_100009815206_100011214924 [0,2,0,0,0,0|1,0,1]=4 18239 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 7a_100009815206_100000210328 [0,2,0,0,0,0|1,0,1]=4 18240 B13R0.147 C#C[C@@H](C)OCCCCCCCCO 34a_100009815206_100000033203 [0,2,0,0,0,0|1,0,0]=3 18241 B13R0.147 C#C[C@@H](C)OCCCCCCCCO 7a_100009815206_100000033203 [0,2,0,0,0,0|1,0,0]=3 18242 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|0,0,2]=4 18243 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|0,0,2]=4 18244 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 18245 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 18246 B13R0.147 C=CC(C)COCCCCCCCO 34a_100011215527_100000760002 [0,2,0,0,0,0|1,0,0]=3 18247 B13R0.147 C=CC(C)COCCCCCCCO 7a_100011215527_100000760002 [0,2,0,0,0,0|1,0,0]=3 18248 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,2,0,0,0,0|1,0,1]=4 18249 B13R0.147 C=CC(C)OCCCCCCCCO 34a_100000695699_100000033203 [0,2,0,0,0,0|1,0,0]=3 18250 B13R0.147 C=CC(C)SCCCCCCCCC 62a_100011215867_100000210670 [0,2,0,0,0,0|1,0,1]=4 18251 B13R0.147 C=CC(C)SCCCCCCCCO 62a_100011215867_100000033203 [0,2,0,0,0,0|1,0,0]=3 18252 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,2,0,0,0,0|1,0,0]=3 18253 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,2,0,0,0,0|1,0,0]=3 18254 B13R0.147 C=CC(O)CNCCCCCCCO 2230a_100011996573_100000730141 [0,2,0,0,0,0|0,0,2]=4 18255 B13R0.147 C=CC(O)CNCCCCCCCO 34a_100011996573_100000730141 [0,2,0,0,0,0|0,0,2]=4 18256 B13R0.147 C=CC(O)CNCCCOCCCC 2230a_200000211371_100000730141 [0,2,0,0,0,0|2,0,0]=4 18257 B13R0.147 C=CC(O)CNCCCOCCCC 34a_200000211371_100000730141 [0,2,0,0,0,0|2,0,0]=4 18258 B13R0.147 C=CC(O)COCCCCCCCBr 34a_100000760002_100000730141 [0,2,0,0,0,0|2,0,0]=4 18259 B13R0.147 C=CC(O)COCCCCCCCBr 7a_100000760002_100000730141 [0,2,0,0,0,0|2,0,0]=4 18260 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,2,0,0,0,0|1,0,0]=3 18261 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,2,0,0,0,0|1,0,0]=3 18262 B13R0.147 C=CC(O)COCCCCCCCN 34a_100011996573_100000730141 [0,2,0,0,0,0|2,0,0]=4 18263 B13R0.147 C=CC(O)COCCCCCCOC 34a_200012092642_100000730141 [0,2,0,0,0,0|2,0,0]=4 18264 B13R0.147 C=CC(O)COCCCCCCOC 7a_200012092642_100000730141 [0,2,0,0,0,0|2,0,0]=4 18265 B13R0.147 C=CC(O)COCCCOCCCC 34a_200011215613_100000730141 [0,2,0,0,0,0|2,0,0]=4 18266 B13R0.147 C=CC(O)COCCCOCCCC 7a_200011215613_100000730141 [0,2,0,0,0,0|2,0,0]=4 18267 B13R0.147 C=CC(O)COCCNCCCCC 34a_100000224656_100000730141 [0,2,0,0,0,0|2,0,0]=4 18268 B13R0.147 C=CC(O)COCCOCCCCC 34a_100011215259_100000730141 [0,2,0,0,0,0|2,0,0]=4 18269 B13R0.147 C=CC(O)COCCOCCCCC 7a_100011215259_100000730141 [0,2,0,0,0,0|2,0,0]=4 18270 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,2,0,0,0,0|1,0,0]=3 18271 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,2,0,0,0,0|1,0,0]=3 18272 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000730141_100000760002 [0,2,0,0,0,0|0,0,2]=4 18273 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000760002_100000730141 [0,2,0,0,0,0|0,0,2]=4 18274 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100000730141_100011998445 [0,2,0,0,0,0|2,0,0]=4 18275 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100011998445_100000730141 [0,2,0,0,0,0|2,0,0]=4 18276 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|1,0,1]=4 18277 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|1,0,1]=4 18278 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,2]=4 18279 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,2,0,0,0,0|1,0,1]=4 18280 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,2,0,0,0,0|1,0,1]=4 18281 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [0,2,0,0,0,0|1,0,1]=4 18282 B13R0.147 C=CCCCCCCCN[C@H](C)CO 2230a_100000737577_100012355270 [0,2,0,0,0,0|0,0,2]=4 18283 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [0,2,0,0,0,0|1,0,1]=4 18284 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [0,2,0,0,0,0|1,0,1]=4 18285 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [0,2,0,0,0,0|1,0,1]=4 18286 B13R0.147 C=CCCCCCCCOC(C)CO 34a_100000730831_100012180447 [0,2,0,0,0,0|0,0,2]=4 18287 B13R0.147 C=CCCCCCCCOC(C)CO 7a_100000730831_100012180447 [0,2,0,0,0,0|0,0,2]=4 18288 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100000758301_100012355270 [0,2,0,0,0,0|1,0,1]=4 18289 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100012355270_100000758301 [0,2,0,0,0,0|1,0,1]=4 18290 B13R0.147 C=CCCCCCCCSC(C)CO 62a_100012180447_100012355270 [0,2,0,0,0,0|0,0,2]=4 18291 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100012355270_100016084084 [0,2,0,0,0,0|0,0,2]=4 18292 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100016084084_100012355270 [0,2,0,0,0,0|0,0,2]=4 18293 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [0,2,0,0,0,0|1,0,1]=4 18294 B13R0.147 C=CCCCCCCNCC(C)CO 34a_100000744482_100011215473 [0,2,0,0,0,0|0,0,2]=4 18295 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,2,0,0,0,0|1,0,1]=4 18296 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215473 [0,2,0,0,0,0|0,0,2]=4 18297 B13R0.147 C=CCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215473 [0,2,0,0,0,0|0,0,2]=4 18298 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [0,2,0,0,0,0|1,0,1]=4 18299 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [0,2,0,0,0,0|1,0,1]=4 18300 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,2,0,0,0,0|1,0,1]=4 18301 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,2,0,0,0,0|1,0,1]=4 18302 B13R0.147 C=CCCCCCCOCC(O)CO 34a_200011216477_100011219619 [0,2,0,0,0,0|0,0,2]=4 18303 B13R0.147 C=CCCCCCCOCC(O)CO 7a_200011216477_100011219619 [0,2,0,0,0,0|0,0,2]=4 18304 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [0,2,0,0,0,0|1,0,1]=4 18305 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [0,2,0,0,0,0|1,0,1]=4 18306 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [0,2,0,0,0,0|1,0,1]=4 18307 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 34a_200011216477_100000059175 [0,2,0,0,0,0|0,0,2]=4 18308 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 7a_200011216477_100000059175 [0,2,0,0,0,0|0,0,2]=4 18309 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 34a_200011216477_100009815848 [0,2,0,0,0,0|0,0,2]=4 18310 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 7a_200011216477_100009815848 [0,2,0,0,0,0|0,0,2]=4 18311 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [0,2,0,0,0,0|1,0,1]=4 18312 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [0,2,0,0,0,0|1,0,1]=4 18313 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,2,0,0,0,0|1,0,1]=4 18314 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,2,0,0,0,0|1,0,1]=4 18315 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011215473_100011219619 [0,2,0,0,0,0|0,0,2]=4 18316 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011219619_100011215473 [0,2,0,0,0,0|0,0,2]=4 18317 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [0,2,0,0,0,0|1,0,1]=4 18318 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [0,2,0,0,0,0|1,0,1]=4 18319 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215473 [0,2,0,0,0,0|0,0,2]=4 18320 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100011215473_100000059175 [0,2,0,0,0,0|0,0,2]=4 18321 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215473 [0,2,0,0,0,0|0,0,2]=4 18322 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100011215473_100009815848 [0,2,0,0,0,0|0,0,2]=4 18323 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [0,2,0,0,0,0|1,0,1]=4 18324 B13R0.147 C=CCCCCCNCCC(C)CO 2230a_106354213184_100000700193 [0,2,0,0,0,0|0,0,2]=4 18325 B13R0.147 C=CCCCCCNCCC(C)CO 34a_106354213184_100000700193 [0,2,0,0,0,0|0,0,2]=4 18326 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [0,2,0,0,0,0|1,0,1]=4 18327 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [0,2,0,0,0,0|1,0,1]=4 18328 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [0,2,0,0,0,0|1,0,1]=4 18329 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|1,0,1]=4 18330 B13R0.147 C=C[C@H](N)COCCCCCCCO 34a_100016989147_100000760002 [0,2,0,0,0,0|0,0,2]=4 18331 B13R0.147 CC(C#N)NCCCCCCCCO 2230a_100000737613_100000033203 [0,2,0,0,0,0|1,0,0]=3 18332 B13R0.147 CC(C#N)NCCCCCCCCO 2230a_102515433106_100000184139 [0,2,0,0,0,0|1,0,0]=3 18333 B13R0.147 CC(C#N)OCCCCCCCCBr 7a_100009813846_100000703298 [0,2,0,0,0,0|2,0,0]=4 18334 B13R0.147 CC(C#N)OCCCCCCCCCl 7a_100000033203_100000703298 [0,2,0,0,0,0|2,0,0]=4 18335 B13R0.147 CC(C#N)OCCCCCCCCO 34a_100011218135_100000033203 [0,2,0,0,0,0|1,0,0]=3 18336 B13R0.147 CC(C#N)SCCCCCCCCO 62a_100000033203_100000703298 [0,2,0,0,0,0|1,0,0]=3 18337 B13R0.147 CC(C#N)SCCCCCCCCO 62a_100000703298_100000033203 [0,2,0,0,0,0|1,0,0]=3 18338 B13R0.147 CC(CF)OCCCCCCCCO 34a_100016041109_100000033203 [0,2,0,0,0,0|1,0,0]=3 18339 B13R0.147 CC(CF)OCCCCCCCCO 7a_100016041109_100000033203 [0,2,0,0,0,0|1,0,0]=3 18340 B13R0.147 CC(CN)COCCCCCCCO 34a_100000744482_100000760002 [0,2,0,0,0,0|1,0,0]=3 18341 B13R0.147 CC(CN)OCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|1,0,0]=3 18342 B13R0.147 CC(CO)CCNCCCCCC#N 2230a_106354213184_100009813376 [0,2,0,0,0,0|1,0,1]=4 18343 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [0,2,0,0,0,0|1,0,1]=4 18344 B13R0.147 CC(CO)CCNCCCCCCF 2230a_106354213184_100015922095 [0,2,0,0,0,0|1,0,0]=3 18345 B13R0.147 CC(CO)CCNCCCCCCF 34a_106354213184_100015922095 [0,2,0,0,0,0|1,0,0]=3 18346 B13R0.147 CC(CO)CCNCCCCCCO 2230a_106354213184_100000766143 [0,2,0,0,0,0|1,0,0]=3 18347 B13R0.147 CC(CO)CCNCCCCCCO 34a_106354213184_100000766143 [0,2,0,0,0,0|1,0,0]=3 18348 B13R0.147 CC(CO)CNCCCCCCCO 34a_100000744482_100000760002 [0,2,0,0,0,0|1,0,0]=3 18349 B13R0.147 CC(CO)NCCCCCCCCO 2230a_102515433106_100012180447 [0,2,0,0,0,0|1,0,0]=3 18350 B13R0.147 CC(CO)NCCCCCCCCO 34a_102515433106_100012180447 [0,2,0,0,0,0|1,0,0]=3 18351 B13R0.147 CC(CO)OCCCCCCCCBr 34a_100009813846_100012180447 [0,2,0,0,0,0|1,0,0]=3 18352 B13R0.147 CC(CO)OCCCCCCCCBr 7a_100009813846_100012180447 [0,2,0,0,0,0|1,0,0]=3 18353 B13R0.147 CC(CO)OCCCCCCCCCl 34a_100000033203_100012180447 [0,2,0,0,0,0|1,0,0]=3 18354 B13R0.147 CC(CO)OCCCCCCCCCl 7a_100000033203_100012180447 [0,2,0,0,0,0|1,0,0]=3 18355 B13R0.147 CC(CO)OCCCCCCCCN 34a_102515433106_100012180447 [0,2,0,0,0,0|1,0,0]=3 18356 B13R0.147 CC(CO)OCCCCCNCCN 34a_103619048469_100012180447 [0,2,0,0,0,0|2,0,0]=4 18357 B13R0.147 CC(CO)SCCCCCCCCO 62a_100012180447_100000033203 [0,2,0,0,0,0|1,0,0]=3 18358 B13R0.147 CC/C=C\CCCCCN[C@H](C)CO 269862a_100000737577_100016288537 [0,2,0,0,0,0|0,0,2]=4 18359 B13R0.147 CC/C=C\CCCCCOC(C)CO 34a_100016268722_100012180447 [0,2,0,0,0,0|0,0,2]=4 18360 B13R0.147 CC/C=C\CCCCCOC(C)CO 7a_100016268722_100012180447 [0,2,0,0,0,0|0,0,2]=4 18361 B13R0.147 CC/C=C\CCCCOCC(O)CO 34a_100016287862_100011219619 [0,2,0,0,0,0|0,0,2]=4 18362 B13R0.147 CC/C=C\CCCCOCC(O)CO 7a_100016287862_100011219619 [0,2,0,0,0,0|0,0,2]=4 18363 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CO 34a_100016287862_100000059175 [0,2,0,0,0,0|0,0,2]=4 18364 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CO 7a_100016287862_100000059175 [0,2,0,0,0,0|0,0,2]=4 18365 B13R0.147 CC/C=C\CCCCOC[C@@H](O)CO 34a_100016287862_100009815848 [0,2,0,0,0,0|0,0,2]=4 18366 B13R0.147 CC/C=C\CCCCOC[C@@H](O)CO 7a_100016287862_100009815848 [0,2,0,0,0,0|0,0,2]=4 18367 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,2,0,0,0,0|0,0,2]=4 18368 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,0]=3 18369 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|0,0,0]=2 18370 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,2,0,0,0,0|1,0,1]=4 18371 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,2,0,0,0,0|0,0,1]=3 18372 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,2,0,0,0,0|1,0,1]=4 18373 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,2,0,0,0,0|1,0,1]=4 18374 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,2,0,0,0,0|0,0,1]=3 18375 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,2,0,0,0,0|0,0,1]=3 18376 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,2,0,0,0,0|1,0,1]=4 18377 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,2,0,0,0,0|1,0,1]=4 18378 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|0,0,1]=3 18379 B13R0.147 CCC(=O)NCCNCCCCCO 34a_100132302217_100000746330 [0,2,0,0,0,0|1,0,1]=4 18380 B13R0.147 CCC(=O)NCCOCCCCCO 34a_200000158885_100000746330 [0,2,0,0,0,0|1,0,1]=4 18381 B13R0.147 CCC(=O)NCCOCCCCCO 7a_200000158885_100000746330 [0,2,0,0,0,0|1,0,1]=4 18382 B13R0.147 CCC(=O)OCCOCCCCCO 7a_200000031056_100000746330 [0,2,0,0,0,0|1,0,1]=4 18383 B13R0.147 CCC(C)CCCCCOCCC#N 7a_200000035636_100000184422 [0,2,0,0,0,0|1,0,1]=4 18384 B13R0.147 CCC(C)CCCCCOCCCF 7a_200000035636_100011934791 [0,2,0,0,0,0|1,0,0]=3 18385 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [0,2,0,0,0,0|0,0,0]=2 18386 B13R0.147 CCC(C)CCCCCOCCOC 7a_200000035636_100000233755 [0,2,0,0,0,0|1,0,0]=3 18387 B13R0.147 CCC(C)CCCCCOCCSC 7a_200000035636_100000212216 [0,2,0,0,0,0|1,1,0]=4 18388 B13R0.147 CCC(C)CCCOCCCCC#N 7a_100011216074_100000211819 [0,2,0,0,0,0|1,0,1]=4 18389 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [0,2,0,0,0,0|0,0,2]=4 18390 B13R0.147 CCC(C)CCCOCCCCCF 7a_100011216074_100000729378 [0,2,0,0,0,0|1,0,0]=3 18391 B13R0.147 CCC(C)CCCOCCCCCO 7a_100011216074_100000746330 [0,2,0,0,0,0|0,0,0]=2 18392 B13R0.147 CCC(C)CCCOCCCCOC 7a_100011216074_100000730899 [0,2,0,0,0,0|1,0,0]=3 18393 B13R0.147 CCC(C)CCCOCCOCCO 7a_100011216074_100011215305 [0,2,0,0,0,0|1,0,0]=3 18394 B13R0.147 CCC(C)CCNCCCCCC#N 2230a_100020591266_100009813376 [0,2,0,0,0,0|1,0,1]=4 18395 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [0,2,0,0,0,0|0,0,2]=4 18396 B13R0.147 CCC(C)CCNCCCCCCF 2230a_100020591266_100015922095 [0,2,0,0,0,0|1,0,0]=3 18397 B13R0.147 CCC(C)CCNCCCCCCO 2230a_100020591266_100000766143 [0,2,0,0,0,0|0,0,0]=2 18398 B13R0.147 CCC(C)CCNCCOCCOC 2230a_100020591266_100000695917 [0,2,0,0,0,0|2,0,0]=4 18399 B13R0.147 CCC(C)CCOCCCCCC#N 7a_100011215188_100009813376 [0,2,0,0,0,0|1,0,1]=4 18400 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [0,2,0,0,0,0|0,0,2]=4 18401 B13R0.147 CCC(C)CCOCCCCCCF 7a_100011215188_100015922095 [0,2,0,0,0,0|1,0,0]=3 18402 B13R0.147 CCC(C)CCOCCCCCCO 7a_100011215188_100000766143 [0,2,0,0,0,0|0,0,0]=2 18403 B13R0.147 CCC(C)CCOCCOCCOC 7a_100011215188_100000695917 [0,2,0,0,0,0|2,0,0]=4 18404 B13R0.147 CCC(C)CNCCCCCCC#N 2230a_100020588543_100009813337 [0,2,0,0,0,0|1,0,1]=4 18405 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100011996573_100000748023 [0,2,0,0,0,0|0,0,0]=2 18406 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100020588543_100000760002 [0,2,0,0,0,0|0,0,0]=2 18407 B13R0.147 CCC(C)CNCCCCCCCO 270004a_100011996573_100000243153 [0,2,0,0,0,0|0,0,0]=2 18408 B13R0.147 CCC(C)CNCCCCCCCO 34a_100011996573_100000748023 [0,2,0,0,0,0|0,0,0]=2 18409 B13R0.147 CCC(C)CNCCCCCCOC 2230a_100020588543_100011998445 [0,2,0,0,0,0|1,0,0]=3 18410 B13R0.147 CCC(C)CNCCCOCCCO 2230a_100011310245_100000748023 [0,2,0,0,0,0|1,0,0]=3 18411 B13R0.147 CCC(C)CNCCCOCCCO 270004a_100011310245_100000243153 [0,2,0,0,0,0|1,0,0]=3 18412 B13R0.147 CCC(C)CNCCCOCCCO 34a_100011310245_100000748023 [0,2,0,0,0,0|1,0,0]=3 18413 B13R0.147 CCC(C)CNCCCOCCOC 2230a_100000206027_100000748023 [0,2,0,0,0,0|2,0,0]=4 18414 B13R0.147 CCC(C)CNCCCOCCOC 2230a_100020588543_100011216529 [0,2,0,0,0,0|2,0,0]=4 18415 B13R0.147 CCC(C)CNCCCOCCOC 270004a_100000206027_100000243153 [0,2,0,0,0,0|2,0,0]=4 18416 B13R0.147 CCC(C)CNCCCOCCOC 34a_100000206027_100000748023 [0,2,0,0,0,0|2,0,0]=4 18417 B13R0.147 CCC(C)COCCCCCCCBr 34a_100000760002_100000748023 [0,2,0,0,0,0|1,0,0]=3 18418 B13R0.147 CCC(C)COCCCCCCCBr 7a_100000760002_100000748023 [0,2,0,0,0,0|1,0,0]=3 18419 B13R0.147 CCC(C)COCCCCCCCN 34a_100011996573_100000748023 [0,2,0,0,0,0|1,0,0]=3 18420 B13R0.147 CCC(C)COCCCCCCOC 34a_200012092642_100000748023 [0,2,0,0,0,0|1,0,0]=3 18421 B13R0.147 CCC(C)COCCCCCCOC 7a_200012092642_100000748023 [0,2,0,0,0,0|1,0,0]=3 18422 B13R0.147 CCC(C)COCCCOCCCN 34a_100011310245_100000748023 [0,2,0,0,0,0|2,0,0]=4 18423 B13R0.147 CCC(C)CSCCCCCCC#N 62a_100000748023_100009813337 [0,2,0,0,0,0|1,0,1]=4 18424 B13R0.147 CCC(C)CSCCCCCCC#N 62a_100009813337_100000748023 [0,2,0,0,0,0|1,0,1]=4 18425 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000748023_100000760002 [0,2,0,0,0,0|0,0,0]=2 18426 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000760002_100000748023 [0,2,0,0,0,0|0,0,0]=2 18427 B13R0.147 CCC(C)CSCCCCCCOC 62a_100000748023_100011998445 [0,2,0,0,0,0|1,0,0]=3 18428 B13R0.147 CCC(C)CSCCCCCCOC 62a_100011998445_100000748023 [0,2,0,0,0,0|1,0,0]=3 18429 B13R0.147 CCC(C)CSCCCOCCOC 62a_100000748023_100011216529 [0,2,0,0,0,0|2,0,0]=4 18430 B13R0.147 CCC(C)CSCCCOCCOC 62a_100011216529_100000748023 [0,2,0,0,0,0|2,0,0]=4 18431 B13R0.147 CCC(C)NCCCCCCCCO 2230a_100000209981_100000033203 [0,2,0,0,0,0|0,0,0]=2 18432 B13R0.147 CCC(C)NCCCCCCCCO 2230a_102515433106_100000758301 [0,2,0,0,0,0|0,0,0]=2 18433 B13R0.147 CCC(C)NCCCCCCCCO 34a_102515433106_100011215416 [0,2,0,0,0,0|0,0,0]=2 18434 B13R0.147 CCC(C)NCCOCCOCCO 2230a_100000209981_100000032323 [0,2,0,0,0,0|2,0,0]=4 18435 B13R0.147 CCC(C)NCCOCCOCCO 2230a_100011998139_100000758301 [0,2,0,0,0,0|2,0,0]=4 18436 B13R0.147 CCC(C)NCCOCCOCCO 34a_100011998139_100011215416 [0,2,0,0,0,0|2,0,0]=4 18437 B13R0.147 CCC(C)OCCCCCCCCBr 34a_100009813846_100011215416 [0,2,0,0,0,0|1,0,0]=3 18438 B13R0.147 CCC(C)OCCCCCCCCBr 7a_100009813846_100000758301 [0,2,0,0,0,0|1,0,0]=3 18439 B13R0.147 CCC(C)OCCCCCCCCCl 34a_100000033203_100011215416 [0,2,0,0,0,0|1,0,0]=3 18440 B13R0.147 CCC(C)OCCCCCCCCCl 7a_100000033203_100000758301 [0,2,0,0,0,0|1,0,0]=3 18441 B13R0.147 CCC(C)OCCCCCCCCN 34a_102515433106_100011215416 [0,2,0,0,0,0|1,0,0]=3 18442 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [0,2,0,0,0,0|0,0,0]=2 18443 B13R0.147 CCC(C)OCCCCCNCCN 34a_103619048469_100011215416 [0,2,0,0,0,0|2,0,0]=4 18444 B13R0.147 CCC(C)OCCCOCCCOC 34a_200011215475_100011215416 [0,2,0,0,0,0|2,0,0]=4 18445 B13R0.147 CCC(C)OCCCOCCCOC 7a_200011215475_100000758301 [0,2,0,0,0,0|2,0,0]=4 18446 B13R0.147 CCC(C)OCCOCCOCCO 7a_100000210228_100000032323 [0,2,0,0,0,0|2,0,0]=4 18447 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000033203_100000758301 [0,2,0,0,0,0|0,0,0]=2 18448 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000758301_100000033203 [0,2,0,0,0,0|0,0,0]=2 18449 B13R0.147 CCC(C)SCCOCCOCCO 62a_100000032323_100000758301 [0,2,0,0,0,0|2,0,0]=4 18450 B13R0.147 CCC(C)SCCOCCOCCO 62a_100000758301_100000032323 [0,2,0,0,0,0|2,0,0]=4 18451 B13R0.147 CCC(O)CNCCCCCCC#N 2230a_100011218483_100009813337 [0,2,0,0,0,0|1,0,1]=4 18452 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011218483_100000760002 [0,2,0,0,0,0|0,0,0]=2 18453 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011996573_100011218378 [0,2,0,0,0,0|0,0,0]=2 18454 B13R0.147 CCC(O)CNCCCCCCCO 34a_100011996573_100011218378 [0,2,0,0,0,0|0,0,0]=2 18455 B13R0.147 CCC(O)CNCCCCCCOC 2230a_100011218483_100011998445 [0,2,0,0,0,0|1,0,0]=3 18456 B13R0.147 CCC(O)CNCCCOCCCO 2230a_100011310245_100011218378 [0,2,0,0,0,0|1,0,0]=3 18457 B13R0.147 CCC(O)CNCCCOCCCO 34a_100011310245_100011218378 [0,2,0,0,0,0|1,0,0]=3 18458 B13R0.147 CCC(O)CNCCCOCCOC 2230a_100000206027_100011218378 [0,2,0,0,0,0|2,0,0]=4 18459 B13R0.147 CCC(O)CNCCCOCCOC 2230a_100011218483_100011216529 [0,2,0,0,0,0|2,0,0]=4 18460 B13R0.147 CCC(O)CNCCCOCCOC 34a_100000206027_100011218378 [0,2,0,0,0,0|2,0,0]=4 18461 B13R0.147 CCC(O)COCCCCCCCBr 34a_100000760002_100011218378 [0,2,0,0,0,0|1,0,0]=3 18462 B13R0.147 CCC(O)COCCCCCCCBr 7a_100000760002_100011218378 [0,2,0,0,0,0|1,0,0]=3 18463 B13R0.147 CCC(O)COCCCCCCCN 34a_100011996573_100011218378 [0,2,0,0,0,0|1,0,0]=3 18464 B13R0.147 CCC(O)COCCCCCCOC 34a_200012092642_100011218378 [0,2,0,0,0,0|1,0,0]=3 18465 B13R0.147 CCC(O)COCCCCCCOC 7a_200012092642_100011218378 [0,2,0,0,0,0|1,0,0]=3 18466 B13R0.147 CCC(O)COCCCOCCCN 34a_100011310245_100011218378 [0,2,0,0,0,0|2,0,0]=4 18467 B13R0.147 CCC(O)CSCCCCCCC#N 62a_100009813337_100011218378 [0,2,0,0,0,0|1,0,1]=4 18468 B13R0.147 CCC(O)CSCCCCCCC#N 62a_100011218378_100009813337 [0,2,0,0,0,0|1,0,1]=4 18469 B13R0.147 CCC(O)CSCCCCCCCO 62a_100000760002_100011218378 [0,2,0,0,0,0|0,0,0]=2 18470 B13R0.147 CCC(O)CSCCCCCCCO 62a_100011218378_100000760002 [0,2,0,0,0,0|0,0,0]=2 18471 B13R0.147 CCC(O)CSCCCCCCOC 62a_100011218378_100011998445 [0,2,0,0,0,0|1,0,0]=3 18472 B13R0.147 CCC(O)CSCCCCCCOC 62a_100011998445_100011218378 [0,2,0,0,0,0|1,0,0]=3 18473 B13R0.147 CCC(O)CSCCCOCCOC 62a_100011216529_100011218378 [0,2,0,0,0,0|2,0,0]=4 18474 B13R0.147 CCC(O)CSCCCOCCOC 62a_100011218378_100011216529 [0,2,0,0,0,0|2,0,0]=4 18475 B13R0.147 CCCC/C=C\CCOCC(O)CO 34a_200016286491_100011219619 [0,2,0,0,0,0|0,0,2]=4 18476 B13R0.147 CCCC/C=C\CCOCC(O)CO 7a_200016286491_100011219619 [0,2,0,0,0,0|0,0,2]=4 18477 B13R0.147 CCCC/C=C\CCOC[C@@H](C)CO 34a_200016286491_100000059175 [0,2,0,0,0,0|0,0,2]=4 18478 B13R0.147 CCCC/C=C\CCOC[C@@H](C)CO 7a_200016286491_100000059175 [0,2,0,0,0,0|0,0,2]=4 18479 B13R0.147 CCCC/C=C\CCOC[C@@H](O)CO 34a_200016286491_100009815848 [0,2,0,0,0,0|0,0,2]=4 18480 B13R0.147 CCCC/C=C\CCOC[C@@H](O)CO 7a_200016286491_100009815848 [0,2,0,0,0,0|0,0,2]=4 18481 B13R0.147 CCCCC#CCCCN[C@H](C)CO 2230a_100000737577_200000047210 [0,2,0,0,0,0|0,0,2]=4 18482 B13R0.147 CCCCC#CCCCSC(C)CO 62a_100012180447_200000047210 [0,2,0,0,0,0|0,0,2]=4 18483 B13R0.147 CCCCC#CCCCS[C@H](C)CO 62a_100016084084_200000047210 [0,2,0,0,0,0|0,0,2]=4 18484 B13R0.147 CCCCC#CCCCS[C@H](C)CO 62a_200000047210_100016084084 [0,2,0,0,0,0|0,0,2]=4 18485 B13R0.147 CCCCC#CCCOCC(O)CO 34a_100000037610_100011219619 [0,2,0,0,0,0|0,0,2]=4 18486 B13R0.147 CCCCC#CCCOCC(O)CO 7a_100000037610_100011219619 [0,2,0,0,0,0|0,0,2]=4 18487 B13R0.147 CCCCC#CCCOC[C@@H](C)CO 34a_100000037610_100000059175 [0,2,0,0,0,0|0,0,2]=4 18488 B13R0.147 CCCCC#CCCOC[C@@H](C)CO 7a_100000037610_100000059175 [0,2,0,0,0,0|0,0,2]=4 18489 B13R0.147 CCCCC#CCCOC[C@@H](O)CO 34a_100000037610_100009815848 [0,2,0,0,0,0|0,0,2]=4 18490 B13R0.147 CCCCC#CCCOC[C@@H](O)CO 7a_100000037610_100009815848 [0,2,0,0,0,0|0,0,2]=4 18491 B13R0.147 CCCCC/C=C/COCC(O)CO 34a_100016258190_100011219619 [0,2,0,0,0,0|0,0,2]=4 18492 B13R0.147 CCCCC/C=C/COCC(O)CO 7a_100016258190_100011219619 [0,2,0,0,0,0|0,0,2]=4 18493 B13R0.147 CCCCC/C=C/COC[C@@H](C)CO 34a_100016258190_100000059175 [0,2,0,0,0,0|0,0,2]=4 18494 B13R0.147 CCCCC/C=C/COC[C@@H](C)CO 7a_100016258190_100000059175 [0,2,0,0,0,0|0,0,2]=4 18495 B13R0.147 CCCCC/C=C/COC[C@@H](O)CO 34a_100016258190_100009815848 [0,2,0,0,0,0|0,0,2]=4 18496 B13R0.147 CCCCC/C=C/COC[C@@H](O)CO 7a_100016258190_100009815848 [0,2,0,0,0,0|0,0,2]=4 18497 B13R0.147 CCCCC/C=C\CCOC(C)CO 34a_100016277358_100012180447 [0,2,0,0,0,0|0,0,2]=4 18498 B13R0.147 CCCCC/C=C\CCOC(C)CO 7a_100016277358_100012180447 [0,2,0,0,0,0|0,0,2]=4 18499 B13R0.147 CCCCCC#CCCOC(C)CO 34a_200000042877_100012180447 [0,2,0,0,0,0|0,0,2]=4 18500 B13R0.147 CCCCCC#CCCOC(C)CO 7a_200000042877_100012180447 [0,2,0,0,0,0|0,0,2]=4 18501 B13R0.147 CCCCCC#CCNCC(C)CO 34a_100000744482_100009816472 [0,2,0,0,0,0|0,0,2]=4 18502 B13R0.147 CCCCCC#CCNC[C@@H](F)CO 34a_100015665980_100009816472 [0,2,0,0,0,0|0,0,2]=4 18503 B13R0.147 CCCCCC#CCNC[C@H](O)CO 2230a_100020644852_100009816472 [0,2,0,0,0,0|0,0,2]=4 18504 B13R0.147 CCCCCC#CCOCC(O)CO 34a_200000033628_100011219619 [0,2,0,0,0,0|0,0,2]=4 18505 B13R0.147 CCCCCC#CCOCC(O)CO 7a_200000033628_100011219619 [0,2,0,0,0,0|0,0,2]=4 18506 B13R0.147 CCCCCC#CCOC[C@@H](C)CO 34a_200000033628_100000059175 [0,2,0,0,0,0|0,0,2]=4 18507 B13R0.147 CCCCCC#CCOC[C@@H](C)CO 7a_200000033628_100000059175 [0,2,0,0,0,0|0,0,2]=4 18508 B13R0.147 CCCCCC#CCOC[C@@H](O)CO 34a_200000033628_100009815848 [0,2,0,0,0,0|0,0,2]=4 18509 B13R0.147 CCCCCC#CCOC[C@@H](O)CO 7a_200000033628_100009815848 [0,2,0,0,0,0|0,0,2]=4 18510 B13R0.147 CCCCCC#CCSCC(O)CO 62a_100009816472_100011219619 [0,2,0,0,0,0|0,0,2]=4 18511 B13R0.147 CCCCCC#CCSCC(O)CO 62a_100011219619_100009816472 [0,2,0,0,0,0|0,0,2]=4 18512 B13R0.147 CCCCCC#CCSC[C@@H](C)CO 62a_100000059175_100009816472 [0,2,0,0,0,0|0,0,2]=4 18513 B13R0.147 CCCCCC#CCSC[C@@H](C)CO 62a_100009816472_100000059175 [0,2,0,0,0,0|0,0,2]=4 18514 B13R0.147 CCCCCC#CCSC[C@@H](O)CO 62a_100009815848_100009816472 [0,2,0,0,0,0|0,0,2]=4 18515 B13R0.147 CCCCCC#CCSC[C@@H](O)CO 62a_100009816472_100009815848 [0,2,0,0,0,0|0,0,2]=4 18516 B13R0.147 CCCCCC/C=C/COC(C)CO 34a_200016276170_100012180447 [0,2,0,0,0,0|0,0,2]=4 18517 B13R0.147 CCCCCC/C=C/COC(C)CO 7a_200016276170_100012180447 [0,2,0,0,0,0|0,0,2]=4 18518 B13R0.147 CCCCCCC#CCOC(C)CO 34a_200000037284_100012180447 [0,2,0,0,0,0|0,0,2]=4 18519 B13R0.147 CCCCCCC#CCOC(C)CO 7a_200000037284_100012180447 [0,2,0,0,0,0|0,0,2]=4 18520 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|1,0,0]=3 18521 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|1,0,0]=3 18522 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|1,0,0]=3 18523 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,0]=2 18524 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|0,0,2]=4 18525 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|0,0,2]=4 18526 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|0,0,2]=4 18527 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [0,2,0,0,0,0|1,0,0]=3 18528 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,2,0,0,0,0|0,0,0]=2 18529 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,2,0,0,0,0|0,0,0]=2 18530 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,2,0,0,0,0|0,0,0]=2 18531 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,2,0,0,0,0|0,0,0]=2 18532 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [0,2,0,0,0,0|1,0,0]=3 18533 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [0,2,0,0,0,0|1,0,0]=3 18534 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [0,2,0,0,0,0|1,0,0]=3 18535 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [0,2,0,0,0,0|1,0,0]=3 18536 B13R0.147 CCCCCCCCCCN(C)CF 269982a_100000207566_100015361967 [0,2,0,0,0,0|1,0,0]=3 18537 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 18538 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 18539 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 18540 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 18541 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|0,0,1]=3 18542 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|0,0,1]=3 18543 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000212291_100000184139 [0,2,0,0,0,0|1,0,1]=4 18544 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000737613_100011214924 [0,2,0,0,0,0|1,0,1]=4 18545 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000209981_100011214924 [0,2,0,0,0,0|1,0,0]=3 18546 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000212291_100000758301 [0,2,0,0,0,0|1,0,0]=3 18547 B13R0.147 CCCCCCCCCNC(C)CC 34a_100000212291_100011215416 [0,2,0,0,0,0|1,0,0]=3 18548 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,2,0,0,0,0|0,0,0]=2 18549 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,2,0,0,0,0|0,0,0]=2 18550 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,2,0,0,0,0|0,0,0]=2 18551 B13R0.147 CCCCCCCCCOC(C)C#N 34a_100011218135_100011214924 [0,2,0,0,0,0|1,0,1]=4 18552 B13R0.147 CCCCCCCCCOC(C)C#N 7a_100000210712_100000703298 [0,2,0,0,0,0|1,0,1]=4 18553 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [0,2,0,0,0,0|1,0,0]=3 18554 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [0,2,0,0,0,0|1,0,0]=3 18555 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [0,2,0,0,0,0|1,0,0]=3 18556 B13R0.147 CCCCCCCCCOC(C)CF 34a_100016041109_100011214924 [0,2,0,0,0,0|1,0,0]=3 18557 B13R0.147 CCCCCCCCCOC(C)CF 7a_100016041109_100000210328 [0,2,0,0,0,0|1,0,0]=3 18558 B13R0.147 CCCCCCCCCOC(C)CN 34a_100000210904_100011214924 [0,2,0,0,0,0|1,0,0]=3 18559 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,2,0,0,0,0|0,0,0]=2 18560 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,2,0,0,0,0|0,0,0]=2 18561 B13R0.147 CCCCCCCCCSC(C)C#N 62a_100000703298_100000210670 [0,2,0,0,0,0|1,0,1]=4 18562 B13R0.147 CCCCCCCCCSC(C)CC 62a_100000758301_100000210670 [0,2,0,0,0,0|1,0,0]=3 18563 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,2,0,0,0,0|0,0,0]=2 18564 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,2,0,0,0,0|1,0,0]=3 18565 B13R0.147 CCCCCCCCCSC(F)C#N 62a_200000117898_100000210670 [0,2,0,0,0,0|1,0,1]=4 18566 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,2,0,0,0,0|0,0,0]=2 18567 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|1,0,1]=4 18568 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|1,0,1]=4 18569 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100000229939_100000748023 [0,2,0,0,0,0|1,0,0]=3 18570 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100020588543_100000210759 [0,2,0,0,0,0|1,0,0]=3 18571 B13R0.147 CCCCCCCCNCC(C)CC 270004a_100000229939_100000243153 [0,2,0,0,0,0|1,0,0]=3 18572 B13R0.147 CCCCCCCCNCC(C)CC 34a_100000229939_100000748023 [0,2,0,0,0,0|1,0,0]=3 18573 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,2,0,0,0,0|0,0,0]=2 18574 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [0,2,0,0,0,0|1,0,0]=3 18575 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [0,2,0,0,0,0|1,0,0]=3 18576 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [0,2,0,0,0,0|1,0,0]=3 18577 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,2,0,0,0,0|0,0,0]=2 18578 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,2,0,0,0,0|0,0,0]=2 18579 B13R0.147 CCCCCCCCNC[C@@H](C)CC 2230a_100000229939_100009816398 [0,2,0,0,0,0|1,0,0]=3 18580 B13R0.147 CCCCCCCCNC[C@@H](C)CC 34a_100000229939_100009816398 [0,2,0,0,0,0|1,0,0]=3 18581 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,2,0,0,0,0|0,0,0]=2 18582 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,2,0,0,0,0|0,0,0]=2 18583 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,2,0,0,0,0|1,0,0]=3 18584 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,2,0,0,0,0|0,0,0]=2 18585 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [0,2,0,0,0,0|1,0,0]=3 18586 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [0,2,0,0,0,0|1,0,0]=3 18587 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,2,0,0,0,0|0,0,0]=2 18588 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,2,0,0,0,0|0,0,0]=2 18589 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,2,0,0,0,0|0,0,0]=2 18590 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,2,0,0,0,0|1,0,1]=4 18591 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,2,0,0,0,0|1,0,1]=4 18592 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,2,0,0,0,0|1,0,1]=4 18593 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,2,0,0,0,0|1,0,1]=4 18594 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|1,0,1]=4 18595 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|1,0,1]=4 18596 B13R0.147 CCCCCCCCOCC(C)CC 34a_100000210232_100000748023 [0,2,0,0,0,0|1,0,0]=3 18597 B13R0.147 CCCCCCCCOCC(C)CC 7a_100000210232_100000748023 [0,2,0,0,0,0|1,0,0]=3 18598 B13R0.147 CCCCCCCCOCC(C)CN 34a_100000744482_100000210759 [0,2,0,0,0,0|1,0,0]=3 18599 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|1,0,0]=3 18600 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [0,2,0,0,0,0|1,0,0]=3 18601 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,2,0,0,0,0|1,0,0]=3 18602 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,2,0,0,0,0|1,0,0]=3 18603 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,2,0,0,0,0|0,0,0]=2 18604 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,2,0,0,0,0|0,0,0]=2 18605 B13R0.147 CCCCCCCCOC[C@@H](C)CC 34a_100000210232_100009816398 [0,2,0,0,0,0|1,0,0]=3 18606 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100000210232_100009816398 [0,2,0,0,0,0|1,0,0]=3 18607 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210759 [0,2,0,0,0,0|1,0,0]=3 18608 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,2,0,0,0,0|0,0,0]=2 18609 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,2,0,0,0,0|0,0,0]=2 18610 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,2,0,0,0,0|1,0,0]=3 18611 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,2,0,0,0,0|1,0,0]=3 18612 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,2,0,0,0,0|0,0,0]=2 18613 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,2,0,0,0,0|0,0,0]=2 18614 B13R0.147 CCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210759 [0,2,0,0,0,0|1,0,0]=3 18615 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,2,0,0,0,0|1,0,1]=4 18616 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,2,0,0,0,0|1,0,1]=4 18617 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|1,0,1]=4 18618 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|1,0,1]=4 18619 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000210759_100000748023 [0,2,0,0,0,0|1,0,0]=3 18620 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000748023_100000210317 [0,2,0,0,0,0|1,0,0]=3 18621 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [0,2,0,0,0,0|1,0,0]=3 18622 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [0,2,0,0,0,0|1,0,0]=3 18623 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,2,0,0,0,0|0,0,0]=2 18624 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,2,0,0,0,0|0,0,0]=2 18625 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100000210759_100009816398 [0,2,0,0,0,0|1,0,0]=3 18626 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210317 [0,2,0,0,0,0|1,0,0]=3 18627 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,2,0,0,0,0|0,0,0]=2 18628 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,2,0,0,0,0|0,0,0]=2 18629 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [0,2,0,0,0,0|1,0,0]=3 18630 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [0,2,0,0,0,0|1,0,0]=3 18631 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,2,0,0,0,0|0,0,0]=2 18632 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,2,0,0,0,0|0,0,0]=2 18633 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|1,0,1]=4 18634 B13R0.147 CCCCCCCNCCC(C)CC 2230a_100020591266_100000210681 [0,2,0,0,0,0|1,0,0]=3 18635 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,2,0,0,0,0|0,0,0]=2 18636 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,2,0,0,0,0|0,0,0]=2 18637 B13R0.147 CCCCCCCOCCC(=NO)N 34a_100000749954_100000210614 [0,2,0,0,0,0|1,0,1]=4 18638 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|1,0,1]=4 18639 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|1,0,1]=4 18640 B13R0.147 CCCCCCCOCCC(C)CC 7a_100011215188_100000210614 [0,2,0,0,0,0|1,0,0]=3 18641 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,2,0,0,0,0|1,0,0]=3 18642 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|1,0,1]=4 18643 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|1,0,1]=4 18644 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|1,0,1]=4 18645 B13R0.147 CCCCCCNCCCN(C)CC 2230a_100000210581_100015186262 [0,2,0,0,0,0|2,0,0]=4 18646 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|1,0,1]=4 18647 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|1,0,1]=4 18648 B13R0.147 CCCCCCOCCCC(C)CC 7a_100011216074_100000210314 [0,2,0,0,0,0|1,0,0]=3 18649 B13R0.147 CCCCCCOCCCN(C)CC 7a_100000210259_100015186262 [0,2,0,0,0,0|2,0,0]=4 18650 B13R0.147 CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210314 [0,2,0,0,0,0|1,0,0]=3 18651 B13R0.147 CCCCCCOCCOC(C)CC 34a_100000691444_100011215416 [0,2,0,0,0,0|2,0,0]=4 18652 B13R0.147 CCCCCCOCCOC(C)CC 7a_100000691444_100000758301 [0,2,0,0,0,0|2,0,0]=4 18653 B13R0.147 CCCCCCOCCOC(C)CO 34a_100000691444_100012180447 [0,2,0,0,0,0|1,0,0]=3 18654 B13R0.147 CCCCCCOCCOC(C)CO 7a_100000691444_100012180447 [0,2,0,0,0,0|1,0,0]=3 18655 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|1,0,1]=4 18656 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|1,0,1]=4 18657 B13R0.147 CCCCCCSCCCN(C)CC 62a_100000210314_100015186262 [0,2,0,0,0,0|2,0,0]=4 18658 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|1,0,1]=4 18659 B13R0.147 CCCCCNCCOCC(C)CC 34a_100000224656_100000748023 [0,2,0,0,0,0|2,0,0]=4 18660 B13R0.147 CCCCCNCCOCC(O)CC 34a_100000224656_100011218378 [0,2,0,0,0,0|2,0,0]=4 18661 B13R0.147 CCCCCNCCOCC(O)CO 34a_100000224656_100011219619 [0,2,0,0,0,0|1,0,0]=3 18662 B13R0.147 CCCCCNCCOC[C@@H](C)CC 34a_100000224656_100009816398 [0,2,0,0,0,0|2,0,0]=4 18663 B13R0.147 CCCCCNCCOC[C@@H](C)CO 34a_100000224656_100000059175 [0,2,0,0,0,0|1,0,0]=3 18664 B13R0.147 CCCCCNCCOC[C@@H](O)CF 34a_100000224656_100015614560 [0,2,0,0,0,0|2,0,0]=4 18665 B13R0.147 CCCCCNCCOC[C@@H](O)CO 34a_100000224656_100009815848 [0,2,0,0,0,0|1,0,0]=3 18666 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|1,0,1]=4 18667 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|1,0,1]=4 18668 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|1,0,1]=4 18669 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|1,0,1]=4 18670 B13R0.147 CCCCCOCCOCC(C)CC 34a_100011215259_100000748023 [0,2,0,0,0,0|2,0,0]=4 18671 B13R0.147 CCCCCOCCOCC(C)CC 7a_100011215259_100000748023 [0,2,0,0,0,0|2,0,0]=4 18672 B13R0.147 CCCCCOCCOCC(O)CC 34a_100011215259_100011218378 [0,2,0,0,0,0|2,0,0]=4 18673 B13R0.147 CCCCCOCCOCC(O)CC 7a_100011215259_100011218378 [0,2,0,0,0,0|2,0,0]=4 18674 B13R0.147 CCCCCOCCOCC(O)CO 34a_100011215259_100011219619 [0,2,0,0,0,0|1,0,0]=3 18675 B13R0.147 CCCCCOCCOCC(O)CO 7a_100011215259_100011219619 [0,2,0,0,0,0|1,0,0]=3 18676 B13R0.147 CCCCCOCCOC[C@@H](C)CC 34a_100011215259_100009816398 [0,2,0,0,0,0|2,0,0]=4 18677 B13R0.147 CCCCCOCCOC[C@@H](C)CC 7a_100011215259_100009816398 [0,2,0,0,0,0|2,0,0]=4 18678 B13R0.147 CCCCCOCCOC[C@@H](C)CO 34a_100011215259_100000059175 [0,2,0,0,0,0|1,0,0]=3 18679 B13R0.147 CCCCCOCCOC[C@@H](C)CO 7a_100011215259_100000059175 [0,2,0,0,0,0|1,0,0]=3 18680 B13R0.147 CCCCCOCCOC[C@@H](O)CF 34a_100011215259_100015614560 [0,2,0,0,0,0|2,0,0]=4 18681 B13R0.147 CCCCCOCCOC[C@@H](O)CF 7a_100011215259_100015614560 [0,2,0,0,0,0|2,0,0]=4 18682 B13R0.147 CCCCCOCCOC[C@@H](O)CO 34a_100011215259_100009815848 [0,2,0,0,0,0|1,0,0]=3 18683 B13R0.147 CCCCCOCCOC[C@@H](O)CO 7a_100011215259_100009815848 [0,2,0,0,0,0|1,0,0]=3 18684 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|1,0,1]=4 18685 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|1,0,1]=4 18686 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|1,0,1]=4 18687 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|1,0,1]=4 18688 B13R0.147 CCCCNCCCCOC(C)CC 34a_200011216965_100011215416 [0,2,0,0,0,0|2,0,0]=4 18689 B13R0.147 CCCCNCCCCOC(C)CO 34a_200011216965_100012180447 [0,2,0,0,0,0|1,0,0]=3 18690 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|1,0,1]=4 18691 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|1,0,1]=4 18692 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|1,0,1]=4 18693 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|1,0,1]=4 18694 B13R0.147 CCCCOCCCCCC(C)CC 7a_200000035636_100000210211 [0,2,0,0,0,0|1,0,0]=3 18695 B13R0.147 CCCCOCCCCOC(C)CC 34a_200000760531_100011215416 [0,2,0,0,0,0|2,0,0]=4 18696 B13R0.147 CCCCOCCCCOC(C)CC 7a_200000760531_100000758301 [0,2,0,0,0,0|2,0,0]=4 18697 B13R0.147 CCCCOCCCCOC(C)CO 34a_200000760531_100012180447 [0,2,0,0,0,0|1,0,0]=3 18698 B13R0.147 CCCCOCCCCOC(C)CO 7a_200000760531_100012180447 [0,2,0,0,0,0|1,0,0]=3 18699 B13R0.147 CCCCOCCCNCC(C)CC 2230a_200000211371_100000748023 [0,2,0,0,0,0|2,0,0]=4 18700 B13R0.147 CCCCOCCCNCC(C)CC 270004a_200000211371_100000243153 [0,2,0,0,0,0|2,0,0]=4 18701 B13R0.147 CCCCOCCCNCC(C)CC 34a_200000211371_100000748023 [0,2,0,0,0,0|2,0,0]=4 18702 B13R0.147 CCCCOCCCNCC(O)CC 2230a_200000211371_100011218378 [0,2,0,0,0,0|2,0,0]=4 18703 B13R0.147 CCCCOCCCNCC(O)CC 34a_200000211371_100011218378 [0,2,0,0,0,0|2,0,0]=4 18704 B13R0.147 CCCCOCCCNCC(O)CO 2230a_200000211371_100011219619 [0,2,0,0,0,0|1,0,0]=3 18705 B13R0.147 CCCCOCCCNCC(O)CO 34a_200000211371_100011219619 [0,2,0,0,0,0|1,0,0]=3 18706 B13R0.147 CCCCOCCCNC[C@@H](C)CC 2230a_200000211371_100009816398 [0,2,0,0,0,0|2,0,0]=4 18707 B13R0.147 CCCCOCCCNC[C@@H](C)CC 34a_200000211371_100009816398 [0,2,0,0,0,0|2,0,0]=4 18708 B13R0.147 CCCCOCCCNC[C@@H](C)CO 2230a_200000211371_100000059175 [0,2,0,0,0,0|1,0,0]=3 18709 B13R0.147 CCCCOCCCNC[C@@H](C)CO 34a_200000211371_100000059175 [0,2,0,0,0,0|1,0,0]=3 18710 B13R0.147 CCCCOCCCNC[C@@H](O)CF 2230a_200000211371_100015614560 [0,2,0,0,0,0|2,0,0]=4 18711 B13R0.147 CCCCOCCCNC[C@@H](O)CF 34a_200000211371_100015614560 [0,2,0,0,0,0|2,0,0]=4 18712 B13R0.147 CCCCOCCCNC[C@@H](O)CO 2230a_200000211371_100009815848 [0,2,0,0,0,0|1,0,0]=3 18713 B13R0.147 CCCCOCCCNC[C@@H](O)CO 34a_200000211371_100009815848 [0,2,0,0,0,0|1,0,0]=3 18714 B13R0.147 CCCCOCCCOCC(C)CC 34a_200011215613_100000748023 [0,2,0,0,0,0|2,0,0]=4 18715 B13R0.147 CCCCOCCCOCC(C)CC 7a_200011215613_100000748023 [0,2,0,0,0,0|2,0,0]=4 18716 B13R0.147 CCCCOCCCOCC(O)CC 34a_200011215613_100011218378 [0,2,0,0,0,0|2,0,0]=4 18717 B13R0.147 CCCCOCCCOCC(O)CC 7a_200011215613_100011218378 [0,2,0,0,0,0|2,0,0]=4 18718 B13R0.147 CCCCOCCCOCC(O)CO 34a_200011215613_100011219619 [0,2,0,0,0,0|1,0,0]=3 18719 B13R0.147 CCCCOCCCOCC(O)CO 7a_200011215613_100011219619 [0,2,0,0,0,0|1,0,0]=3 18720 B13R0.147 CCCCOCCCOC[C@@H](C)CC 34a_200011215613_100009816398 [0,2,0,0,0,0|2,0,0]=4 18721 B13R0.147 CCCCOCCCOC[C@@H](C)CC 7a_200011215613_100009816398 [0,2,0,0,0,0|2,0,0]=4 18722 B13R0.147 CCCCOCCCOC[C@@H](C)CO 34a_200011215613_100000059175 [0,2,0,0,0,0|1,0,0]=3 18723 B13R0.147 CCCCOCCCOC[C@@H](C)CO 7a_200011215613_100000059175 [0,2,0,0,0,0|1,0,0]=3 18724 B13R0.147 CCCCOCCCOC[C@@H](O)CF 34a_200011215613_100015614560 [0,2,0,0,0,0|2,0,0]=4 18725 B13R0.147 CCCCOCCCOC[C@@H](O)CF 7a_200011215613_100015614560 [0,2,0,0,0,0|2,0,0]=4 18726 B13R0.147 CCCCOCCCOC[C@@H](O)CO 34a_200011215613_100009815848 [0,2,0,0,0,0|1,0,0]=3 18727 B13R0.147 CCCCOCCCOC[C@@H](O)CO 7a_200011215613_100009815848 [0,2,0,0,0,0|1,0,0]=3 18728 B13R0.147 CCCCOCCNCCC(C)CC 2230a_100020591266_100000743108 [0,2,0,0,0,0|2,0,0]=4 18729 B13R0.147 CCCCOCCNCCC(C)CO 2230a_106354213184_100000743108 [0,2,0,0,0,0|1,0,0]=3 18730 B13R0.147 CCCCOCCNCCC(C)CO 34a_106354213184_100000743108 [0,2,0,0,0,0|1,0,0]=3 18731 B13R0.147 CCCCOCCOCCC(C)CC 7a_100011215188_100000743108 [0,2,0,0,0,0|2,0,0]=4 18732 B13R0.147 CCCCOCCOCCC(C)OC 7a_100000764861_100000743108 [0,2,0,0,0,0|2,0,0]=4 18733 B13R0.147 CCCCOCOCCC[C@@H](C)CN 34a_100160569302_100011995733 [0,2,0,0,0,0|2,0,0]=4 18734 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|1,0,1]=4 18735 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|1,0,1]=4 18736 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|1,0,1]=4 18737 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|1,0,1]=4 18738 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|1,0,1]=4 18739 B13R0.147 CCCOCCOCCCC(C)CC 7a_100011216074_100011215938 [0,2,0,0,0,0|2,0,0]=4 18740 B13R0.147 CCCOCCOCCC[C@@H](C)CN 34a_100160569302_100011215938 [0,2,0,0,0,0|2,0,0]=4 18741 B13R0.147 CCCOCCOCCNC(C)CO 2230a_200011904461_100012180447 [0,2,0,0,0,0|2,0,0]=4 18742 B13R0.147 CCCOCCOCCNC(C)CO 34a_200011904461_100012180447 [0,2,0,0,0,0|2,0,0]=4 18743 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|1,0,1]=4 18744 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|1,0,1]=4 18745 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [0,2,0,0,0,0|0,0,0]=2 18746 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [0,2,0,0,0,0|0,0,0]=2 18747 B13R0.147 CCN(C)CCCNCCCCCO 2230a_100000762737_100015186262 [0,2,0,0,0,0|1,0,0]=3 18748 B13R0.147 CCN(C)CCCNCCOCCO 2230a_100000211614_100015186262 [0,2,0,0,0,0|2,0,0]=4 18749 B13R0.147 CCN(C)CCCNCCSCCO 2230a_100011219999_100015186262 [0,2,0,0,0,0|2,0,0]=4 18750 B13R0.147 CCN(C)CCCOCCCCCBr 7a_100000746331_100015186262 [0,2,0,0,0,0|2,0,0]=4 18751 B13R0.147 CCN(C)CCCOCCCCCCl 7a_100000746330_100015186262 [0,2,0,0,0,0|2,0,0]=4 18752 B13R0.147 CCN(C)CCCOCCCCCI 7a_200012148887_100015186262 [0,2,0,0,0,0|2,0,0]=4 18753 B13R0.147 CCN(C)CCCSCCCCCF 62a_100000729378_100015186262 [0,2,0,0,0,0|2,0,0]=4 18754 B13R0.147 CCN(C)CCCSCCCCCO 62a_100000746330_100015186262 [0,2,0,0,0,0|1,0,0]=3 18755 B13R0.147 CCN(C)CCCSCCCCOC 62a_100000730899_100015186262 [0,2,0,0,0,0|2,0,0]=4 18756 B13R0.147 CCN(C)CCCSCCOCCO 62a_100011215305_100015186262 [0,2,0,0,0,0|2,0,0]=4 18757 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|1,0,1]=4 18758 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|1,0,1]=4 18759 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|1,0,1]=4 18760 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|1,0,1]=4 18761 B13R0.147 CCOCCCOCCCC(C)CC 7a_100011216074_100012232248 [0,2,0,0,0,0|2,0,0]=4 18762 B13R0.147 CCOCCCOCCC[C@@H](C)CN 34a_100160569302_100012232248 [0,2,0,0,0,0|2,0,0]=4 18763 B13R0.147 CCOCCOCCNCC(C)CO 34a_100000744482_100011211534 [0,2,0,0,0,0|2,0,0]=4 18764 B13R0.147 CCOCCOCCNCC(O)CO 2230a_100102712874_100011219619 [0,2,0,0,0,0|2,0,0]=4 18765 B13R0.147 CCOCCOCCNCC(O)CO 34a_100102712874_100011219619 [0,2,0,0,0,0|2,0,0]=4 18766 B13R0.147 CCOCCOCCNC[C@@H](C)CO 2230a_100102712874_100000059175 [0,2,0,0,0,0|2,0,0]=4 18767 B13R0.147 CCOCCOCCNC[C@@H](C)CO 34a_100102712874_100000059175 [0,2,0,0,0,0|2,0,0]=4 18768 B13R0.147 CCOCCOCCNC[C@@H](F)CO 34a_100015665980_100011211534 [0,2,0,0,0,0|2,0,0]=4 18769 B13R0.147 CCOCCOCCNC[C@@H](O)CO 2230a_100102712874_100009815848 [0,2,0,0,0,0|2,0,0]=4 18770 B13R0.147 CCOCCOCCNC[C@@H](O)CO 34a_100102712874_100009815848 [0,2,0,0,0,0|2,0,0]=4 18771 B13R0.147 CCOCCOCCNC[C@H](O)CO 2230a_100020644852_100011211534 [0,2,0,0,0,0|2,0,0]=4 18772 B13R0.147 CCOCCOCCOCC(O)CO 34a_100000210240_100011219619 [0,2,0,0,0,0|2,0,0]=4 18773 B13R0.147 CCOCCOCCOCC(O)CO 7a_100000210240_100011219619 [0,2,0,0,0,0|2,0,0]=4 18774 B13R0.147 CCOCCOCCOC[C@@H](C)CO 34a_100000210240_100000059175 [0,2,0,0,0,0|2,0,0]=4 18775 B13R0.147 CCOCCOCCOC[C@@H](C)CO 7a_100000210240_100000059175 [0,2,0,0,0,0|2,0,0]=4 18776 B13R0.147 CCOCCOCCOC[C@@H](O)CO 34a_100000210240_100009815848 [0,2,0,0,0,0|2,0,0]=4 18777 B13R0.147 CCOCCOCCOC[C@@H](O)CO 7a_100000210240_100009815848 [0,2,0,0,0,0|2,0,0]=4 18778 B13R0.147 CCOCCOCCSCC(O)CO 62a_100011211534_100011219619 [0,2,0,0,0,0|2,0,0]=4 18779 B13R0.147 CCOCCOCCSCC(O)CO 62a_100011219619_100011211534 [0,2,0,0,0,0|2,0,0]=4 18780 B13R0.147 CCOCCOCCSC[C@@H](C)CO 62a_100000059175_100011211534 [0,2,0,0,0,0|2,0,0]=4 18781 B13R0.147 CCOCCOCCSC[C@@H](C)CO 62a_100011211534_100000059175 [0,2,0,0,0,0|2,0,0]=4 18782 B13R0.147 CCOCCOCCSC[C@@H](O)CO 62a_100009815848_100011211534 [0,2,0,0,0,0|2,0,0]=4 18783 B13R0.147 CCOCCOCCSC[C@@H](O)CO 62a_100011211534_100009815848 [0,2,0,0,0,0|2,0,0]=4 18784 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|1,0,1]=4 18785 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|1,0,1]=4 18786 B13R0.147 CC[C@H](C)CNCCCCCCCO 2230a_100011996573_100009816398 [0,2,0,0,0,0|0,0,0]=2 18787 B13R0.147 CC[C@H](C)CNCCCCCCCO 34a_100011996573_100009816398 [0,2,0,0,0,0|0,0,0]=2 18788 B13R0.147 CC[C@H](C)CNCCCOCCCO 2230a_100011310245_100009816398 [0,2,0,0,0,0|1,0,0]=3 18789 B13R0.147 CC[C@H](C)CNCCCOCCCO 34a_100011310245_100009816398 [0,2,0,0,0,0|1,0,0]=3 18790 B13R0.147 CC[C@H](C)CNCCCOCCOC 2230a_100000206027_100009816398 [0,2,0,0,0,0|2,0,0]=4 18791 B13R0.147 CC[C@H](C)CNCCCOCCOC 34a_100000206027_100009816398 [0,2,0,0,0,0|2,0,0]=4 18792 B13R0.147 CC[C@H](C)COCCCCCCC#N 7a_100009816381_100009813337 [0,2,0,0,0,0|1,0,1]=4 18793 B13R0.147 CC[C@H](C)COCCCCCCCBr 34a_100000760002_100009816398 [0,2,0,0,0,0|1,0,0]=3 18794 B13R0.147 CC[C@H](C)COCCCCCCCBr 7a_100000760002_100009816398 [0,2,0,0,0,0|1,0,0]=3 18795 B13R0.147 CC[C@H](C)COCCCCCCCN 34a_100011996573_100009816398 [0,2,0,0,0,0|1,0,0]=3 18796 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [0,2,0,0,0,0|0,0,0]=2 18797 B13R0.147 CC[C@H](C)COCCCCCCOC 34a_200012092642_100009816398 [0,2,0,0,0,0|1,0,0]=3 18798 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_100009816381_100011998445 [0,2,0,0,0,0|1,0,0]=3 18799 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_200012092642_100009816398 [0,2,0,0,0,0|1,0,0]=3 18800 B13R0.147 CC[C@H](C)COCCCOCCCN 34a_100011310245_100009816398 [0,2,0,0,0,0|2,0,0]=4 18801 B13R0.147 CC[C@H](C)COCCCOCCOC 7a_100009816381_100011216529 [0,2,0,0,0,0|2,0,0]=4 18802 B13R0.147 CC[C@H](C)CSCCCCCCC#N 62a_100009813337_100009816398 [0,2,0,0,0,0|1,0,1]=4 18803 B13R0.147 CC[C@H](C)CSCCCCCCC#N 62a_100009816398_100009813337 [0,2,0,0,0,0|1,0,1]=4 18804 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100000760002_100009816398 [0,2,0,0,0,0|0,0,0]=2 18805 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100009816398_100000760002 [0,2,0,0,0,0|0,0,0]=2 18806 B13R0.147 CC[C@H](C)CSCCCCCCOC 62a_100009816398_100011998445 [0,2,0,0,0,0|1,0,0]=3 18807 B13R0.147 CC[C@H](C)CSCCCCCCOC 62a_100011998445_100009816398 [0,2,0,0,0,0|1,0,0]=3 18808 B13R0.147 CC[C@H](C)CSCCCOCCOC 62a_100009816398_100011216529 [0,2,0,0,0,0|2,0,0]=4 18809 B13R0.147 CC[C@H](C)CSCCCOCCOC 62a_100011216529_100009816398 [0,2,0,0,0,0|2,0,0]=4 18810 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|1,0,1]=4 18811 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|1,0,1]=4 18812 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|1,0,1]=4 18813 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|0,0,1]=3 18814 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,2,0,0,0,0|1,0,1]=4 18815 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,2,0,0,0,0|1,0,1]=4 18816 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,2,0,0,0,0|1,0,1]=4 18817 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,2,0,0,0,0|1,0,1]=4 18818 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,2,0,0,0,0|1,0,1]=4 18819 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,2,0,0,0,0|1,0,1]=4 18820 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,2,0,0,0,0|1,0,1]=4 18821 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,2,0,0,0,0|1,0,1]=4 18822 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,2,0,0,0,0|1,0,1]=4 18823 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,2,0,0,0,0|1,0,1]=4 18824 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,2,0,0,0,0|1,0,1]=4 18825 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,2,0,0,0,0|1,0,1]=4 18826 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,2,0,0,0,0|1,0,1]=4 18827 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,2,0,0,0,0|1,0,1]=4 18828 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,2,0,0,0,0|1,0,1]=4 18829 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,2,0,0,0,0|1,0,1]=4 18830 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,2,0,0,0,0|1,0,1]=4 18831 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,2,0,0,0,0|1,0,1]=4 18832 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,2,0,0,0,0|1,0,1]=4 18833 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,2,0,0,0,0|1,0,1]=4 18834 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,2,0,0,0,0|1,0,1]=4 18835 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,2,0,0,0,0|1,0,1]=4 18836 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,2,0,0,0,0|1,0,1]=4 18837 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,2,0,0,0,0|1,0,1]=4 18838 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,2,0,0,0,0|1,0,1]=4 18839 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|1,0,1]=4 18840 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|1,0,1]=4 18841 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|1,0,1]=4 18842 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|1,0,1]=4 18843 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|1,0,1]=4 18844 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|1,0,1]=4 18845 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|1,0,1]=4 18846 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|1,0,1]=4 18847 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|1,0,1]=4 18848 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|1,0,1]=4 18849 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|1,0,1]=4 18850 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|1,0,1]=4 18851 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|1,0,1]=4 18852 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|1,0,1]=4 18853 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|1,0,1]=4 18854 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|1,0,1]=4 18855 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|1,0,1]=4 18856 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|1,0,1]=4 18857 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|1,0,1]=4 18858 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|1,0,1]=4 18859 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,1]=4 18860 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|1,0,1]=4 18861 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|1,0,1]=4 18862 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|1,0,1]=4 18863 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|1,0,1]=4 18864 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|1,0,1]=4 18865 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,1]=4 18866 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|1,0,1]=4 18867 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|1,0,1]=4 18868 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|1,0,1]=4 18869 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,1]=4 18870 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|1,0,1]=4 18871 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|1,0,1]=4 18872 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 18873 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 18874 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|1,0,1]=4 18875 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 18876 B13R0.147 COC(C)CCOCCCCCCF 7a_100000764861_100015922095 [0,2,0,0,0,0|2,0,0]=4 18877 B13R0.147 COC(C)CCOCCCCCCO 7a_100000764861_100000766143 [0,2,0,0,0,0|1,0,0]=3 18878 B13R0.147 COC(C)COCCCCCCCO 34a_100000690652_100000760002 [0,2,0,0,0,0|1,0,0]=3 18879 B13R0.147 COC(C)SCCCCCCCCO 62a_100000033203_100009879195 [0,2,0,0,0,0|1,0,0]=3 18880 B13R0.147 COC(C)SCCCCCCCCO 62a_100009879195_100000033203 [0,2,0,0,0,0|1,0,0]=3 18881 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|1,0,1]=4 18882 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|1,0,1]=4 18883 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|1,0,1]=4 18884 B13R0.147 COCCCCCCNCC(C)CO 34a_100000744482_100011998445 [0,2,0,0,0,0|1,0,0]=3 18885 B13R0.147 COCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011998445 [0,2,0,0,0,0|2,0,0]=4 18886 B13R0.147 COCCCCCCNC[C@@H](F)CO 34a_100015665980_100011998445 [0,2,0,0,0,0|1,0,0]=3 18887 B13R0.147 COCCCCCCNC[C@H](O)CO 2230a_100020644852_100011998445 [0,2,0,0,0,0|1,0,0]=3 18888 B13R0.147 COCCCCCCOCC(C)CN 34a_100000744482_100011998445 [0,2,0,0,0,0|2,0,0]=4 18889 B13R0.147 COCCCCCCOCC(C)OC 34a_100000690652_100011998445 [0,2,0,0,0,0|2,0,0]=4 18890 B13R0.147 COCCCCCCOCC(Cl)CCl 34a_100000033668_100011998445 [0,2,0,0,0,0|2,0,0]=4 18891 B13R0.147 COCCCCCCOCC(O)CO 34a_200012092642_100011219619 [0,2,0,0,0,0|1,0,0]=3 18892 B13R0.147 COCCCCCCOCC(O)CO 7a_200012092642_100011219619 [0,2,0,0,0,0|1,0,0]=3 18893 B13R0.147 COCCCCCCOC[C@@H](C)CO 34a_200012092642_100000059175 [0,2,0,0,0,0|1,0,0]=3 18894 B13R0.147 COCCCCCCOC[C@@H](C)CO 7a_200012092642_100000059175 [0,2,0,0,0,0|1,0,0]=3 18895 B13R0.147 COCCCCCCOC[C@@H](O)CF 34a_200012092642_100015614560 [0,2,0,0,0,0|2,0,0]=4 18896 B13R0.147 COCCCCCCOC[C@@H](O)CF 7a_200012092642_100015614560 [0,2,0,0,0,0|2,0,0]=4 18897 B13R0.147 COCCCCCCOC[C@@H](O)CO 34a_200012092642_100009815848 [0,2,0,0,0,0|1,0,0]=3 18898 B13R0.147 COCCCCCCOC[C@@H](O)CO 7a_200012092642_100009815848 [0,2,0,0,0,0|1,0,0]=3 18899 B13R0.147 COCCCCCCOC[C@H](F)CN 34a_100015665980_100011998445 [0,2,0,0,0,0|2,0,0]=4 18900 B13R0.147 COCCCCCCSCC(O)CO 62a_100011219619_100011998445 [0,2,0,0,0,0|1,0,0]=3 18901 B13R0.147 COCCCCCCSCC(O)CO 62a_100011998445_100011219619 [0,2,0,0,0,0|1,0,0]=3 18902 B13R0.147 COCCCCCCSC[C@@H](C)CO 62a_100000059175_100011998445 [0,2,0,0,0,0|1,0,0]=3 18903 B13R0.147 COCCCCCCSC[C@@H](C)CO 62a_100011998445_100000059175 [0,2,0,0,0,0|1,0,0]=3 18904 B13R0.147 COCCCCCCSC[C@@H](O)CF 62a_100011998445_100015614560 [0,2,0,0,0,0|2,0,0]=4 18905 B13R0.147 COCCCCCCSC[C@@H](O)CF 62a_100015614560_100011998445 [0,2,0,0,0,0|2,0,0]=4 18906 B13R0.147 COCCCCCCSC[C@@H](O)CO 62a_100009815848_100011998445 [0,2,0,0,0,0|1,0,0]=3 18907 B13R0.147 COCCCCCCSC[C@@H](O)CO 62a_100011998445_100009815848 [0,2,0,0,0,0|1,0,0]=3 18908 B13R0.147 COCCCCOCCC[C@@H](C)CN 34a_100160569302_100000755781 [0,2,0,0,0,0|2,0,0]=4 18909 B13R0.147 COCCCOCCCOC(C)CO 34a_200011215475_100012180447 [0,2,0,0,0,0|2,0,0]=4 18910 B13R0.147 COCCCOCCCOC(C)CO 7a_200011215475_100012180447 [0,2,0,0,0,0|2,0,0]=4 18911 B13R0.147 COCCOCCCNCC(C)CO 34a_100000744482_100011216529 [0,2,0,0,0,0|2,0,0]=4 18912 B13R0.147 COCCOCCCNCC(O)CO 2230a_100000206027_100011219619 [0,2,0,0,0,0|2,0,0]=4 18913 B13R0.147 COCCOCCCNCC(O)CO 34a_100000206027_100011219619 [0,2,0,0,0,0|2,0,0]=4 18914 B13R0.147 COCCOCCCNC[C@@H](C)CO 2230a_100000206027_100000059175 [0,2,0,0,0,0|2,0,0]=4 18915 B13R0.147 COCCOCCCNC[C@@H](C)CO 34a_100000206027_100000059175 [0,2,0,0,0,0|2,0,0]=4 18916 B13R0.147 COCCOCCCNC[C@@H](F)CO 34a_100015665980_100011216529 [0,2,0,0,0,0|2,0,0]=4 18917 B13R0.147 COCCOCCCNC[C@@H](O)CO 2230a_100000206027_100009815848 [0,2,0,0,0,0|2,0,0]=4 18918 B13R0.147 COCCOCCCNC[C@@H](O)CO 34a_100000206027_100009815848 [0,2,0,0,0,0|2,0,0]=4 18919 B13R0.147 COCCOCCCNC[C@H](O)CO 2230a_100020644852_100011216529 [0,2,0,0,0,0|2,0,0]=4 18920 B13R0.147 COCCOCCCSCC(O)CO 62a_100011216529_100011219619 [0,2,0,0,0,0|2,0,0]=4 18921 B13R0.147 COCCOCCCSCC(O)CO 62a_100011219619_100011216529 [0,2,0,0,0,0|2,0,0]=4 18922 B13R0.147 COCCOCCCSC[C@@H](C)CO 62a_100000059175_100011216529 [0,2,0,0,0,0|2,0,0]=4 18923 B13R0.147 COCCOCCCSC[C@@H](C)CO 62a_100011216529_100000059175 [0,2,0,0,0,0|2,0,0]=4 18924 B13R0.147 COCCOCCCSC[C@@H](O)CO 62a_100009815848_100011216529 [0,2,0,0,0,0|2,0,0]=4 18925 B13R0.147 COCCOCCCSC[C@@H](O)CO 62a_100011216529_100009815848 [0,2,0,0,0,0|2,0,0]=4 18926 B13R0.147 COCCOCCNCCC(C)CO 2230a_106354213184_100000695917 [0,2,0,0,0,0|2,0,0]=4 18927 B13R0.147 COCCOCCNCCC(C)CO 34a_106354213184_100000695917 [0,2,0,0,0,0|2,0,0]=4 18928 B13R0.147 CO[C@H](C)CNCCCCCCCO 2230a_100020591295_100000760002 [0,2,0,0,0,0|1,0,0]=3 18929 B13R0.147 C[C@@H](CN)CCCOCCCCCF 34a_100160569302_100000729378 [0,2,0,0,0,0|2,0,0]=4 18930 B13R0.147 C[C@@H](CN)CCCOCCCCCO 34a_100160569302_100000746330 [0,2,0,0,0,0|1,0,0]=3 18931 B13R0.147 C[C@@H](CN)CCCOCCOCCO 34a_100160569302_100000692535 [0,2,0,0,0,0|2,0,0]=4 18932 B13R0.147 C[C@@H](CO)CNCCCCCCCO 2230a_100011996573_100000059175 [0,2,0,0,0,0|1,0,0]=3 18933 B13R0.147 C[C@@H](CO)CNCCCCCCCO 34a_100011996573_100000059175 [0,2,0,0,0,0|1,0,0]=3 18934 B13R0.147 C[C@@H](CO)CNCCCOCCCO 2230a_100011310245_100000059175 [0,2,0,0,0,0|2,0,0]=4 18935 B13R0.147 C[C@@H](CO)CNCCCOCCCO 34a_100011310245_100000059175 [0,2,0,0,0,0|2,0,0]=4 18936 B13R0.147 C[C@@H](CO)COCCCCCCCBr 34a_100000760002_100000059175 [0,2,0,0,0,0|1,0,0]=3 18937 B13R0.147 C[C@@H](CO)COCCCCCCCBr 7a_100000760002_100000059175 [0,2,0,0,0,0|1,0,0]=3 18938 B13R0.147 C[C@@H](CO)COCCCCCCCN 34a_100011996573_100000059175 [0,2,0,0,0,0|1,0,0]=3 18939 B13R0.147 C[C@@H](CO)COCCCOCCCN 34a_100011310245_100000059175 [0,2,0,0,0,0|2,0,0]=4 18940 B13R0.147 C[C@@H](CO)CSCCCCCCC#N 62a_100000059175_100009813337 [0,2,0,0,0,0|1,0,1]=4 18941 B13R0.147 C[C@@H](CO)CSCCCCCCC#N 62a_100009813337_100000059175 [0,2,0,0,0,0|1,0,1]=4 18942 B13R0.147 C[C@@H](CO)CSCCCCCCCO 62a_100000059175_100000760002 [0,2,0,0,0,0|1,0,0]=3 18943 B13R0.147 C[C@@H](CO)CSCCCCCCCO 62a_100000760002_100000059175 [0,2,0,0,0,0|1,0,0]=3 18944 B13R0.147 C[C@H](CO)NCCCCCCCCO 2230a_100000737577_100000033203 [0,2,0,0,0,0|1,0,0]=3 18945 B13R0.147 C[C@H](CO)SCCCCCCCCO 62a_100000033203_100016084084 [0,2,0,0,0,0|1,0,0]=3 18946 B13R0.147 C[C@H](CO)SCCCCCCCCO 62a_100016084084_100000033203 [0,2,0,0,0,0|1,0,0]=3 18947 B13R0.147 N#CC(F)SCCCCCCCCO 62a_100000033203_200000117898 [0,2,0,0,0,0|1,0,1]=4 18948 B13R0.147 N#CC(F)SCCCCCCCCO 62a_200000117898_100000033203 [0,2,0,0,0,0|1,0,1]=4 18949 B13R0.147 N#CCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813337 [0,2,0,0,0,0|1,0,1]=4 18950 B13R0.147 N#CCCCCCCSCC(O)CO 62a_100009813337_100011219619 [0,2,0,0,0,0|1,0,1]=4 18951 B13R0.147 N#CCCCCCCSCC(O)CO 62a_100011219619_100009813337 [0,2,0,0,0,0|1,0,1]=4 18952 B13R0.147 N#CCCCCCCSC[C@@H](O)CO 62a_100009813337_100009815848 [0,2,0,0,0,0|1,0,1]=4 18953 B13R0.147 N#CCCCCCCSC[C@@H](O)CO 62a_100009815848_100009813337 [0,2,0,0,0,0|1,0,1]=4 18954 B13R0.147 NCCCCCCCOCC(O)CO 34a_100011996573_100011219619 [0,2,0,0,0,0|1,0,0]=3 18955 B13R0.147 NCCCCCCCOC[C@@H](O)CF 34a_100011996573_100015614560 [0,2,0,0,0,0|2,0,0]=4 18956 B13R0.147 NCCCCCCCOC[C@@H](O)CO 34a_100011996573_100009815848 [0,2,0,0,0,0|1,0,0]=3 18957 B13R0.147 NCCCOCCCOCC(O)CO 34a_100011310245_100011219619 [0,2,0,0,0,0|2,0,0]=4 18958 B13R0.147 NCCCOCCCOC[C@@H](O)CO 34a_100011310245_100009815848 [0,2,0,0,0,0|2,0,0]=4 18959 B13R0.147 NC[C@@H](F)COCCCCCCCO 34a_100015665980_100000760002 [0,2,0,0,0,0|1,0,0]=3 18960 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|1,0,1]=4 18961 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,1]=3 18962 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,1]=4 18963 B13R0.147 OCC(O)COCCCCCCCBr 34a_100000760002_100011219619 [0,2,0,0,0,0|1,0,0]=3 18964 B13R0.147 OCC(O)COCCCCCCCBr 7a_100000760002_100011219619 [0,2,0,0,0,0|1,0,0]=3 18965 B13R0.147 OCCCCCCCNCC(O)CO 2230a_100011996573_100011219619 [0,2,0,0,0,0|1,0,0]=3 18966 B13R0.147 OCCCCCCCNCC(O)CO 34a_100011996573_100011219619 [0,2,0,0,0,0|1,0,0]=3 18967 B13R0.147 OCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000760002 [0,2,0,0,0,0|1,0,0]=3 18968 B13R0.147 OCCCCCCCNC[C@@H](O)CF 2230a_100011996573_100015614560 [0,2,0,0,0,0|1,0,0]=3 18969 B13R0.147 OCCCCCCCNC[C@@H](O)CF 34a_100011996573_100015614560 [0,2,0,0,0,0|1,0,0]=3 18970 B13R0.147 OCCCCCCCNC[C@@H](O)CO 2230a_100011996573_100009815848 [0,2,0,0,0,0|1,0,0]=3 18971 B13R0.147 OCCCCCCCNC[C@@H](O)CO 34a_100011996573_100009815848 [0,2,0,0,0,0|1,0,0]=3 18972 B13R0.147 OCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000760002 [0,2,0,0,0,0|1,0,0]=3 18973 B13R0.147 OCCCCCCCOCC(Cl)CCl 34a_100000033668_100000760002 [0,2,0,0,0,0|1,0,0]=3 18974 B13R0.147 OCCCCCCCSCC(O)CO 62a_100000760002_100011219619 [0,2,0,0,0,0|1,0,0]=3 18975 B13R0.147 OCCCCCCCSCC(O)CO 62a_100011219619_100000760002 [0,2,0,0,0,0|1,0,0]=3 18976 B13R0.147 OCCCCCCCSC[C@@H](O)CF 62a_100000760002_100015614560 [0,2,0,0,0,0|1,0,0]=3 18977 B13R0.147 OCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000760002 [0,2,0,0,0,0|1,0,0]=3 18978 B13R0.147 OCCCCCCCSC[C@@H](O)CO 62a_100000760002_100009815848 [0,2,0,0,0,0|1,0,0]=3 18979 B13R0.147 OCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000760002 [0,2,0,0,0,0|1,0,0]=3 18980 B13R0.147 OCCCOCCCNCC(O)CO 2230a_100011310245_100011219619 [0,2,0,0,0,0|2,0,0]=4 18981 B13R0.147 OCCCOCCCNCC(O)CO 34a_100011310245_100011219619 [0,2,0,0,0,0|2,0,0]=4 18982 B13R0.147 OCCCOCCCNC[C@@H](O)CF 2230a_100011310245_100015614560 [0,2,0,0,0,0|2,0,0]=4 18983 B13R0.147 OCCCOCCCNC[C@@H](O)CF 34a_100011310245_100015614560 [0,2,0,0,0,0|2,0,0]=4 18984 B13R0.147 OCCCOCCCNC[C@@H](O)CO 2230a_100011310245_100009815848 [0,2,0,0,0,0|2,0,0]=4 18985 B13R0.147 OCCCOCCCNC[C@@H](O)CO 34a_100011310245_100009815848 [0,2,0,0,0,0|2,0,0]=4 18986 B13R0.147 OC[C@H](O)COCCCCCCCBr 34a_100000760002_100009815848 [0,2,0,0,0,0|1,0,0]=3 18987 B13R0.147 OC[C@H](O)COCCCCCCCBr 7a_100000760002_100009815848 [0,2,0,0,0,0|1,0,0]=3 18988 B13R0.147 O[C@@H](CF)COCCCCCCCBr 34a_100000760002_100015614560 [0,2,0,0,0,0|2,0,0]=4 18989 B13R0.147 O[C@@H](CF)COCCCCCCCBr 7a_100000760002_100015614560 [0,2,0,0,0,0|2,0,0]=4 18990 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100000696528_100000210757 [0,2,0,0,0,0|1,0,1]=4 18991 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100102632555_100010269958 [0,2,0,0,0,0|1,0,1]=4 18992 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100000696528_100000746330 [0,2,0,0,0,0|0,0,2]=4 18993 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100102619762_100010269958 [0,2,0,0,0,0|0,0,2]=4 18994 B13R0.165 C#CCCCCN(C)CCCCCC 2230a_106256046315_100010269958 [0,2,0,0,0,0|1,0,1]=4 18995 B13R0.165 C#CCCCCN(C)CCCCCC 269982a_106256046315_100010269958 [0,2,0,0,0,0|1,0,1]=4 18996 B13R0.165 C#CCCCCN(C)CCCCCO 2230a_100000722520_100010269958 [0,2,0,0,0,0|0,0,2]=4 18997 B13R0.165 C#CCCCCN(C)CCCCCO 269982a_100000722520_100010269958 [0,2,0,0,0,0|0,0,2]=4 18998 B13R0.165 C#CCCCNC(C)CCCCCC 2230a_100000210919_100000731252 [0,2,0,0,0,0|1,0,1]=4 18999 B13R0.165 C#CCCCNC(C)CCCCCC 270004a_100000718082_100000210826 [0,2,0,0,0,0|1,0,1]=4 19000 B13R0.165 C#CCCCNC(C)CCCCCC 34a_100000210919_100000695029 [0,2,0,0,0,0|1,0,1]=4 19001 B13R0.165 C#CCCCNC(C)CCCCCC 34a_100000718082_100011215978 [0,2,0,0,0,0|1,0,1]=4 19002 B13R0.165 C#CCCCOC(C)CCCCCC 34a_100000210265_100000695029 [0,2,0,0,0,0|1,0,1]=4 19003 B13R0.165 C#CCCCOC(C)CCCCCC 34a_100000215630_100011215978 [0,2,0,0,0,0|1,0,1]=4 19004 B13R0.165 C#CCCCOC(C)CCCCCC 7a_100000210265_100011215417 [0,2,0,0,0,0|1,0,1]=4 19005 B13R0.165 C#CCCCOC(C)CCCCCC 7a_100000215630_100011215978 [0,2,0,0,0,0|1,0,1]=4 19006 B13R0.165 C#CCCCSC(C)CCCCCC 62a_100011215417_100011215978 [0,2,0,0,0,0|1,0,1]=4 19007 B13R0.165 C#CCCCSC(C)CCCCCC 62a_100011215978_100011215417 [0,2,0,0,0,0|1,0,1]=4 19008 B13R0.165 C#CCOCCC(C)CCCCCC 34a_200011024964_100000184674 [0,2,0,0,0,0|1,0,1]=4 19009 B13R0.165 C#CCOCCC(C)CCCCCC 7a_200011024964_100000038162 [0,2,0,0,0,0|1,0,1]=4 19010 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,2,0,0,0,0|1,0,1]=4 19011 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,2,0,0,0,0|1,0,1]=4 19012 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,2,0,0,0,0|0,0,2]=4 19013 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,2,0,0,0,0|0,0,2]=4 19014 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [0,2,0,0,0,0|1,0,1]=4 19015 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [0,2,0,0,0,0|1,0,1]=4 19016 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [0,2,0,0,0,0|1,0,1]=4 19017 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [0,2,0,0,0,0|1,0,1]=4 19018 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100000722520_100011215482 [0,2,0,0,0,0|0,0,2]=4 19019 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100012000471_100000746330 [0,2,0,0,0,0|0,0,2]=4 19020 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100000722520_100011215482 [0,2,0,0,0,0|0,0,2]=4 19021 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100012000471_100000746330 [0,2,0,0,0,0|0,0,2]=4 19022 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [0,2,0,0,0,0|1,0,1]=4 19023 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [0,2,0,0,0,0|1,0,1]=4 19024 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [0,2,0,0,0,0|1,0,1]=4 19025 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [0,2,0,0,0,0|1,0,1]=4 19026 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [0,2,0,0,0,0|1,0,1]=4 19027 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [0,2,0,0,0,0|1,0,1]=4 19028 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [0,2,0,0,0,0|1,0,1]=4 19029 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [0,2,0,0,0,0|1,0,1]=4 19030 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [0,2,0,0,0,0|1,0,1]=4 19031 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011215978_100000757094 [0,2,0,0,0,0|1,0,1]=4 19032 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011713584_100011215978 [0,2,0,0,0,0|1,0,1]=4 19033 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [0,2,0,0,0,0|1,0,1]=4 19034 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [0,2,0,0,0,0|1,0,1]=4 19035 B13R0.165 CC/C=C\CCC(=O)CCCCCO 1458a_100102619762_100015370543 [0,2,0,0,0,0|0,0,2]=4 19036 B13R0.165 CC/C=C\CCN(C)CCCCCO 2230a_100000722520_100015370543 [0,2,0,0,0,0|0,0,2]=4 19037 B13R0.165 CC/C=C\CCN(C)CCCCCO 269982a_100000722520_100015370543 [0,2,0,0,0,0|0,0,2]=4 19038 B13R0.165 CCC/C=C/CC(=O)CCCCCO 1458a_200016266809_100000746330 [0,2,0,0,0,0|0,0,2]=4 19039 B13R0.165 CCCCC=CC(=O)CCCCCO 1458a_100016266645_100000746330 [0,2,0,0,0,0|0,0,2]=4 19040 B13R0.165 CCCCCCC(=O)CCCCC#N 1458a_100102632555_100000211819 [0,2,0,0,0,0|1,0,1]=4 19041 B13R0.165 CCCCCCC(=O)CCCCCC 1458a_100102632555_100000210757 [0,2,0,0,0,0|1,0,0]=3 19042 B13R0.165 CCCCCCC(=O)CCCCCF 1458a_100102632555_100000729378 [0,2,0,0,0,0|1,0,0]=3 19043 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [0,2,0,0,0,0|0,0,0]=2 19044 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [0,2,0,0,0,0|0,0,0]=2 19045 B13R0.165 CCCCCCC(=O)CCCCOC 1458a_100102632555_100000755781 [0,2,0,0,0,0|0,0,1]=3 19046 B13R0.165 CCCCCCC(=O)CCCOCC 1458a_100102632555_100012232248 [0,2,0,0,0,0|1,0,1]=4 19047 B13R0.165 CCCCCCC(=O)CCOCCC 1458a_100102632555_100011215938 [0,2,0,0,0,0|1,0,1]=4 19048 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100011229844_100000210757 [0,2,0,0,0,0|0,0,1]=3 19049 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100102632555_100011215305 [0,2,0,0,0,0|0,0,1]=3 19050 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100000757543_100000210757 [0,2,0,0,0,0|1,0,1]=4 19051 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100102632555_100011995733 [0,2,0,0,0,0|1,0,1]=4 19052 B13R0.165 CCCCCCC(=O)COCCOC 1458a_100000211095_100000210757 [0,2,0,0,0,0|1,0,1]=4 19053 B13R0.165 CCCCCCC(=O)CSCCCC 1458a_100000191162_100000210757 [0,2,0,0,0,0|1,0,1]=4 19054 B13R0.165 CCCCCCC(=O)NCCCCC 11a_100000209983_100102632555 [0,2,0,0,0,0|1,0,1]=4 19055 B13R0.165 CCCCCCC(=O)NCCCCC 1626a_100000209983_100102632555 [0,2,0,0,0,0|1,0,1]=4 19056 B13R0.165 CCCCCCC(=O)NCCCCC 240690a_100000209983_100102632555 [0,2,0,0,0,0|1,0,1]=4 19057 B13R0.165 CCCCCCC(=O)NCCCCC 527a_100000209983_100102632555 [0,2,0,0,0,0|1,0,1]=4 19058 B13R0.165 CCCCCCC(=O)NCCCCO 240690a_100000750430_100102632555 [0,2,0,0,0,0|0,0,1]=3 19059 B13R0.165 CCCCCCC(=O)NCCCCO 527a_100000750430_100102632555 [0,2,0,0,0,0|0,0,1]=3 19060 B13R0.165 CCCCCCC(=O)NCCCOC 1626a_100150723488_100102632555 [0,2,0,0,0,0|1,0,1]=4 19061 B13R0.165 CCCCCCC(=O)NCCCOC 240690a_100150723488_100102632555 [0,2,0,0,0,0|1,0,1]=4 19062 B13R0.165 CCCCCCC(=O)NCCCOC 527a_100150723488_100102632555 [0,2,0,0,0,0|1,0,1]=4 19063 B13R0.165 CCCCCCC(C)CCOCC#N 7a_200011024964_100011215382 [0,2,0,0,0,0|1,0,1]=4 19064 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [0,2,0,0,0,0|0,0,2]=4 19065 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [0,2,0,0,0,0|0,0,2]=4 19066 B13R0.165 CCCCCCC(C)CCOCCC 34a_200011024964_100000210303 [0,2,0,0,0,0|1,0,0]=3 19067 B13R0.165 CCCCCCC(C)CCOCCC 7a_200011024964_100000210303 [0,2,0,0,0,0|1,0,0]=3 19068 B13R0.165 CCCCCCC(C)CCOCCF 34a_200011024964_100011217306 [0,2,0,0,0,0|1,0,0]=3 19069 B13R0.165 CCCCCCC(C)CCOCCF 7a_200011024964_100011217306 [0,2,0,0,0,0|1,0,0]=3 19070 B13R0.165 CCCCCCC(C)CCOCCO 34a_200011024964_100000211926 [0,2,0,0,0,0|0,0,0]=2 19071 B13R0.165 CCCCCCC(C)CCOCCO 7a_200011024964_100000211926 [0,2,0,0,0,0|0,0,0]=2 19072 B13R0.165 CCCCCCC(C)CCOCSC 34a_200011024964_100011218213 [0,2,0,0,0,0|1,1,0]=4 19073 B13R0.165 CCCCCCC(C)NCC#CCO 2230a_100000210919_200000047223 [0,2,0,0,0,0|0,0,2]=4 19074 B13R0.165 CCCCCCC(C)NCC#CCO 34a_100000210919_200000047223 [0,2,0,0,0,0|0,0,2]=4 19075 B13R0.165 CCCCCCC(C)NCCCC#N 2230a_100000210919_100000687738 [0,2,0,0,0,0|1,0,1]=4 19076 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [0,2,0,0,0,0|0,0,2]=4 19077 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000209983_100011215978 [0,2,0,0,0,0|1,0,0]=3 19078 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000210919_100000210326 [0,2,0,0,0,0|1,0,0]=3 19079 B13R0.165 CCCCCCC(C)NCCCCC 270004a_100000209983_100000210826 [0,2,0,0,0,0|1,0,0]=3 19080 B13R0.165 CCCCCCC(C)NCCCCC 34a_100000210919_100000718602 [0,2,0,0,0,0|1,0,0]=3 19081 B13R0.165 CCCCCCC(C)NCCCCF 2230a_100000210919_100000729493 [0,2,0,0,0,0|1,0,0]=3 19082 B13R0.165 CCCCCCC(C)NCCCCF 34a_100000210919_100000729493 [0,2,0,0,0,0|1,0,0]=3 19083 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000210919_100000210776 [0,2,0,0,0,0|0,0,0]=2 19084 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000750430_100011215978 [0,2,0,0,0,0|0,0,0]=2 19085 B13R0.165 CCCCCCC(C)NCCCCO 270004a_100000750430_100000210826 [0,2,0,0,0,0|0,0,0]=2 19086 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000210919_100011216708 [0,2,0,0,0,0|0,0,0]=2 19087 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000750430_100011215978 [0,2,0,0,0,0|0,0,0]=2 19088 B13R0.165 CCCCCCC(C)NCCCOC 2230a_100000210919_100000740836 [0,2,0,0,0,0|1,0,0]=3 19089 B13R0.165 CCCCCCC(C)NCCCOC 270004a_100150723488_100000210826 [0,2,0,0,0,0|1,0,0]=3 19090 B13R0.165 CCCCCCC(C)NCCCOC 34a_100000210919_100000740836 [0,2,0,0,0,0|1,0,0]=3 19091 B13R0.165 CCCCCCC(C)NCCCOC 34a_100150723488_100011215978 [0,2,0,0,0,0|1,0,0]=3 19092 B13R0.165 CCCCCCC(C)NCCCSC 2230a_100000749238_100011215978 [0,2,0,0,0,0|1,1,0]=4 19093 B13R0.165 CCCCCCC(C)NCCCSC 270004a_100000749238_100000210826 [0,2,0,0,0,0|1,1,0]=4 19094 B13R0.165 CCCCCCC(C)NCCOCC 2230a_100000210919_100011215890 [0,2,0,0,0,0|2,0,0]=4 19095 B13R0.165 CCCCCCC(C)NCCOCC 2230a_102516460346_100011215978 [0,2,0,0,0,0|2,0,0]=4 19096 B13R0.165 CCCCCCC(C)NCCOCC 270004a_102516460346_100000210826 [0,2,0,0,0,0|2,0,0]=4 19097 B13R0.165 CCCCCCC(C)NCCOCC 34a_100000210919_100000210147 [0,2,0,0,0,0|2,0,0]=4 19098 B13R0.165 CCCCCCC(C)NCCOCC 34a_102516460346_100011215978 [0,2,0,0,0,0|2,0,0]=4 19099 B13R0.165 CCCCCCC(C)NCCSCC 2230a_100000106463_100011215978 [0,2,0,0,0,0|2,0,0]=4 19100 B13R0.165 CCCCCCC(C)NCCSCC 2230a_100000210919_100000757381 [0,2,0,0,0,0|2,0,0]=4 19101 B13R0.165 CCCCCCC(C)NCCSCC 270004a_100000106463_100000210826 [0,2,0,0,0,0|2,0,0]=4 19102 B13R0.165 CCCCCCC(C)NCCSCC 34a_100000210919_100000757381 [0,2,0,0,0,0|2,0,0]=4 19103 B13R0.165 CCCCCCC(C)OCC#CCO 34a_100000210265_200000047223 [0,2,0,0,0,0|0,0,2]=4 19104 B13R0.165 CCCCCCC(C)OCC#CCO 7a_100000210265_200000047223 [0,2,0,0,0,0|0,0,2]=4 19105 B13R0.165 CCCCCCC(C)OCCCC#N 7a_100000210265_100000687738 [0,2,0,0,0,0|1,0,1]=4 19106 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [0,2,0,0,0,0|0,0,2]=4 19107 B13R0.165 CCCCCCC(C)OCCCCBr 34a_100011216708_100011215978 [0,2,0,0,0,0|1,0,0]=3 19108 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210253_100011215978 [0,2,0,0,0,0|1,0,0]=3 19109 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210265_100000718602 [0,2,0,0,0,0|1,0,0]=3 19110 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210253_100011215978 [0,2,0,0,0,0|1,0,0]=3 19111 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210265_100000210326 [0,2,0,0,0,0|1,0,0]=3 19112 B13R0.165 CCCCCCC(C)OCCCCCl 34a_100000210776_100011215978 [0,2,0,0,0,0|1,0,0]=3 19113 B13R0.165 CCCCCCC(C)OCCCCCl 7a_100000210776_100011215978 [0,2,0,0,0,0|1,0,0]=3 19114 B13R0.165 CCCCCCC(C)OCCCCF 34a_100000210265_100000729493 [0,2,0,0,0,0|1,0,0]=3 19115 B13R0.165 CCCCCCC(C)OCCCCF 34a_100011995726_100011215978 [0,2,0,0,0,0|1,0,0]=3 19116 B13R0.165 CCCCCCC(C)OCCCCF 7a_100000210265_100000729493 [0,2,0,0,0,0|1,0,0]=3 19117 B13R0.165 CCCCCCC(C)OCCCCF 7a_100011995726_100011215978 [0,2,0,0,0,0|1,0,0]=3 19118 B13R0.165 CCCCCCC(C)OCCCCI 34a_200012148704_100011215978 [0,2,0,0,0,0|1,0,0]=3 19119 B13R0.165 CCCCCCC(C)OCCCCN 34a_100000750430_100011215978 [0,2,0,0,0,0|1,0,0]=3 19120 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [0,2,0,0,0,0|0,0,0]=2 19121 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [0,2,0,0,0,0|0,0,0]=2 19122 B13R0.165 CCCCCCC(C)OCCCNC 34a_100000213112_100011215978 [0,2,0,0,0,0|2,0,0]=4 19123 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000210265_100000740836 [0,2,0,0,0,0|1,0,0]=3 19124 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000740835_100011215978 [0,2,0,0,0,0|1,0,0]=3 19125 B13R0.165 CCCCCCC(C)OCCCOC 7a_100000210265_100000740836 [0,2,0,0,0,0|1,0,0]=3 19126 B13R0.165 CCCCCCC(C)OCCCSC 34a_100000690336_100011215978 [0,2,0,0,0,0|1,1,0]=4 19127 B13R0.165 CCCCCCC(C)OCCCSC 7a_100000690336_100011215978 [0,2,0,0,0,0|1,1,0]=4 19128 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210136_100011215978 [0,2,0,0,0,0|2,0,0]=4 19129 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210265_100000210147 [0,2,0,0,0,0|2,0,0]=4 19130 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210136_100011215978 [0,2,0,0,0,0|2,0,0]=4 19131 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210265_100011215890 [0,2,0,0,0,0|2,0,0]=4 19132 B13R0.165 CCCCCCC(C)OCCSCC 34a_100000210265_100000757381 [0,2,0,0,0,0|2,0,0]=4 19133 B13R0.165 CCCCCCC(C)OCCSCC 34a_100000212035_100011215978 [0,2,0,0,0,0|2,0,0]=4 19134 B13R0.165 CCCCCCC(C)OCCSCC 7a_100000210265_100000757381 [0,2,0,0,0,0|2,0,0]=4 19135 B13R0.165 CCCCCCC(C)OCCSCC 7a_100000212035_100011215978 [0,2,0,0,0,0|2,0,0]=4 19136 B13R0.165 CCCCCCC(C)SCC#CCO 62a_100011215978_200000047223 [0,2,0,0,0,0|0,0,2]=4 19137 B13R0.165 CCCCCCC(C)SCC#CCO 62a_200000047223_100011215978 [0,2,0,0,0,0|0,0,2]=4 19138 B13R0.165 CCCCCCC(C)SCCCC#N 62a_100000687738_100011215978 [0,2,0,0,0,0|1,0,1]=4 19139 B13R0.165 CCCCCCC(C)SCCCC#N 62a_100011215978_100000687738 [0,2,0,0,0,0|1,0,1]=4 19140 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [0,2,0,0,0,0|0,0,2]=4 19141 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [0,2,0,0,0,0|0,0,2]=4 19142 B13R0.165 CCCCCCC(C)SCCCCC 62a_100000210326_100011215978 [0,2,0,0,0,0|1,0,0]=3 19143 B13R0.165 CCCCCCC(C)SCCCCC 62a_100011215978_100000210326 [0,2,0,0,0,0|1,0,0]=3 19144 B13R0.165 CCCCCCC(C)SCCCCF 62a_100000729493_100011215978 [0,2,0,0,0,0|1,0,0]=3 19145 B13R0.165 CCCCCCC(C)SCCCCF 62a_100011215978_100000729493 [0,2,0,0,0,0|1,0,0]=3 19146 B13R0.165 CCCCCCC(C)SCCCCO 62a_100000210776_100011215978 [0,2,0,0,0,0|0,0,0]=2 19147 B13R0.165 CCCCCCC(C)SCCCCO 62a_100011215978_100000210776 [0,2,0,0,0,0|0,0,0]=2 19148 B13R0.165 CCCCCCC(C)SCCCOC 62a_100000709357_100011215978 [0,2,0,0,0,0|1,0,0]=3 19149 B13R0.165 CCCCCCC(C)SCCCOC 62a_100011215978_100000709357 [0,2,0,0,0,0|1,0,0]=3 19150 B13R0.165 CCCCCCC(C)SCCOCC 62a_100000210147_100011215978 [0,2,0,0,0,0|2,0,0]=4 19151 B13R0.165 CCCCCCC(C)SCCOCC 62a_100011215978_100011215890 [0,2,0,0,0,0|2,0,0]=4 19152 B13R0.165 CCCCCCC(C)SCCSCC 62a_100000757381_100011215978 [0,2,0,0,0,0|2,0,0]=4 19153 B13R0.165 CCCCCCC(C)SCCSCC 62a_100011215978_100000757381 [0,2,0,0,0,0|2,0,0]=4 19154 B13R0.165 CCCCCCN(C)CCCCC#N 2230a_106256046315_100000211819 [0,2,0,0,0,0|1,0,1]=4 19155 B13R0.165 CCCCCCN(C)CCCCC#N 269982a_106256046315_100011219923 [0,2,0,0,0,0|1,0,1]=4 19156 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [0,2,0,0,0,0|0,0,2]=4 19157 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [0,2,0,0,0,0|0,0,2]=4 19158 B13R0.165 CCCCCCN(C)CCCCCC 2230a_100000210582_200000210301 [0,2,0,0,0,0|1,0,0]=3 19159 B13R0.165 CCCCCCN(C)CCCCCC 2230a_106256046315_100000210314 [0,2,0,0,0,0|1,0,0]=3 19160 B13R0.165 CCCCCCN(C)CCCCCC 269982a_100000210582_200000210301 [0,2,0,0,0,0|1,0,0]=3 19161 B13R0.165 CCCCCCN(C)CCCCCC 269982a_106256046315_100000210757 [0,2,0,0,0,0|1,0,0]=3 19162 B13R0.165 CCCCCCN(C)CCCCCF 2230a_106256046315_100000729378 [0,2,0,0,0,0|1,0,0]=3 19163 B13R0.165 CCCCCCN(C)CCCCCF 269982a_106256046315_100000729378 [0,2,0,0,0,0|1,0,0]=3 19164 B13R0.165 CCCCCCN(C)CCCCCO 2230a_100000722520_100000210314 [0,2,0,0,0,0|0,0,0]=2 19165 B13R0.165 CCCCCCN(C)CCCCCO 2230a_106256046315_100000746330 [0,2,0,0,0,0|0,0,0]=2 19166 B13R0.165 CCCCCCN(C)CCCCCO 269982a_100000722520_100000210757 [0,2,0,0,0,0|0,0,0]=2 19167 B13R0.165 CCCCCCN(C)CCCCCO 269982a_106256046315_100000746330 [0,2,0,0,0,0|0,0,0]=2 19168 B13R0.165 CCCCCCN(C)CCCCOC 2230a_106256046315_100000730899 [0,2,0,0,0,0|1,0,0]=3 19169 B13R0.165 CCCCCCN(C)CCCCOC 269982a_106256046315_100000730899 [0,2,0,0,0,0|1,0,0]=3 19170 B13R0.165 CCCCCCN(C)CCCOCC 2230a_106256046315_100012232248 [0,2,0,0,0,0|2,0,0]=4 19171 B13R0.165 CCCCCCN(C)CCCOCC 269982a_106256046315_100012232248 [0,2,0,0,0,0|2,0,0]=4 19172 B13R0.165 CCCCCCN(C)CCOCCC 2230a_106256046315_100011215938 [0,2,0,0,0,0|2,0,0]=4 19173 B13R0.165 CCCCCCN(C)CCOCCC 269982a_106256046315_100011215938 [0,2,0,0,0,0|2,0,0]=4 19174 B13R0.165 CCCCCCN(C)CCOCCO 2230a_100000228057_100000210314 [0,2,0,0,0,0|1,0,0]=3 19175 B13R0.165 CCCCCCN(C)CCOCCO 2230a_106256046315_100011215305 [0,2,0,0,0,0|1,0,0]=3 19176 B13R0.165 CCCCCCN(C)CCOCCO 269982a_100000228057_100000210757 [0,2,0,0,0,0|1,0,0]=3 19177 B13R0.165 CCCCCCN(C)CCOCCO 269982a_106256046315_100011215305 [0,2,0,0,0,0|1,0,0]=3 19178 B13R0.165 CCCCCCN(C)COCCCC 2230a_106256046315_100011995733 [0,2,0,0,0,0|2,0,0]=4 19179 B13R0.165 CCCCCCN(C)COCCCC 269982a_106256046315_100011995733 [0,2,0,0,0,0|2,0,0]=4 19180 B13R0.165 CCCCCCN(C)COCCOC 2230a_106256046315_100000231047 [0,2,0,0,0,0|2,0,0]=4 19181 B13R0.165 CCCCCCN(C)COCCOC 269982a_106256046315_100000231047 [0,2,0,0,0,0|2,0,0]=4 19182 B13R0.165 CCCCCCN([13CH3])CCCCCC 2230a_100000210582_200025704644 [0,2,0,0,0,0|1,0,0]=3 19183 B13R0.165 CCCCCCN([13CH3])CCCCCC 269982a_100000210582_200025704644 [0,2,0,0,0,0|1,0,0]=3 19184 B13R0.165 CCCCCNC(=O)CCCCCO 240690a_100000209983_100102619762 [0,2,0,0,0,0|0,0,1]=3 19185 B13R0.165 CCCCCNC(=O)CCOCCO 1626a_100000209983_100011229844 [0,2,0,0,0,0|1,0,1]=4 19186 B13R0.165 CCCCCNC(=O)CCOCCO 240690a_100000209983_100011229844 [0,2,0,0,0,0|1,0,1]=4 19187 B13R0.165 CCCCCNC(=O)CSCCCO 62a_100000230301_100011215043 [0,2,0,0,0,0|1,0,1]=4 19188 B13R0.165 CCCCCNC(=O)CSCCCO 62a_100011215043_100000230301 [0,2,0,0,0,0|1,0,1]=4 19189 B13R0.165 CCCCCNC(=O)NCCCCO 2708a_100000209983_100000750430 [0,2,0,0,0,0|1,0,1]=4 19190 B13R0.165 CCCCCNC(=O)NCCCCO 2708a_100000750430_100000209983 [0,2,0,0,0,0|1,0,1]=4 19191 B13R0.165 CCCCCNC(=O)NCCCCO 273464a_100000209983_100000750430 [0,2,0,0,0,0|1,0,1]=4 19192 B13R0.165 CCCCCNC(=O)NCCCCO 273464a_100000750430_100000209983 [0,2,0,0,0,0|1,0,1]=4 19193 B13R0.165 CCCCCNC(=O)NCCCCO 512a_100000209983_100000750430 [0,2,0,0,0,0|1,0,1]=4 19194 B13R0.165 CCCCCNC(=O)NCCCCO 512a_100000750430_100000209983 [0,2,0,0,0,0|1,0,1]=4 19195 B13R0.165 CCCCCOC(C)COCCCC 34a_100011217071_100000718602 [0,2,0,0,0,0|2,0,0]=4 19196 B13R0.165 CCCCCOC(C)COCCCC 7a_100011217071_100000210326 [0,2,0,0,0,0|2,0,0]=4 19197 B13R0.165 CCCCNNC(=O)CCCCCO 22a_100025702795_100102619762 [0,2,0,0,0,0|1,0,1]=4 19198 B13R0.165 CCCCOCC(=O)CCCCCF 1458a_100000757543_100000729378 [0,2,0,0,0,0|1,0,1]=4 19199 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100000757543_100000746330 [0,2,0,0,0,0|0,0,1]=3 19200 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100102619762_100011995733 [0,2,0,0,0,0|0,0,1]=3 19201 B13R0.165 CCCCOCC(=O)CCCCOC 1458a_100000757543_100000755781 [0,2,0,0,0,0|1,0,1]=4 19202 B13R0.165 CCCCOCC(=O)CCOCCO 1458a_100000757543_100011215305 [0,2,0,0,0,0|1,0,1]=4 19203 B13R0.165 CCCCOCC(=O)CCOCCO 1458a_100011229844_100011995733 [0,2,0,0,0,0|1,0,1]=4 19204 B13R0.165 CCCCOCC(=O)NCCCCO 240690a_100000750430_100000757543 [0,2,0,0,0,0|1,0,1]=4 19205 B13R0.165 CCCCOCC(=O)NCCCCO 527a_100000750430_100000757543 [0,2,0,0,0,0|1,0,1]=4 19206 B13R0.165 CCCCOCC(C)OCCCCF 34a_100011217071_100000729493 [0,2,0,0,0,0|2,0,0]=4 19207 B13R0.165 CCCCOCC(C)OCCCCF 7a_100011217071_100000729493 [0,2,0,0,0,0|2,0,0]=4 19208 B13R0.165 CCCCOCC(C)OCCCCO 34a_100011217071_100011216708 [0,2,0,0,0,0|1,0,0]=3 19209 B13R0.165 CCCCOCC(C)OCCCCO 7a_100011217071_100000210776 [0,2,0,0,0,0|1,0,0]=3 19210 B13R0.165 CCCCOCC(C)OCCCOC 34a_100011217071_100000740836 [0,2,0,0,0,0|2,0,0]=4 19211 B13R0.165 CCCCOCC(C)OCCCOC 7a_100011217071_100000740836 [0,2,0,0,0,0|2,0,0]=4 19212 B13R0.165 CCCCOCN(C)CCCCCO 2230a_100000722520_100011995733 [0,2,0,0,0,0|1,0,0]=3 19213 B13R0.165 CCCCOCN(C)CCCCCO 269982a_100000722520_100011995733 [0,2,0,0,0,0|1,0,0]=3 19214 B13R0.165 CCCCOCN(C)CCOCCO 2230a_100000228057_100011995733 [0,2,0,0,0,0|2,0,0]=4 19215 B13R0.165 CCCCOCN(C)CCOCCO 269982a_100000228057_100011995733 [0,2,0,0,0,0|2,0,0]=4 19216 B13R0.165 CCCCSCC(=O)CCCCCF 1458a_100000191162_100000729378 [0,2,0,0,0,0|1,0,1]=4 19217 B13R0.165 CCCCSCC(=O)CCCCCO 1458a_100000191162_100000746330 [0,2,0,0,0,0|0,0,1]=3 19218 B13R0.165 CCCCSCC(=O)CCCCOC 1458a_100000191162_100000755781 [0,2,0,0,0,0|1,0,1]=4 19219 B13R0.165 CCCCSCC(=O)CCOCCO 1458a_100000191162_100011215305 [0,2,0,0,0,0|1,0,1]=4 19220 B13R0.165 CCCCSCC(=O)NCCCCO 240690a_100000750430_100000191162 [0,2,0,0,0,0|1,0,1]=4 19221 B13R0.165 CCCCSCC(=O)NCCCCO 527a_100000750430_100000191162 [0,2,0,0,0,0|1,0,1]=4 19222 B13R0.165 CCCOCCC(=O)CCCCCO 1458a_100102619762_100011215938 [0,2,0,0,0,0|0,0,1]=3 19223 B13R0.165 CCCOCCC(=O)CCOCCO 1458a_100011229844_100011215938 [0,2,0,0,0,0|1,0,1]=4 19224 B13R0.165 CCCOCCN(C)CCCCCO 2230a_100000722520_100011215938 [0,2,0,0,0,0|1,0,0]=3 19225 B13R0.165 CCCOCCN(C)CCCCCO 269982a_100000722520_100011215938 [0,2,0,0,0,0|1,0,0]=3 19226 B13R0.165 CCCOCCN(C)CCOCCO 2230a_100000228057_100011215938 [0,2,0,0,0,0|2,0,0]=4 19227 B13R0.165 CCCOCCN(C)CCOCCO 269982a_100000228057_100011215938 [0,2,0,0,0,0|2,0,0]=4 19228 B13R0.165 CCOCCCC(=O)CCCCCO 1458a_100102619762_100012232248 [0,2,0,0,0,0|0,0,1]=3 19229 B13R0.165 CCOCCCC(=O)CCOCCO 1458a_100011229844_100012232248 [0,2,0,0,0,0|1,0,1]=4 19230 B13R0.165 CCOCCCN(C)CCCCCO 2230a_100000722520_100012232248 [0,2,0,0,0,0|1,0,0]=3 19231 B13R0.165 CCOCCCN(C)CCCCCO 269982a_100000722520_100012232248 [0,2,0,0,0,0|1,0,0]=3 19232 B13R0.165 CCOCCCN(C)CCOCCO 2230a_100000228057_100012232248 [0,2,0,0,0,0|2,0,0]=4 19233 B13R0.165 CCOCCCN(C)CCOCCO 269982a_100000228057_100012232248 [0,2,0,0,0,0|2,0,0]=4 19234 B13R0.165 CCOCCNC(=O)CCCCCO 240690a_100011200944_100102619762 [0,2,0,0,0,0|1,0,1]=4 19235 B13R0.165 CCSCCNC(=O)CCCCCO 240690a_100000106463_100102619762 [0,2,0,0,0,0|1,0,1]=4 19236 B13R0.165 CN(CCCCC#N)CCCCCO 2230a_100000722520_100000211819 [0,2,0,0,0,0|1,0,1]=4 19237 B13R0.165 CN(CCCCC#N)CCCCCO 269982a_100000722520_100011219923 [0,2,0,0,0,0|1,0,1]=4 19238 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [0,2,0,0,0,0|1,0,1]=4 19239 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [0,2,0,0,0,0|1,0,1]=4 19240 B13R0.165 CN(CCCCCF)CCOCCO 2230a_100000228057_100000729378 [0,2,0,0,0,0|2,0,0]=4 19241 B13R0.165 CN(CCCCCF)CCOCCO 269982a_100000228057_100000729378 [0,2,0,0,0,0|2,0,0]=4 19242 B13R0.165 CN(CCCCCO)CCCCCF 2230a_100000722520_100000729378 [0,2,0,0,0,0|1,0,0]=3 19243 B13R0.165 CN(CCCCCO)CCCCCF 269982a_100000722520_100000729378 [0,2,0,0,0,0|1,0,0]=3 19244 B13R0.165 CN(CCCCCO)CCCCCO 2230a_100000722520_100000746330 [0,2,0,0,0,0|1,0,0]=3 19245 B13R0.165 CN(CCCCCO)CCCCCO 269982a_100000722520_100000746330 [0,2,0,0,0,0|1,0,0]=3 19246 B13R0.165 CN(CCCCCO)CCOCCO 2230a_100000228057_100000746330 [0,2,0,0,0,0|2,0,0]=4 19247 B13R0.165 CN(CCCCCO)CCOCCO 2230a_100000722520_100011215305 [0,2,0,0,0,0|2,0,0]=4 19248 B13R0.165 CN(CCCCCO)CCOCCO 269982a_100000228057_100000746330 [0,2,0,0,0,0|2,0,0]=4 19249 B13R0.165 CN(CCCCCO)CCOCCO 269982a_100000722520_100011215305 [0,2,0,0,0,0|2,0,0]=4 19250 B13R0.165 COCCCCC(=O)CCCCCO 1458a_100102619762_100000755781 [0,2,0,0,0,0|0,0,1]=3 19251 B13R0.165 COCCCCC(=O)CCOCCO 1458a_100011229844_100000755781 [0,2,0,0,0,0|1,0,1]=4 19252 B13R0.165 COCCCCN(C)CCCCCO 2230a_100000722520_100000730899 [0,2,0,0,0,0|1,0,0]=3 19253 B13R0.165 COCCCCN(C)CCCCCO 269982a_100000722520_100000730899 [0,2,0,0,0,0|1,0,0]=3 19254 B13R0.165 COCCCCN(C)CCOCCO 2230a_100000228057_100000730899 [0,2,0,0,0,0|2,0,0]=4 19255 B13R0.165 COCCCCN(C)CCOCCO 269982a_100000228057_100000730899 [0,2,0,0,0,0|2,0,0]=4 19256 B13R0.165 COCCCNC(=O)CCCCCO 240690a_100150723488_100102619762 [0,2,0,0,0,0|1,0,1]=4 19257 B13R0.165 COCCOCC(=O)CCCCCO 1458a_100000211095_100000746330 [0,2,0,0,0,0|1,0,1]=4 19258 B13R0.165 COCCOCN(C)CCCCCO 2230a_100000722520_100000231047 [0,2,0,0,0,0|2,0,0]=4 19259 B13R0.165 COCCOCN(C)CCCCCO 269982a_100000722520_100000231047 [0,2,0,0,0,0|2,0,0]=4 19260 B13R0.165 CSCCCNC(=O)CCCCCO 240690a_100000749238_100102619762 [0,2,0,0,0,0|1,0,1]=4 19261 B13R0.165 N#CCCCCC(=O)CCCCCO 1458a_100102619762_100000211819 [0,2,0,0,0,0|0,0,2]=4 19262 B13R0.165 O=C(CCCCCF)CCOCCO 1458a_100011229844_100000729378 [0,2,0,0,0,0|1,0,1]=4 19263 B13R0.165 O=C(CCCCCO)CCCCCF 1458a_100102619762_100000729378 [0,2,0,0,0,0|0,0,1]=3 19264 B13R0.165 O=C(CCCCCO)CCCCCO 1458a_100102619762_100000746330 [0,2,0,0,0,0|0,0,1]=3 19265 B13R0.165 O=C(CCCCCO)CCOCCO 1458a_100011229844_100000746330 [0,2,0,0,0,0|1,0,1]=4 19266 B13R0.165 O=C(CCCCCO)CCOCCO 1458a_100102619762_100011215305 [0,2,0,0,0,0|1,0,1]=4 19267 B13R0.165 O=C(CCCCCO)NCCCCO 240690a_100000750430_100102619762 [0,2,0,0,0,0|1,0,1]=4 19268 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [0,2,0,0,0,0|0,0,1]=3 19269 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [0,2,0,0,0,0|0,0,1]=3 19270 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [0,2,0,0,0,0|0,0,1]=3 19271 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [0,2,0,0,0,0|0,0,1]=3 19272 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [0,2,0,0,0,0|1,0,0]=3 19273 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [0,2,0,0,0,0|1,0,0]=3 19274 B13R0.336 C#CCCCCCCCCCOCF 34a_100000034437_100015361967 [0,2,0,0,0,0|0,0,2]=4 19275 B13R0.336 C#CCCCCCCCCCOCF 7a_100000034437_100015361967 [0,2,0,0,0,0|0,0,2]=4 19276 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [0,2,0,0,0,0|1,0,0]=3 19277 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [0,2,0,0,0,0|1,0,0]=3 19278 B13R0.336 C#CCCCCCCCCOCCF 34a_100000065265_100011217306 [0,2,0,0,0,0|1,0,1]=4 19279 B13R0.336 C#CCCCCCCCCOCCF 7a_100000065265_100011217306 [0,2,0,0,0,0|1,0,1]=4 19280 B13R0.336 C#CCCCCCCCCOCCO 34a_100000065265_100000211926 [0,2,0,0,0,0|0,0,1]=3 19281 B13R0.336 C#CCCCCCCCCOCCO 7a_100000065265_100000211926 [0,2,0,0,0,0|0,0,1]=3 19282 B13R0.336 C#CCCCCCCCCOCSC 34a_100000065265_100011218213 [0,2,0,0,0,0|1,0,1]=4 19283 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [0,2,0,0,0,0|1,0,0]=3 19284 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [0,2,0,0,0,0|1,0,0]=3 19285 B13R0.336 C#CCCCCCCCNCCCF 2230a_100015189416_100153394163 [0,2,0,0,0,0|1,0,1]=4 19286 B13R0.336 C#CCCCCCCCNCCCF 34a_100015189416_100153394163 [0,2,0,0,0,0|1,0,1]=4 19287 B13R0.336 C#CCCCCCCCNCCOC 2230a_100000209980_100153394163 [0,2,0,0,0,0|0,0,2]=4 19288 B13R0.336 C#CCCCCCCCNCCSC 2230a_100020590264_100153394163 [0,2,0,0,0,0|1,0,1]=4 19289 B13R0.336 C#CCCCCCCCOCCCBr 34a_100011217188_100153394163 [0,2,0,0,0,0|1,0,1]=4 19290 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [0,2,0,0,0,0|1,0,0]=3 19291 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [0,2,0,0,0,0|1,0,0]=3 19292 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [0,2,0,0,0,0|1,0,0]=3 19293 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [0,2,0,0,0,0|1,0,0]=3 19294 B13R0.336 C#CCCCCCCCOCCCCl 34a_100000230001_100153394163 [0,2,0,0,0,0|1,0,1]=4 19295 B13R0.336 C#CCCCCCCCOCCCF 34a_100000054614_100011934791 [0,2,0,0,0,0|1,0,1]=4 19296 B13R0.336 C#CCCCCCCCOCCCF 34a_100000759539_100153394163 [0,2,0,0,0,0|1,0,1]=4 19297 B13R0.336 C#CCCCCCCCOCCCF 7a_100000054614_100011934791 [0,2,0,0,0,0|1,0,1]=4 19298 B13R0.336 C#CCCCCCCCOCCCN 34a_100000182051_100153394163 [0,2,0,0,0,0|1,0,1]=4 19299 B13R0.336 C#CCCCCCCCOCCCO 34a_100000054614_100000230001 [0,2,0,0,0,0|0,0,1]=3 19300 B13R0.336 C#CCCCCCCCOCCCO 7a_100000054614_100011215043 [0,2,0,0,0,0|0,0,1]=3 19301 B13R0.336 C#CCCCCCCCOCCOC 34a_100000054614_100011201679 [0,2,0,0,0,0|0,0,2]=4 19302 B13R0.336 C#CCCCCCCCOCCOC 34a_100000210237_100153394163 [0,2,0,0,0,0|0,0,2]=4 19303 B13R0.336 C#CCCCCCCCOCCOC 7a_100000054614_100000233755 [0,2,0,0,0,0|0,0,2]=4 19304 B13R0.336 C#CCCCCCCCOCCON 34a_100000700252_100153394163 [0,2,0,0,0,0|0,0,2]=4 19305 B13R0.336 C#CCCCCCCCOCCSC 34a_100000054614_100000212216 [0,2,0,0,0,0|1,0,1]=4 19306 B13R0.336 C#CCCCCCCCOCCSC 34a_100000230434_100153394163 [0,2,0,0,0,0|1,0,1]=4 19307 B13R0.336 C#CCCCCCCCOCCSC 7a_100000054614_100000212216 [0,2,0,0,0,0|1,0,1]=4 19308 B13R0.336 C#CCCCCCCCOCCSC 7a_100000230434_100153394163 [0,2,0,0,0,0|1,0,1]=4 19309 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [0,2,0,0,0,0|1,0,0]=3 19310 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [0,2,0,0,0,0|1,0,0]=3 19311 B13R0.336 C#CCCCCCCCSCCCF 62a_100011934791_100153394163 [0,2,0,0,0,0|1,0,1]=4 19312 B13R0.336 C#CCCCCCCCSCCCF 62a_100153394163_100011934791 [0,2,0,0,0,0|1,0,1]=4 19313 B13R0.336 C#CCCCCCCCSCCCO 62a_100011215043_100153394163 [0,2,0,0,0,0|0,0,1]=3 19314 B13R0.336 C#CCCCCCCCSCCCO 62a_100153394163_100011215043 [0,2,0,0,0,0|0,0,1]=3 19315 B13R0.336 C#CCCCCCCCSCCOC 62a_100000233755_100153394163 [0,2,0,0,0,0|0,0,2]=4 19316 B13R0.336 C#CCCCCCCCSCCOC 62a_100153394163_100000233755 [0,2,0,0,0,0|0,0,2]=4 19317 B13R0.336 C#CCCCCCCCSCCSC 62a_100000212216_100153394163 [0,2,0,0,0,0|1,0,1]=4 19318 B13R0.336 C#CCCCCCCCSCCSC 62a_100153394163_100000751147 [0,2,0,0,0,0|1,0,1]=4 19319 B13R0.336 C#CCCCCCCCSCOCC 62a_100000739092_100153394163 [0,2,0,0,0,0|1,0,1]=4 19320 B13R0.336 C#CCCCCCCCSCOCC 62a_100153394163_100000739092 [0,2,0,0,0,0|1,0,1]=4 19321 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [0,2,0,0,0,0|1,0,0]=3 19322 B13R0.336 C#CCCCCCCNCCCCO 2230a_100000750430_100012276617 [0,2,0,0,0,0|0,0,1]=3 19323 B13R0.336 C#CCCCCCCNCCCCO 34a_100000750430_100012276617 [0,2,0,0,0,0|0,0,1]=3 19324 B13R0.336 C#CCCCCCCNCCCOC 34a_100150723488_100012276617 [0,2,0,0,0,0|0,0,2]=4 19325 B13R0.336 C#CCCCCCCNCCCSC 2230a_100000749238_100012276617 [0,2,0,0,0,0|1,0,1]=4 19326 B13R0.336 C#CCCCCCCNCCOCC 2230a_102516460346_100012276617 [0,2,0,0,0,0|1,0,1]=4 19327 B13R0.336 C#CCCCCCCNCCOCC 34a_102516460346_100012276617 [0,2,0,0,0,0|1,0,1]=4 19328 B13R0.336 C#CCCCCCCNCCSCC 2230a_100000106463_100012276617 [0,2,0,0,0,0|1,0,1]=4 19329 B13R0.336 C#CCCCCCCOCCCCBr 34a_100011216708_100012276617 [0,2,0,0,0,0|1,0,1]=4 19330 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [0,2,0,0,0,0|1,0,0]=3 19331 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [0,2,0,0,0,0|1,0,0]=3 19332 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [0,2,0,0,0,0|1,0,0]=3 19333 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [0,2,0,0,0,0|1,0,0]=3 19334 B13R0.336 C#CCCCCCCOCCCCCl 34a_100000210776_100012276617 [0,2,0,0,0,0|1,0,1]=4 19335 B13R0.336 C#CCCCCCCOCCCCCl 7a_100000210776_100012276617 [0,2,0,0,0,0|1,0,1]=4 19336 B13R0.336 C#CCCCCCCOCCCCF 34a_100011217361_100000729493 [0,2,0,0,0,0|1,0,1]=4 19337 B13R0.336 C#CCCCCCCOCCCCF 34a_100011995726_100012276617 [0,2,0,0,0,0|1,0,1]=4 19338 B13R0.336 C#CCCCCCCOCCCCF 7a_100011217361_100000729493 [0,2,0,0,0,0|1,0,1]=4 19339 B13R0.336 C#CCCCCCCOCCCCF 7a_100011995726_100012276617 [0,2,0,0,0,0|1,0,1]=4 19340 B13R0.336 C#CCCCCCCOCCCCI 34a_200012148704_100012276617 [0,2,0,0,0,0|1,0,1]=4 19341 B13R0.336 C#CCCCCCCOCCCCN 34a_100000750430_100012276617 [0,2,0,0,0,0|1,0,1]=4 19342 B13R0.336 C#CCCCCCCOCCCCO 34a_100011217361_100011216708 [0,2,0,0,0,0|0,0,1]=3 19343 B13R0.336 C#CCCCCCCOCCCCO 7a_100011217361_100000210776 [0,2,0,0,0,0|0,0,1]=3 19344 B13R0.336 C#CCCCCCCOCCCNC 34a_100000213112_100012276617 [0,2,0,0,0,0|1,0,1]=4 19345 B13R0.336 C#CCCCCCCOCCCOC 34a_100000740835_100012276617 [0,2,0,0,0,0|0,0,2]=4 19346 B13R0.336 C#CCCCCCCOCCCOC 34a_100011217361_100000740836 [0,2,0,0,0,0|0,0,2]=4 19347 B13R0.336 C#CCCCCCCOCCCOC 7a_100011217361_100000740836 [0,2,0,0,0,0|0,0,2]=4 19348 B13R0.336 C#CCCCCCCOCCCSC 34a_100000690336_100012276617 [0,2,0,0,0,0|1,0,1]=4 19349 B13R0.336 C#CCCCCCCOCCCSC 7a_100000690336_100012276617 [0,2,0,0,0,0|1,0,1]=4 19350 B13R0.336 C#CCCCCCCOCCOCC 34a_100000210136_100012276617 [0,2,0,0,0,0|1,0,1]=4 19351 B13R0.336 C#CCCCCCCOCCOCC 34a_100011217361_100000210147 [0,2,0,0,0,0|1,0,1]=4 19352 B13R0.336 C#CCCCCCCOCCOCC 7a_100000210136_100012276617 [0,2,0,0,0,0|1,0,1]=4 19353 B13R0.336 C#CCCCCCCOCCOCC 7a_100011217361_100011215890 [0,2,0,0,0,0|1,0,1]=4 19354 B13R0.336 C#CCCCCCCOCCSCC 34a_100000212035_100012276617 [0,2,0,0,0,0|1,0,1]=4 19355 B13R0.336 C#CCCCCCCOCCSCC 34a_100011217361_100000757381 [0,2,0,0,0,0|1,0,1]=4 19356 B13R0.336 C#CCCCCCCOCCSCC 7a_100000212035_100012276617 [0,2,0,0,0,0|1,0,1]=4 19357 B13R0.336 C#CCCCCCCOCCSCC 7a_100011217361_100000757381 [0,2,0,0,0,0|1,0,1]=4 19358 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [0,2,0,0,0,0|1,0,0]=3 19359 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [0,2,0,0,0,0|1,0,0]=3 19360 B13R0.336 C#CCCCCCCSCCCCF 62a_100000729493_100012276617 [0,2,0,0,0,0|1,0,1]=4 19361 B13R0.336 C#CCCCCCCSCCCCF 62a_100012276617_100000729493 [0,2,0,0,0,0|1,0,1]=4 19362 B13R0.336 C#CCCCCCCSCCCCO 62a_100000210776_100012276617 [0,2,0,0,0,0|0,0,1]=3 19363 B13R0.336 C#CCCCCCCSCCCCO 62a_100012276617_100000210776 [0,2,0,0,0,0|0,0,1]=3 19364 B13R0.336 C#CCCCCCCSCCCOC 62a_100000709357_100012276617 [0,2,0,0,0,0|0,0,2]=4 19365 B13R0.336 C#CCCCCCCSCCCOC 62a_100012276617_100000709357 [0,2,0,0,0,0|0,0,2]=4 19366 B13R0.336 C#CCCCCCCSCCOCC 62a_100000210147_100012276617 [0,2,0,0,0,0|1,0,1]=4 19367 B13R0.336 C#CCCCCCCSCCOCC 62a_100012276617_100011215890 [0,2,0,0,0,0|1,0,1]=4 19368 B13R0.336 C#CCCCCCCSCCSCC 62a_100000757381_100012276617 [0,2,0,0,0,0|1,0,1]=4 19369 B13R0.336 C#CCCCCCCSCCSCC 62a_100012276617_100000757381 [0,2,0,0,0,0|1,0,1]=4 19370 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [0,2,0,0,0,0|1,0,0]=3 19371 B13R0.336 C#CCCCCCNCCCCCO 2230a_100000762737_100012094781 [0,2,0,0,0,0|0,0,1]=3 19372 B13R0.336 C#CCCCCCNCCCCCO 34a_100000762737_100012094781 [0,2,0,0,0,0|0,0,1]=3 19373 B13R0.336 C#CCCCCCNCCCOCC 2230a_100000210961_100012094781 [0,2,0,0,0,0|1,0,1]=4 19374 B13R0.336 C#CCCCCCNCCCOCC 34a_100000210961_100012094781 [0,2,0,0,0,0|1,0,1]=4 19375 B13R0.336 C#CCCCCCNCCOCCC 2230a_100161115042_100012094781 [0,2,0,0,0,0|1,0,1]=4 19376 B13R0.336 C#CCCCCCNCCOCCC 34a_100161115042_100012094781 [0,2,0,0,0,0|1,0,1]=4 19377 B13R0.336 C#CCCCCCNCCOCCO 2230a_100000211614_100012094781 [0,2,0,0,0,0|0,0,2]=4 19378 B13R0.336 C#CCCCCCNCCOCCO 34a_100000211614_100012094781 [0,2,0,0,0,0|0,0,2]=4 19379 B13R0.336 C#CCCCCCNCCSCCC 2230a_100020603323_100012094781 [0,2,0,0,0,0|1,0,1]=4 19380 B13R0.336 C#CCCCCCNCCSCCO 2230a_100011219999_100012094781 [0,2,0,0,0,0|0,0,2]=4 19381 B13R0.336 C#CCCCCCOCCCCCBr 34a_100000746331_100012094781 [0,2,0,0,0,0|1,0,1]=4 19382 B13R0.336 C#CCCCCCOCCCCCBr 7a_100000746331_100012094781 [0,2,0,0,0,0|1,0,1]=4 19383 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [0,2,0,0,0,0|1,0,0]=3 19384 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [0,2,0,0,0,0|1,0,0]=3 19385 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [0,2,0,0,0,0|1,0,0]=3 19386 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [0,2,0,0,0,0|1,0,0]=3 19387 B13R0.336 C#CCCCCCOCCCCCCl 34a_100000746330_100012094781 [0,2,0,0,0,0|1,0,1]=4 19388 B13R0.336 C#CCCCCCOCCCCCCl 7a_100000746330_100012094781 [0,2,0,0,0,0|1,0,1]=4 19389 B13R0.336 C#CCCCCCOCCCCCF 34a_100000766912_100000729378 [0,2,0,0,0,0|1,0,1]=4 19390 B13R0.336 C#CCCCCCOCCCCCF 7a_100000766912_100000729378 [0,2,0,0,0,0|1,0,1]=4 19391 B13R0.336 C#CCCCCCOCCCCCI 34a_200012148887_100012094781 [0,2,0,0,0,0|1,0,1]=4 19392 B13R0.336 C#CCCCCCOCCCCCI 7a_200012148887_100012094781 [0,2,0,0,0,0|1,0,1]=4 19393 B13R0.336 C#CCCCCCOCCCCCN 34a_100000762737_100012094781 [0,2,0,0,0,0|1,0,1]=4 19394 B13R0.336 C#CCCCCCOCCCCCO 34a_100000766912_100000746330 [0,2,0,0,0,0|0,0,1]=3 19395 B13R0.336 C#CCCCCCOCCCCCO 7a_100000766912_100000746330 [0,2,0,0,0,0|0,0,1]=3 19396 B13R0.336 C#CCCCCCOCCCCOC 34a_100000740925_100012094781 [0,2,0,0,0,0|0,0,2]=4 19397 B13R0.336 C#CCCCCCOCCCCOC 34a_100000766912_100000755781 [0,2,0,0,0,0|0,0,2]=4 19398 B13R0.336 C#CCCCCCOCCCCOC 7a_100000766912_100000730899 [0,2,0,0,0,0|0,0,2]=4 19399 B13R0.336 C#CCCCCCOCCCCSC 34a_100011217163_100012094781 [0,2,0,0,0,0|1,0,1]=4 19400 B13R0.336 C#CCCCCCOCCCCSC 7a_100011217163_100012094781 [0,2,0,0,0,0|1,0,1]=4 19401 B13R0.336 C#CCCCCCOCCCOCC 34a_100000757476_100012094781 [0,2,0,0,0,0|1,0,1]=4 19402 B13R0.336 C#CCCCCCOCCCOCC 34a_100000766912_100012232248 [0,2,0,0,0,0|1,0,1]=4 19403 B13R0.336 C#CCCCCCOCCCOCC 7a_100000757476_100012094781 [0,2,0,0,0,0|1,0,1]=4 19404 B13R0.336 C#CCCCCCOCCCOCC 7a_100000766912_100012232248 [0,2,0,0,0,0|1,0,1]=4 19405 B13R0.336 C#CCCCCCOCCCSCC 34a_100011216438_100012094781 [0,2,0,0,0,0|1,0,1]=4 19406 B13R0.336 C#CCCCCCOCCCSCC 7a_100011216438_100012094781 [0,2,0,0,0,0|1,0,1]=4 19407 B13R0.336 C#CCCCCCOCCOCCC 34a_100000752267_100012094781 [0,2,0,0,0,0|1,0,1]=4 19408 B13R0.336 C#CCCCCCOCCOCCC 34a_100000766912_100011215938 [0,2,0,0,0,0|1,0,1]=4 19409 B13R0.336 C#CCCCCCOCCOCCC 7a_100000752267_100012094781 [0,2,0,0,0,0|1,0,1]=4 19410 B13R0.336 C#CCCCCCOCCOCCC 7a_100000766912_100011215938 [0,2,0,0,0,0|1,0,1]=4 19411 B13R0.336 C#CCCCCCOCCOCCO 34a_100000766912_100000692535 [0,2,0,0,0,0|0,0,2]=4 19412 B13R0.336 C#CCCCCCOCCOCCO 7a_100000766912_100011215305 [0,2,0,0,0,0|0,0,2]=4 19413 B13R0.336 C#CCCCCCOCCSCCC 34a_200000230433_100012094781 [0,2,0,0,0,0|1,0,1]=4 19414 B13R0.336 C#CCCCCCOCCSCCC 7a_200000230433_100012094781 [0,2,0,0,0,0|1,0,1]=4 19415 B13R0.336 C#CCCCCCOCOCCCC 34a_100000766912_100011995733 [0,2,0,0,0,0|1,0,1]=4 19416 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [0,2,0,0,0,0|1,0,0]=3 19417 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [0,2,0,0,0,0|1,0,0]=3 19418 B13R0.336 C#CCCCCCSCCCCCF 62a_100000729378_100012094781 [0,2,0,0,0,0|1,0,1]=4 19419 B13R0.336 C#CCCCCCSCCCCCF 62a_100012094781_100000729378 [0,2,0,0,0,0|1,0,1]=4 19420 B13R0.336 C#CCCCCCSCCCCCO 62a_100000746330_100012094781 [0,2,0,0,0,0|0,0,1]=3 19421 B13R0.336 C#CCCCCCSCCCCCO 62a_100012094781_100000746330 [0,2,0,0,0,0|0,0,1]=3 19422 B13R0.336 C#CCCCCCSCCCCOC 62a_100000730899_100012094781 [0,2,0,0,0,0|0,0,2]=4 19423 B13R0.336 C#CCCCCCSCCCCOC 62a_100012094781_100000730899 [0,2,0,0,0,0|0,0,2]=4 19424 B13R0.336 C#CCCCCCSCCCOCC 62a_100012094781_100012232248 [0,2,0,0,0,0|1,0,1]=4 19425 B13R0.336 C#CCCCCCSCCCOCC 62a_100012232248_100012094781 [0,2,0,0,0,0|1,0,1]=4 19426 B13R0.336 C#CCCCCCSCCOCCC 62a_100011215938_100012094781 [0,2,0,0,0,0|1,0,1]=4 19427 B13R0.336 C#CCCCCCSCCOCCC 62a_100012094781_100011215938 [0,2,0,0,0,0|1,0,1]=4 19428 B13R0.336 C#CCCCCCSCCOCCO 62a_100011215305_100012094781 [0,2,0,0,0,0|0,0,2]=4 19429 B13R0.336 C#CCCCCCSCCOCCO 62a_100012094781_100011215305 [0,2,0,0,0,0|0,0,2]=4 19430 B13R0.336 C#CCCCCCSCOCCCC 62a_100011995733_100012094781 [0,2,0,0,0,0|1,0,1]=4 19431 B13R0.336 C#CCCCCCSCOCCCC 62a_100012094781_100011995733 [0,2,0,0,0,0|1,0,1]=4 19432 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [0,2,0,0,0,0|1,0,0]=3 19433 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [0,2,0,0,0,0|1,0,0]=3 19434 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [0,2,0,0,0,0|1,0,0]=3 19435 B13R0.336 C#CCCCCNCCCCCCF 2230a_100000706060_100015922095 [0,2,0,0,0,0|1,0,1]=4 19436 B13R0.336 C#CCCCCNCCCCCCF 34a_100000706060_100015922095 [0,2,0,0,0,0|1,0,1]=4 19437 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000686447_100010269958 [0,2,0,0,0,0|0,0,1]=3 19438 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000706060_100000766143 [0,2,0,0,0,0|0,0,1]=3 19439 B13R0.336 C#CCCCCNCCCCCCO 34a_100000686447_100010269958 [0,2,0,0,0,0|0,0,1]=3 19440 B13R0.336 C#CCCCCNCCCCCCO 34a_100000706060_100000766143 [0,2,0,0,0,0|0,0,1]=3 19441 B13R0.336 C#CCCCCNCCCCCOC 2230a_100000747528_100010269958 [0,2,0,0,0,0|0,0,2]=4 19442 B13R0.336 C#CCCCCNCCCCCOC 34a_100000747528_100010269958 [0,2,0,0,0,0|0,0,2]=4 19443 B13R0.336 C#CCCCCNCCCOCCC 2230a_100011217757_100010269958 [0,2,0,0,0,0|1,0,1]=4 19444 B13R0.336 C#CCCCCNCCCOCCC 34a_100011217757_100010269958 [0,2,0,0,0,0|1,0,1]=4 19445 B13R0.336 C#CCCCCNCCOCCCC 2230a_100000706060_100000743108 [0,2,0,0,0,0|1,0,1]=4 19446 B13R0.336 C#CCCCCNCCOCCCC 34a_100000706060_100000743108 [0,2,0,0,0,0|1,0,1]=4 19447 B13R0.336 C#CCCCCNCCSCCCC 2230a_100025743550_100010269958 [0,2,0,0,0,0|1,0,1]=4 19448 B13R0.336 C#CCCCCOCCCCCCBr 34a_100011215345_100010269958 [0,2,0,0,0,0|1,0,1]=4 19449 B13R0.336 C#CCCCCOCCCCCCBr 7a_100011215345_100010269958 [0,2,0,0,0,0|1,0,1]=4 19450 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [0,2,0,0,0,0|1,0,0]=3 19451 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [0,2,0,0,0,0|1,0,0]=3 19452 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [0,2,0,0,0,0|1,0,0]=3 19453 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [0,2,0,0,0,0|1,0,0]=3 19454 B13R0.336 C#CCCCCOCCCCCCCl 34a_100000766143_100010269958 [0,2,0,0,0,0|1,0,1]=4 19455 B13R0.336 C#CCCCCOCCCCCCCl 7a_100000766143_100010269958 [0,2,0,0,0,0|1,0,1]=4 19456 B13R0.336 C#CCCCCOCCCCCCF 34a_100000732779_100010269958 [0,2,0,0,0,0|1,0,1]=4 19457 B13R0.336 C#CCCCCOCCCCCCF 34a_100000766709_100015922095 [0,2,0,0,0,0|1,0,1]=4 19458 B13R0.336 C#CCCCCOCCCCCCF 7a_100000732779_100010269958 [0,2,0,0,0,0|1,0,1]=4 19459 B13R0.336 C#CCCCCOCCCCCCF 7a_100000766709_100015922095 [0,2,0,0,0,0|1,0,1]=4 19460 B13R0.336 C#CCCCCOCCCCCCN 34a_100000686447_100010269958 [0,2,0,0,0,0|1,0,1]=4 19461 B13R0.336 C#CCCCCOCCCCCCO 34a_100000766709_100000766143 [0,2,0,0,0,0|0,0,1]=3 19462 B13R0.336 C#CCCCCOCCCCCCO 7a_100000766709_100000766143 [0,2,0,0,0,0|0,0,1]=3 19463 B13R0.336 C#CCCCCOCCCCCNC 34a_100000722520_100010269958 [0,2,0,0,0,0|1,0,1]=4 19464 B13R0.336 C#CCCCCOCCOCCCC 34a_100000210238_100010269958 [0,2,0,0,0,0|1,0,1]=4 19465 B13R0.336 C#CCCCCOCCOCCCC 34a_100000766709_100000743108 [0,2,0,0,0,0|1,0,1]=4 19466 B13R0.336 C#CCCCCOCCOCCCC 7a_100000210238_100010269958 [0,2,0,0,0,0|1,0,1]=4 19467 B13R0.336 C#CCCCCOCCOCCCC 7a_100000766709_100000743108 [0,2,0,0,0,0|1,0,1]=4 19468 B13R0.336 C#CCCCCOCCSCCCC 34a_200000230436_100010269958 [0,2,0,0,0,0|1,0,1]=4 19469 B13R0.336 C#CCCCCOCCSCCCC 7a_200000230436_100010269958 [0,2,0,0,0,0|1,0,1]=4 19470 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [0,2,0,0,0,0|1,0,0]=3 19471 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [0,2,0,0,0,0|1,0,0]=3 19472 B13R0.336 C#CCCCCSCCCCCCF 62a_100010269958_100015922095 [0,2,0,0,0,0|1,0,1]=4 19473 B13R0.336 C#CCCCCSCCCCCCF 62a_100015922095_100010269958 [0,2,0,0,0,0|1,0,1]=4 19474 B13R0.336 C#CCCCCSCCCCCCO 62a_100000766143_100010269958 [0,2,0,0,0,0|0,0,1]=3 19475 B13R0.336 C#CCCCCSCCCCCCO 62a_100010269958_100000766143 [0,2,0,0,0,0|0,0,1]=3 19476 B13R0.336 C#CCCCCSCCOCCCC 62a_100000743108_100010269958 [0,2,0,0,0,0|1,0,1]=4 19477 B13R0.336 C#CCCCCSCCOCCCC 62a_100010269958_100000743108 [0,2,0,0,0,0|1,0,1]=4 19478 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [0,2,0,0,0,0|1,0,0]=3 19479 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [0,2,0,0,0,0|1,0,0]=3 19480 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [0,2,0,0,0,0|1,0,0]=3 19481 B13R0.336 C#CCCCNCCCCCCCO 2230a_100011996573_100000731252 [0,2,0,0,0,0|0,0,1]=3 19482 B13R0.336 C#CCCCNCCCCCCCO 34a_100000718082_100000760002 [0,2,0,0,0,0|0,0,1]=3 19483 B13R0.336 C#CCCCNCCCCCCCO 34a_100011996573_100000695029 [0,2,0,0,0,0|0,0,1]=3 19484 B13R0.336 C#CCCCNCCCCCCOC 34a_100000718082_100011998445 [0,2,0,0,0,0|0,0,2]=4 19485 B13R0.336 C#CCCCNCCCOCCCC 2230a_200000211371_100000731252 [0,2,0,0,0,0|1,0,1]=4 19486 B13R0.336 C#CCCCNCCCOCCCC 34a_200000211371_100000695029 [0,2,0,0,0,0|1,0,1]=4 19487 B13R0.336 C#CCCCNCCCOCCCO 2230a_100011310245_100000731252 [0,2,0,0,0,0|0,0,2]=4 19488 B13R0.336 C#CCCCNCCCOCCCO 34a_100011310245_100000695029 [0,2,0,0,0,0|0,0,2]=4 19489 B13R0.336 C#CCCCOCCCCCCCBr 34a_100000760002_100000695029 [0,2,0,0,0,0|1,0,1]=4 19490 B13R0.336 C#CCCCOCCCCCCCBr 7a_100000760002_100011215417 [0,2,0,0,0,0|1,0,1]=4 19491 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [0,2,0,0,0,0|1,0,0]=3 19492 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [0,2,0,0,0,0|1,0,0]=3 19493 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [0,2,0,0,0,0|1,0,0]=3 19494 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [0,2,0,0,0,0|1,0,0]=3 19495 B13R0.336 C#CCCCOCCCCCCCN 34a_100011996573_100000695029 [0,2,0,0,0,0|1,0,1]=4 19496 B13R0.336 C#CCCCOCCCCCCCO 34a_100000215630_100000760002 [0,2,0,0,0,0|0,0,1]=3 19497 B13R0.336 C#CCCCOCCCCCCCO 7a_100000215630_100000760002 [0,2,0,0,0,0|0,0,1]=3 19498 B13R0.336 C#CCCCOCCCCCCOC 34a_100000215630_100011998445 [0,2,0,0,0,0|0,0,2]=4 19499 B13R0.336 C#CCCCOCCCCCCOC 34a_200012092642_100000695029 [0,2,0,0,0,0|0,0,2]=4 19500 B13R0.336 C#CCCCOCCCCCCOC 7a_100000215630_100011998445 [0,2,0,0,0,0|0,0,2]=4 19501 B13R0.336 C#CCCCOCCCCCCOC 7a_200012092642_100011215417 [0,2,0,0,0,0|0,0,2]=4 19502 B13R0.336 C#CCCCOCCCOCCCC 34a_200011215613_100000695029 [0,2,0,0,0,0|1,0,1]=4 19503 B13R0.336 C#CCCCOCCCOCCCC 7a_200011215613_100011215417 [0,2,0,0,0,0|1,0,1]=4 19504 B13R0.336 C#CCCCOCCNCCCCC 34a_100000224656_100000695029 [0,2,0,0,0,0|1,0,1]=4 19505 B13R0.336 C#CCCCOCCOCCCCC 34a_100011215259_100000695029 [0,2,0,0,0,0|1,0,1]=4 19506 B13R0.336 C#CCCCOCCOCCCCC 7a_100011215259_100011215417 [0,2,0,0,0,0|1,0,1]=4 19507 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [0,2,0,0,0,0|1,0,0]=3 19508 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [0,2,0,0,0,0|1,0,0]=3 19509 B13R0.336 C#CCCCSCCCCCCCO 62a_100000760002_100011215417 [0,2,0,0,0,0|0,0,1]=3 19510 B13R0.336 C#CCCCSCCCCCCCO 62a_100011215417_100000760002 [0,2,0,0,0,0|0,0,1]=3 19511 B13R0.336 C#CCCCSCCCCCCOC 62a_100011215417_100011998445 [0,2,0,0,0,0|0,0,2]=4 19512 B13R0.336 C#CCCCSCCCCCCOC 62a_100011998445_100011215417 [0,2,0,0,0,0|0,0,2]=4 19513 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [0,2,0,0,0,0|1,0,0]=3 19514 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [0,2,0,0,0,0|1,0,0]=3 19515 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [0,2,0,0,0,0|1,0,0]=3 19516 B13R0.336 C#CCCNCCCCCCCCO 2230a_102515433106_100000688953 [0,2,0,0,0,0|0,0,1]=3 19517 B13R0.336 C#CCCNCCCCCCCCO 34a_100000755551_100000033203 [0,2,0,0,0,0|0,0,1]=3 19518 B13R0.336 C#CCCNCCCCCCCCO 34a_102515433106_100000688953 [0,2,0,0,0,0|0,0,1]=3 19519 B13R0.336 C#CCCOCCCCCCCCBr 34a_100009813846_100000688953 [0,2,0,0,0,0|1,0,1]=4 19520 B13R0.336 C#CCCOCCCCCCCCBr 7a_100009813846_100000688953 [0,2,0,0,0,0|1,0,1]=4 19521 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [0,2,0,0,0,0|1,0,0]=3 19522 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [0,2,0,0,0,0|1,0,0]=3 19523 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [0,2,0,0,0,0|1,0,0]=3 19524 B13R0.336 C#CCCOCCCCCCCCCl 34a_100000033203_100000688953 [0,2,0,0,0,0|1,0,1]=4 19525 B13R0.336 C#CCCOCCCCCCCCCl 7a_100000033203_100000688953 [0,2,0,0,0,0|1,0,1]=4 19526 B13R0.336 C#CCCOCCCCCCCCN 34a_102515433106_100000688953 [0,2,0,0,0,0|1,0,1]=4 19527 B13R0.336 C#CCCOCCCCCCCCO 34a_100011215631_100000033203 [0,2,0,0,0,0|0,0,1]=3 19528 B13R0.336 C#CCCOCCCCNCCCC 34a_200011216965_100000688953 [0,2,0,0,0,0|1,0,1]=4 19529 B13R0.336 C#CCCOCCCCOCCCC 34a_200000760531_100000688953 [0,2,0,0,0,0|1,0,1]=4 19530 B13R0.336 C#CCCOCCCCOCCCC 7a_200000760531_100000688953 [0,2,0,0,0,0|1,0,1]=4 19531 B13R0.336 C#CCCOCCOCCCCCC 34a_100000691444_100000688953 [0,2,0,0,0,0|1,0,1]=4 19532 B13R0.336 C#CCCOCCOCCCCCC 7a_100000691444_100000688953 [0,2,0,0,0,0|1,0,1]=4 19533 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [0,2,0,0,0,0|1,0,0]=3 19534 B13R0.336 C#CCCSCCCCCCCCO 62a_100000033203_100000688953 [0,2,0,0,0,0|0,0,1]=3 19535 B13R0.336 C#CCCSCCCCCCCCO 62a_100000688953_100000033203 [0,2,0,0,0,0|0,0,1]=3 19536 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [0,2,0,0,0,0|1,0,0]=3 19537 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [0,2,0,0,0,0|1,0,0]=3 19538 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [0,2,0,0,0,0|1,0,0]=3 19539 B13R0.336 C#CCNCCCCCCCCCO 2230a_100000078944_100000038162 [0,2,0,0,0,0|0,0,1]=3 19540 B13R0.336 C#CCNCCCCCCCCCO 34a_100000078944_100000184674 [0,2,0,0,0,0|0,0,1]=3 19541 B13R0.336 C#CCNCCCCCCCCCO 34a_100000212058_100009813782 [0,2,0,0,0,0|0,0,1]=3 19542 B13R0.336 C#CCOCCCCCCCCCBr 34a_100009813782_100000184674 [0,2,0,0,0,0|1,0,1]=4 19543 B13R0.336 C#CCOCCCCCCCCCBr 7a_100009813782_100000038162 [0,2,0,0,0,0|1,0,1]=4 19544 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [0,2,0,0,0,0|1,0,0]=3 19545 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [0,2,0,0,0,0|1,0,0]=3 19546 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [0,2,0,0,0,0|1,0,0]=3 19547 B13R0.336 C#CCOCCCCCCCCCCl 34a_100009868337_100000184674 [0,2,0,0,0,0|1,0,1]=4 19548 B13R0.336 C#CCOCCCCCCCCCCl 7a_100009868337_100000038162 [0,2,0,0,0,0|1,0,1]=4 19549 B13R0.336 C#CCOCCCCCCCCCN 34a_100000078944_100000184674 [0,2,0,0,0,0|1,0,1]=4 19550 B13R0.336 C#CCOCCCCCCCCCO 34a_100000210247_100009813782 [0,2,0,0,0,0|0,0,1]=3 19551 B13R0.336 C#CCOCCCCCCOCCC 34a_200011021349_100000210303 [0,2,0,0,0,0|1,0,1]=4 19552 B13R0.336 C#CCOCCCCCCOCCC 7a_200011021349_100000210303 [0,2,0,0,0,0|1,0,1]=4 19553 B13R0.336 C#CCOCCCCCCOCCO 34a_200011021349_100000211926 [0,2,0,0,0,0|0,0,2]=4 19554 B13R0.336 C#CCOCCCCCCOCCO 7a_200011021349_100000211926 [0,2,0,0,0,0|0,0,2]=4 19555 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000229938_100010402529 [0,2,0,0,0,0|1,0,1]=4 19556 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000700922_100000210681 [0,2,0,0,0,0|1,0,1]=4 19557 B13R0.336 C#CCOCCNCCCCCCC 34a_100000700922_100000210614 [0,2,0,0,0,0|1,0,1]=4 19558 B13R0.336 C#CCOCCNCCCCCCO 2230a_100000686447_100010402529 [0,2,0,0,0,0|0,0,2]=4 19559 B13R0.336 C#CCOCCNCCCCCCO 2230a_100000700922_100000766143 [0,2,0,0,0,0|0,0,2]=4 19560 B13R0.336 C#CCOCCNCCCCCCO 34a_100000686447_100010402529 [0,2,0,0,0,0|0,0,2]=4 19561 B13R0.336 C#CCOCCNCCCCCCO 34a_100000700922_100000766143 [0,2,0,0,0,0|0,0,2]=4 19562 B13R0.336 C#CCOCCOCCCCCCC 34a_100000054580_100000210614 [0,2,0,0,0,0|1,0,1]=4 19563 B13R0.336 C#CCOCCOCCCCCCC 34a_100000210272_100010402529 [0,2,0,0,0,0|1,0,1]=4 19564 B13R0.336 C#CCOCCOCCCCCCC 7a_100000054580_100000210614 [0,2,0,0,0,0|1,0,1]=4 19565 B13R0.336 C#CCOCCOCCCCCCC 7a_100000210272_100010402529 [0,2,0,0,0,0|1,0,1]=4 19566 B13R0.336 C#CCOCCOCCCCCCO 34a_100000054580_100000766143 [0,2,0,0,0,0|0,0,2]=4 19567 B13R0.336 C#CCOCCOCCCCCCO 7a_100000054580_100000766143 [0,2,0,0,0,0|0,0,2]=4 19568 B13R0.336 C#CCOCCSCCCCCCC 62a_100000210614_100010402529 [0,2,0,0,0,0|1,0,1]=4 19569 B13R0.336 C#CCOCCSCCCCCCC 62a_100010402529_100000210316 [0,2,0,0,0,0|1,0,1]=4 19570 B13R0.336 C#CCOCCSCCCCCCO 62a_100000766143_100010402529 [0,2,0,0,0,0|0,0,2]=4 19571 B13R0.336 C#CCOCCSCCCCCCO 62a_100010402529_100000766143 [0,2,0,0,0,0|0,0,2]=4 19572 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [0,2,0,0,0,0|1,0,0]=3 19573 B13R0.336 C#CCSCCCCCCCCCO 62a_100000038162_100009813782 [0,2,0,0,0,0|0,0,1]=3 19574 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [0,2,0,0,0,0|1,0,1]=4 19575 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [0,2,0,0,0,0|0,0,1]=3 19576 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,2,0,0,0,0|0,0,2]=4 19577 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [0,2,0,0,0,0|1,0,1]=4 19578 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [0,2,0,0,0,0|0,0,1]=3 19579 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [0,2,0,0,0,0|1,0,1]=4 19580 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [0,2,0,0,0,0|1,0,1]=4 19581 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [0,2,0,0,0,0|1,0,1]=4 19582 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [0,2,0,0,0,0|1,0,1]=4 19583 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [0,2,0,0,0,0|1,0,1]=4 19584 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [0,2,0,0,0,0|1,0,1]=4 19585 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [0,2,0,0,0,0|1,0,1]=4 19586 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [0,2,0,0,0,0|1,0,1]=4 19587 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [0,2,0,0,0,0|0,0,1]=3 19588 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [0,2,0,0,0,0|1,0,1]=4 19589 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [0,2,0,0,0,0|0,0,1]=3 19590 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [0,2,0,0,0,0|0,0,1]=3 19591 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [0,2,0,0,0,0|1,0,0]=3 19592 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [0,2,0,0,0,0|1,0,0]=3 19593 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [0,2,0,0,0,0|1,0,0]=3 19594 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [0,2,0,0,0,0|0,0,1]=3 19595 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [0,2,0,0,0,0|1,0,0]=3 19596 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [0,2,0,0,0,0|1,0,0]=3 19597 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [0,2,0,0,0,0|1,0,0]=3 19598 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [0,2,0,0,0,0|1,0,0]=3 19599 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [0,2,0,0,0,0|1,0,0]=3 19600 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [0,2,0,0,0,0|1,0,0]=3 19601 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [0,2,0,0,0,0|1,0,0]=3 19602 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [0,2,0,0,0,0|1,0,1]=4 19603 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [0,2,0,0,0,0|1,0,0]=3 19604 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [0,2,0,0,0,0|1,0,0]=3 19605 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [0,2,0,0,0,0|1,0,0]=3 19606 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [0,2,0,0,0,0|0,0,2]=4 19607 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [0,2,0,0,0,0|0,0,2]=4 19608 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [0,2,0,0,0,0|1,0,0]=3 19609 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [0,2,0,0,0,0|1,0,0]=3 19610 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [0,2,0,0,0,0|1,0,1]=4 19611 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [0,2,0,0,0,0|1,0,1]=4 19612 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [0,2,0,0,0,0|1,0,1]=4 19613 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,2,0,0,0,0|0,0,1]=3 19614 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,2,0,0,0,0|0,0,1]=3 19615 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [0,2,0,0,0,0|1,0,1]=4 19616 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [0,2,0,0,0,0|1,0,0]=3 19617 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [0,2,0,0,0,0|1,0,0]=3 19618 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [0,2,0,0,0,0|1,0,0]=3 19619 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [0,2,0,0,0,0|1,0,1]=4 19620 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [0,2,0,0,0,0|1,0,1]=4 19621 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [0,2,0,0,0,0|1,0,1]=4 19622 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,2,0,0,0,0|0,0,1]=3 19623 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,2,0,0,0,0|0,0,1]=3 19624 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [0,2,0,0,0,0|1,0,1]=4 19625 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [0,2,0,0,0,0|1,0,0]=3 19626 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [0,2,0,0,0,0|1,0,0]=3 19627 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [0,2,0,0,0,0|1,0,1]=4 19628 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [0,2,0,0,0,0|1,0,1]=4 19629 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,2,0,0,0,0|0,0,1]=3 19630 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,2,0,0,0,0|0,0,1]=3 19631 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [0,2,0,0,0,0|0,0,2]=4 19632 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [0,2,0,0,0,0|0,0,2]=4 19633 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [0,2,0,0,0,0|1,0,1]=4 19634 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [0,2,0,0,0,0|1,0,1]=4 19635 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [0,2,0,0,0,0|1,0,0]=3 19636 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [0,2,0,0,0,0|1,0,0]=3 19637 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [0,2,0,0,0,0|1,0,1]=4 19638 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [0,2,0,0,0,0|1,0,1]=4 19639 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [0,2,0,0,0,0|0,0,2]=4 19640 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [0,2,0,0,0,0|1,0,1]=4 19641 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [0,2,0,0,0,0|1,0,1]=4 19642 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [0,2,0,0,0,0|1,0,0]=3 19643 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [0,2,0,0,0,0|1,0,0]=3 19644 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [0,2,0,0,0,0|1,0,0]=3 19645 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [0,2,0,0,0,0|1,0,0]=3 19646 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [0,2,0,0,0,0|1,0,1]=4 19647 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [0,2,0,0,0,0|1,0,1]=4 19648 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [0,2,0,0,0,0|1,0,1]=4 19649 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [0,2,0,0,0,0|1,0,1]=4 19650 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [0,2,0,0,0,0|1,0,1]=4 19651 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [0,2,0,0,0,0|0,0,1]=3 19652 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [0,2,0,0,0,0|0,0,1]=3 19653 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,2,0,0,0,0|0,0,2]=4 19654 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,2,0,0,0,0|0,0,2]=4 19655 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,2,0,0,0,0|0,0,2]=4 19656 B13R0.336 C=CCCCCCCCOCCON 34a_100000700252_100012355270 [0,2,0,0,0,0|0,0,2]=4 19657 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [0,2,0,0,0,0|1,0,1]=4 19658 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [0,2,0,0,0,0|1,0,1]=4 19659 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [0,2,0,0,0,0|1,0,1]=4 19660 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [0,2,0,0,0,0|1,0,1]=4 19661 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [0,2,0,0,0,0|1,0,0]=3 19662 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [0,2,0,0,0,0|1,0,0]=3 19663 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [0,2,0,0,0,0|1,0,1]=4 19664 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [0,2,0,0,0,0|1,0,1]=4 19665 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [0,2,0,0,0,0|0,0,1]=3 19666 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [0,2,0,0,0,0|0,0,1]=3 19667 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [0,2,0,0,0,0|0,0,2]=4 19668 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [0,2,0,0,0,0|0,0,2]=4 19669 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [0,2,0,0,0,0|1,0,1]=4 19670 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [0,2,0,0,0,0|1,0,1]=4 19671 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [0,2,0,0,0,0|1,0,1]=4 19672 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [0,2,0,0,0,0|1,0,1]=4 19673 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [0,2,0,0,0,0|1,0,0]=3 19674 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [0,2,0,0,0,0|0,0,1]=3 19675 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [0,2,0,0,0,0|0,0,1]=3 19676 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [0,2,0,0,0,0|0,0,2]=4 19677 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [0,2,0,0,0,0|1,0,1]=4 19678 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [0,2,0,0,0,0|1,0,1]=4 19679 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [0,2,0,0,0,0|1,0,1]=4 19680 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [0,2,0,0,0,0|1,0,1]=4 19681 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [0,2,0,0,0,0|1,0,1]=4 19682 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [0,2,0,0,0,0|1,0,0]=3 19683 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [0,2,0,0,0,0|1,0,0]=3 19684 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [0,2,0,0,0,0|1,0,0]=3 19685 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [0,2,0,0,0,0|1,0,0]=3 19686 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [0,2,0,0,0,0|1,0,1]=4 19687 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [0,2,0,0,0,0|1,0,1]=4 19688 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [0,2,0,0,0,0|1,0,1]=4 19689 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [0,2,0,0,0,0|1,0,1]=4 19690 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [0,2,0,0,0,0|1,0,1]=4 19691 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [0,2,0,0,0,0|1,0,1]=4 19692 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [0,2,0,0,0,0|1,0,1]=4 19693 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [0,2,0,0,0,0|1,0,1]=4 19694 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [0,2,0,0,0,0|0,0,1]=3 19695 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [0,2,0,0,0,0|0,0,1]=3 19696 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [0,2,0,0,0,0|1,0,1]=4 19697 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [0,2,0,0,0,0|0,0,2]=4 19698 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [0,2,0,0,0,0|0,0,2]=4 19699 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [0,2,0,0,0,0|0,0,2]=4 19700 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [0,2,0,0,0,0|1,0,1]=4 19701 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [0,2,0,0,0,0|1,0,1]=4 19702 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [0,2,0,0,0,0|1,0,1]=4 19703 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [0,2,0,0,0,0|1,0,1]=4 19704 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [0,2,0,0,0,0|1,0,1]=4 19705 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [0,2,0,0,0,0|1,0,1]=4 19706 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [0,2,0,0,0,0|1,0,1]=4 19707 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [0,2,0,0,0,0|1,0,1]=4 19708 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [0,2,0,0,0,0|1,0,1]=4 19709 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [0,2,0,0,0,0|1,0,1]=4 19710 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [0,2,0,0,0,0|1,0,0]=3 19711 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [0,2,0,0,0,0|1,0,0]=3 19712 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [0,2,0,0,0,0|1,0,1]=4 19713 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [0,2,0,0,0,0|1,0,1]=4 19714 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [0,2,0,0,0,0|0,0,1]=3 19715 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [0,2,0,0,0,0|0,0,1]=3 19716 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [0,2,0,0,0,0|0,0,2]=4 19717 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [0,2,0,0,0,0|0,0,2]=4 19718 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [0,2,0,0,0,0|1,0,1]=4 19719 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [0,2,0,0,0,0|1,0,1]=4 19720 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [0,2,0,0,0,0|1,0,1]=4 19721 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [0,2,0,0,0,0|1,0,1]=4 19722 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [0,2,0,0,0,0|1,0,0]=3 19723 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [0,2,0,0,0,0|0,0,1]=3 19724 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [0,2,0,0,0,0|0,0,1]=3 19725 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [0,2,0,0,0,0|1,0,1]=4 19726 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [0,2,0,0,0,0|1,0,1]=4 19727 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [0,2,0,0,0,0|1,0,1]=4 19728 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [0,2,0,0,0,0|1,0,1]=4 19729 B13R0.336 C=CCCCCCNCCOCCO 2230a_100000211614_100000700193 [0,2,0,0,0,0|0,0,2]=4 19730 B13R0.336 C=CCCCCCNCCOCCO 34a_100000211614_100000700193 [0,2,0,0,0,0|0,0,2]=4 19731 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [0,2,0,0,0,0|1,0,1]=4 19732 B13R0.336 C=CCCCCCNCCSCCO 2230a_100011219999_100000700193 [0,2,0,0,0,0|0,0,2]=4 19733 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [0,2,0,0,0,0|1,0,1]=4 19734 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [0,2,0,0,0,0|1,0,1]=4 19735 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [0,2,0,0,0,0|1,0,0]=3 19736 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [0,2,0,0,0,0|1,0,0]=3 19737 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [0,2,0,0,0,0|1,0,0]=3 19738 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [0,2,0,0,0,0|1,0,0]=3 19739 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [0,2,0,0,0,0|1,0,1]=4 19740 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [0,2,0,0,0,0|1,0,1]=4 19741 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [0,2,0,0,0,0|1,0,1]=4 19742 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [0,2,0,0,0,0|1,0,1]=4 19743 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [0,2,0,0,0,0|1,0,1]=4 19744 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [0,2,0,0,0,0|1,0,1]=4 19745 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [0,2,0,0,0,0|1,0,1]=4 19746 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [0,2,0,0,0,0|0,0,1]=3 19747 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [0,2,0,0,0,0|0,0,1]=3 19748 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [0,2,0,0,0,0|0,0,2]=4 19749 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [0,2,0,0,0,0|0,0,2]=4 19750 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [0,2,0,0,0,0|0,0,2]=4 19751 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [0,2,0,0,0,0|1,0,1]=4 19752 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [0,2,0,0,0,0|1,0,1]=4 19753 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [0,2,0,0,0,0|1,0,1]=4 19754 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [0,2,0,0,0,0|1,0,1]=4 19755 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [0,2,0,0,0,0|1,0,1]=4 19756 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [0,2,0,0,0,0|1,0,1]=4 19757 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [0,2,0,0,0,0|1,0,1]=4 19758 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [0,2,0,0,0,0|1,0,1]=4 19759 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [0,2,0,0,0,0|1,0,1]=4 19760 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [0,2,0,0,0,0|1,0,1]=4 19761 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [0,2,0,0,0,0|1,0,1]=4 19762 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [0,2,0,0,0,0|1,0,1]=4 19763 B13R0.336 C=CCCCCCOCCOCCO 34a_100011216702_100000692535 [0,2,0,0,0,0|0,0,2]=4 19764 B13R0.336 C=CCCCCCOCCOCCO 7a_100011216702_100011215305 [0,2,0,0,0,0|0,0,2]=4 19765 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [0,2,0,0,0,0|1,0,1]=4 19766 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [0,2,0,0,0,0|1,0,1]=4 19767 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [0,2,0,0,0,0|1,0,1]=4 19768 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [0,2,0,0,0,0|1,0,0]=3 19769 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [0,2,0,0,0,0|1,0,0]=3 19770 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [0,2,0,0,0,0|1,0,1]=4 19771 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [0,2,0,0,0,0|1,0,1]=4 19772 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [0,2,0,0,0,0|0,0,1]=3 19773 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [0,2,0,0,0,0|0,0,1]=3 19774 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [0,2,0,0,0,0|0,0,2]=4 19775 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [0,2,0,0,0,0|0,0,2]=4 19776 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [0,2,0,0,0,0|1,0,1]=4 19777 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [0,2,0,0,0,0|1,0,1]=4 19778 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [0,2,0,0,0,0|1,0,1]=4 19779 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [0,2,0,0,0,0|1,0,1]=4 19780 B13R0.336 C=CCCCCCSCCOCCO 62a_100000700193_100011215305 [0,2,0,0,0,0|0,0,2]=4 19781 B13R0.336 C=CCCCCCSCCOCCO 62a_100011215305_100000700193 [0,2,0,0,0,0|0,0,2]=4 19782 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [0,2,0,0,0,0|1,0,1]=4 19783 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [0,2,0,0,0,0|1,0,1]=4 19784 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [0,2,0,0,0,0|1,0,0]=3 19785 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [0,2,0,0,0,0|1,0,0]=3 19786 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [0,2,0,0,0,0|1,0,0]=3 19787 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [0,2,0,0,0,0|1,0,1]=4 19788 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [0,2,0,0,0,0|1,0,1]=4 19789 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [0,2,0,0,0,0|0,0,1]=3 19790 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [0,2,0,0,0,0|0,0,1]=3 19791 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [0,2,0,0,0,0|0,0,1]=3 19792 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [0,2,0,0,0,0|0,0,1]=3 19793 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [0,2,0,0,0,0|0,0,2]=4 19794 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [0,2,0,0,0,0|0,0,2]=4 19795 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [0,2,0,0,0,0|1,0,1]=4 19796 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [0,2,0,0,0,0|1,0,1]=4 19797 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [0,2,0,0,0,0|1,0,1]=4 19798 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [0,2,0,0,0,0|1,0,1]=4 19799 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [0,2,0,0,0,0|1,0,1]=4 19800 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [0,2,0,0,0,0|1,0,1]=4 19801 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [0,2,0,0,0,0|1,0,1]=4 19802 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [0,2,0,0,0,0|1,0,0]=3 19803 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [0,2,0,0,0,0|1,0,0]=3 19804 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [0,2,0,0,0,0|1,0,0]=3 19805 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [0,2,0,0,0,0|1,0,0]=3 19806 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [0,2,0,0,0,0|1,0,1]=4 19807 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [0,2,0,0,0,0|1,0,1]=4 19808 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [0,2,0,0,0,0|1,0,1]=4 19809 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [0,2,0,0,0,0|1,0,1]=4 19810 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [0,2,0,0,0,0|1,0,1]=4 19811 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [0,2,0,0,0,0|1,0,1]=4 19812 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [0,2,0,0,0,0|1,0,1]=4 19813 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [0,2,0,0,0,0|0,0,1]=3 19814 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [0,2,0,0,0,0|0,0,1]=3 19815 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [0,2,0,0,0,0|1,0,1]=4 19816 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,2,0,0,0,0|1,0,1]=4 19817 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,2,0,0,0,0|1,0,1]=4 19818 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,2,0,0,0,0|1,0,1]=4 19819 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,2,0,0,0,0|1,0,1]=4 19820 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [0,2,0,0,0,0|1,0,1]=4 19821 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [0,2,0,0,0,0|1,0,1]=4 19822 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [0,2,0,0,0,0|1,0,0]=3 19823 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [0,2,0,0,0,0|1,0,0]=3 19824 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [0,2,0,0,0,0|1,0,1]=4 19825 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [0,2,0,0,0,0|1,0,1]=4 19826 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [0,2,0,0,0,0|0,0,1]=3 19827 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [0,2,0,0,0,0|0,0,1]=3 19828 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [0,2,0,0,0,0|1,0,1]=4 19829 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [0,2,0,0,0,0|1,0,1]=4 19830 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [0,2,0,0,0,0|1,0,0]=3 19831 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [0,2,0,0,0,0|1,0,0]=3 19832 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [0,2,0,0,0,0|1,0,0]=3 19833 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [0,2,0,0,0,0|1,0,0]=3 19834 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [0,2,0,0,0,0|0,0,1]=3 19835 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [0,2,0,0,0,0|0,0,1]=3 19836 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [0,2,0,0,0,0|0,0,1]=3 19837 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [0,2,0,0,0,0|0,0,1]=3 19838 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [0,2,0,0,0,0|0,0,2]=4 19839 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [0,2,0,0,0,0|0,0,2]=4 19840 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [0,2,0,0,0,0|1,0,1]=4 19841 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [0,2,0,0,0,0|1,0,1]=4 19842 B13R0.336 C=CCCCNCCCOCCCO 2230a_100011310245_100011713584 [0,2,0,0,0,0|0,0,2]=4 19843 B13R0.336 C=CCCCNCCCOCCCO 34a_100011310245_100000757094 [0,2,0,0,0,0|0,0,2]=4 19844 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [0,2,0,0,0,0|1,0,1]=4 19845 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [0,2,0,0,0,0|1,0,1]=4 19846 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [0,2,0,0,0,0|1,0,0]=3 19847 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [0,2,0,0,0,0|1,0,0]=3 19848 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [0,2,0,0,0,0|1,0,0]=3 19849 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [0,2,0,0,0,0|1,0,0]=3 19850 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [0,2,0,0,0,0|1,0,1]=4 19851 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [0,2,0,0,0,0|0,0,1]=3 19852 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [0,2,0,0,0,0|0,0,1]=3 19853 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [0,2,0,0,0,0|0,0,2]=4 19854 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [0,2,0,0,0,0|0,0,2]=4 19855 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [0,2,0,0,0,0|0,0,2]=4 19856 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [0,2,0,0,0,0|0,0,2]=4 19857 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [0,2,0,0,0,0|1,0,1]=4 19858 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [0,2,0,0,0,0|1,0,1]=4 19859 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [0,2,0,0,0,0|1,0,1]=4 19860 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [0,2,0,0,0,0|1,0,1]=4 19861 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [0,2,0,0,0,0|1,0,1]=4 19862 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [0,2,0,0,0,0|1,0,0]=3 19863 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [0,2,0,0,0,0|1,0,0]=3 19864 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [0,2,0,0,0,0|0,0,1]=3 19865 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [0,2,0,0,0,0|0,0,1]=3 19866 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [0,2,0,0,0,0|0,0,2]=4 19867 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [0,2,0,0,0,0|0,0,2]=4 19868 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [0,2,0,0,0,0|1,0,0]=3 19869 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [0,2,0,0,0,0|1,0,0]=3 19870 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [0,2,0,0,0,0|1,0,0]=3 19871 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [0,2,0,0,0,0|0,0,1]=3 19872 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [0,2,0,0,0,0|0,0,1]=3 19873 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [0,2,0,0,0,0|0,0,1]=3 19874 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [0,2,0,0,0,0|1,0,1]=4 19875 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [0,2,0,0,0,0|1,0,1]=4 19876 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [0,2,0,0,0,0|1,0,0]=3 19877 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [0,2,0,0,0,0|1,0,0]=3 19878 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [0,2,0,0,0,0|1,0,0]=3 19879 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [0,2,0,0,0,0|1,0,1]=4 19880 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [0,2,0,0,0,0|1,0,1]=4 19881 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [0,2,0,0,0,0|1,0,1]=4 19882 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [0,2,0,0,0,0|0,0,1]=3 19883 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [0,2,0,0,0,0|1,0,1]=4 19884 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [0,2,0,0,0,0|1,0,1]=4 19885 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [0,2,0,0,0,0|1,0,1]=4 19886 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [0,2,0,0,0,0|1,0,1]=4 19887 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [0,2,0,0,0,0|1,0,1]=4 19888 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [0,2,0,0,0,0|1,0,0]=3 19889 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [0,2,0,0,0,0|0,0,1]=3 19890 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [0,2,0,0,0,0|0,0,1]=3 19891 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [0,2,0,0,0,0|1,0,0]=3 19892 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [0,2,0,0,0,0|1,0,0]=3 19893 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [0,2,0,0,0,0|1,0,0]=3 19894 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [0,2,0,0,0,0|0,0,1]=3 19895 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [0,2,0,0,0,0|0,0,1]=3 19896 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [0,2,0,0,0,0|0,0,1]=3 19897 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [0,2,0,0,0,0|1,0,1]=4 19898 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [0,2,0,0,0,0|1,0,1]=4 19899 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [0,2,0,0,0,0|1,0,0]=3 19900 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [0,2,0,0,0,0|1,0,0]=3 19901 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [0,2,0,0,0,0|1,0,0]=3 19902 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [0,2,0,0,0,0|1,0,1]=4 19903 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [0,2,0,0,0,0|1,0,1]=4 19904 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [0,2,0,0,0,0|1,0,1]=4 19905 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [0,2,0,0,0,0|0,0,1]=3 19906 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,2,0,0,0,0|1,0,1]=4 19907 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,2,0,0,0,0|1,0,1]=4 19908 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [0,2,0,0,0,0|0,0,2]=4 19909 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [0,2,0,0,0,0|0,0,2]=4 19910 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [0,2,0,0,0,0|1,0,0]=3 19911 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [0,2,0,0,0,0|0,0,1]=3 19912 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [0,2,0,0,0,0|0,0,1]=3 19913 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [0,2,0,0,0,0|1,0,0]=3 19914 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [0,2,0,0,0,0|1,0,0]=3 19915 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [0,2,0,0,0,0|2,0,0]=4 19916 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [0,2,0,0,0,0|2,0,0]=4 19917 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [0,2,0,0,0,0|0,0,2]=4 19918 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [0,2,0,0,0,0|0,0,2]=4 19919 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [0,2,0,0,0,0|2,0,0]=4 19920 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [0,2,0,0,0,0|2,0,0]=4 19921 B13R0.336 C=COCCCCOCCCOCC 34a_100000031558_100012232248 [0,2,0,0,0,0|2,0,0]=4 19922 B13R0.336 C=COCCCCOCCCOCC 7a_100000031558_100012232248 [0,2,0,0,0,0|2,0,0]=4 19923 B13R0.336 C=COCCCCOCCOCCC 34a_100000031558_100011215938 [0,2,0,0,0,0|2,0,0]=4 19924 B13R0.336 C=COCCCCOCCOCCC 7a_100000031558_100011215938 [0,2,0,0,0,0|2,0,0]=4 19925 B13R0.336 C=COCCCCOCOCCCC 34a_100000031558_100011995733 [0,2,0,0,0,0|2,0,0]=4 19926 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [0,2,0,0,0,0|1,0,0]=3 19927 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [0,2,0,0,0,0|1,0,0]=3 19928 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [0,2,0,0,0,0|2,0,0]=4 19929 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [0,2,0,0,0,0|2,0,0]=4 19930 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [0,2,0,0,0,0|0,0,2]=4 19931 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [0,2,0,0,0,0|0,0,2]=4 19932 B13R0.336 C=COCCCNCCOCCCC 2230a_100000210767_100000743108 [0,2,0,0,0,0|2,0,0]=4 19933 B13R0.336 C=COCCCNCCOCCCC 34a_100000210767_100000743108 [0,2,0,0,0,0|2,0,0]=4 19934 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,2,0,0,0,0|1,0,0]=3 19935 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,2,0,0,0,0|1,0,0]=3 19936 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [0,2,0,0,0,0|0,0,2]=4 19937 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [0,2,0,0,0,0|0,0,2]=4 19938 B13R0.336 C=COCCNCCCOCCCC 2230a_200000211371_100000039644 [0,2,0,0,0,0|2,0,0]=4 19939 B13R0.336 C=COCCNCCCOCCCC 34a_200000211371_100000039644 [0,2,0,0,0,0|2,0,0]=4 19940 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [0,2,0,0,0,0|2,0,0]=4 19941 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [0,2,0,0,0,0|2,0,0]=4 19942 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,2,0,0,0,0|1,0,0]=3 19943 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,2,0,0,0,0|1,0,0]=3 19944 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,2,0,0,0,0|1,0,0]=3 19945 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [0,2,0,0,0,0|2,0,0]=4 19946 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [0,2,0,0,0,0|0,0,2]=4 19947 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,2,0,0,0,0|2,0,0]=4 19948 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,2,0,0,0,0|2,0,0]=4 19949 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,2,0,0,0,0|2,0,0]=4 19950 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [0,2,0,0,0,0|2,0,0]=4 19951 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [0,2,0,0,0,0|2,0,0]=4 19952 B13R0.336 C=COCCOCCNCCCCC 34a_100000224656_100000039644 [0,2,0,0,0,0|2,0,0]=4 19953 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [0,2,0,0,0,0|2,0,0]=4 19954 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [0,2,0,0,0,0|2,0,0]=4 19955 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [0,2,0,0,0,0|2,0,0]=4 19956 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [0,2,0,0,0,0|2,0,0]=4 19957 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,2,0,0,0,0|1,0,0]=3 19958 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,2,0,0,0,0|1,0,0]=3 19959 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [0,2,0,0,0,0|0,0,2]=4 19960 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [0,2,0,0,0,0|0,0,2]=4 19961 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [0,2,0,0,0,0|2,0,0]=4 19962 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [0,2,0,0,0,0|2,0,0]=4 19963 B13R0.336 CC#CCCOCCCCCCCC 34a_100000750427_100000210759 [0,2,0,0,0,0|1,0,1]=4 19964 B13R0.336 CC#CCCOCCCCCCCO 34a_100000750427_100000760002 [0,2,0,0,0,0|0,0,1]=3 19965 B13R0.336 CC#CCCOCCCCCCOC 34a_100000750427_100011998445 [0,2,0,0,0,0|0,0,2]=4 19966 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000212291_100000748600 [0,2,0,0,0,0|1,0,1]=4 19967 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000685387_100011214924 [0,2,0,0,0,0|1,0,1]=4 19968 B13R0.336 CC#CCNCCCCCCCCC 34a_100000212291_100000748600 [0,2,0,0,0,0|1,0,1]=4 19969 B13R0.336 CC#CCNCCCCCCCCC 34a_100000685387_100011214924 [0,2,0,0,0,0|1,0,1]=4 19970 B13R0.336 CC#CCNCCCCCCCCO 2230a_100000685387_100000033203 [0,2,0,0,0,0|0,0,1]=3 19971 B13R0.336 CC#CCNCCCCCCCCO 2230a_102515433106_100000748600 [0,2,0,0,0,0|0,0,1]=3 19972 B13R0.336 CC#CCNCCCCCCCCO 34a_100000685387_100000033203 [0,2,0,0,0,0|0,0,1]=3 19973 B13R0.336 CC#CCNCCCCCCCCO 34a_102515433106_100000748600 [0,2,0,0,0,0|0,0,1]=3 19974 B13R0.336 CC#CCOCCCCCCCCBr 34a_100009813846_100000748600 [0,2,0,0,0,0|1,0,1]=4 19975 B13R0.336 CC#CCOCCCCCCCCBr 7a_100009813846_100000748600 [0,2,0,0,0,0|1,0,1]=4 19976 B13R0.336 CC#CCOCCCCCCCCC 34a_100000210712_100000748600 [0,2,0,0,0,0|1,0,1]=4 19977 B13R0.336 CC#CCOCCCCCCCCC 34a_100000761923_100011214924 [0,2,0,0,0,0|1,0,1]=4 19978 B13R0.336 CC#CCOCCCCCCCCC 7a_100000210712_100000748600 [0,2,0,0,0,0|1,0,1]=4 19979 B13R0.336 CC#CCOCCCCCCCCCl 34a_100000033203_100000748600 [0,2,0,0,0,0|1,0,1]=4 19980 B13R0.336 CC#CCOCCCCCCCCCl 7a_100000033203_100000748600 [0,2,0,0,0,0|1,0,1]=4 19981 B13R0.336 CC#CCOCCCCCCCCN 34a_102515433106_100000748600 [0,2,0,0,0,0|1,0,1]=4 19982 B13R0.336 CC#CCOCCCCCCCCO 34a_100000761923_100000033203 [0,2,0,0,0,0|0,0,1]=3 19983 B13R0.336 CC#CCSCCCCCCCCC 62a_100000748600_100000210670 [0,2,0,0,0,0|1,0,1]=4 19984 B13R0.336 CC#CCSCCCCCCCCO 62a_100000033203_100000748600 [0,2,0,0,0,0|0,0,1]=3 19985 B13R0.336 CC#CCSCCCCCCCCO 62a_100000748600_100000033203 [0,2,0,0,0,0|0,0,1]=3 19986 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [0,2,0,0,0,0|1,0,1]=4 19987 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [0,2,0,0,0,0|1,0,1]=4 19988 B13R0.336 CC/C=C/CCCOCCCCCF 34a_100016287902_100000729378 [0,2,0,0,0,0|1,0,1]=4 19989 B13R0.336 CC/C=C/CCCOCCCCCF 7a_100016287902_100000729378 [0,2,0,0,0,0|1,0,1]=4 19990 B13R0.336 CC/C=C/CCCOCCCCCO 34a_100016287902_100000746330 [0,2,0,0,0,0|0,0,1]=3 19991 B13R0.336 CC/C=C/CCCOCCCCCO 7a_100016287902_100000746330 [0,2,0,0,0,0|0,0,1]=3 19992 B13R0.336 CC/C=C/CCCOCCCCOC 34a_100016287902_100000755781 [0,2,0,0,0,0|0,0,2]=4 19993 B13R0.336 CC/C=C/CCCOCCCCOC 7a_100016287902_100000730899 [0,2,0,0,0,0|0,0,2]=4 19994 B13R0.336 CC/C=C/CCCOCCOCCO 34a_100016287902_100000692535 [0,2,0,0,0,0|0,0,2]=4 19995 B13R0.336 CC/C=C/CCCOCCOCCO 7a_100016287902_100011215305 [0,2,0,0,0,0|0,0,2]=4 19996 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [0,2,0,0,0,0|1,0,1]=4 19997 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [0,2,0,0,0,0|1,0,1]=4 19998 B13R0.336 CC/C=C\CCCCCNCCCF 269862a_100015189416_100016288537 [0,2,0,0,0,0|1,0,1]=4 19999 B13R0.336 CC/C=C\CCCCCNCCCO 269862a_100000182051_100016288537 [0,2,0,0,0,0|0,0,1]=3 20000 B13R0.336 CC/C=C\CCCCCNCCOC 269862a_100000209980_100016288537 [0,2,0,0,0,0|0,0,2]=4 20001 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [0,2,0,0,0,0|1,0,1]=4 20002 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [0,2,0,0,0,0|1,0,1]=4 20003 B13R0.336 CC/C=C\CCCCCOCCCF 34a_100016268722_100011934791 [0,2,0,0,0,0|1,0,1]=4 20004 B13R0.336 CC/C=C\CCCCCOCCCF 7a_100016268722_100011934791 [0,2,0,0,0,0|1,0,1]=4 20005 B13R0.336 CC/C=C\CCCCCOCCCO 34a_100016268722_100000230001 [0,2,0,0,0,0|0,0,1]=3 20006 B13R0.336 CC/C=C\CCCCCOCCCO 7a_100016268722_100011215043 [0,2,0,0,0,0|0,0,1]=3 20007 B13R0.336 CC/C=C\CCCCCOCCOC 34a_100016268722_100011201679 [0,2,0,0,0,0|0,0,2]=4 20008 B13R0.336 CC/C=C\CCCCCOCCOC 7a_100016268722_100000233755 [0,2,0,0,0,0|0,0,2]=4 20009 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [0,2,0,0,0,0|1,0,1]=4 20010 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [0,2,0,0,0,0|1,0,1]=4 20011 B13R0.336 CC/C=C\CCCCOCCCCF 34a_100016287862_100000729493 [0,2,0,0,0,0|1,0,1]=4 20012 B13R0.336 CC/C=C\CCCCOCCCCF 7a_100016287862_100000729493 [0,2,0,0,0,0|1,0,1]=4 20013 B13R0.336 CC/C=C\CCCCOCCCCO 34a_100016287862_100011216708 [0,2,0,0,0,0|0,0,1]=3 20014 B13R0.336 CC/C=C\CCCCOCCCCO 7a_100016287862_100000210776 [0,2,0,0,0,0|0,0,1]=3 20015 B13R0.336 CC/C=C\CCCCOCCCOC 34a_100016287862_100000740836 [0,2,0,0,0,0|0,0,2]=4 20016 B13R0.336 CC/C=C\CCCCOCCCOC 7a_100016287862_100000740836 [0,2,0,0,0,0|0,0,2]=4 20017 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [0,2,0,0,0,0|1,0,1]=4 20018 B13R0.336 CC/C=C\CCNCCCCCCO 2230a_100000686447_100015370543 [0,2,0,0,0,0|0,0,1]=3 20019 B13R0.336 CC/C=C\CCNCCCCCCO 34a_100000686447_100015370543 [0,2,0,0,0,0|0,0,1]=3 20020 B13R0.336 CC/C=C\CCNCCCCCOC 2230a_100000747528_100015370543 [0,2,0,0,0,0|0,0,2]=4 20021 B13R0.336 CC/C=C\CCNCCCCCOC 34a_100000747528_100015370543 [0,2,0,0,0,0|0,0,2]=4 20022 B13R0.336 CC/C=C\CCOCCCCCCBr 34a_100011215345_100015370543 [0,2,0,0,0,0|1,0,1]=4 20023 B13R0.336 CC/C=C\CCOCCCCCCBr 7a_100011215345_100015370543 [0,2,0,0,0,0|1,0,1]=4 20024 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [0,2,0,0,0,0|1,0,1]=4 20025 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [0,2,0,0,0,0|1,0,1]=4 20026 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [0,2,0,0,0,0|1,0,1]=4 20027 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [0,2,0,0,0,0|1,0,1]=4 20028 B13R0.336 CC/C=C\CCOCCCCCCCl 34a_100000766143_100015370543 [0,2,0,0,0,0|1,0,1]=4 20029 B13R0.336 CC/C=C\CCOCCCCCCCl 7a_100000766143_100015370543 [0,2,0,0,0,0|1,0,1]=4 20030 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100000732779_100015370543 [0,2,0,0,0,0|1,0,1]=4 20031 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100016288707_100015922095 [0,2,0,0,0,0|1,0,1]=4 20032 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100000732779_100015370543 [0,2,0,0,0,0|1,0,1]=4 20033 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100016288707_100015922095 [0,2,0,0,0,0|1,0,1]=4 20034 B13R0.336 CC/C=C\CCOCCCCCCN 34a_100000686447_100015370543 [0,2,0,0,0,0|1,0,1]=4 20035 B13R0.336 CC/C=C\CCOCCCCCCO 34a_100016288707_100000766143 [0,2,0,0,0,0|0,0,1]=3 20036 B13R0.336 CC/C=C\CCOCCCCCCO 7a_100016288707_100000766143 [0,2,0,0,0,0|0,0,1]=3 20037 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [0,2,0,0,0,0|1,0,1]=4 20038 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [0,2,0,0,0,0|1,0,1]=4 20039 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015370543_100015922095 [0,2,0,0,0,0|1,0,1]=4 20040 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015922095_100015370543 [0,2,0,0,0,0|1,0,1]=4 20041 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100000766143_100015370543 [0,2,0,0,0,0|0,0,1]=3 20042 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100015370543_100000766143 [0,2,0,0,0,0|0,0,1]=3 20043 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [0,2,0,0,0,0|1,0,1]=4 20044 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [0,2,0,0,0,0|1,0,1]=4 20045 B13R0.336 CC/C=C\CNCCCCCCCO 2230a_100011996573_100103147603 [0,2,0,0,0,0|0,0,1]=3 20046 B13R0.336 CC/C=C\CNCCCCCCCO 34a_100011996573_100103147603 [0,2,0,0,0,0|0,0,1]=3 20047 B13R0.336 CC/C=C\CNCCCOCCCO 2230a_100011310245_100103147603 [0,2,0,0,0,0|0,0,2]=4 20048 B13R0.336 CC/C=C\CNCCCOCCCO 34a_100011310245_100103147603 [0,2,0,0,0,0|0,0,2]=4 20049 B13R0.336 CC/C=C\COCCCCCCCBr 34a_100000760002_100103147603 [0,2,0,0,0,0|1,0,1]=4 20050 B13R0.336 CC/C=C\COCCCCCCCBr 7a_100000760002_100103147603 [0,2,0,0,0,0|1,0,1]=4 20051 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [0,2,0,0,0,0|1,0,1]=4 20052 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [0,2,0,0,0,0|1,0,1]=4 20053 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [0,2,0,0,0,0|1,0,1]=4 20054 B13R0.336 CC/C=C\COCCCCCCCN 34a_100011996573_100103147603 [0,2,0,0,0,0|1,0,1]=4 20055 B13R0.336 CC/C=C\COCCCCCCCO 34a_100016268518_100000760002 [0,2,0,0,0,0|0,0,1]=3 20056 B13R0.336 CC/C=C\COCCCCCCOC 34a_100016268518_100011998445 [0,2,0,0,0,0|0,0,2]=4 20057 B13R0.336 CC/C=C\COCCCCCCOC 34a_200012092642_100103147603 [0,2,0,0,0,0|0,0,2]=4 20058 B13R0.336 CC/C=C\COCCCCCCOC 7a_200012092642_100103147603 [0,2,0,0,0,0|0,0,2]=4 20059 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [0,2,0,0,0,0|1,0,1]=4 20060 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [0,2,0,0,0,0|1,0,1]=4 20061 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100000760002_100103147603 [0,2,0,0,0,0|0,0,1]=3 20062 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100103147603_100000760002 [0,2,0,0,0,0|0,0,1]=3 20063 B13R0.336 CC/C=C\CSCCCCCCOC 62a_100011998445_100103147603 [0,2,0,0,0,0|0,0,2]=4 20064 B13R0.336 CC/C=C\CSCCCCCCOC 62a_100103147603_100011998445 [0,2,0,0,0,0|0,0,2]=4 20065 B13R0.336 CC=C=CCCOCCCCCCO 34a_100011020354_100000766143 [0,2,0,0,0,0|0,0,2]=4 20066 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [0,2,0,0,0,0|1,0,1]=4 20067 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [0,2,0,0,0,0|1,0,1]=4 20068 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [0,2,0,0,0,0|0,0,1]=3 20069 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [0,2,0,0,0,0|1,0,1]=4 20070 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [0,2,0,0,0,0|1,0,1]=4 20071 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [0,2,0,0,0,0|0,0,1]=3 20072 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [0,2,0,0,0,0|0,0,1]=3 20073 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [0,2,0,0,0,0|1,0,1]=4 20074 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [0,2,0,0,0,0|1,0,1]=4 20075 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [0,2,0,0,0,0|1,0,1]=4 20076 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [0,2,0,0,0,0|1,0,1]=4 20077 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [0,2,0,0,0,0|1,0,1]=4 20078 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [0,2,0,0,0,0|1,0,1]=4 20079 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [0,2,0,0,0,0|1,0,1]=4 20080 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [0,2,0,0,0,0|1,0,1]=4 20081 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [0,2,0,0,0,0|0,0,1]=3 20082 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [0,2,0,0,0,0|0,0,1]=3 20083 B13R0.336 CCC#CCCCCCCCCOC 34a_200000031908_200000210301 [0,2,0,0,0,0|0,0,1]=3 20084 B13R0.336 CCC#CCCCCCCCCOC 7a_200000031908_200000210301 [0,2,0,0,0,0|0,0,1]=3 20085 B13R0.336 CCC#CCCCCCCCCO[13CH3] 34a_200000031908_200025704644 [0,2,0,0,0,0|0,0,1]=3 20086 B13R0.336 CCC#CCCCCCCCCO[13CH3] 7a_200000031908_200025704644 [0,2,0,0,0,0|0,0,1]=3 20087 B13R0.336 CCC#CCCCCCCNCCF 34a_100000724931_200000036426 [0,2,0,0,0,0|1,0,1]=4 20088 B13R0.336 CCC#CCCCCCCNCCO 2230a_100016997473_200000036426 [0,2,0,0,0,0|0,0,1]=3 20089 B13R0.336 CCC#CCCCCCCNCCO 34a_100016990907_200000036426 [0,2,0,0,0,0|0,0,1]=3 20090 B13R0.336 CCC#CCCCCCCOCCBr 34a_100000211926_200000036426 [0,2,0,0,0,0|1,0,1]=4 20091 B13R0.336 CCC#CCCCCCCOCCC 34a_100000210258_200000036426 [0,2,0,0,0,0|1,0,1]=4 20092 B13R0.336 CCC#CCCCCCCOCCN 34a_100000210304_200000036426 [0,2,0,0,0,0|1,0,1]=4 20093 B13R0.336 CCC#CCCCCCCSCCC 62a_100000210303_200000036426 [0,2,0,0,0,0|1,0,1]=4 20094 B13R0.336 CCC#CCCCCCCSCCC 62a_200000036426_100000210303 [0,2,0,0,0,0|1,0,1]=4 20095 B13R0.336 CCC#CCCCCCCSCCF 62a_100011217306_200000036426 [0,2,0,0,0,0|1,0,1]=4 20096 B13R0.336 CCC#CCCCCCCSCCF 62a_200000036426_100011217306 [0,2,0,0,0,0|1,0,1]=4 20097 B13R0.336 CCC#CCCCCCCSCCO 62a_100000211926_200000036426 [0,2,0,0,0,0|0,0,1]=3 20098 B13R0.336 CCC#CCCCCCCSCCO 62a_200000036426_100000211926 [0,2,0,0,0,0|0,0,1]=3 20099 B13R0.336 CCC#CCCCCCCSCOC 62a_100000766300_200000036426 [0,2,0,0,0,0|0,0,2]=4 20100 B13R0.336 CCC#CCCCCCCSCOC 62a_200000036426_100000766300 [0,2,0,0,0,0|0,0,2]=4 20101 B13R0.336 CCC#CCCOCCCCCCC 34a_100000036655_100000210614 [0,2,0,0,0,0|1,0,1]=4 20102 B13R0.336 CCC#CCCOCCCCCCC 7a_100000036655_100000210614 [0,2,0,0,0,0|1,0,1]=4 20103 B13R0.336 CCC#CCCOCCCCCCF 34a_100000036655_100015922095 [0,2,0,0,0,0|1,0,1]=4 20104 B13R0.336 CCC#CCCOCCCCCCF 7a_100000036655_100015922095 [0,2,0,0,0,0|1,0,1]=4 20105 B13R0.336 CCC#CCCOCCCCCCO 34a_100000036655_100000766143 [0,2,0,0,0,0|0,0,1]=3 20106 B13R0.336 CCC#CCCOCCCCCCO 7a_100000036655_100000766143 [0,2,0,0,0,0|0,0,1]=3 20107 B13R0.336 CCC#CCNCCCCCCCC 2230a_100000229939_100009813939 [0,2,0,0,0,0|1,0,1]=4 20108 B13R0.336 CCC#CCNCCCCCCCC 34a_100000229939_100009813939 [0,2,0,0,0,0|1,0,1]=4 20109 B13R0.336 CCC#CCNCCCCCCCO 2230a_100011996573_100009813939 [0,2,0,0,0,0|0,0,1]=3 20110 B13R0.336 CCC#CCNCCCCCCCO 34a_100011996573_100009813939 [0,2,0,0,0,0|0,0,1]=3 20111 B13R0.336 CCC#CCNCCCOCCCO 2230a_100011310245_100009813939 [0,2,0,0,0,0|0,0,2]=4 20112 B13R0.336 CCC#CCNCCCOCCCO 34a_100011310245_100009813939 [0,2,0,0,0,0|0,0,2]=4 20113 B13R0.336 CCC#CCOCCCCCCCBr 34a_100000760002_100009813939 [0,2,0,0,0,0|1,0,1]=4 20114 B13R0.336 CCC#CCOCCCCCCCBr 7a_100000760002_100009813939 [0,2,0,0,0,0|1,0,1]=4 20115 B13R0.336 CCC#CCOCCCCCCCC 34a_100000032950_100000210759 [0,2,0,0,0,0|1,0,1]=4 20116 B13R0.336 CCC#CCOCCCCCCCC 34a_100000210232_100009813939 [0,2,0,0,0,0|1,0,1]=4 20117 B13R0.336 CCC#CCOCCCCCCCC 7a_100000210232_100009813939 [0,2,0,0,0,0|1,0,1]=4 20118 B13R0.336 CCC#CCOCCCCCCCN 34a_100011996573_100009813939 [0,2,0,0,0,0|1,0,1]=4 20119 B13R0.336 CCC#CCOCCCCCCCO 34a_100000032950_100000760002 [0,2,0,0,0,0|0,0,1]=3 20120 B13R0.336 CCC#CCOCCCCCCOC 34a_100000032950_100011998445 [0,2,0,0,0,0|0,0,2]=4 20121 B13R0.336 CCC#CCOCCCCCCOC 34a_200012092642_100009813939 [0,2,0,0,0,0|0,0,2]=4 20122 B13R0.336 CCC#CCOCCCCCCOC 7a_200012092642_100009813939 [0,2,0,0,0,0|0,0,2]=4 20123 B13R0.336 CCC#CCSCCCCCCCC 62a_100000210759_100009813939 [0,2,0,0,0,0|1,0,1]=4 20124 B13R0.336 CCC#CCSCCCCCCCC 62a_100009813939_100000210317 [0,2,0,0,0,0|1,0,1]=4 20125 B13R0.336 CCC#CCSCCCCCCCO 62a_100000760002_100009813939 [0,2,0,0,0,0|0,0,1]=3 20126 B13R0.336 CCC#CCSCCCCCCCO 62a_100009813939_100000760002 [0,2,0,0,0,0|0,0,1]=3 20127 B13R0.336 CCC#CCSCCCCCCOC 62a_100009813939_100011998445 [0,2,0,0,0,0|0,0,2]=4 20128 B13R0.336 CCC#CCSCCCCCCOC 62a_100011998445_100009813939 [0,2,0,0,0,0|0,0,2]=4 20129 B13R0.336 CCC/C=C/COCCCCCCC 34a_100016278788_100000210614 [0,2,0,0,0,0|1,0,1]=4 20130 B13R0.336 CCC/C=C/COCCCCCCC 7a_100016278788_100000210614 [0,2,0,0,0,0|1,0,1]=4 20131 B13R0.336 CCC/C=C/COCCCCCCF 34a_100016278788_100015922095 [0,2,0,0,0,0|1,0,1]=4 20132 B13R0.336 CCC/C=C/COCCCCCCF 7a_100016278788_100015922095 [0,2,0,0,0,0|1,0,1]=4 20133 B13R0.336 CCC/C=C/COCCCCCCO 34a_100016278788_100000766143 [0,2,0,0,0,0|0,0,1]=3 20134 B13R0.336 CCC/C=C/COCCCCCCO 7a_100016278788_100000766143 [0,2,0,0,0,0|0,0,1]=3 20135 B13R0.336 CCCC#CCCOCCCCCC 34a_100000042726_100000210314 [0,2,0,0,0,0|1,0,1]=4 20136 B13R0.336 CCCC#CCCOCCCCCC 7a_100000042726_100000210314 [0,2,0,0,0,0|1,0,1]=4 20137 B13R0.336 CCCC#CCCOCCCCCF 34a_100000042726_100000729378 [0,2,0,0,0,0|1,0,1]=4 20138 B13R0.336 CCCC#CCCOCCCCCF 7a_100000042726_100000729378 [0,2,0,0,0,0|1,0,1]=4 20139 B13R0.336 CCCC#CCCOCCCCCO 34a_100000042726_100000746330 [0,2,0,0,0,0|0,0,1]=3 20140 B13R0.336 CCCC#CCCOCCCCCO 7a_100000042726_100000746330 [0,2,0,0,0,0|0,0,1]=3 20141 B13R0.336 CCCC#CCCOCCCCOC 34a_100000042726_100000755781 [0,2,0,0,0,0|0,0,2]=4 20142 B13R0.336 CCCC#CCCOCCCCOC 7a_100000042726_100000730899 [0,2,0,0,0,0|0,0,2]=4 20143 B13R0.336 CCCC#CCCOCCOCCO 34a_100000042726_100000692535 [0,2,0,0,0,0|0,0,2]=4 20144 B13R0.336 CCCC#CCCOCCOCCO 7a_100000042726_100011215305 [0,2,0,0,0,0|0,0,2]=4 20145 B13R0.336 CCCC#CCOCCCCCCC 34a_100000034806_100000210614 [0,2,0,0,0,0|1,0,1]=4 20146 B13R0.336 CCCC#CCOCCCCCCC 7a_100000034806_100000210614 [0,2,0,0,0,0|1,0,1]=4 20147 B13R0.336 CCCC#CCOCCCCCCF 34a_100000034806_100015922095 [0,2,0,0,0,0|1,0,1]=4 20148 B13R0.336 CCCC#CCOCCCCCCF 7a_100000034806_100015922095 [0,2,0,0,0,0|1,0,1]=4 20149 B13R0.336 CCCC#CCOCCCCCCO 34a_100000034806_100000766143 [0,2,0,0,0,0|0,0,1]=3 20150 B13R0.336 CCCC#CCOCCCCCCO 7a_100000034806_100000766143 [0,2,0,0,0,0|0,0,1]=3 20151 B13R0.336 CCCC/C=C/CCCCOCCC 34a_200020645093_100000210303 [0,2,0,0,0,0|1,0,1]=4 20152 B13R0.336 CCCC/C=C/CCCCOCCC 7a_200020645093_100000210303 [0,2,0,0,0,0|1,0,1]=4 20153 B13R0.336 CCCC/C=C/CCCCOCCF 34a_200020645093_100011217306 [0,2,0,0,0,0|1,0,1]=4 20154 B13R0.336 CCCC/C=C/CCCCOCCF 7a_200020645093_100011217306 [0,2,0,0,0,0|1,0,1]=4 20155 B13R0.336 CCCC/C=C/CCCCOCCO 34a_200020645093_100000211926 [0,2,0,0,0,0|0,0,1]=3 20156 B13R0.336 CCCC/C=C/CCCCOCCO 7a_200020645093_100000211926 [0,2,0,0,0,0|0,0,1]=3 20157 B13R0.336 CCCC/C=C/COCCCCCC 34a_200016272032_100000210314 [0,2,0,0,0,0|1,0,1]=4 20158 B13R0.336 CCCC/C=C/COCCCCCC 7a_200016272032_100000210314 [0,2,0,0,0,0|1,0,1]=4 20159 B13R0.336 CCCC/C=C/COCCCCCF 34a_200016272032_100000729378 [0,2,0,0,0,0|1,0,1]=4 20160 B13R0.336 CCCC/C=C/COCCCCCF 7a_200016272032_100000729378 [0,2,0,0,0,0|1,0,1]=4 20161 B13R0.336 CCCC/C=C/COCCCCCO 34a_200016272032_100000746330 [0,2,0,0,0,0|0,0,1]=3 20162 B13R0.336 CCCC/C=C/COCCCCCO 7a_200016272032_100000746330 [0,2,0,0,0,0|0,0,1]=3 20163 B13R0.336 CCCC/C=C/COCCCCOC 34a_200016272032_100000755781 [0,2,0,0,0,0|0,0,2]=4 20164 B13R0.336 CCCC/C=C/COCCCCOC 7a_200016272032_100000730899 [0,2,0,0,0,0|0,0,2]=4 20165 B13R0.336 CCCC/C=C/COCCOCCO 34a_200016272032_100000692535 [0,2,0,0,0,0|0,0,2]=4 20166 B13R0.336 CCCC/C=C/COCCOCCO 7a_200016272032_100011215305 [0,2,0,0,0,0|0,0,2]=4 20167 B13R0.336 CCCC/C=C\CCOCCCCC 34a_200016286491_100000718602 [0,2,0,0,0,0|1,0,1]=4 20168 B13R0.336 CCCC/C=C\CCOCCCCC 7a_200016286491_100000210326 [0,2,0,0,0,0|1,0,1]=4 20169 B13R0.336 CCCC/C=C\CCOCCCCF 34a_200016286491_100000729493 [0,2,0,0,0,0|1,0,1]=4 20170 B13R0.336 CCCC/C=C\CCOCCCCF 7a_200016286491_100000729493 [0,2,0,0,0,0|1,0,1]=4 20171 B13R0.336 CCCC/C=C\CCOCCCCO 34a_200016286491_100011216708 [0,2,0,0,0,0|0,0,1]=3 20172 B13R0.336 CCCC/C=C\CCOCCCCO 7a_200016286491_100000210776 [0,2,0,0,0,0|0,0,1]=3 20173 B13R0.336 CCCC/C=C\CCOCCCOC 34a_200016286491_100000740836 [0,2,0,0,0,0|0,0,2]=4 20174 B13R0.336 CCCC/C=C\CCOCCCOC 7a_200016286491_100000740836 [0,2,0,0,0,0|0,0,2]=4 20175 B13R0.336 CCCCC#CCCCCCCNC 2230a_106832991635_200000043322 [0,2,0,0,0,0|1,0,1]=4 20176 B13R0.336 CCCCC#CCCCCCCNC 34a_100102657272_200000043322 [0,2,0,0,0,0|1,0,1]=4 20177 B13R0.336 CCCCC#CCCCCCCNC 7a_106832991635_200000043322 [0,2,0,0,0,0|1,0,1]=4 20178 B13R0.336 CCCCC#CCCCCCCOC 34a_100138415774_200000043322 [0,2,0,0,0,0|0,0,1]=3 20179 B13R0.336 CCCCC#CCCCCCCSC 62a_200000043322_200000210301 [0,2,0,0,0,0|0,1,1]=4 20180 B13R0.336 CCCCC#CCCCCCCSC 62a_200000210301_200000043322 [0,2,0,0,0,0|0,1,1]=4 20181 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200000043322_200025704644 [0,2,0,0,0,0|0,1,1]=4 20182 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200025704644_200000043322 [0,2,0,0,0,0|0,1,1]=4 20183 B13R0.336 CCCCC#CCCCCOCCC 34a_200000066234_100000210303 [0,2,0,0,0,0|1,0,1]=4 20184 B13R0.336 CCCCC#CCCCCOCCC 7a_200000066234_100000210303 [0,2,0,0,0,0|1,0,1]=4 20185 B13R0.336 CCCCC#CCCCCOCCF 34a_200000066234_100011217306 [0,2,0,0,0,0|1,0,1]=4 20186 B13R0.336 CCCCC#CCCCCOCCF 7a_200000066234_100011217306 [0,2,0,0,0,0|1,0,1]=4 20187 B13R0.336 CCCCC#CCCCCOCCO 34a_200000066234_100000211926 [0,2,0,0,0,0|0,0,1]=3 20188 B13R0.336 CCCCC#CCCCCOCCO 7a_200000066234_100000211926 [0,2,0,0,0,0|0,0,1]=3 20189 B13R0.336 CCCCC#CCCCNCCCC 2230a_100000102301_200000047210 [0,2,0,0,0,0|1,0,1]=4 20190 B13R0.336 CCCCC#CCCCNCCCC 7a_106832991798_200000047210 [0,2,0,0,0,0|1,0,1]=4 20191 B13R0.336 CCCCC#CCCCNCCCF 2230a_100015189416_200000047210 [0,2,0,0,0,0|1,0,1]=4 20192 B13R0.336 CCCCC#CCCCNCCCF 34a_100015189416_200000047210 [0,2,0,0,0,0|1,0,1]=4 20193 B13R0.336 CCCCC#CCCCNCCOC 2230a_100000209980_200000047210 [0,2,0,0,0,0|0,0,2]=4 20194 B13R0.336 CCCCC#CCCCOCCCBr 34a_100011217188_200000047210 [0,2,0,0,0,0|1,0,1]=4 20195 B13R0.336 CCCCC#CCCCOCCCC 34a_100000210227_200000047210 [0,2,0,0,0,0|1,0,1]=4 20196 B13R0.336 CCCCC#CCCCOCCCC 7a_100000210227_200000047210 [0,2,0,0,0,0|1,0,1]=4 20197 B13R0.336 CCCCC#CCCCOCCCCl 34a_100000230001_200000047210 [0,2,0,0,0,0|1,0,1]=4 20198 B13R0.336 CCCCC#CCCCOCCCF 34a_100000759539_200000047210 [0,2,0,0,0,0|1,0,1]=4 20199 B13R0.336 CCCCC#CCCCOCCCN 34a_100000182051_200000047210 [0,2,0,0,0,0|1,0,1]=4 20200 B13R0.336 CCCCC#CCCCOCCOC 34a_100000210237_200000047210 [0,2,0,0,0,0|0,0,2]=4 20201 B13R0.336 CCCCC#CCCCOCCON 34a_100000700252_200000047210 [0,2,0,0,0,0|0,0,2]=4 20202 B13R0.336 CCCCC#CCCCSCCCC 62a_100000210211_200000047210 [0,2,0,0,0,0|1,0,1]=4 20203 B13R0.336 CCCCC#CCCCSCCCC 62a_200000047210_100000210210 [0,2,0,0,0,0|1,0,1]=4 20204 B13R0.336 CCCCC#CCCCSCCCF 62a_100011934791_200000047210 [0,2,0,0,0,0|1,0,1]=4 20205 B13R0.336 CCCCC#CCCCSCCCF 62a_200000047210_100011934791 [0,2,0,0,0,0|1,0,1]=4 20206 B13R0.336 CCCCC#CCCCSCCCO 62a_100011215043_200000047210 [0,2,0,0,0,0|0,0,1]=3 20207 B13R0.336 CCCCC#CCCCSCCCO 62a_200000047210_100011215043 [0,2,0,0,0,0|0,0,1]=3 20208 B13R0.336 CCCCC#CCCCSCCOC 62a_100000233755_200000047210 [0,2,0,0,0,0|0,0,2]=4 20209 B13R0.336 CCCCC#CCCCSCCOC 62a_200000047210_100000233755 [0,2,0,0,0,0|0,0,2]=4 20210 B13R0.336 CCCCC#CCCOCCCCC 34a_100000037610_100000718602 [0,2,0,0,0,0|1,0,1]=4 20211 B13R0.336 CCCCC#CCCOCCCCC 7a_100000037610_100000210326 [0,2,0,0,0,0|1,0,1]=4 20212 B13R0.336 CCCCC#CCCOCCCCF 34a_100000037610_100000729493 [0,2,0,0,0,0|1,0,1]=4 20213 B13R0.336 CCCCC#CCCOCCCCF 7a_100000037610_100000729493 [0,2,0,0,0,0|1,0,1]=4 20214 B13R0.336 CCCCC#CCCOCCCCO 34a_100000037610_100011216708 [0,2,0,0,0,0|0,0,1]=3 20215 B13R0.336 CCCCC#CCCOCCCCO 7a_100000037610_100000210776 [0,2,0,0,0,0|0,0,1]=3 20216 B13R0.336 CCCCC#CCCOCCCOC 34a_100000037610_100000740836 [0,2,0,0,0,0|0,0,2]=4 20217 B13R0.336 CCCCC#CCCOCCCOC 7a_100000037610_100000740836 [0,2,0,0,0,0|0,0,2]=4 20218 B13R0.336 CCCCC#CCOCCCCCC 34a_200000034558_100000210314 [0,2,0,0,0,0|1,0,1]=4 20219 B13R0.336 CCCCC#CCOCCCCCC 7a_200000034558_100000210314 [0,2,0,0,0,0|1,0,1]=4 20220 B13R0.336 CCCCC#CCOCCCCCF 34a_200000034558_100000729378 [0,2,0,0,0,0|1,0,1]=4 20221 B13R0.336 CCCCC#CCOCCCCCF 7a_200000034558_100000729378 [0,2,0,0,0,0|1,0,1]=4 20222 B13R0.336 CCCCC#CCOCCCCCO 34a_200000034558_100000746330 [0,2,0,0,0,0|0,0,1]=3 20223 B13R0.336 CCCCC#CCOCCCCCO 7a_200000034558_100000746330 [0,2,0,0,0,0|0,0,1]=3 20224 B13R0.336 CCCCC#CCOCCCCOC 34a_200000034558_100000755781 [0,2,0,0,0,0|0,0,2]=4 20225 B13R0.336 CCCCC#CCOCCCCOC 7a_200000034558_100000730899 [0,2,0,0,0,0|0,0,2]=4 20226 B13R0.336 CCCCC#CCOCCOCCO 34a_200000034558_100000692535 [0,2,0,0,0,0|0,0,2]=4 20227 B13R0.336 CCCCC#CCOCCOCCO 7a_200000034558_100011215305 [0,2,0,0,0,0|0,0,2]=4 20228 B13R0.336 CCCCC/C=C/COCCCCC 34a_100016258190_100000718602 [0,2,0,0,0,0|1,0,1]=4 20229 B13R0.336 CCCCC/C=C/COCCCCC 7a_100016258190_100000210326 [0,2,0,0,0,0|1,0,1]=4 20230 B13R0.336 CCCCC/C=C/COCCCCF 34a_100016258190_100000729493 [0,2,0,0,0,0|1,0,1]=4 20231 B13R0.336 CCCCC/C=C/COCCCCF 7a_100016258190_100000729493 [0,2,0,0,0,0|1,0,1]=4 20232 B13R0.336 CCCCC/C=C/COCCCCO 34a_100016258190_100011216708 [0,2,0,0,0,0|0,0,1]=3 20233 B13R0.336 CCCCC/C=C/COCCCCO 7a_100016258190_100000210776 [0,2,0,0,0,0|0,0,1]=3 20234 B13R0.336 CCCCC/C=C/COCCCOC 34a_100016258190_100000740836 [0,2,0,0,0,0|0,0,2]=4 20235 B13R0.336 CCCCC/C=C/COCCCOC 7a_100016258190_100000740836 [0,2,0,0,0,0|0,0,2]=4 20236 B13R0.336 CCCCC/C=C\CCCOCCC 34a_100020655193_100000210303 [0,2,0,0,0,0|1,0,1]=4 20237 B13R0.336 CCCCC/C=C\CCCOCCC 7a_100020655193_100000210303 [0,2,0,0,0,0|1,0,1]=4 20238 B13R0.336 CCCCC/C=C\CCCOCCF 34a_100020655193_100011217306 [0,2,0,0,0,0|1,0,1]=4 20239 B13R0.336 CCCCC/C=C\CCCOCCF 7a_100020655193_100011217306 [0,2,0,0,0,0|1,0,1]=4 20240 B13R0.336 CCCCC/C=C\CCCOCCO 34a_100020655193_100000211926 [0,2,0,0,0,0|0,0,1]=3 20241 B13R0.336 CCCCC/C=C\CCCOCCO 7a_100020655193_100000211926 [0,2,0,0,0,0|0,0,1]=3 20242 B13R0.336 CCCCC/C=C\CCOCCCC 34a_100016277358_100000210210 [0,2,0,0,0,0|1,0,1]=4 20243 B13R0.336 CCCCC/C=C\CCOCCCC 7a_100016277358_100000210211 [0,2,0,0,0,0|1,0,1]=4 20244 B13R0.336 CCCCC/C=C\CCOCCCF 34a_100016277358_100011934791 [0,2,0,0,0,0|1,0,1]=4 20245 B13R0.336 CCCCC/C=C\CCOCCCF 7a_100016277358_100011934791 [0,2,0,0,0,0|1,0,1]=4 20246 B13R0.336 CCCCC/C=C\CCOCCCO 34a_100016277358_100000230001 [0,2,0,0,0,0|0,0,1]=3 20247 B13R0.336 CCCCC/C=C\CCOCCCO 7a_100016277358_100011215043 [0,2,0,0,0,0|0,0,1]=3 20248 B13R0.336 CCCCC/C=C\CCOCCOC 34a_100016277358_100011201679 [0,2,0,0,0,0|0,0,2]=4 20249 B13R0.336 CCCCC/C=C\CCOCCOC 7a_100016277358_100000233755 [0,2,0,0,0,0|0,0,2]=4 20250 B13R0.336 CCCCCC#CCCOCCCC 34a_200000042877_100000210210 [0,2,0,0,0,0|1,0,1]=4 20251 B13R0.336 CCCCCC#CCCOCCCC 7a_200000042877_100000210211 [0,2,0,0,0,0|1,0,1]=4 20252 B13R0.336 CCCCCC#CCCOCCCF 34a_200000042877_100011934791 [0,2,0,0,0,0|1,0,1]=4 20253 B13R0.336 CCCCCC#CCCOCCCF 7a_200000042877_100011934791 [0,2,0,0,0,0|1,0,1]=4 20254 B13R0.336 CCCCCC#CCCOCCCO 34a_200000042877_100000230001 [0,2,0,0,0,0|0,0,1]=3 20255 B13R0.336 CCCCCC#CCCOCCCO 7a_200000042877_100011215043 [0,2,0,0,0,0|0,0,1]=3 20256 B13R0.336 CCCCCC#CCCOCCOC 34a_200000042877_100011201679 [0,2,0,0,0,0|0,0,2]=4 20257 B13R0.336 CCCCCC#CCCOCCOC 7a_200000042877_100000233755 [0,2,0,0,0,0|0,0,2]=4 20258 B13R0.336 CCCCCC#CCNCCCCC 2230a_100000209983_100009816472 [0,2,0,0,0,0|1,0,1]=4 20259 B13R0.336 CCCCCC#CCNCCCCO 2230a_100000750430_100009816472 [0,2,0,0,0,0|0,0,1]=3 20260 B13R0.336 CCCCCC#CCNCCCCO 34a_100000750430_100009816472 [0,2,0,0,0,0|0,0,1]=3 20261 B13R0.336 CCCCCC#CCNCCCOC 34a_100150723488_100009816472 [0,2,0,0,0,0|0,0,2]=4 20262 B13R0.336 CCCCCC#CCOCCCCBr 34a_100011216708_100009816472 [0,2,0,0,0,0|1,0,1]=4 20263 B13R0.336 CCCCCC#CCOCCCCC 34a_100000210253_100009816472 [0,2,0,0,0,0|1,0,1]=4 20264 B13R0.336 CCCCCC#CCOCCCCC 34a_200000033628_100000718602 [0,2,0,0,0,0|1,0,1]=4 20265 B13R0.336 CCCCCC#CCOCCCCC 7a_100000210253_100009816472 [0,2,0,0,0,0|1,0,1]=4 20266 B13R0.336 CCCCCC#CCOCCCCC 7a_200000033628_100000210326 [0,2,0,0,0,0|1,0,1]=4 20267 B13R0.336 CCCCCC#CCOCCCCCl 34a_100000210776_100009816472 [0,2,0,0,0,0|1,0,1]=4 20268 B13R0.336 CCCCCC#CCOCCCCCl 7a_100000210776_100009816472 [0,2,0,0,0,0|1,0,1]=4 20269 B13R0.336 CCCCCC#CCOCCCCF 34a_100011995726_100009816472 [0,2,0,0,0,0|1,0,1]=4 20270 B13R0.336 CCCCCC#CCOCCCCF 34a_200000033628_100000729493 [0,2,0,0,0,0|1,0,1]=4 20271 B13R0.336 CCCCCC#CCOCCCCF 7a_100011995726_100009816472 [0,2,0,0,0,0|1,0,1]=4 20272 B13R0.336 CCCCCC#CCOCCCCF 7a_200000033628_100000729493 [0,2,0,0,0,0|1,0,1]=4 20273 B13R0.336 CCCCCC#CCOCCCCI 34a_200012148704_100009816472 [0,2,0,0,0,0|1,0,1]=4 20274 B13R0.336 CCCCCC#CCOCCCCN 34a_100000750430_100009816472 [0,2,0,0,0,0|1,0,1]=4 20275 B13R0.336 CCCCCC#CCOCCCCO 34a_200000033628_100011216708 [0,2,0,0,0,0|0,0,1]=3 20276 B13R0.336 CCCCCC#CCOCCCCO 7a_200000033628_100000210776 [0,2,0,0,0,0|0,0,1]=3 20277 B13R0.336 CCCCCC#CCOCCCOC 34a_100000740835_100009816472 [0,2,0,0,0,0|0,0,2]=4 20278 B13R0.336 CCCCCC#CCOCCCOC 34a_200000033628_100000740836 [0,2,0,0,0,0|0,0,2]=4 20279 B13R0.336 CCCCCC#CCOCCCOC 7a_200000033628_100000740836 [0,2,0,0,0,0|0,0,2]=4 20280 B13R0.336 CCCCCC#CCSCCCCC 62a_100000210326_100009816472 [0,2,0,0,0,0|1,0,1]=4 20281 B13R0.336 CCCCCC#CCSCCCCC 62a_100009816472_100000210326 [0,2,0,0,0,0|1,0,1]=4 20282 B13R0.336 CCCCCC#CCSCCCCF 62a_100000729493_100009816472 [0,2,0,0,0,0|1,0,1]=4 20283 B13R0.336 CCCCCC#CCSCCCCF 62a_100009816472_100000729493 [0,2,0,0,0,0|1,0,1]=4 20284 B13R0.336 CCCCCC#CCSCCCCO 62a_100000210776_100009816472 [0,2,0,0,0,0|0,0,1]=3 20285 B13R0.336 CCCCCC#CCSCCCCO 62a_100009816472_100000210776 [0,2,0,0,0,0|0,0,1]=3 20286 B13R0.336 CCCCCC#CCSCCCOC 62a_100000709357_100009816472 [0,2,0,0,0,0|0,0,2]=4 20287 B13R0.336 CCCCCC#CCSCCCOC 62a_100009816472_100000709357 [0,2,0,0,0,0|0,0,2]=4 20288 B13R0.336 CCCCCC/C=C/COCCCC 34a_200016276170_100000210210 [0,2,0,0,0,0|1,0,1]=4 20289 B13R0.336 CCCCCC/C=C/COCCCC 7a_200016276170_100000210211 [0,2,0,0,0,0|1,0,1]=4 20290 B13R0.336 CCCCCC/C=C/COCCCF 34a_200016276170_100011934791 [0,2,0,0,0,0|1,0,1]=4 20291 B13R0.336 CCCCCC/C=C/COCCCF 7a_200016276170_100011934791 [0,2,0,0,0,0|1,0,1]=4 20292 B13R0.336 CCCCCC/C=C/COCCCO 34a_200016276170_100000230001 [0,2,0,0,0,0|0,0,1]=3 20293 B13R0.336 CCCCCC/C=C/COCCCO 7a_200016276170_100011215043 [0,2,0,0,0,0|0,0,1]=3 20294 B13R0.336 CCCCCC/C=C/COCCOC 34a_200016276170_100011201679 [0,2,0,0,0,0|0,0,2]=4 20295 B13R0.336 CCCCCC/C=C/COCCOC 7a_200016276170_100000233755 [0,2,0,0,0,0|0,0,2]=4 20296 B13R0.336 CCCCCCC#CCCOCCC 34a_200000033163_100000210303 [0,2,0,0,0,0|1,0,1]=4 20297 B13R0.336 CCCCCCC#CCCOCCC 7a_200000033163_100000210303 [0,2,0,0,0,0|1,0,1]=4 20298 B13R0.336 CCCCCCC#CCCOCCF 34a_200000033163_100011217306 [0,2,0,0,0,0|1,0,1]=4 20299 B13R0.336 CCCCCCC#CCCOCCF 7a_200000033163_100011217306 [0,2,0,0,0,0|1,0,1]=4 20300 B13R0.336 CCCCCCC#CCCOCCO 34a_200000033163_100000211926 [0,2,0,0,0,0|0,0,1]=3 20301 B13R0.336 CCCCCCC#CCCOCCO 7a_200000033163_100000211926 [0,2,0,0,0,0|0,0,1]=3 20302 B13R0.336 CCCCCCC#CCOCCCC 34a_200000037284_100000210210 [0,2,0,0,0,0|1,0,1]=4 20303 B13R0.336 CCCCCCC#CCOCCCC 7a_200000037284_100000210211 [0,2,0,0,0,0|1,0,1]=4 20304 B13R0.336 CCCCCCC#CCOCCCF 34a_200000037284_100011934791 [0,2,0,0,0,0|1,0,1]=4 20305 B13R0.336 CCCCCCC#CCOCCCF 7a_200000037284_100011934791 [0,2,0,0,0,0|1,0,1]=4 20306 B13R0.336 CCCCCCC#CCOCCCO 34a_200000037284_100000230001 [0,2,0,0,0,0|0,0,1]=3 20307 B13R0.336 CCCCCCC#CCOCCCO 7a_200000037284_100011215043 [0,2,0,0,0,0|0,0,1]=3 20308 B13R0.336 CCCCCCC#CCOCCOC 34a_200000037284_100011201679 [0,2,0,0,0,0|0,0,2]=4 20309 B13R0.336 CCCCCCC#CCOCCOC 7a_200000037284_100000233755 [0,2,0,0,0,0|0,0,2]=4 20310 B13R0.336 CCCCCCC=NNCCCCC 4a_100000694160_100000234349 [0,2,0,0,0,0|1,0,1]=4 20311 B13R0.336 CCCCCCCC#CCOCCC 34a_200000061759_100000210303 [0,2,0,0,0,0|1,0,1]=4 20312 B13R0.336 CCCCCCCC#CCOCCC 7a_200000061759_100000210303 [0,2,0,0,0,0|1,0,1]=4 20313 B13R0.336 CCCCCCCC#CCOCCF 34a_200000061759_100011217306 [0,2,0,0,0,0|1,0,1]=4 20314 B13R0.336 CCCCCCCC#CCOCCF 7a_200000061759_100011217306 [0,2,0,0,0,0|1,0,1]=4 20315 B13R0.336 CCCCCCCC#CCOCCO 34a_200000061759_100000211926 [0,2,0,0,0,0|0,0,1]=3 20316 B13R0.336 CCCCCCCC#CCOCCO 7a_200000061759_100000211926 [0,2,0,0,0,0|0,0,1]=3 20317 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [0,2,0,0,0,0|0,0,2]=4 20318 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [0,2,0,0,0,0|0,0,2]=4 20319 B13R0.336 CCCCCCCC/C=C/COCF 34a_200020667288_100015361967 [0,2,0,0,0,0|0,0,2]=4 20320 B13R0.336 CCCCCCCC/C=C/COCF 7a_200020667288_100015361967 [0,2,0,0,0,0|0,0,2]=4 20321 B13R0.336 CCCCCCCC=NNCCCC 4a_100025702795_100000210592 [0,2,0,0,0,0|1,0,1]=4 20322 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [0,2,0,0,0,0|0,0,1]=3 20323 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [0,2,0,0,0,0|0,0,1]=3 20324 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [0,2,0,0,0,0|0,0,1]=3 20325 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [0,2,0,0,0,0|0,0,1]=3 20326 B13R0.336 CCCCCCCCC=NNCCC 4a_100000740057_100011218696 [0,2,0,0,0,0|1,0,1]=4 20327 B13R0.336 CCCCCCCCC=NNCCO 4a_100000210001_100011218696 [0,2,0,0,0,0|0,0,1]=3 20328 B13R0.336 CCCCCCCCCC=NNCC 4a_100000756455_100000210895 [0,2,0,0,0,0|1,0,1]=4 20329 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [0,2,0,0,0,0|1,0,0]=3 20330 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [0,2,0,0,0,0|1,0,0]=3 20331 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [0,2,0,0,0,0|1,0,0]=3 20332 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [0,2,0,0,0,0|1,0,0]=3 20333 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [0,2,0,0,0,0|1,0,0]=3 20334 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [0,2,0,0,0,0|1,0,0]=3 20335 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [0,2,0,0,0,0|1,0,0]=3 20336 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [0,2,0,0,0,0|1,0,0]=3 20337 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [0,2,0,0,0,0|0,0,0]=2 20338 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [0,2,0,0,0,0|0,0,0]=2 20339 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [0,2,0,0,0,0|0,0,0]=2 20340 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [0,2,0,0,0,0|0,0,0]=2 20341 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [0,2,0,0,0,0|0,0,0]=2 20342 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [0,2,0,0,0,0|0,1,0]=3 20343 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [0,2,0,0,0,0|0,1,0]=3 20344 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [0,2,0,0,0,0|1,0,0]=3 20345 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [0,2,0,0,0,0|1,0,0]=3 20346 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [0,2,0,0,0,0|1,0,0]=3 20347 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [0,2,0,0,0,0|1,0,0]=3 20348 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [0,2,0,0,0,0|0,0,0]=2 20349 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [0,2,0,0,0,0|0,0,0]=2 20350 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [0,2,0,0,0,0|0,0,0]=2 20351 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [0,2,0,0,0,0|0,0,0]=2 20352 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [0,2,0,0,0,0|0,0,0]=2 20353 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [0,2,0,0,0,0|0,1,0]=3 20354 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [0,2,0,0,0,0|0,1,0]=3 20355 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [0,2,0,0,0,0|1,0,0]=3 20356 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [0,2,0,0,0,0|0,0,1]=3 20357 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [0,2,0,0,0,0|0,0,1]=3 20358 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [0,2,0,0,0,0|1,0,0]=3 20359 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [0,2,0,0,0,0|1,0,0]=3 20360 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [0,2,0,0,0,0|1,0,0]=3 20361 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [0,2,0,0,0,0|1,0,0]=3 20362 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [0,2,0,0,0,0|1,0,0]=3 20363 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [0,2,0,0,0,0|0,0,0]=2 20364 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [0,2,0,0,0,0|0,0,0]=2 20365 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [0,2,0,0,0,0|0,0,0]=2 20366 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [0,2,0,0,0,0|0,0,0]=2 20367 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [0,2,0,0,0,0|0,0,0]=2 20368 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [0,2,0,0,0,0|0,1,0]=3 20369 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [0,2,0,0,0,0|0,1,0]=3 20370 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [0,2,0,0,0,0|1,0,0]=3 20371 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [0,2,0,0,0,0|0,0,1]=3 20372 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [0,2,0,0,0,0|0,0,1]=3 20373 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [0,2,0,0,0,0|1,0,0]=3 20374 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [0,2,0,0,0,0|1,0,0]=3 20375 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [0,2,0,0,0,0|1,0,0]=3 20376 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [0,2,0,0,0,0|1,0,0]=3 20377 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [0,2,0,0,0,0|1,0,0]=3 20378 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [0,2,0,0,0,0|1,0,0]=3 20379 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [0,2,0,0,0,0|1,0,0]=3 20380 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [0,2,0,0,0,0|0,0,0]=2 20381 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [0,2,0,0,0,0|0,0,0]=2 20382 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [0,2,0,0,0,0|0,1,0]=3 20383 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [0,2,0,0,0,0|1,0,0]=3 20384 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [0,2,0,0,0,0|0,0,1]=3 20385 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [0,2,0,0,0,0|1,0,0]=3 20386 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [0,2,0,0,0,0|1,0,0]=3 20387 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [0,2,0,0,0,0|0,0,0]=2 20388 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [0,2,0,0,0,0|0,0,0]=2 20389 B13R0.336 CCCCCCCCCCSCSC 62a_100011218213_100000210320 [0,2,0,0,0,0|0,1,0]=3 20390 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [0,2,0,0,0,0|1,0,0]=3 20391 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [0,2,0,0,0,0|1,0,0]=3 20392 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [0,2,0,0,0,0|1,0,0]=3 20393 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [0,2,0,0,0,0|1,0,0]=3 20394 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [0,2,0,0,0,0|1,0,0]=3 20395 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [0,2,0,0,0,0|1,0,0]=3 20396 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [0,2,0,0,0,0|1,0,0]=3 20397 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [0,2,0,0,0,0|1,0,0]=3 20398 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [0,2,0,0,0,0|1,0,0]=3 20399 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [0,2,0,0,0,0|0,0,0]=2 20400 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [0,2,0,0,0,0|0,0,0]=2 20401 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [0,2,0,0,0,0|0,0,0]=2 20402 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [0,2,0,0,0,0|0,0,0]=2 20403 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [0,2,0,0,0,0|0,0,0]=2 20404 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [0,2,0,0,0,0|0,1,0]=3 20405 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [0,2,0,0,0,0|0,1,0]=3 20406 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [0,2,0,0,0,0|0,1,0]=3 20407 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [0,2,0,0,0,0|1,0,0]=3 20408 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [0,2,0,0,0,0|1,0,0]=3 20409 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [0,2,0,0,0,0|1,0,0]=3 20410 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [0,2,0,0,0,0|1,0,0]=3 20411 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [0,2,0,0,0,0|1,0,0]=3 20412 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [0,2,0,0,0,0|1,0,0]=3 20413 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [0,2,0,0,0,0|1,0,0]=3 20414 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [0,2,0,0,0,0|1,0,0]=3 20415 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [0,2,0,0,0,0|1,0,0]=3 20416 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [0,2,0,0,0,0|1,0,0]=3 20417 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [0,2,0,0,0,0|1,0,0]=3 20418 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [0,2,0,0,0,0|0,0,0]=2 20419 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [0,2,0,0,0,0|0,0,0]=2 20420 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,2,0,0,0,0|0,0,0]=2 20421 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,2,0,0,0,0|0,0,0]=2 20422 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,2,0,0,0,0|0,0,0]=2 20423 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [0,2,0,0,0,0|0,0,0]=2 20424 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [0,2,0,0,0,0|0,1,0]=3 20425 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [0,2,0,0,0,0|0,1,0]=3 20426 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [0,2,0,0,0,0|0,1,0]=3 20427 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [0,2,0,0,0,0|0,1,0]=3 20428 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [0,2,0,0,0,0|1,0,0]=3 20429 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [0,2,0,0,0,0|1,0,0]=3 20430 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [0,2,0,0,0,0|1,0,0]=3 20431 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [0,2,0,0,0,0|0,0,0]=2 20432 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [0,2,0,0,0,0|0,0,0]=2 20433 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [0,2,0,0,0,0|0,1,0]=3 20434 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [0,2,0,0,0,0|1,0,0]=3 20435 B13R0.336 CCCCCCCCCSCSC#N 62a_100000211825_100000210670 [0,2,0,0,0,0|1,0,1]=4 20436 B13R0.336 CCCCCCCCNCC#CCO 2230a_100000229939_200000047223 [0,2,0,0,0,0|0,0,1]=3 20437 B13R0.336 CCCCCCCCNCC#CCO 34a_100000229939_200000047223 [0,2,0,0,0,0|0,0,1]=3 20438 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [0,2,0,0,0,0|1,0,0]=3 20439 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [0,2,0,0,0,0|0,0,1]=3 20440 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [0,2,0,0,0,0|1,0,0]=3 20441 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [0,2,0,0,0,0|1,0,0]=3 20442 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [0,2,0,0,0,0|1,0,0]=3 20443 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [0,2,0,0,0,0|1,0,0]=3 20444 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [0,2,0,0,0,0|1,0,0]=3 20445 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [0,2,0,0,0,0|0,0,0]=2 20446 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [0,2,0,0,0,0|0,0,0]=2 20447 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [0,2,0,0,0,0|0,0,0]=2 20448 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [0,2,0,0,0,0|0,0,0]=2 20449 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [0,2,0,0,0,0|0,0,0]=2 20450 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [0,2,0,0,0,0|0,0,0]=2 20451 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [0,2,0,0,0,0|0,0,0]=2 20452 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [0,2,0,0,0,0|0,1,0]=3 20453 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [0,2,0,0,0,0|1,0,0]=3 20454 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [0,2,0,0,0,0|1,0,0]=3 20455 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [0,2,0,0,0,0|1,0,0]=3 20456 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [0,2,0,0,0,0|1,0,0]=3 20457 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [0,2,0,0,0,0|1,0,0]=3 20458 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [0,2,0,0,0,0|1,0,0]=3 20459 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [0,2,0,0,0,0|1,0,0]=3 20460 B13R0.336 CCCCCCCCOCC#CCCl 34a_200000047223_100000210759 [0,2,0,0,0,0|1,0,1]=4 20461 B13R0.336 CCCCCCCCOCC#CCO 34a_100000210232_200000047223 [0,2,0,0,0,0|0,0,1]=3 20462 B13R0.336 CCCCCCCCOCC#CCO 7a_100000210232_200000047223 [0,2,0,0,0,0|0,0,1]=3 20463 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [0,2,0,0,0,0|1,0,0]=3 20464 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [0,2,0,0,0,0|0,0,1]=3 20465 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [0,2,0,0,0,0|1,0,0]=3 20466 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [0,2,0,0,0,0|1,0,0]=3 20467 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [0,2,0,0,0,0|1,0,0]=3 20468 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [0,2,0,0,0,0|1,0,0]=3 20469 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [0,2,0,0,0,0|1,0,0]=3 20470 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [0,2,0,0,0,0|1,0,0]=3 20471 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [0,2,0,0,0,0|1,0,0]=3 20472 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [0,2,0,0,0,0|1,0,0]=3 20473 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [0,2,0,0,0,0|1,0,0]=3 20474 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [0,2,0,0,0,0|1,0,0]=3 20475 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [0,2,0,0,0,0|1,0,0]=3 20476 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [0,2,0,0,0,0|1,0,0]=3 20477 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [0,2,0,0,0,0|1,0,0]=3 20478 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [0,2,0,0,0,0|0,0,0]=2 20479 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [0,2,0,0,0,0|0,0,0]=2 20480 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [0,2,0,0,0,0|1,0,0]=3 20481 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,2,0,0,0,0|0,0,0]=2 20482 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,2,0,0,0,0|0,0,0]=2 20483 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,2,0,0,0,0|0,0,0]=2 20484 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [0,2,0,0,0,0|0,1,0]=3 20485 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [0,2,0,0,0,0|0,1,0]=3 20486 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [0,2,0,0,0,0|1,0,0]=3 20487 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [0,2,0,0,0,0|1,0,0]=3 20488 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [0,2,0,0,0,0|1,0,0]=3 20489 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [0,2,0,0,0,0|1,0,0]=3 20490 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [0,2,0,0,0,0|1,0,0]=3 20491 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [0,2,0,0,0,0|1,0,0]=3 20492 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [0,2,0,0,0,0|1,0,0]=3 20493 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [0,2,0,0,0,0|1,0,0]=3 20494 B13R0.336 CCCCCCCCSCC#CCO 62a_100000210759_200000047223 [0,2,0,0,0,0|0,0,1]=3 20495 B13R0.336 CCCCCCCCSCC#CCO 62a_200000047223_100000210317 [0,2,0,0,0,0|0,0,1]=3 20496 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [0,2,0,0,0,0|1,0,0]=3 20497 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [0,2,0,0,0,0|1,0,0]=3 20498 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [0,2,0,0,0,0|0,0,1]=3 20499 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [0,2,0,0,0,0|0,0,1]=3 20500 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [0,2,0,0,0,0|1,0,0]=3 20501 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [0,2,0,0,0,0|1,0,0]=3 20502 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [0,2,0,0,0,0|1,0,0]=3 20503 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [0,2,0,0,0,0|1,0,0]=3 20504 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [0,2,0,0,0,0|0,0,0]=2 20505 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [0,2,0,0,0,0|0,0,0]=2 20506 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [0,2,0,0,0,0|0,0,0]=2 20507 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [0,2,0,0,0,0|0,0,0]=2 20508 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [0,2,0,0,0,0|1,0,0]=3 20509 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [0,2,0,0,0,0|1,0,0]=3 20510 B13R0.336 CCCCCCCCSCCSC#N 62a_100000034367_100000210317 [0,2,0,0,0,0|1,0,1]=4 20511 B13R0.336 CCCCCCCCSCCSC#N 62a_100000210759_100000034367 [0,2,0,0,0,0|1,0,1]=4 20512 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [0,2,0,0,0,0|1,0,0]=3 20513 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [0,2,0,0,0,0|1,0,0]=3 20514 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [0,2,0,0,0,0|1,0,0]=3 20515 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [0,2,0,0,0,0|0,0,1]=3 20516 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [0,2,0,0,0,0|1,0,0]=3 20517 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [0,2,0,0,0,0|1,0,0]=3 20518 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [0,2,0,0,0,0|1,0,0]=3 20519 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [0,2,0,0,0,0|0,0,0]=2 20520 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [0,2,0,0,0,0|0,0,0]=2 20521 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [0,2,0,0,0,0|0,0,0]=2 20522 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [0,2,0,0,0,0|0,0,0]=2 20523 B13R0.336 CCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210681 [0,2,0,0,0,0|2,0,0]=4 20524 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [0,2,0,0,0,0|1,0,0]=3 20525 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [0,2,0,0,0,0|1,0,0]=3 20526 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [0,2,0,0,0,0|1,0,0]=3 20527 B13R0.336 CCCCCCCNCCOCC#N 2230a_100000229938_200000047693 [0,2,0,0,0,0|1,0,1]=4 20528 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [0,2,0,0,0,0|1,0,0]=3 20529 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [0,2,0,0,0,0|1,0,0]=3 20530 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [0,2,0,0,0,0|1,0,0]=3 20531 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [0,2,0,0,0,0|0,0,0]=2 20532 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [0,2,0,0,0,0|0,0,0]=2 20533 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [0,2,0,0,0,0|0,0,0]=2 20534 B13R0.336 CCCCCCCNCCSCCC 2230a_100020603323_100000210681 [0,2,0,0,0,0|1,0,0]=3 20535 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [0,2,0,0,0,0|0,0,0]=2 20536 B13R0.336 CCCCCCCNCOCCCC 2230a_100000229938_100011995733 [0,2,0,0,0,0|1,0,0]=3 20537 B13R0.336 CCCCCCCNCOCCOC 2230a_100000229938_100000231047 [0,2,0,0,0,0|1,0,0]=3 20538 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [0,2,0,0,0,0|1,0,0]=3 20539 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [0,2,0,0,0,0|0,0,1]=3 20540 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [0,2,0,0,0,0|1,0,0]=3 20541 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [0,2,0,0,0,0|1,0,0]=3 20542 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [0,2,0,0,0,0|1,0,0]=3 20543 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [0,2,0,0,0,0|1,0,0]=3 20544 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [0,2,0,0,0,0|1,0,0]=3 20545 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [0,2,0,0,0,0|1,0,0]=3 20546 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [0,2,0,0,0,0|1,0,0]=3 20547 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [0,2,0,0,0,0|1,0,0]=3 20548 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [0,2,0,0,0,0|1,0,0]=3 20549 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [0,2,0,0,0,0|1,0,0]=3 20550 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [0,2,0,0,0,0|1,0,0]=3 20551 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [0,2,0,0,0,0|1,0,0]=3 20552 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [0,2,0,0,0,0|1,0,0]=3 20553 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [0,2,0,0,0,0|0,0,0]=2 20554 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [0,2,0,0,0,0|0,0,0]=2 20555 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,2,0,0,0,0|0,0,0]=2 20556 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,2,0,0,0,0|0,0,0]=2 20557 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,2,0,0,0,0|0,0,0]=2 20558 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [0,2,0,0,0,0|0,1,0]=3 20559 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [0,2,0,0,0,0|0,1,0]=3 20560 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [0,2,0,0,0,0|1,0,0]=3 20561 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [0,2,0,0,0,0|1,0,0]=3 20562 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [0,2,0,0,0,0|1,0,0]=3 20563 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [0,2,0,0,0,0|1,0,0]=3 20564 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [0,2,0,0,0,0|1,0,0]=3 20565 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [0,2,0,0,0,0|1,0,0]=3 20566 B13R0.336 CCCCCCCOCCOCC#N 7a_100000210272_200000047693 [0,2,0,0,0,0|1,0,1]=4 20567 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [0,2,0,0,0,0|1,0,0]=3 20568 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [0,2,0,0,0,0|1,0,0]=3 20569 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [0,2,0,0,0,0|1,0,0]=3 20570 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [0,2,0,0,0,0|1,0,0]=3 20571 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [0,2,0,0,0,0|1,0,0]=3 20572 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [0,2,0,0,0,0|1,0,0]=3 20573 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [0,2,0,0,0,0|1,0,0]=3 20574 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [0,2,0,0,0,0|1,0,0]=3 20575 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [0,2,0,0,0,0|1,0,0]=3 20576 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [0,2,0,0,0,0|1,0,0]=3 20577 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [0,2,0,0,0,0|1,0,0]=3 20578 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [0,2,0,0,0,0|1,0,0]=3 20579 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [0,2,0,0,0,0|1,0,0]=3 20580 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,2,0,0,0,0|0,0,0]=2 20581 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,2,0,0,0,0|0,0,0]=2 20582 B13R0.336 CCCCCCCOCCSCCC 34a_200000230433_100000210614 [0,2,0,0,0,0|1,0,0]=3 20583 B13R0.336 CCCCCCCOCCSCCC 7a_200000230433_100000210614 [0,2,0,0,0,0|1,0,0]=3 20584 B13R0.336 CCCCCCCOCOCCCC 34a_100000210272_100011995733 [0,2,0,0,0,0|1,0,0]=3 20585 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [0,2,0,0,0,0|1,0,0]=3 20586 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [0,2,0,0,0,0|1,0,0]=3 20587 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [0,2,0,0,0,0|0,0,1]=3 20588 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [0,2,0,0,0,0|0,0,1]=3 20589 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [0,2,0,0,0,0|1,0,0]=3 20590 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [0,2,0,0,0,0|1,0,0]=3 20591 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [0,2,0,0,0,0|1,0,0]=3 20592 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [0,2,0,0,0,0|1,0,0]=3 20593 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [0,2,0,0,0,0|0,0,0]=2 20594 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [0,2,0,0,0,0|0,0,0]=2 20595 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [0,2,0,0,0,0|0,0,0]=2 20596 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [0,2,0,0,0,0|0,0,0]=2 20597 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [0,2,0,0,0,0|1,0,0]=3 20598 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [0,2,0,0,0,0|1,0,0]=3 20599 B13R0.336 CCCCCCCSCCOCC#N 62a_100000210614_200000047693 [0,2,0,0,0,0|1,0,1]=4 20600 B13R0.336 CCCCCCCSCCOCC#N 62a_200000047693_100000210316 [0,2,0,0,0,0|1,0,1]=4 20601 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [0,2,0,0,0,0|1,0,0]=3 20602 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [0,2,0,0,0,0|1,0,0]=3 20603 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [0,2,0,0,0,0|0,0,0]=2 20604 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [0,2,0,0,0,0|0,0,0]=2 20605 B13R0.336 CCCCCCCSCOCCCC 62a_100000210614_100011995733 [0,2,0,0,0,0|1,0,0]=3 20606 B13R0.336 CCCCCCCSCOCCCC 62a_100011995733_100000210316 [0,2,0,0,0,0|1,0,0]=3 20607 B13R0.336 CCCCCCCSCOCCOC 62a_100000210614_100000231047 [0,2,0,0,0,0|1,0,0]=3 20608 B13R0.336 CCCCCCCSCOCCOC 62a_100000231047_100000210316 [0,2,0,0,0,0|1,0,0]=3 20609 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [0,2,0,0,0,0|1,0,0]=3 20610 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [0,2,0,0,0,0|0,0,1]=3 20611 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [0,2,0,0,0,0|1,0,0]=3 20612 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [0,2,0,0,0,0|0,0,0]=2 20613 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [0,2,0,0,0,0|0,0,0]=2 20614 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [0,2,0,0,0,0|0,0,0]=2 20615 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [0,2,0,0,0,0|0,0,0]=2 20616 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [0,2,0,0,0,0|0,0,0]=2 20617 B13R0.336 CCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210314 [0,2,0,0,0,0|2,0,0]=4 20618 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [0,2,0,0,0,0|1,0,0]=3 20619 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [0,2,0,0,0,0|1,0,0]=3 20620 B13R0.336 CCCCCCNCCOCCCC 2230a_100000210581_100000743108 [0,2,0,0,0,0|1,0,0]=3 20621 B13R0.336 CCCCCCNCCOCCOC 2230a_100000210581_100000695917 [0,2,0,0,0,0|1,0,0]=3 20622 B13R0.336 CCCCCCNCCOCCOC 2230a_100000745349_100000210314 [0,2,0,0,0,0|1,0,0]=3 20623 B13R0.336 CCCCCCNCCOCCOC 34a_100000745349_100000210314 [0,2,0,0,0,0|1,0,0]=3 20624 B13R0.336 CCCCCCNCCSCCCC 2230a_100025743550_100000210314 [0,2,0,0,0,0|1,0,0]=3 20625 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [0,2,0,0,0,0|1,0,0]=3 20626 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [0,2,0,0,0,0|0,0,1]=3 20627 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [0,2,0,0,0,0|1,0,0]=3 20628 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [0,2,0,0,0,0|1,0,0]=3 20629 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [0,2,0,0,0,0|1,0,0]=3 20630 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [0,2,0,0,0,0|1,0,0]=3 20631 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [0,2,0,0,0,0|1,0,0]=3 20632 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [0,2,0,0,0,0|1,0,0]=3 20633 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [0,2,0,0,0,0|1,0,0]=3 20634 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [0,2,0,0,0,0|1,0,0]=3 20635 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [0,2,0,0,0,0|1,0,0]=3 20636 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [0,2,0,0,0,0|0,0,0]=2 20637 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [0,2,0,0,0,0|0,0,0]=2 20638 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [0,2,0,0,0,0|1,0,0]=3 20639 B13R0.336 CCCCCCOCCOCCC#N 7a_100000691444_100000184422 [0,2,0,0,0,0|1,0,1]=4 20640 B13R0.336 CCCCCCOCCOCCCC 34a_100000210238_100000210314 [0,2,0,0,0,0|1,0,0]=3 20641 B13R0.336 CCCCCCOCCOCCCC 34a_100000210259_100000743108 [0,2,0,0,0,0|1,0,0]=3 20642 B13R0.336 CCCCCCOCCOCCCC 34a_100000691444_100000210210 [0,2,0,0,0,0|1,0,0]=3 20643 B13R0.336 CCCCCCOCCOCCCC 7a_100000210238_100000210314 [0,2,0,0,0,0|1,0,0]=3 20644 B13R0.336 CCCCCCOCCOCCCC 7a_100000210259_100000743108 [0,2,0,0,0,0|1,0,0]=3 20645 B13R0.336 CCCCCCOCCOCCCC 7a_100000691444_100000210211 [0,2,0,0,0,0|1,0,0]=3 20646 B13R0.336 CCCCCCOCCOCCCF 34a_100000691444_100011934791 [0,2,0,0,0,0|1,0,0]=3 20647 B13R0.336 CCCCCCOCCOCCCF 7a_100000691444_100011934791 [0,2,0,0,0,0|1,0,0]=3 20648 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [0,2,0,0,0,0|0,0,0]=2 20649 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [0,2,0,0,0,0|0,0,0]=2 20650 B13R0.336 CCCCCCOCCOCCNC 34a_100000228057_100000210314 [0,2,0,0,0,0|2,0,0]=4 20651 B13R0.336 CCCCCCOCCOCCOC 34a_100000032842_200000210301 [0,2,0,0,0,0|1,0,0]=3 20652 B13R0.336 CCCCCCOCCOCCOC 34a_100000210259_100000695917 [0,2,0,0,0,0|1,0,0]=3 20653 B13R0.336 CCCCCCOCCOCCOC 34a_100000691444_100011201679 [0,2,0,0,0,0|1,0,0]=3 20654 B13R0.336 CCCCCCOCCOCCOC 34a_100011215163_100000210314 [0,2,0,0,0,0|1,0,0]=3 20655 B13R0.336 CCCCCCOCCOCCOC 7a_100000032842_200000210301 [0,2,0,0,0,0|1,0,0]=3 20656 B13R0.336 CCCCCCOCCOCCOC 7a_100000210259_100000695917 [0,2,0,0,0,0|1,0,0]=3 20657 B13R0.336 CCCCCCOCCOCCOC 7a_100000691444_100000233755 [0,2,0,0,0,0|1,0,0]=3 20658 B13R0.336 CCCCCCOCCOCCOC 7a_100011215163_100000210314 [0,2,0,0,0,0|1,0,0]=3 20659 B13R0.336 CCCCCCOCCOCCO[13CH3] 34a_100000032842_200025704644 [0,2,0,0,0,0|1,0,0]=3 20660 B13R0.336 CCCCCCOCCOCCO[13CH3] 7a_100000032842_200025704644 [0,2,0,0,0,0|1,0,0]=3 20661 B13R0.336 CCCCCCOCCOCCSC 34a_100000691444_100000212216 [0,2,0,0,0,0|1,1,0]=4 20662 B13R0.336 CCCCCCOCCOCCSC 7a_100000691444_100000212216 [0,2,0,0,0,0|1,1,0]=4 20663 B13R0.336 CCCCCCOCCSCCCC 34a_200000230436_100000210314 [0,2,0,0,0,0|1,0,0]=3 20664 B13R0.336 CCCCCCOCCSCCCC 7a_200000230436_100000210314 [0,2,0,0,0,0|1,0,0]=3 20665 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [0,2,0,0,0,0|1,0,0]=3 20666 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [0,2,0,0,0,0|1,0,0]=3 20667 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [0,2,0,0,0,0|0,0,1]=3 20668 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [0,2,0,0,0,0|0,0,1]=3 20669 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [0,2,0,0,0,0|1,0,0]=3 20670 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [0,2,0,0,0,0|1,0,0]=3 20671 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [0,2,0,0,0,0|0,0,0]=2 20672 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [0,2,0,0,0,0|0,0,0]=2 20673 B13R0.336 CCCCCCSCCOCCCC 62a_100000210314_100000743108 [0,2,0,0,0,0|1,0,0]=3 20674 B13R0.336 CCCCCCSCCOCCCC 62a_100000743108_100000210757 [0,2,0,0,0,0|1,0,0]=3 20675 B13R0.336 CCCCCCSCCOCCOC 62a_100000210314_100000695917 [0,2,0,0,0,0|1,0,0]=3 20676 B13R0.336 CCCCCCSCCOCCOC 62a_100000695917_100000210757 [0,2,0,0,0,0|1,0,0]=3 20677 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [0,2,0,0,0,0|1,0,0]=3 20678 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [0,2,0,0,0,0|0,0,0]=2 20679 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [0,2,0,0,0,0|0,0,0]=2 20680 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [0,2,0,0,0,0|0,0,0]=2 20681 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [0,2,0,0,0,0|0,0,0]=2 20682 B13R0.336 CCCCCNCCCOCCCC 2230a_200000211371_100000210326 [0,2,0,0,0,0|1,0,0]=3 20683 B13R0.336 CCCCCNCCCOCCCC 34a_200000211371_100000718602 [0,2,0,0,0,0|1,0,0]=3 20684 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [0,2,0,0,0,0|0,0,0]=2 20685 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [0,2,0,0,0,0|0,0,0]=2 20686 B13R0.336 CCCCCNCCCOCCOC 2230a_100000206027_100000210326 [0,2,0,0,0,0|1,0,0]=3 20687 B13R0.336 CCCCCNCCCOCCOC 2230a_100000209983_100011216529 [0,2,0,0,0,0|1,0,0]=3 20688 B13R0.336 CCCCCNCCCOCCOC 34a_100000206027_100000718602 [0,2,0,0,0,0|1,0,0]=3 20689 B13R0.336 CCCCCNCCOCC#CCO 34a_100000224656_200000047223 [0,2,0,0,0,0|0,0,2]=4 20690 B13R0.336 CCCCCNCCOCCCCC 34a_100000224656_100000718602 [0,2,0,0,0,0|1,0,0]=3 20691 B13R0.336 CCCCCNCCOCCCCF 34a_100000224656_100000729493 [0,2,0,0,0,0|1,0,0]=3 20692 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [0,2,0,0,0,0|0,0,0]=2 20693 B13R0.336 CCCCCNCCOCCCOC 34a_100000224656_100000740836 [0,2,0,0,0,0|1,0,0]=3 20694 B13R0.336 CCCCCNCCOCCOCC 2230a_100000209983_100011211534 [0,2,0,0,0,0|2,0,0]=4 20695 B13R0.336 CCCCCNCCOCCOCC 2230a_100102712874_100000210326 [0,2,0,0,0,0|2,0,0]=4 20696 B13R0.336 CCCCCNCCOCCOCC 34a_100000224656_100000210147 [0,2,0,0,0,0|2,0,0]=4 20697 B13R0.336 CCCCCNCCOCCOCC 34a_100102712874_100000718602 [0,2,0,0,0,0|2,0,0]=4 20698 B13R0.336 CCCCCNCCOCCSCC 34a_100000224656_100000757381 [0,2,0,0,0,0|2,0,0]=4 20699 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [0,2,0,0,0,0|1,0,0]=3 20700 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [0,2,0,0,0,0|1,0,0]=3 20701 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [0,2,0,0,0,0|1,0,0]=3 20702 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [0,2,0,0,0,0|1,0,0]=3 20703 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [0,2,0,0,0,0|0,0,0]=2 20704 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [0,2,0,0,0,0|0,0,0]=2 20705 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,2,0,0,0,0|0,0,0]=2 20706 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,2,0,0,0,0|0,0,0]=2 20707 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,2,0,0,0,0|0,0,0]=2 20708 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,2,0,0,0,0|0,0,0]=2 20709 B13R0.336 CCCCCOCCCOCCCC 34a_200011215613_100000718602 [0,2,0,0,0,0|1,0,0]=3 20710 B13R0.336 CCCCCOCCCOCCCC 7a_200011215613_100000210326 [0,2,0,0,0,0|1,0,0]=3 20711 B13R0.336 CCCCCOCCCOCCCN 34a_100011310245_100000718602 [0,2,0,0,0,0|1,0,0]=3 20712 B13R0.336 CCCCCOCCCOCCOC 34a_100000210253_100011216529 [0,2,0,0,0,0|1,0,0]=3 20713 B13R0.336 CCCCCOCCCOCCOC 7a_100000210253_100011216529 [0,2,0,0,0,0|1,0,0]=3 20714 B13R0.336 CCCCCOCCOCC#CCO 34a_100011215259_200000047223 [0,2,0,0,0,0|0,0,2]=4 20715 B13R0.336 CCCCCOCCOCC#CCO 7a_100011215259_200000047223 [0,2,0,0,0,0|0,0,2]=4 20716 B13R0.336 CCCCCOCCOCCCC#N 7a_100011215259_100000687738 [0,2,0,0,0,0|1,0,1]=4 20717 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [0,2,0,0,0,0|0,0,2]=4 20718 B13R0.336 CCCCCOCCOCCCCC 34a_100011215259_100000718602 [0,2,0,0,0,0|1,0,0]=3 20719 B13R0.336 CCCCCOCCOCCCCC 7a_100011215259_100000210326 [0,2,0,0,0,0|1,0,0]=3 20720 B13R0.336 CCCCCOCCOCCCCF 34a_100011215259_100000729493 [0,2,0,0,0,0|1,0,0]=3 20721 B13R0.336 CCCCCOCCOCCCCF 7a_100011215259_100000729493 [0,2,0,0,0,0|1,0,0]=3 20722 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [0,2,0,0,0,0|0,0,0]=2 20723 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [0,2,0,0,0,0|0,0,0]=2 20724 B13R0.336 CCCCCOCCOCCCOC 34a_100011215259_100000740836 [0,2,0,0,0,0|1,0,0]=3 20725 B13R0.336 CCCCCOCCOCCCOC 7a_100011215259_100000740836 [0,2,0,0,0,0|1,0,0]=3 20726 B13R0.336 CCCCCOCCOCCOCC 34a_100000210240_100000718602 [0,2,0,0,0,0|2,0,0]=4 20727 B13R0.336 CCCCCOCCOCCOCC 34a_100000210253_100011211534 [0,2,0,0,0,0|2,0,0]=4 20728 B13R0.336 CCCCCOCCOCCOCC 34a_100011215259_100000210147 [0,2,0,0,0,0|2,0,0]=4 20729 B13R0.336 CCCCCOCCOCCOCC 7a_100000210240_100000210326 [0,2,0,0,0,0|2,0,0]=4 20730 B13R0.336 CCCCCOCCOCCOCC 7a_100000210253_100011211534 [0,2,0,0,0,0|2,0,0]=4 20731 B13R0.336 CCCCCOCCOCCOCC 7a_100011215259_100011215890 [0,2,0,0,0,0|2,0,0]=4 20732 B13R0.336 CCCCCOCCOCCSCC 34a_100011215259_100000757381 [0,2,0,0,0,0|2,0,0]=4 20733 B13R0.336 CCCCCOCCOCCSCC 7a_100011215259_100000757381 [0,2,0,0,0,0|2,0,0]=4 20734 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [0,2,0,0,0,0|1,0,0]=3 20735 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [0,2,0,0,0,0|1,0,0]=3 20736 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [0,2,0,0,0,0|0,0,0]=2 20737 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [0,2,0,0,0,0|0,0,0]=2 20738 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [0,2,0,0,0,0|0,0,0]=2 20739 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [0,2,0,0,0,0|0,0,0]=2 20740 B13R0.336 CCCCCSCCCOCCOC 62a_100000210326_100011216529 [0,2,0,0,0,0|1,0,0]=3 20741 B13R0.336 CCCCCSCCCOCCOC 62a_100011216529_100000210326 [0,2,0,0,0,0|1,0,0]=3 20742 B13R0.336 CCCCCSCCOCCOCC 62a_100000210326_100011211534 [0,2,0,0,0,0|2,0,0]=4 20743 B13R0.336 CCCCCSCCOCCOCC 62a_100011211534_100000210326 [0,2,0,0,0,0|2,0,0]=4 20744 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [0,2,0,0,0,0|0,0,0]=2 20745 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [0,2,0,0,0,0|0,0,0]=2 20746 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [0,2,0,0,0,0|0,0,0]=2 20747 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [0,2,0,0,0,0|0,0,0]=2 20748 B13R0.336 CCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210211 [0,2,0,0,0,0|2,0,0]=4 20749 B13R0.336 CCCCNCCCCOCCCC 34a_200011216965_100000210210 [0,2,0,0,0,0|1,0,0]=3 20750 B13R0.336 CCCCNCCCCOCCCF 34a_200011216965_100011934791 [0,2,0,0,0,0|1,0,0]=3 20751 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [0,2,0,0,0,0|0,0,0]=2 20752 B13R0.336 CCCCNCCCCOCCOC 34a_200011216965_100011201679 [0,2,0,0,0,0|1,0,0]=3 20753 B13R0.336 CCCCNCCCCOCCSC 34a_200011216965_100000212216 [0,2,0,0,0,0|1,1,0]=4 20754 B13R0.336 CCCCNCCOCCOCCC 2230a_200011904461_100000210211 [0,2,0,0,0,0|2,0,0]=4 20755 B13R0.336 CCCCNCCOCCOCCC 34a_200011904461_100000210210 [0,2,0,0,0,0|2,0,0]=4 20756 B13R0.336 CCCCNCCOCCOCCO 2230a_100000102301_100000032323 [0,2,0,0,0,0|1,0,0]=3 20757 B13R0.336 CCCCNCCOCCOCCO 2230a_100011998139_100000210211 [0,2,0,0,0,0|1,0,0]=3 20758 B13R0.336 CCCCNCCOCCOCCO 34a_100011998139_100000210210 [0,2,0,0,0,0|1,0,0]=3 20759 B13R0.336 CCCCNCCOCCOCCO 7a_106832991798_100000032323 [0,2,0,0,0,0|1,0,0]=3 20760 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [0,2,0,0,0,0|1,0,0]=3 20761 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [0,2,0,0,0,0|1,0,0]=3 20762 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [0,2,0,0,0,0|1,0,0]=3 20763 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [0,2,0,0,0,0|1,0,0]=3 20764 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [0,2,0,0,0,0|1,0,0]=3 20765 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [0,2,0,0,0,0|0,0,0]=2 20766 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [0,2,0,0,0,0|0,0,0]=2 20767 B13R0.336 CCCCOCCCCCNCCN 34a_103619048469_100000210210 [0,2,0,0,0,0|1,0,0]=3 20768 B13R0.336 CCCCOCCCCOCCC#N 7a_200000760531_100000184422 [0,2,0,0,0,0|1,0,1]=4 20769 B13R0.336 CCCCOCCCCOCCCC 34a_200000760531_100000210210 [0,2,0,0,0,0|1,0,0]=3 20770 B13R0.336 CCCCOCCCCOCCCC 7a_200000760531_100000210211 [0,2,0,0,0,0|1,0,0]=3 20771 B13R0.336 CCCCOCCCCOCCCF 34a_200000760531_100011934791 [0,2,0,0,0,0|1,0,0]=3 20772 B13R0.336 CCCCOCCCCOCCCF 7a_200000760531_100011934791 [0,2,0,0,0,0|1,0,0]=3 20773 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [0,2,0,0,0,0|0,0,0]=2 20774 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [0,2,0,0,0,0|0,0,0]=2 20775 B13R0.336 CCCCOCCCCOCCOC 34a_200000760531_100011201679 [0,2,0,0,0,0|1,0,0]=3 20776 B13R0.336 CCCCOCCCCOCCOC 7a_200000760531_100000233755 [0,2,0,0,0,0|1,0,0]=3 20777 B13R0.336 CCCCOCCCCOCCSC 34a_200000760531_100000212216 [0,2,0,0,0,0|1,1,0]=4 20778 B13R0.336 CCCCOCCCCOCCSC 7a_200000760531_100000212216 [0,2,0,0,0,0|1,1,0]=4 20779 B13R0.336 CCCCOCCCNCC#CCO 2230a_200000211371_200000047223 [0,2,0,0,0,0|0,0,2]=4 20780 B13R0.336 CCCCOCCCNCC#CCO 34a_200000211371_200000047223 [0,2,0,0,0,0|0,0,2]=4 20781 B13R0.336 CCCCOCCCNCCCC#N 2230a_200000211371_100000687738 [0,2,0,0,0,0|1,0,1]=4 20782 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [0,2,0,0,0,0|0,0,2]=4 20783 B13R0.336 CCCCOCCCNCCCCF 2230a_200000211371_100000729493 [0,2,0,0,0,0|1,0,0]=3 20784 B13R0.336 CCCCOCCCNCCCCF 34a_200000211371_100000729493 [0,2,0,0,0,0|1,0,0]=3 20785 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [0,2,0,0,0,0|0,0,0]=2 20786 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [0,2,0,0,0,0|0,0,0]=2 20787 B13R0.336 CCCCOCCCNCCCOC 2230a_200000211371_100000740836 [0,2,0,0,0,0|1,0,0]=3 20788 B13R0.336 CCCCOCCCNCCCOC 34a_200000211371_100000740836 [0,2,0,0,0,0|1,0,0]=3 20789 B13R0.336 CCCCOCCCNCCOCC 2230a_200000211371_100011215890 [0,2,0,0,0,0|2,0,0]=4 20790 B13R0.336 CCCCOCCCNCCOCC 34a_200000211371_100000210147 [0,2,0,0,0,0|2,0,0]=4 20791 B13R0.336 CCCCOCCCNCCSCC 2230a_200000211371_100000757381 [0,2,0,0,0,0|2,0,0]=4 20792 B13R0.336 CCCCOCCCNCCSCC 34a_200000211371_100000757381 [0,2,0,0,0,0|2,0,0]=4 20793 B13R0.336 CCCCOCCCOCC#CCO 34a_200011215613_200000047223 [0,2,0,0,0,0|0,0,2]=4 20794 B13R0.336 CCCCOCCCOCC#CCO 7a_200011215613_200000047223 [0,2,0,0,0,0|0,0,2]=4 20795 B13R0.336 CCCCOCCCOCCCC#N 7a_200011215613_100000687738 [0,2,0,0,0,0|1,0,1]=4 20796 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [0,2,0,0,0,0|0,0,2]=4 20797 B13R0.336 CCCCOCCCOCCCCF 34a_200011215613_100000729493 [0,2,0,0,0,0|1,0,0]=3 20798 B13R0.336 CCCCOCCCOCCCCF 7a_200011215613_100000729493 [0,2,0,0,0,0|1,0,0]=3 20799 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [0,2,0,0,0,0|0,0,0]=2 20800 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [0,2,0,0,0,0|0,0,0]=2 20801 B13R0.336 CCCCOCCCOCCCOC 34a_200011215475_100000210210 [0,2,0,0,0,0|1,0,0]=3 20802 B13R0.336 CCCCOCCCOCCCOC 34a_200011215613_100000740836 [0,2,0,0,0,0|1,0,0]=3 20803 B13R0.336 CCCCOCCCOCCCOC 7a_200011215475_100000210211 [0,2,0,0,0,0|1,0,0]=3 20804 B13R0.336 CCCCOCCCOCCCOC 7a_200011215613_100000740836 [0,2,0,0,0,0|1,0,0]=3 20805 B13R0.336 CCCCOCCCOCCOCC 34a_200011215613_100000210147 [0,2,0,0,0,0|2,0,0]=4 20806 B13R0.336 CCCCOCCCOCCOCC 7a_200011215613_100011215890 [0,2,0,0,0,0|2,0,0]=4 20807 B13R0.336 CCCCOCCCOCCSCC 34a_200011215613_100000757381 [0,2,0,0,0,0|2,0,0]=4 20808 B13R0.336 CCCCOCCCOCCSCC 7a_200011215613_100000757381 [0,2,0,0,0,0|2,0,0]=4 20809 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [0,2,0,0,0,0|0,0,0]=2 20810 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [0,2,0,0,0,0|0,0,0]=2 20811 B13R0.336 CCCCOCCNCCCOCC 2230a_100000210961_100000743108 [0,2,0,0,0,0|2,0,0]=4 20812 B13R0.336 CCCCOCCNCCCOCC 34a_100000210961_100000743108 [0,2,0,0,0,0|2,0,0]=4 20813 B13R0.336 CCCCOCCNCCOCCC 2230a_100161115042_100000743108 [0,2,0,0,0,0|2,0,0]=4 20814 B13R0.336 CCCCOCCNCCOCCC 34a_100161115042_100000743108 [0,2,0,0,0,0|2,0,0]=4 20815 B13R0.336 CCCCOCCNCCOCCO 2230a_100000211614_100000743108 [0,2,0,0,0,0|1,0,0]=3 20816 B13R0.336 CCCCOCCNCCOCCO 34a_100000211614_100000743108 [0,2,0,0,0,0|1,0,0]=3 20817 B13R0.336 CCCCOCCNCCSCCC 2230a_100020603323_100000743108 [0,2,0,0,0,0|2,0,0]=4 20818 B13R0.336 CCCCOCCNCCSCCO 2230a_100011219999_100000743108 [0,2,0,0,0,0|1,0,0]=3 20819 B13R0.336 CCCCOCCOCCCCC#N 7a_100000210238_100000211819 [0,2,0,0,0,0|1,0,1]=4 20820 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,2,0,0,0,0|0,0,2]=4 20821 B13R0.336 CCCCOCCOCCCCCBr 34a_100000746331_100000743108 [0,2,0,0,0,0|1,0,0]=3 20822 B13R0.336 CCCCOCCOCCCCCBr 7a_100000746331_100000743108 [0,2,0,0,0,0|1,0,0]=3 20823 B13R0.336 CCCCOCCOCCCCCCl 34a_100000746330_100000743108 [0,2,0,0,0,0|1,0,0]=3 20824 B13R0.336 CCCCOCCOCCCCCCl 7a_100000746330_100000743108 [0,2,0,0,0,0|1,0,0]=3 20825 B13R0.336 CCCCOCCOCCCCCF 34a_100000210238_100000729378 [0,2,0,0,0,0|1,0,0]=3 20826 B13R0.336 CCCCOCCOCCCCCF 7a_100000210238_100000729378 [0,2,0,0,0,0|1,0,0]=3 20827 B13R0.336 CCCCOCCOCCCCCI 34a_200012148887_100000743108 [0,2,0,0,0,0|1,0,0]=3 20828 B13R0.336 CCCCOCCOCCCCCI 7a_200012148887_100000743108 [0,2,0,0,0,0|1,0,0]=3 20829 B13R0.336 CCCCOCCOCCCCCN 34a_100000762737_100000743108 [0,2,0,0,0,0|1,0,0]=3 20830 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [0,2,0,0,0,0|0,0,0]=2 20831 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [0,2,0,0,0,0|0,0,0]=2 20832 B13R0.336 CCCCOCCOCCCCOC 34a_100000210238_100000755781 [0,2,0,0,0,0|1,0,0]=3 20833 B13R0.336 CCCCOCCOCCCCOC 34a_100000740925_100000743108 [0,2,0,0,0,0|1,0,0]=3 20834 B13R0.336 CCCCOCCOCCCCOC 7a_100000210238_100000730899 [0,2,0,0,0,0|1,0,0]=3 20835 B13R0.336 CCCCOCCOCCCCSC 34a_100011217163_100000743108 [0,2,0,0,0,0|1,1,0]=4 20836 B13R0.336 CCCCOCCOCCCCSC 7a_100011217163_100000743108 [0,2,0,0,0,0|1,1,0]=4 20837 B13R0.336 CCCCOCCOCCCOCC 34a_100000210238_100012232248 [0,2,0,0,0,0|2,0,0]=4 20838 B13R0.336 CCCCOCCOCCCOCC 34a_100000757476_100000743108 [0,2,0,0,0,0|2,0,0]=4 20839 B13R0.336 CCCCOCCOCCCOCC 7a_100000210238_100012232248 [0,2,0,0,0,0|2,0,0]=4 20840 B13R0.336 CCCCOCCOCCCOCC 7a_100000757476_100000743108 [0,2,0,0,0,0|2,0,0]=4 20841 B13R0.336 CCCCOCCOCCCSCC 34a_100011216438_100000743108 [0,2,0,0,0,0|2,0,0]=4 20842 B13R0.336 CCCCOCCOCCCSCC 7a_100011216438_100000743108 [0,2,0,0,0,0|2,0,0]=4 20843 B13R0.336 CCCCOCCOCCOCCBr 34a_100000692535_100000743108 [0,2,0,0,0,0|2,0,0]=4 20844 B13R0.336 CCCCOCCOCCOCCBr 34a_100010132937_100000210210 [0,2,0,0,0,0|2,0,0]=4 20845 B13R0.336 CCCCOCCOCCOCCBr 7a_100000692535_100000743108 [0,2,0,0,0,0|2,0,0]=4 20846 B13R0.336 CCCCOCCOCCOCCBr 7a_100010132937_100000210211 [0,2,0,0,0,0|2,0,0]=4 20847 B13R0.336 CCCCOCCOCCOCCC 34a_100000210238_100011215938 [0,2,0,0,0,0|2,0,0]=4 20848 B13R0.336 CCCCOCCOCCOCCC 34a_100000752267_100000743108 [0,2,0,0,0,0|2,0,0]=4 20849 B13R0.336 CCCCOCCOCCOCCC 34a_100011215186_100000210303 [0,2,0,0,0,0|2,0,0]=4 20850 B13R0.336 CCCCOCCOCCOCCC 7a_100000210238_100011215938 [0,2,0,0,0,0|2,0,0]=4 20851 B13R0.336 CCCCOCCOCCOCCC 7a_100000752267_100000743108 [0,2,0,0,0,0|2,0,0]=4 20852 B13R0.336 CCCCOCCOCCOCCC 7a_100011215186_100000210303 [0,2,0,0,0,0|2,0,0]=4 20853 B13R0.336 CCCCOCCOCCOCCCl 34a_100000032323_100000210210 [0,2,0,0,0,0|2,0,0]=4 20854 B13R0.336 CCCCOCCOCCOCCCl 34a_100011215305_100000743108 [0,2,0,0,0,0|2,0,0]=4 20855 B13R0.336 CCCCOCCOCCOCCCl 7a_100000032323_100000210211 [0,2,0,0,0,0|2,0,0]=4 20856 B13R0.336 CCCCOCCOCCOCCCl 7a_100011215305_100000743108 [0,2,0,0,0,0|2,0,0]=4 20857 B13R0.336 CCCCOCCOCCOCCF 34a_100011215186_100011217306 [0,2,0,0,0,0|2,0,0]=4 20858 B13R0.336 CCCCOCCOCCOCCF 34a_200015357709_100000743108 [0,2,0,0,0,0|2,0,0]=4 20859 B13R0.336 CCCCOCCOCCOCCF 7a_100011215186_100011217306 [0,2,0,0,0,0|2,0,0]=4 20860 B13R0.336 CCCCOCCOCCOCCF 7a_200015357709_100000743108 [0,2,0,0,0,0|2,0,0]=4 20861 B13R0.336 CCCCOCCOCCOCCI 34a_100012149058_100000743108 [0,2,0,0,0,0|2,0,0]=4 20862 B13R0.336 CCCCOCCOCCOCCI 7a_100012149058_100000743108 [0,2,0,0,0,0|2,0,0]=4 20863 B13R0.336 CCCCOCCOCCOCCN 34a_100000211614_100000743108 [0,2,0,0,0,0|2,0,0]=4 20864 B13R0.336 CCCCOCCOCCOCCN 34a_100011998139_100000210210 [0,2,0,0,0,0|2,0,0]=4 20865 B13R0.336 CCCCOCCOCCOCCO 34a_100000210227_100000032323 [0,2,0,0,0,0|1,0,0]=3 20866 B13R0.336 CCCCOCCOCCOCCO 34a_100000210238_100000692535 [0,2,0,0,0,0|1,0,0]=3 20867 B13R0.336 CCCCOCCOCCOCCO 34a_100011215186_100000211926 [0,2,0,0,0,0|1,0,0]=3 20868 B13R0.336 CCCCOCCOCCOCCO 7a_100000210227_100000032323 [0,2,0,0,0,0|1,0,0]=3 20869 B13R0.336 CCCCOCCOCCOCCO 7a_100000210238_100011215305 [0,2,0,0,0,0|1,0,0]=3 20870 B13R0.336 CCCCOCCOCCOCCO 7a_100011215186_100000211926 [0,2,0,0,0,0|1,0,0]=3 20871 B13R0.336 CCCCOCCOCCSCCC 34a_200000230433_100000743108 [0,2,0,0,0,0|2,0,0]=4 20872 B13R0.336 CCCCOCCOCCSCCC 7a_200000230433_100000743108 [0,2,0,0,0,0|2,0,0]=4 20873 B13R0.336 CCCCOCCOCOCCCC 34a_100000210238_100011995733 [0,2,0,0,0,0|2,0,0]=4 20874 B13R0.336 CCCCOCCSCCCCC#N 62a_100000743108_100000211819 [0,2,0,0,0,0|1,0,1]=4 20875 B13R0.336 CCCCOCCSCCCCC#N 62a_100011219923_100000743108 [0,2,0,0,0,0|1,0,1]=4 20876 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [0,2,0,0,0,0|0,0,2]=4 20877 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [0,2,0,0,0,0|0,0,2]=4 20878 B13R0.336 CCCCOCCSCCCCCF 62a_100000729378_100000743108 [0,2,0,0,0,0|1,0,0]=3 20879 B13R0.336 CCCCOCCSCCCCCF 62a_100000743108_100000729378 [0,2,0,0,0,0|1,0,0]=3 20880 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [0,2,0,0,0,0|0,0,0]=2 20881 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [0,2,0,0,0,0|0,0,0]=2 20882 B13R0.336 CCCCOCCSCCCCOC 62a_100000730899_100000743108 [0,2,0,0,0,0|1,0,0]=3 20883 B13R0.336 CCCCOCCSCCCCOC 62a_100000743108_100000730899 [0,2,0,0,0,0|1,0,0]=3 20884 B13R0.336 CCCCOCCSCCCOCC 62a_100000743108_100012232248 [0,2,0,0,0,0|2,0,0]=4 20885 B13R0.336 CCCCOCCSCCCOCC 62a_100012232248_100000743108 [0,2,0,0,0,0|2,0,0]=4 20886 B13R0.336 CCCCOCCSCCOCCC 62a_100000743108_100011215938 [0,2,0,0,0,0|2,0,0]=4 20887 B13R0.336 CCCCOCCSCCOCCC 62a_100011215938_100000743108 [0,2,0,0,0,0|2,0,0]=4 20888 B13R0.336 CCCCOCCSCCOCCO 62a_100000743108_100011215305 [0,2,0,0,0,0|1,0,0]=3 20889 B13R0.336 CCCCOCCSCCOCCO 62a_100011215305_100000743108 [0,2,0,0,0,0|1,0,0]=3 20890 B13R0.336 CCCCOCCSCOCCCC 62a_100000743108_100011995733 [0,2,0,0,0,0|2,0,0]=4 20891 B13R0.336 CCCCOCCSCOCCCC 62a_100011995733_100000743108 [0,2,0,0,0,0|2,0,0]=4 20892 B13R0.336 CCCCOCCSCOCCOC 62a_100000231047_100000743108 [0,2,0,0,0,0|2,0,0]=4 20893 B13R0.336 CCCCOCCSCOCCOC 62a_100000743108_100000231047 [0,2,0,0,0,0|2,0,0]=4 20894 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [0,2,0,0,0,0|0,0,0]=2 20895 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [0,2,0,0,0,0|0,0,0]=2 20896 B13R0.336 CCCCOCNCCCCCOC 2230a_100000747528_100011995733 [0,2,0,0,0,0|1,0,0]=3 20897 B13R0.336 CCCCOCNCCCCCOC 34a_100000747528_100011995733 [0,2,0,0,0,0|1,0,0]=3 20898 B13R0.336 CCCCOCNCCCOCCC 2230a_100011217757_100011995733 [0,2,0,0,0,0|2,0,0]=4 20899 B13R0.336 CCCCOCNCCCOCCC 34a_100011217757_100011995733 [0,2,0,0,0,0|2,0,0]=4 20900 B13R0.336 CCCCOCNCCOCCOC 2230a_100000745349_100011995733 [0,2,0,0,0,0|2,0,0]=4 20901 B13R0.336 CCCCOCNCCOCCOC 34a_100000745349_100011995733 [0,2,0,0,0,0|2,0,0]=4 20902 B13R0.336 CCCCOCNCCSCCCC 2230a_100025743550_100011995733 [0,2,0,0,0,0|2,0,0]=4 20903 B13R0.336 CCCCOCOCCCCCCBr 34a_100011215345_100011995733 [0,2,0,0,0,0|1,0,0]=3 20904 B13R0.336 CCCCOCOCCCCCCCl 34a_100000766143_100011995733 [0,2,0,0,0,0|1,0,0]=3 20905 B13R0.336 CCCCOCOCCCCCCF 34a_100000732779_100011995733 [0,2,0,0,0,0|1,0,0]=3 20906 B13R0.336 CCCCOCOCCCCCCN 34a_100000686447_100011995733 [0,2,0,0,0,0|1,0,0]=3 20907 B13R0.336 CCCCOCOCCCCCNC 34a_100000722520_100011995733 [0,2,0,0,0,0|2,0,0]=4 20908 B13R0.336 CCCCOCOCCOCCOC 34a_100011215163_100011995733 [0,2,0,0,0,0|2,0,0]=4 20909 B13R0.336 CCCCOCOCCSCCCC 34a_200000230436_100011995733 [0,2,0,0,0,0|2,0,0]=4 20910 B13R0.336 CCCCOCSCCCCCC#N 62a_100009813376_100011995733 [0,2,0,0,0,0|1,0,1]=4 20911 B13R0.336 CCCCOCSCCCCCC#N 62a_100011995733_100009813376 [0,2,0,0,0,0|1,0,1]=4 20912 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [0,2,0,0,0,0|0,0,2]=4 20913 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [0,2,0,0,0,0|0,0,2]=4 20914 B13R0.336 CCCCOCSCCCCCCF 62a_100011995733_100015922095 [0,2,0,0,0,0|1,0,0]=3 20915 B13R0.336 CCCCOCSCCCCCCF 62a_100015922095_100011995733 [0,2,0,0,0,0|1,0,0]=3 20916 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [0,2,0,0,0,0|0,0,0]=2 20917 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [0,2,0,0,0,0|0,0,0]=2 20918 B13R0.336 CCCCOCSCCOCCOC 62a_100000695917_100011995733 [0,2,0,0,0,0|2,0,0]=4 20919 B13R0.336 CCCCOCSCCOCCOC 62a_100011995733_100000695917 [0,2,0,0,0,0|2,0,0]=4 20920 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [0,2,0,0,0,0|0,0,0]=2 20921 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [0,2,0,0,0,0|0,0,0]=2 20922 B13R0.336 CCCCSCCNCCCCC#N 2230a_100025743550_100000211819 [0,2,0,0,0,0|1,0,1]=4 20923 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [0,2,0,0,0,0|0,0,2]=4 20924 B13R0.336 CCCCSCCNCCCCCF 2230a_100025743550_100000729378 [0,2,0,0,0,0|1,0,0]=3 20925 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [0,2,0,0,0,0|0,0,0]=2 20926 B13R0.336 CCCCSCCNCCCCOC 2230a_100025743550_100000730899 [0,2,0,0,0,0|1,0,0]=3 20927 B13R0.336 CCCCSCCNCCCOCC 2230a_100025743550_100012232248 [0,2,0,0,0,0|2,0,0]=4 20928 B13R0.336 CCCCSCCNCCOCCC 2230a_100025743550_100011215938 [0,2,0,0,0,0|2,0,0]=4 20929 B13R0.336 CCCCSCCNCCOCCO 2230a_100025743550_100011215305 [0,2,0,0,0,0|1,0,0]=3 20930 B13R0.336 CCCCSCCNCOCCOC 2230a_100025743550_100000231047 [0,2,0,0,0,0|2,0,0]=4 20931 B13R0.336 CCCCSCCOCCCCC#N 7a_200000230436_100000211819 [0,2,0,0,0,0|1,0,1]=4 20932 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [0,2,0,0,0,0|0,0,2]=4 20933 B13R0.336 CCCCSCCOCCCCCF 34a_200000230436_100000729378 [0,2,0,0,0,0|1,0,0]=3 20934 B13R0.336 CCCCSCCOCCCCCF 7a_200000230436_100000729378 [0,2,0,0,0,0|1,0,0]=3 20935 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [0,2,0,0,0,0|0,0,0]=2 20936 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [0,2,0,0,0,0|0,0,0]=2 20937 B13R0.336 CCCCSCCOCCCCOC 34a_200000230436_100000755781 [0,2,0,0,0,0|1,0,0]=3 20938 B13R0.336 CCCCSCCOCCCCOC 7a_200000230436_100000730899 [0,2,0,0,0,0|1,0,0]=3 20939 B13R0.336 CCCCSCCOCCCOCC 34a_200000230436_100012232248 [0,2,0,0,0,0|2,0,0]=4 20940 B13R0.336 CCCCSCCOCCCOCC 7a_200000230436_100012232248 [0,2,0,0,0,0|2,0,0]=4 20941 B13R0.336 CCCCSCCOCCOCCC 34a_200000230436_100011215938 [0,2,0,0,0,0|2,0,0]=4 20942 B13R0.336 CCCCSCCOCCOCCC 7a_200000230436_100011215938 [0,2,0,0,0,0|2,0,0]=4 20943 B13R0.336 CCCCSCCOCCOCCO 34a_200000230436_100000692535 [0,2,0,0,0,0|1,0,0]=3 20944 B13R0.336 CCCCSCCOCCOCCO 62a_100000032323_100000210210 [0,2,0,0,0,0|1,0,0]=3 20945 B13R0.336 CCCCSCCOCCOCCO 62a_100000210211_100000032323 [0,2,0,0,0,0|1,0,0]=3 20946 B13R0.336 CCCCSCCOCCOCCO 7a_200000230436_100011215305 [0,2,0,0,0,0|1,0,0]=3 20947 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [0,2,0,0,0,0|0,0,0]=2 20948 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [0,2,0,0,0,0|0,0,0]=2 20949 B13R0.336 CCCNCCCOCCOCCO 2230a_100011996194_100000210303 [0,2,0,0,0,0|1,0,0]=3 20950 B13R0.336 CCCNCCCOCCOCCO 34a_100011996194_100000210303 [0,2,0,0,0,0|1,0,0]=3 20951 B13R0.336 CCCNCCOCCOCCOC 2230a_100012028300_100000210303 [0,2,0,0,0,0|2,0,0]=4 20952 B13R0.336 CCCNCCOCCOCCOC 34a_100012028300_100000210303 [0,2,0,0,0,0|2,0,0]=4 20953 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [0,2,0,0,0,0|1,0,0]=3 20954 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [0,2,0,0,0,0|1,0,0]=3 20955 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [0,2,0,0,0,0|1,0,0]=3 20956 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [0,2,0,0,0,0|1,0,0]=3 20957 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [0,2,0,0,0,0|1,0,0]=3 20958 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [0,2,0,0,0,0|0,0,0]=2 20959 B13R0.336 CCCOCCCNCCCCC#N 2230a_100011217757_100000211819 [0,2,0,0,0,0|1,0,1]=4 20960 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [0,2,0,0,0,0|0,0,2]=4 20961 B13R0.336 CCCOCCCNCCCCCF 2230a_100011217757_100000729378 [0,2,0,0,0,0|1,0,0]=3 20962 B13R0.336 CCCOCCCNCCCCCF 34a_100011217757_100000729378 [0,2,0,0,0,0|1,0,0]=3 20963 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [0,2,0,0,0,0|0,0,0]=2 20964 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [0,2,0,0,0,0|0,0,0]=2 20965 B13R0.336 CCCOCCCNCCCCOC 2230a_100011217757_100000730899 [0,2,0,0,0,0|1,0,0]=3 20966 B13R0.336 CCCOCCCNCCCCOC 34a_100011217757_100000755781 [0,2,0,0,0,0|1,0,0]=3 20967 B13R0.336 CCCOCCCNCCCOCC 2230a_100011217757_100012232248 [0,2,0,0,0,0|2,0,0]=4 20968 B13R0.336 CCCOCCCNCCCOCC 34a_100011217757_100012232248 [0,2,0,0,0,0|2,0,0]=4 20969 B13R0.336 CCCOCCCNCCOCCC 2230a_100011217757_100011215938 [0,2,0,0,0,0|2,0,0]=4 20970 B13R0.336 CCCOCCCNCCOCCC 34a_100011217757_100011215938 [0,2,0,0,0,0|2,0,0]=4 20971 B13R0.336 CCCOCCCNCCOCCO 2230a_100011217757_100011215305 [0,2,0,0,0,0|1,0,0]=3 20972 B13R0.336 CCCOCCCNCCOCCO 34a_100011217757_100000692535 [0,2,0,0,0,0|1,0,0]=3 20973 B13R0.336 CCCOCCCNCOCCOC 2230a_100011217757_100000231047 [0,2,0,0,0,0|2,0,0]=4 20974 B13R0.336 CCCOCCNCCCCCC#N 2230a_100161115042_100009813376 [0,2,0,0,0,0|1,0,1]=4 20975 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [0,2,0,0,0,0|0,0,2]=4 20976 B13R0.336 CCCOCCNCCCCCCF 2230a_100161115042_100015922095 [0,2,0,0,0,0|1,0,0]=3 20977 B13R0.336 CCCOCCNCCCCCCF 34a_100161115042_100015922095 [0,2,0,0,0,0|1,0,0]=3 20978 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [0,2,0,0,0,0|0,0,0]=2 20979 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [0,2,0,0,0,0|0,0,0]=2 20980 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [0,2,0,0,0,0|0,0,0]=2 20981 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [0,2,0,0,0,0|0,0,0]=2 20982 B13R0.336 CCCOCCNCCCCCOC 2230a_100000747528_100011215938 [0,2,0,0,0,0|1,0,0]=3 20983 B13R0.336 CCCOCCNCCCCCOC 34a_100000747528_100011215938 [0,2,0,0,0,0|1,0,0]=3 20984 B13R0.336 CCCOCCNCCOCCOC 2230a_100000745349_100011215938 [0,2,0,0,0,0|2,0,0]=4 20985 B13R0.336 CCCOCCNCCOCCOC 2230a_100161115042_100000695917 [0,2,0,0,0,0|2,0,0]=4 20986 B13R0.336 CCCOCCNCCOCCOC 34a_100000745349_100011215938 [0,2,0,0,0,0|2,0,0]=4 20987 B13R0.336 CCCOCCNCCOCCOC 34a_100161115042_100000695917 [0,2,0,0,0,0|2,0,0]=4 20988 B13R0.336 CCCOCCOCCCCCC#N 7a_100000752267_100009813376 [0,2,0,0,0,0|1,0,1]=4 20989 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [0,2,0,0,0,0|0,0,2]=4 20990 B13R0.336 CCCOCCOCCCCCCBr 34a_100011215345_100011215938 [0,2,0,0,0,0|1,0,0]=3 20991 B13R0.336 CCCOCCOCCCCCCBr 7a_100011215345_100011215938 [0,2,0,0,0,0|1,0,0]=3 20992 B13R0.336 CCCOCCOCCCCCCCl 34a_100000766143_100011215938 [0,2,0,0,0,0|1,0,0]=3 20993 B13R0.336 CCCOCCOCCCCCCCl 7a_100000766143_100011215938 [0,2,0,0,0,0|1,0,0]=3 20994 B13R0.336 CCCOCCOCCCCCCF 34a_100000732779_100011215938 [0,2,0,0,0,0|1,0,0]=3 20995 B13R0.336 CCCOCCOCCCCCCF 34a_100000752267_100015922095 [0,2,0,0,0,0|1,0,0]=3 20996 B13R0.336 CCCOCCOCCCCCCF 7a_100000732779_100011215938 [0,2,0,0,0,0|1,0,0]=3 20997 B13R0.336 CCCOCCOCCCCCCF 7a_100000752267_100015922095 [0,2,0,0,0,0|1,0,0]=3 20998 B13R0.336 CCCOCCOCCCCCCN 34a_100000686447_100011215938 [0,2,0,0,0,0|1,0,0]=3 20999 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [0,2,0,0,0,0|0,0,0]=2 21000 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [0,2,0,0,0,0|0,0,0]=2 21001 B13R0.336 CCCOCCOCCCCCNC 34a_100000722520_100011215938 [0,2,0,0,0,0|2,0,0]=4 21002 B13R0.336 CCCOCCOCCNCCCF 2230a_200011904461_100011934791 [0,2,0,0,0,0|2,0,0]=4 21003 B13R0.336 CCCOCCOCCNCCCF 34a_200011904461_100011934791 [0,2,0,0,0,0|2,0,0]=4 21004 B13R0.336 CCCOCCOCCNCCCO 2230a_200011904461_100000230001 [0,2,0,0,0,0|1,0,0]=3 21005 B13R0.336 CCCOCCOCCNCCCO 34a_200011904461_100000230001 [0,2,0,0,0,0|1,0,0]=3 21006 B13R0.336 CCCOCCOCCNCCOC 2230a_200011904461_100011201679 [0,2,0,0,0,0|2,0,0]=4 21007 B13R0.336 CCCOCCOCCNCCOC 34a_200011904461_100011201679 [0,2,0,0,0,0|2,0,0]=4 21008 B13R0.336 CCCOCCOCCOCCCN 34a_100011996194_100000210303 [0,2,0,0,0,0|2,0,0]=4 21009 B13R0.336 CCCOCCOCCOCCOC 34a_100000210258_100013367474 [0,2,0,0,0,0|2,0,0]=4 21010 B13R0.336 CCCOCCOCCOCCOC 34a_100000688194_100000210303 [0,2,0,0,0,0|2,0,0]=4 21011 B13R0.336 CCCOCCOCCOCCOC 34a_100000752267_100000695917 [0,2,0,0,0,0|2,0,0]=4 21012 B13R0.336 CCCOCCOCCOCCOC 34a_100011215163_100011215938 [0,2,0,0,0,0|2,0,0]=4 21013 B13R0.336 CCCOCCOCCOCCOC 7a_100000688194_100000210303 [0,2,0,0,0,0|2,0,0]=4 21014 B13R0.336 CCCOCCOCCOCCOC 7a_100000752267_100000695917 [0,2,0,0,0,0|2,0,0]=4 21015 B13R0.336 CCCOCCOCCOCCOC 7a_100011215163_100011215938 [0,2,0,0,0,0|2,0,0]=4 21016 B13R0.336 CCCOCCSCCCCCC#N 62a_100009813376_100011215938 [0,2,0,0,0,0|1,0,1]=4 21017 B13R0.336 CCCOCCSCCCCCC#N 62a_100011215938_100009813376 [0,2,0,0,0,0|1,0,1]=4 21018 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [0,2,0,0,0,0|0,0,2]=4 21019 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [0,2,0,0,0,0|0,0,2]=4 21020 B13R0.336 CCCOCCSCCCCCCF 62a_100011215938_100015922095 [0,2,0,0,0,0|1,0,0]=3 21021 B13R0.336 CCCOCCSCCCCCCF 62a_100015922095_100011215938 [0,2,0,0,0,0|1,0,0]=3 21022 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [0,2,0,0,0,0|0,0,0]=2 21023 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [0,2,0,0,0,0|0,0,0]=2 21024 B13R0.336 CCCOCCSCCOCCOC 62a_100000695917_100011215938 [0,2,0,0,0,0|2,0,0]=4 21025 B13R0.336 CCCOCCSCCOCCOC 62a_100011215938_100000695917 [0,2,0,0,0,0|2,0,0]=4 21026 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [0,2,0,0,0,0|0,0,0]=2 21027 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [0,2,0,0,0,0|0,0,0]=2 21028 B13R0.336 CCCSCCNCCCCCC#N 2230a_100020603323_100009813376 [0,2,0,0,0,0|1,0,1]=4 21029 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [0,2,0,0,0,0|0,0,2]=4 21030 B13R0.336 CCCSCCNCCCCCCF 2230a_100020603323_100015922095 [0,2,0,0,0,0|1,0,0]=3 21031 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [0,2,0,0,0,0|0,0,0]=2 21032 B13R0.336 CCCSCCNCCOCCOC 2230a_100020603323_100000695917 [0,2,0,0,0,0|2,0,0]=4 21033 B13R0.336 CCCSCCOCCCCCC#N 7a_200000230433_100009813376 [0,2,0,0,0,0|1,0,1]=4 21034 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [0,2,0,0,0,0|0,0,2]=4 21035 B13R0.336 CCCSCCOCCCCCCF 34a_200000230433_100015922095 [0,2,0,0,0,0|1,0,0]=3 21036 B13R0.336 CCCSCCOCCCCCCF 7a_200000230433_100015922095 [0,2,0,0,0,0|1,0,0]=3 21037 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [0,2,0,0,0,0|0,0,0]=2 21038 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [0,2,0,0,0,0|0,0,0]=2 21039 B13R0.336 CCCSCCOCCOCCOC 34a_200000230433_100000695917 [0,2,0,0,0,0|2,0,0]=4 21040 B13R0.336 CCCSCCOCCOCCOC 62a_100000210303_100013367474 [0,2,0,0,0,0|2,0,0]=4 21041 B13R0.336 CCCSCCOCCOCCOC 62a_100013367474_100000210303 [0,2,0,0,0,0|2,0,0]=4 21042 B13R0.336 CCCSCCOCCOCCOC 7a_200000230433_100000695917 [0,2,0,0,0,0|2,0,0]=4 21043 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [0,2,0,0,0,0|0,0,0]=2 21044 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [0,2,0,0,0,0|0,0,0]=2 21045 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [0,2,0,0,0,0|0,0,0]=2 21046 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [0,2,0,0,0,0|1,0,0]=3 21047 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [0,2,0,0,0,0|1,0,0]=3 21048 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [0,2,0,0,0,0|1,0,0]=3 21049 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [0,2,0,0,0,0|1,0,0]=3 21050 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [0,2,0,0,0,0|1,0,0]=3 21051 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [0,2,0,0,0,0|0,0,0]=2 21052 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,2,0,0,0,0|0,0,0]=2 21053 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,2,0,0,0,0|0,0,0]=2 21054 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,2,0,0,0,0|0,0,0]=2 21055 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,2,0,0,0,0|0,0,0]=2 21056 B13R0.336 CCOCCCNCCCCCC#N 2230a_100000210961_100009813376 [0,2,0,0,0,0|1,0,1]=4 21057 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [0,2,0,0,0,0|0,0,2]=4 21058 B13R0.336 CCOCCCNCCCCCCF 2230a_100000210961_100015922095 [0,2,0,0,0,0|1,0,0]=3 21059 B13R0.336 CCOCCCNCCCCCCF 34a_100000210961_100015922095 [0,2,0,0,0,0|1,0,0]=3 21060 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [0,2,0,0,0,0|0,0,0]=2 21061 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [0,2,0,0,0,0|0,0,0]=2 21062 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [0,2,0,0,0,0|0,0,0]=2 21063 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [0,2,0,0,0,0|0,0,0]=2 21064 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [0,2,0,0,0,0|1,0,0]=3 21065 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [0,2,0,0,0,0|1,0,0]=3 21066 B13R0.336 CCOCCCNCCOCCOC 2230a_100000210961_100000695917 [0,2,0,0,0,0|2,0,0]=4 21067 B13R0.336 CCOCCCNCCOCCOC 2230a_100000745349_100012232248 [0,2,0,0,0,0|2,0,0]=4 21068 B13R0.336 CCOCCCNCCOCCOC 34a_100000210961_100000695917 [0,2,0,0,0,0|2,0,0]=4 21069 B13R0.336 CCOCCCNCCOCCOC 34a_100000745349_100012232248 [0,2,0,0,0,0|2,0,0]=4 21070 B13R0.336 CCOCCCOCCCCCC#N 7a_100000757476_100009813376 [0,2,0,0,0,0|1,0,1]=4 21071 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [0,2,0,0,0,0|0,0,2]=4 21072 B13R0.336 CCOCCCOCCCCCCBr 34a_100011215345_100012232248 [0,2,0,0,0,0|1,0,0]=3 21073 B13R0.336 CCOCCCOCCCCCCBr 7a_100011215345_100012232248 [0,2,0,0,0,0|1,0,0]=3 21074 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [0,2,0,0,0,0|1,0,0]=3 21075 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [0,2,0,0,0,0|1,0,0]=3 21076 B13R0.336 CCOCCCOCCCCCCF 34a_100000732779_100012232248 [0,2,0,0,0,0|1,0,0]=3 21077 B13R0.336 CCOCCCOCCCCCCF 34a_100000757476_100015922095 [0,2,0,0,0,0|1,0,0]=3 21078 B13R0.336 CCOCCCOCCCCCCF 7a_100000732779_100012232248 [0,2,0,0,0,0|1,0,0]=3 21079 B13R0.336 CCOCCCOCCCCCCF 7a_100000757476_100015922095 [0,2,0,0,0,0|1,0,0]=3 21080 B13R0.336 CCOCCCOCCCCCCN 34a_100000686447_100012232248 [0,2,0,0,0,0|1,0,0]=3 21081 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [0,2,0,0,0,0|0,0,0]=2 21082 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [0,2,0,0,0,0|0,0,0]=2 21083 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [0,2,0,0,0,0|2,0,0]=4 21084 B13R0.336 CCOCCCOCCOCCOC 34a_100000757476_100000695917 [0,2,0,0,0,0|2,0,0]=4 21085 B13R0.336 CCOCCCOCCOCCOC 34a_100011215163_100012232248 [0,2,0,0,0,0|2,0,0]=4 21086 B13R0.336 CCOCCCOCCOCCOC 7a_100000757476_100000695917 [0,2,0,0,0,0|2,0,0]=4 21087 B13R0.336 CCOCCCOCCOCCOC 7a_100011215163_100012232248 [0,2,0,0,0,0|2,0,0]=4 21088 B13R0.336 CCOCCCSCCCCCC#N 62a_100009813376_100012232248 [0,2,0,0,0,0|1,0,1]=4 21089 B13R0.336 CCOCCCSCCCCCC#N 62a_100012232248_100009813376 [0,2,0,0,0,0|1,0,1]=4 21090 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [0,2,0,0,0,0|0,0,2]=4 21091 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [0,2,0,0,0,0|0,0,2]=4 21092 B13R0.336 CCOCCCSCCCCCCF 62a_100012232248_100015922095 [0,2,0,0,0,0|1,0,0]=3 21093 B13R0.336 CCOCCCSCCCCCCF 62a_100015922095_100012232248 [0,2,0,0,0,0|1,0,0]=3 21094 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [0,2,0,0,0,0|0,0,0]=2 21095 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [0,2,0,0,0,0|0,0,0]=2 21096 B13R0.336 CCOCCCSCCOCCOC 62a_100000695917_100012232248 [0,2,0,0,0,0|2,0,0]=4 21097 B13R0.336 CCOCCCSCCOCCOC 62a_100012232248_100000695917 [0,2,0,0,0,0|2,0,0]=4 21098 B13R0.336 CCOCCNCCCCCCC#N 2230a_102516460346_100009813337 [0,2,0,0,0,0|1,0,1]=4 21099 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [0,2,0,0,0,0|0,0,0]=2 21100 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [0,2,0,0,0,0|0,0,0]=2 21101 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [0,2,0,0,0,0|0,0,0]=2 21102 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [0,2,0,0,0,0|0,0,0]=2 21103 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [0,2,0,0,0,0|1,0,0]=3 21104 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [0,2,0,0,0,0|1,0,0]=3 21105 B13R0.336 CCOCCNCCCOCCCO 2230a_100011310245_100011215890 [0,2,0,0,0,0|1,0,0]=3 21106 B13R0.336 CCOCCNCCCOCCCO 34a_100011310245_100000210147 [0,2,0,0,0,0|1,0,0]=3 21107 B13R0.336 CCOCCNCCCOCCOC 2230a_100000206027_100011215890 [0,2,0,0,0,0|2,0,0]=4 21108 B13R0.336 CCOCCNCCCOCCOC 2230a_102516460346_100011216529 [0,2,0,0,0,0|2,0,0]=4 21109 B13R0.336 CCOCCNCCCOCCOC 34a_100000206027_100000210147 [0,2,0,0,0,0|2,0,0]=4 21110 B13R0.336 CCOCCNCCCOCCOC 34a_102516460346_100011216529 [0,2,0,0,0,0|2,0,0]=4 21111 B13R0.336 CCOCCOCCCCCCC#N 7a_100000210136_100009813337 [0,2,0,0,0,0|1,0,1]=4 21112 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [0,2,0,0,0,0|1,0,0]=3 21113 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [0,2,0,0,0,0|1,0,0]=3 21114 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [0,2,0,0,0,0|1,0,0]=3 21115 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,2,0,0,0,0|0,0,0]=2 21116 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,2,0,0,0,0|0,0,0]=2 21117 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [0,2,0,0,0,0|1,0,0]=3 21118 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [0,2,0,0,0,0|1,0,0]=3 21119 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [0,2,0,0,0,0|1,0,0]=3 21120 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [0,2,0,0,0,0|1,0,0]=3 21121 B13R0.336 CCOCCOCCCOCCCN 34a_100011310245_100000210147 [0,2,0,0,0,0|2,0,0]=4 21122 B13R0.336 CCOCCOCCCOCCOC 34a_100000210136_100011216529 [0,2,0,0,0,0|2,0,0]=4 21123 B13R0.336 CCOCCOCCCOCCOC 7a_100000210136_100011216529 [0,2,0,0,0,0|2,0,0]=4 21124 B13R0.336 CCOCCOCCNCCCCF 2230a_100102712874_100000729493 [0,2,0,0,0,0|2,0,0]=4 21125 B13R0.336 CCOCCOCCNCCCCF 34a_100102712874_100000729493 [0,2,0,0,0,0|2,0,0]=4 21126 B13R0.336 CCOCCOCCNCCCCO 2230a_100000750430_100011211534 [0,2,0,0,0,0|1,0,0]=3 21127 B13R0.336 CCOCCOCCNCCCCO 2230a_100102712874_100000210776 [0,2,0,0,0,0|1,0,0]=3 21128 B13R0.336 CCOCCOCCNCCCCO 34a_100000750430_100011211534 [0,2,0,0,0,0|1,0,0]=3 21129 B13R0.336 CCOCCOCCNCCCCO 34a_100102712874_100011216708 [0,2,0,0,0,0|1,0,0]=3 21130 B13R0.336 CCOCCOCCNCCCOC 2230a_100102712874_100000740836 [0,2,0,0,0,0|2,0,0]=4 21131 B13R0.336 CCOCCOCCNCCCOC 34a_100102712874_100000740836 [0,2,0,0,0,0|2,0,0]=4 21132 B13R0.336 CCOCCOCCNCCCOC 34a_100150723488_100011211534 [0,2,0,0,0,0|2,0,0]=4 21133 B13R0.336 CCOCCOCCOCCCCBr 34a_100011216708_100011211534 [0,2,0,0,0,0|2,0,0]=4 21134 B13R0.336 CCOCCOCCOCCCCCl 34a_100000210776_100011211534 [0,2,0,0,0,0|2,0,0]=4 21135 B13R0.336 CCOCCOCCOCCCCCl 7a_100000210776_100011211534 [0,2,0,0,0,0|2,0,0]=4 21136 B13R0.336 CCOCCOCCOCCCCF 34a_100000210240_100000729493 [0,2,0,0,0,0|2,0,0]=4 21137 B13R0.336 CCOCCOCCOCCCCF 34a_100011995726_100011211534 [0,2,0,0,0,0|2,0,0]=4 21138 B13R0.336 CCOCCOCCOCCCCF 7a_100000210240_100000729493 [0,2,0,0,0,0|2,0,0]=4 21139 B13R0.336 CCOCCOCCOCCCCF 7a_100011995726_100011211534 [0,2,0,0,0,0|2,0,0]=4 21140 B13R0.336 CCOCCOCCOCCCCI 34a_200012148704_100011211534 [0,2,0,0,0,0|2,0,0]=4 21141 B13R0.336 CCOCCOCCOCCCCN 34a_100000750430_100011211534 [0,2,0,0,0,0|2,0,0]=4 21142 B13R0.336 CCOCCOCCOCCCCO 34a_100000210240_100011216708 [0,2,0,0,0,0|1,0,0]=3 21143 B13R0.336 CCOCCOCCOCCCCO 7a_100000210240_100000210776 [0,2,0,0,0,0|1,0,0]=3 21144 B13R0.336 CCOCCOCCOCCCOC 34a_100000210240_100000740836 [0,2,0,0,0,0|2,0,0]=4 21145 B13R0.336 CCOCCOCCOCCCOC 34a_100000740835_100011211534 [0,2,0,0,0,0|2,0,0]=4 21146 B13R0.336 CCOCCOCCOCCCOC 7a_100000210240_100000740836 [0,2,0,0,0,0|2,0,0]=4 21147 B13R0.336 CCOCCOCCSCCCCF 62a_100000729493_100011211534 [0,2,0,0,0,0|2,0,0]=4 21148 B13R0.336 CCOCCOCCSCCCCF 62a_100011211534_100000729493 [0,2,0,0,0,0|2,0,0]=4 21149 B13R0.336 CCOCCOCCSCCCCO 62a_100000210776_100011211534 [0,2,0,0,0,0|1,0,0]=3 21150 B13R0.336 CCOCCOCCSCCCCO 62a_100011211534_100000210776 [0,2,0,0,0,0|1,0,0]=3 21151 B13R0.336 CCOCCOCCSCCCOC 62a_100000709357_100011211534 [0,2,0,0,0,0|2,0,0]=4 21152 B13R0.336 CCOCCOCCSCCCOC 62a_100011211534_100000709357 [0,2,0,0,0,0|2,0,0]=4 21153 B13R0.336 CCOCCSCCCCCCC#N 62a_100000210147_100009813337 [0,2,0,0,0,0|1,0,1]=4 21154 B13R0.336 CCOCCSCCCCCCC#N 62a_100009813337_100011215890 [0,2,0,0,0,0|1,0,1]=4 21155 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [0,2,0,0,0,0|0,0,0]=2 21156 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [0,2,0,0,0,0|0,0,0]=2 21157 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [0,2,0,0,0,0|1,0,0]=3 21158 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [0,2,0,0,0,0|1,0,0]=3 21159 B13R0.336 CCOCCSCCCOCCOC 62a_100000210147_100011216529 [0,2,0,0,0,0|2,0,0]=4 21160 B13R0.336 CCOCCSCCCOCCOC 62a_100011216529_100011215890 [0,2,0,0,0,0|2,0,0]=4 21161 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [0,2,0,0,0,0|0,0,0]=2 21162 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [0,2,0,0,0,0|0,0,0]=2 21163 B13R0.336 CCOCSCCOCCOCCO 62a_100000032323_100000739092 [0,2,0,0,0,0|2,0,0]=4 21164 B13R0.336 CCOCSCCOCCOCCO 62a_100000739092_100000032323 [0,2,0,0,0,0|2,0,0]=4 21165 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [0,2,0,0,0,0|0,0,0]=2 21166 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [0,2,0,0,0,0|0,0,0]=2 21167 B13R0.336 CCSCCCOCCCCCC#N 7a_100011216438_100009813376 [0,2,0,0,0,0|1,0,1]=4 21168 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [0,2,0,0,0,0|0,0,2]=4 21169 B13R0.336 CCSCCCOCCCCCCF 34a_100011216438_100015922095 [0,2,0,0,0,0|1,0,0]=3 21170 B13R0.336 CCSCCCOCCCCCCF 7a_100011216438_100015922095 [0,2,0,0,0,0|1,0,0]=3 21171 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [0,2,0,0,0,0|0,0,0]=2 21172 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [0,2,0,0,0,0|0,0,0]=2 21173 B13R0.336 CCSCCCOCCOCCOC 34a_100011216438_100000695917 [0,2,0,0,0,0|2,0,0]=4 21174 B13R0.336 CCSCCCOCCOCCOC 7a_100011216438_100000695917 [0,2,0,0,0,0|2,0,0]=4 21175 B13R0.336 CCSCCNCCCCCCC#N 2230a_100000106463_100009813337 [0,2,0,0,0,0|1,0,1]=4 21176 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [0,2,0,0,0,0|0,0,0]=2 21177 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [0,2,0,0,0,0|0,0,0]=2 21178 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [0,2,0,0,0,0|0,0,0]=2 21179 B13R0.336 CCSCCNCCCCCCOC 2230a_100000106463_100011998445 [0,2,0,0,0,0|1,0,0]=3 21180 B13R0.336 CCSCCNCCCOCCCO 2230a_100011310245_100000757381 [0,2,0,0,0,0|1,0,0]=3 21181 B13R0.336 CCSCCNCCCOCCCO 34a_100011310245_100000757381 [0,2,0,0,0,0|1,0,0]=3 21182 B13R0.336 CCSCCNCCCOCCOC 2230a_100000106463_100011216529 [0,2,0,0,0,0|2,0,0]=4 21183 B13R0.336 CCSCCNCCCOCCOC 2230a_100000206027_100000757381 [0,2,0,0,0,0|2,0,0]=4 21184 B13R0.336 CCSCCNCCCOCCOC 34a_100000206027_100000757381 [0,2,0,0,0,0|2,0,0]=4 21185 B13R0.336 CCSCCOCCCCCCC#N 7a_100000212035_100009813337 [0,2,0,0,0,0|1,0,1]=4 21186 B13R0.336 CCSCCOCCCCCCCBr 34a_100000760002_100000757381 [0,2,0,0,0,0|1,0,0]=3 21187 B13R0.336 CCSCCOCCCCCCCBr 7a_100000760002_100000757381 [0,2,0,0,0,0|1,0,0]=3 21188 B13R0.336 CCSCCOCCCCCCCN 34a_100011996573_100000757381 [0,2,0,0,0,0|1,0,0]=3 21189 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [0,2,0,0,0,0|0,0,0]=2 21190 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [0,2,0,0,0,0|0,0,0]=2 21191 B13R0.336 CCSCCOCCCCCCOC 34a_100000212035_100011998445 [0,2,0,0,0,0|1,0,0]=3 21192 B13R0.336 CCSCCOCCCCCCOC 34a_200012092642_100000757381 [0,2,0,0,0,0|1,0,0]=3 21193 B13R0.336 CCSCCOCCCCCCOC 7a_100000212035_100011998445 [0,2,0,0,0,0|1,0,0]=3 21194 B13R0.336 CCSCCOCCCCCCOC 7a_200012092642_100000757381 [0,2,0,0,0,0|1,0,0]=3 21195 B13R0.336 CCSCCOCCCOCCCN 34a_100011310245_100000757381 [0,2,0,0,0,0|2,0,0]=4 21196 B13R0.336 CCSCCOCCCOCCOC 34a_100000212035_100011216529 [0,2,0,0,0,0|2,0,0]=4 21197 B13R0.336 CCSCCOCCCOCCOC 7a_100000212035_100011216529 [0,2,0,0,0,0|2,0,0]=4 21198 B13R0.336 CCSCCSCCCCCCC#N 62a_100000757381_100009813337 [0,2,0,0,0,0|1,0,1]=4 21199 B13R0.336 CCSCCSCCCCCCC#N 62a_100009813337_100000757381 [0,2,0,0,0,0|1,0,1]=4 21200 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [0,2,0,0,0,0|0,0,0]=2 21201 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [0,2,0,0,0,0|0,0,0]=2 21202 B13R0.336 CCSCCSCCCCCCOC 62a_100000757381_100011998445 [0,2,0,0,0,0|1,0,0]=3 21203 B13R0.336 CCSCCSCCCCCCOC 62a_100011998445_100000757381 [0,2,0,0,0,0|1,0,0]=3 21204 B13R0.336 CCSCCSCCCOCCOC 62a_100000757381_100011216529 [0,2,0,0,0,0|2,0,0]=4 21205 B13R0.336 CCSCCSCCCOCCOC 62a_100011216529_100000757381 [0,2,0,0,0,0|2,0,0]=4 21206 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [0,2,0,0,0,0|0,0,0]=2 21207 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [0,2,0,0,0,0|0,0,0]=2 21208 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [0,2,0,0,0,0|0,0,0]=2 21209 B13R0.336 CNCCCCCOCCCCCF 34a_100000722520_100000729378 [0,2,0,0,0,0|1,0,0]=3 21210 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [0,2,0,0,0,0|0,0,0]=2 21211 B13R0.336 CNCCCCCOCCCCOC 34a_100000722520_100000755781 [0,2,0,0,0,0|1,0,0]=3 21212 B13R0.336 CNCCCCCOCCOCCO 34a_100000722520_100000692535 [0,2,0,0,0,0|1,0,0]=3 21213 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [0,2,0,0,0,0|0,0,0]=2 21214 B13R0.336 CNCCCOCCCCCCOC 34a_100000213112_100011998445 [0,2,0,0,0,0|1,0,0]=3 21215 B13R0.336 CNCCCOCCCOCCOC 34a_100000213112_100011216529 [0,2,0,0,0,0|2,0,0]=4 21216 B13R0.336 CNCCOCCOCCCCCF 34a_100000228057_100000729378 [0,2,0,0,0,0|2,0,0]=4 21217 B13R0.336 CNCCOCCOCCCCCO 34a_100000228057_100000746330 [0,2,0,0,0,0|1,0,0]=3 21218 B13R0.336 CNCCOCCOCCCCOC 34a_100000228057_100000755781 [0,2,0,0,0,0|2,0,0]=4 21219 B13R0.336 CNCCOCCOCCOCCO 2230a_103437854208_200000210301 [0,2,0,0,0,0|2,0,0]=4 21220 B13R0.336 CNCCOCCOCCOCCO 2230a_106832991635_100010166562 [0,2,0,0,0,0|2,0,0]=4 21221 B13R0.336 CNCCOCCOCCOCCO 34a_100000228057_100000692535 [0,2,0,0,0,0|2,0,0]=4 21222 B13R0.336 CNCCOCCOCCOCCO 34a_100102657272_100010166562 [0,2,0,0,0,0|2,0,0]=4 21223 B13R0.336 CNCCOCCOCCOCCO 34a_103437854208_200000210301 [0,2,0,0,0,0|2,0,0]=4 21224 B13R0.336 CNCCOCCOCCOCCO 34a_200014138305_100000211926 [0,2,0,0,0,0|2,0,0]=4 21225 B13R0.336 CNCCOCCOCCOCCO 7a_106832991635_100010166562 [0,2,0,0,0,0|2,0,0]=4 21226 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [0,2,0,0,0,0|0,0,0]=2 21227 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [0,2,0,0,0,0|0,0,0]=2 21228 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [0,2,0,0,0,0|0,0,0]=2 21229 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [0,2,0,0,0,0|0,0,0]=2 21230 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [0,2,0,0,0,0|0,0,0]=2 21231 B13R0.336 COCCCCCCNCCCOC 34a_100150723488_100011998445 [0,2,0,0,0,0|1,0,0]=3 21232 B13R0.336 COCCCCCCNCCCSC 2230a_100000749238_100011998445 [0,2,0,0,0,0|1,0,0]=3 21233 B13R0.336 COCCCCCCOCC#CCO 34a_200012092642_200000047223 [0,2,0,0,0,0|0,0,2]=4 21234 B13R0.336 COCCCCCCOCC#CCO 7a_200012092642_200000047223 [0,2,0,0,0,0|0,0,2]=4 21235 B13R0.336 COCCCCCCOCCCC#N 7a_200012092642_100000687738 [0,2,0,0,0,0|1,0,1]=4 21236 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [0,2,0,0,0,0|0,0,2]=4 21237 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [0,2,0,0,0,0|1,0,0]=3 21238 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [0,2,0,0,0,0|1,0,0]=3 21239 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [0,2,0,0,0,0|1,0,0]=3 21240 B13R0.336 COCCCCCCOCCCCF 34a_100011995726_100011998445 [0,2,0,0,0,0|1,0,0]=3 21241 B13R0.336 COCCCCCCOCCCCF 34a_200012092642_100000729493 [0,2,0,0,0,0|1,0,0]=3 21242 B13R0.336 COCCCCCCOCCCCF 7a_100011995726_100011998445 [0,2,0,0,0,0|1,0,0]=3 21243 B13R0.336 COCCCCCCOCCCCF 7a_200012092642_100000729493 [0,2,0,0,0,0|1,0,0]=3 21244 B13R0.336 COCCCCCCOCCCCI 34a_200012148704_100011998445 [0,2,0,0,0,0|1,0,0]=3 21245 B13R0.336 COCCCCCCOCCCCN 34a_100000750430_100011998445 [0,2,0,0,0,0|1,0,0]=3 21246 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [0,2,0,0,0,0|0,0,0]=2 21247 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [0,2,0,0,0,0|0,0,0]=2 21248 B13R0.336 COCCCCCCOCCCOC 34a_100000740835_100011998445 [0,2,0,0,0,0|1,0,0]=3 21249 B13R0.336 COCCCCCCOCCCOC 34a_200012092642_100000740836 [0,2,0,0,0,0|1,0,0]=3 21250 B13R0.336 COCCCCCCOCCCOC 7a_200012092642_100000740836 [0,2,0,0,0,0|1,0,0]=3 21251 B13R0.336 COCCCCCCOCCCSC 34a_100000690336_100011998445 [0,2,0,0,0,0|1,0,0]=3 21252 B13R0.336 COCCCCCCOCCCSC 7a_100000690336_100011998445 [0,2,0,0,0,0|1,0,0]=3 21253 B13R0.336 COCCCCCCSCC#CCO 62a_100011998445_200000047223 [0,2,0,0,0,0|0,0,2]=4 21254 B13R0.336 COCCCCCCSCC#CCO 62a_200000047223_100011998445 [0,2,0,0,0,0|0,0,2]=4 21255 B13R0.336 COCCCCCCSCCCC#N 62a_100000687738_100011998445 [0,2,0,0,0,0|1,0,1]=4 21256 B13R0.336 COCCCCCCSCCCC#N 62a_100011998445_100000687738 [0,2,0,0,0,0|1,0,1]=4 21257 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [0,2,0,0,0,0|0,0,2]=4 21258 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [0,2,0,0,0,0|0,0,2]=4 21259 B13R0.336 COCCCCCCSCCCCF 62a_100000729493_100011998445 [0,2,0,0,0,0|1,0,0]=3 21260 B13R0.336 COCCCCCCSCCCCF 62a_100011998445_100000729493 [0,2,0,0,0,0|1,0,0]=3 21261 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [0,2,0,0,0,0|0,0,0]=2 21262 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [0,2,0,0,0,0|0,0,0]=2 21263 B13R0.336 COCCCCCCSCCCOC 62a_100000709357_100011998445 [0,2,0,0,0,0|1,0,0]=3 21264 B13R0.336 COCCCCCCSCCCOC 62a_100011998445_100000709357 [0,2,0,0,0,0|1,0,0]=3 21265 B13R0.336 COCCCCCNCCCCC#N 2230a_100000747528_100000211819 [0,2,0,0,0,0|1,0,1]=4 21266 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [0,2,0,0,0,0|0,0,2]=4 21267 B13R0.336 COCCCCCNCCCCCF 2230a_100000747528_100000729378 [0,2,0,0,0,0|1,0,0]=3 21268 B13R0.336 COCCCCCNCCCCCF 34a_100000747528_100000729378 [0,2,0,0,0,0|1,0,0]=3 21269 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [0,2,0,0,0,0|0,0,0]=2 21270 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [0,2,0,0,0,0|0,0,0]=2 21271 B13R0.336 COCCCCCNCCCCOC 2230a_100000747528_100000730899 [0,2,0,0,0,0|1,0,0]=3 21272 B13R0.336 COCCCCCNCCCCOC 34a_100000747528_100000755781 [0,2,0,0,0,0|1,0,0]=3 21273 B13R0.336 COCCCCCNCCOCCO 2230a_100000747528_100011215305 [0,2,0,0,0,0|1,0,0]=3 21274 B13R0.336 COCCCCCNCCOCCO 34a_100000747528_100000692535 [0,2,0,0,0,0|1,0,0]=3 21275 B13R0.336 COCCCCCNCOCCOC 2230a_100000747528_100000231047 [0,2,0,0,0,0|2,0,0]=4 21276 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [0,2,0,0,0,0|0,0,0]=2 21277 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [0,2,0,0,0,0|0,0,0]=2 21278 B13R0.336 COCCCCNCCOCCOC 2230a_100000745349_100000730899 [0,2,0,0,0,0|2,0,0]=4 21279 B13R0.336 COCCCCNCCOCCOC 34a_100000745349_100000755781 [0,2,0,0,0,0|2,0,0]=4 21280 B13R0.336 COCCCCOCCCCCCBr 34a_100011215345_100000755781 [0,2,0,0,0,0|1,0,0]=3 21281 B13R0.336 COCCCCOCCCCCCBr 7a_100011215345_100000730899 [0,2,0,0,0,0|1,0,0]=3 21282 B13R0.336 COCCCCOCCCCCCCl 34a_100000766143_100000755781 [0,2,0,0,0,0|1,0,0]=3 21283 B13R0.336 COCCCCOCCCCCCCl 7a_100000766143_100000730899 [0,2,0,0,0,0|1,0,0]=3 21284 B13R0.336 COCCCCOCCCCCCF 34a_100000732779_100000755781 [0,2,0,0,0,0|1,0,0]=3 21285 B13R0.336 COCCCCOCCCCCCF 34a_100000740925_100015922095 [0,2,0,0,0,0|1,0,0]=3 21286 B13R0.336 COCCCCOCCCCCCF 7a_100000732779_100000730899 [0,2,0,0,0,0|1,0,0]=3 21287 B13R0.336 COCCCCOCCCCCCN 34a_100000686447_100000755781 [0,2,0,0,0,0|1,0,0]=3 21288 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [0,2,0,0,0,0|0,0,0]=2 21289 B13R0.336 COCCCCOCCOCCOC 34a_100000740925_100000695917 [0,2,0,0,0,0|2,0,0]=4 21290 B13R0.336 COCCCCOCCOCCOC 34a_100011215163_100000755781 [0,2,0,0,0,0|2,0,0]=4 21291 B13R0.336 COCCCCOCCOCCOC 7a_100011215163_100000730899 [0,2,0,0,0,0|2,0,0]=4 21292 B13R0.336 COCCCCSCCCCCC#N 62a_100000730899_100009813376 [0,2,0,0,0,0|1,0,1]=4 21293 B13R0.336 COCCCCSCCCCCC#N 62a_100009813376_100000730899 [0,2,0,0,0,0|1,0,1]=4 21294 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [0,2,0,0,0,0|0,0,2]=4 21295 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [0,2,0,0,0,0|0,0,2]=4 21296 B13R0.336 COCCCCSCCCCCCF 62a_100000730899_100015922095 [0,2,0,0,0,0|1,0,0]=3 21297 B13R0.336 COCCCCSCCCCCCF 62a_100015922095_100000730899 [0,2,0,0,0,0|1,0,0]=3 21298 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [0,2,0,0,0,0|0,0,0]=2 21299 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [0,2,0,0,0,0|0,0,0]=2 21300 B13R0.336 COCCCCSCCOCCOC 62a_100000695917_100000730899 [0,2,0,0,0,0|2,0,0]=4 21301 B13R0.336 COCCCCSCCOCCOC 62a_100000730899_100000695917 [0,2,0,0,0,0|2,0,0]=4 21302 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [0,2,0,0,0,0|0,0,0]=2 21303 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [0,2,0,0,0,0|0,0,0]=2 21304 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [0,2,0,0,0,0|0,0,0]=2 21305 B13R0.336 COCCCNCCCOCCCO 2230a_100011310245_100000740836 [0,2,0,0,0,0|1,0,0]=3 21306 B13R0.336 COCCCNCCCOCCCO 34a_100011310245_100000740836 [0,2,0,0,0,0|1,0,0]=3 21307 B13R0.336 COCCCNCCCOCCOC 2230a_100000206027_100000740836 [0,2,0,0,0,0|2,0,0]=4 21308 B13R0.336 COCCCNCCCOCCOC 34a_100000206027_100000740836 [0,2,0,0,0,0|2,0,0]=4 21309 B13R0.336 COCCCNCCCOCCOC 34a_100150723488_100011216529 [0,2,0,0,0,0|2,0,0]=4 21310 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [0,2,0,0,0,0|1,0,0]=3 21311 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [0,2,0,0,0,0|1,0,0]=3 21312 B13R0.336 COCCCOCCCCCCCN 34a_100011996573_100000740836 [0,2,0,0,0,0|1,0,0]=3 21313 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [0,2,0,0,0,0|0,0,0]=2 21314 B13R0.336 COCCCOCCCOCCCF 34a_200011215475_100011934791 [0,2,0,0,0,0|2,0,0]=4 21315 B13R0.336 COCCCOCCCOCCCF 7a_200011215475_100011934791 [0,2,0,0,0,0|2,0,0]=4 21316 B13R0.336 COCCCOCCCOCCCN 34a_100011310245_100000740836 [0,2,0,0,0,0|2,0,0]=4 21317 B13R0.336 COCCCOCCCOCCCO 34a_200011215475_100000230001 [0,2,0,0,0,0|1,0,0]=3 21318 B13R0.336 COCCCOCCCOCCCO 7a_200011215475_100011215043 [0,2,0,0,0,0|1,0,0]=3 21319 B13R0.336 COCCCOCCCOCCOC 34a_100000740835_100011216529 [0,2,0,0,0,0|2,0,0]=4 21320 B13R0.336 COCCCOCCCOCCOC 34a_200011215475_100011201679 [0,2,0,0,0,0|2,0,0]=4 21321 B13R0.336 COCCCOCCCOCCOC 7a_200011215475_100000233755 [0,2,0,0,0,0|2,0,0]=4 21322 B13R0.336 COCCCOCCCOCCSC 34a_200011215475_100000212216 [0,2,0,0,0,0|2,0,0]=4 21323 B13R0.336 COCCCOCCCOCCSC 7a_200011215475_100000212216 [0,2,0,0,0,0|2,0,0]=4 21324 B13R0.336 COCCCSCCCCCCC#N 62a_100000709357_100009813337 [0,2,0,0,0,0|1,0,1]=4 21325 B13R0.336 COCCCSCCCCCCC#N 62a_100009813337_100000709357 [0,2,0,0,0,0|1,0,1]=4 21326 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [0,2,0,0,0,0|0,0,0]=2 21327 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [0,2,0,0,0,0|0,0,0]=2 21328 B13R0.336 COCCCSCCCOCCOC 62a_100000709357_100011216529 [0,2,0,0,0,0|2,0,0]=4 21329 B13R0.336 COCCCSCCCOCCOC 62a_100011216529_100000709357 [0,2,0,0,0,0|2,0,0]=4 21330 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [0,2,0,0,0,0|0,0,0]=2 21331 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [0,2,0,0,0,0|0,0,0]=2 21332 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [0,2,0,0,0,0|0,0,0]=2 21333 B13R0.336 COCCNCCOCCOCCO 2230a_100000209980_100000032323 [0,2,0,0,0,0|2,0,0]=4 21334 B13R0.336 COCCNCCOCCOCCO 2230a_100011998139_100011201679 [0,2,0,0,0,0|2,0,0]=4 21335 B13R0.336 COCCNCCOCCOCCO 34a_100011998139_100011201679 [0,2,0,0,0,0|2,0,0]=4 21336 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [0,2,0,0,0,0|1,0,0]=3 21337 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [0,2,0,0,0,0|1,0,0]=3 21338 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [0,2,0,0,0,0|1,0,0]=3 21339 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [0,2,0,0,0,0|1,0,0]=3 21340 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [0,2,0,0,0,0|1,0,0]=3 21341 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [0,2,0,0,0,0|0,0,0]=2 21342 B13R0.336 COCCOCCCCCNCCN 34a_103619048469_100011201679 [0,2,0,0,0,0|2,0,0]=4 21343 B13R0.336 COCCOCCCNCCCCF 2230a_100000206027_100000729493 [0,2,0,0,0,0|2,0,0]=4 21344 B13R0.336 COCCOCCCNCCCCF 34a_100000206027_100000729493 [0,2,0,0,0,0|2,0,0]=4 21345 B13R0.336 COCCOCCCNCCCCO 2230a_100000206027_100000210776 [0,2,0,0,0,0|1,0,0]=3 21346 B13R0.336 COCCOCCCNCCCCO 2230a_100000750430_100011216529 [0,2,0,0,0,0|1,0,0]=3 21347 B13R0.336 COCCOCCCNCCCCO 34a_100000206027_100011216708 [0,2,0,0,0,0|1,0,0]=3 21348 B13R0.336 COCCOCCCNCCCCO 34a_100000750430_100011216529 [0,2,0,0,0,0|1,0,0]=3 21349 B13R0.336 COCCOCCCNCCCSC 2230a_100000749238_100011216529 [0,2,0,0,0,0|2,0,0]=4 21350 B13R0.336 COCCOCCCOCCCCBr 34a_100011216708_100011216529 [0,2,0,0,0,0|2,0,0]=4 21351 B13R0.336 COCCOCCCOCCCCCl 34a_100000210776_100011216529 [0,2,0,0,0,0|2,0,0]=4 21352 B13R0.336 COCCOCCCOCCCCCl 7a_100000210776_100011216529 [0,2,0,0,0,0|2,0,0]=4 21353 B13R0.336 COCCOCCCOCCCCF 34a_100011995726_100011216529 [0,2,0,0,0,0|2,0,0]=4 21354 B13R0.336 COCCOCCCOCCCCF 7a_100011995726_100011216529 [0,2,0,0,0,0|2,0,0]=4 21355 B13R0.336 COCCOCCCOCCCCI 34a_200012148704_100011216529 [0,2,0,0,0,0|2,0,0]=4 21356 B13R0.336 COCCOCCCOCCCCN 34a_100000750430_100011216529 [0,2,0,0,0,0|2,0,0]=4 21357 B13R0.336 COCCOCCCOCCCSC 34a_100000690336_100011216529 [0,2,0,0,0,0|2,0,0]=4 21358 B13R0.336 COCCOCCCOCCCSC 7a_100000690336_100011216529 [0,2,0,0,0,0|2,0,0]=4 21359 B13R0.336 COCCOCCCSCCCCF 62a_100000729493_100011216529 [0,2,0,0,0,0|2,0,0]=4 21360 B13R0.336 COCCOCCCSCCCCF 62a_100011216529_100000729493 [0,2,0,0,0,0|2,0,0]=4 21361 B13R0.336 COCCOCCCSCCCCO 62a_100000210776_100011216529 [0,2,0,0,0,0|1,0,0]=3 21362 B13R0.336 COCCOCCCSCCCCO 62a_100011216529_100000210776 [0,2,0,0,0,0|1,0,0]=3 21363 B13R0.336 COCCOCCNCCCCCF 2230a_100000745349_100000729378 [0,2,0,0,0,0|2,0,0]=4 21364 B13R0.336 COCCOCCNCCCCCF 34a_100000745349_100000729378 [0,2,0,0,0,0|2,0,0]=4 21365 B13R0.336 COCCOCCNCCCCCO 2230a_100000745349_100000746330 [0,2,0,0,0,0|1,0,0]=3 21366 B13R0.336 COCCOCCNCCCCCO 2230a_100000762737_100000695917 [0,2,0,0,0,0|1,0,0]=3 21367 B13R0.336 COCCOCCNCCCCCO 34a_100000745349_100000746330 [0,2,0,0,0,0|1,0,0]=3 21368 B13R0.336 COCCOCCNCCCCCO 34a_100000762737_100000695917 [0,2,0,0,0,0|1,0,0]=3 21369 B13R0.336 COCCOCCNCCOCCO 2230a_100000211614_100000695917 [0,2,0,0,0,0|2,0,0]=4 21370 B13R0.336 COCCOCCNCCOCCO 2230a_100000745349_100011215305 [0,2,0,0,0,0|2,0,0]=4 21371 B13R0.336 COCCOCCNCCOCCO 34a_100000211614_100000695917 [0,2,0,0,0,0|2,0,0]=4 21372 B13R0.336 COCCOCCNCCOCCO 34a_100000745349_100000692535 [0,2,0,0,0,0|2,0,0]=4 21373 B13R0.336 COCCOCCNCCSCCO 2230a_100011219999_100000695917 [0,2,0,0,0,0|2,0,0]=4 21374 B13R0.336 COCCOCCOCCCCCBr 34a_100000746331_100000695917 [0,2,0,0,0,0|2,0,0]=4 21375 B13R0.336 COCCOCCOCCCCCBr 7a_100000746331_100000695917 [0,2,0,0,0,0|2,0,0]=4 21376 B13R0.336 COCCOCCOCCCCCCl 34a_100000746330_100000695917 [0,2,0,0,0,0|2,0,0]=4 21377 B13R0.336 COCCOCCOCCCCCCl 7a_100000746330_100000695917 [0,2,0,0,0,0|2,0,0]=4 21378 B13R0.336 COCCOCCOCCCCCF 34a_100011215163_100000729378 [0,2,0,0,0,0|2,0,0]=4 21379 B13R0.336 COCCOCCOCCCCCF 7a_100011215163_100000729378 [0,2,0,0,0,0|2,0,0]=4 21380 B13R0.336 COCCOCCOCCCCCI 34a_200012148887_100000695917 [0,2,0,0,0,0|2,0,0]=4 21381 B13R0.336 COCCOCCOCCCCCI 7a_200012148887_100000695917 [0,2,0,0,0,0|2,0,0]=4 21382 B13R0.336 COCCOCCOCCCCCN 34a_100000762737_100000695917 [0,2,0,0,0,0|2,0,0]=4 21383 B13R0.336 COCCOCCOCCCCCO 34a_100011215163_100000746330 [0,2,0,0,0,0|1,0,0]=3 21384 B13R0.336 COCCOCCOCCCCCO 7a_100011215163_100000746330 [0,2,0,0,0,0|1,0,0]=3 21385 B13R0.336 COCCOCCOCCCCSC 34a_100011217163_100000695917 [0,2,0,0,0,0|2,0,0]=4 21386 B13R0.336 COCCOCCOCCCCSC 7a_100011217163_100000695917 [0,2,0,0,0,0|2,0,0]=4 21387 B13R0.336 COCCOCCOCCNCCO 2230a_100012028300_100000211926 [0,2,0,0,0,0|2,0,0]=4 21388 B13R0.336 COCCOCCOCCNCCO 2230a_100016997473_100013367474 [0,2,0,0,0,0|2,0,0]=4 21389 B13R0.336 COCCOCCOCCNCCO 34a_100012028300_100000211926 [0,2,0,0,0,0|2,0,0]=4 21390 B13R0.336 COCCOCCOCCNCCO 34a_100016990907_100013367474 [0,2,0,0,0,0|2,0,0]=4 21391 B13R0.336 COCCOCCOCCOCCO 34a_100000210237_100000032323 [0,2,0,0,0,0|2,0,0]=4 21392 B13R0.336 COCCOCCOCCOCCO 34a_100000688194_100000211926 [0,2,0,0,0,0|2,0,0]=4 21393 B13R0.336 COCCOCCOCCOCCO 34a_100011215163_100000692535 [0,2,0,0,0,0|2,0,0]=4 21394 B13R0.336 COCCOCCOCCOCCO 34a_100138415774_100010166562 [0,2,0,0,0,0|2,0,0]=4 21395 B13R0.336 COCCOCCOCCOCCO 7a_100000688194_100000211926 [0,2,0,0,0,0|2,0,0]=4 21396 B13R0.336 COCCOCCOCCOCCO 7a_100011215163_100011215305 [0,2,0,0,0,0|2,0,0]=4 21397 B13R0.336 COCCOCCOCCSCCO 62a_100000211926_100013367474 [0,2,0,0,0,0|2,0,0]=4 21398 B13R0.336 COCCOCCOCCSCCO 62a_100013367474_100000211926 [0,2,0,0,0,0|2,0,0]=4 21399 B13R0.336 COCCOCCSCCCCCF 62a_100000695917_100000729378 [0,2,0,0,0,0|2,0,0]=4 21400 B13R0.336 COCCOCCSCCCCCF 62a_100000729378_100000695917 [0,2,0,0,0,0|2,0,0]=4 21401 B13R0.336 COCCOCCSCCCCCO 62a_100000695917_100000746330 [0,2,0,0,0,0|1,0,0]=3 21402 B13R0.336 COCCOCCSCCCCCO 62a_100000746330_100000695917 [0,2,0,0,0,0|1,0,0]=3 21403 B13R0.336 COCCOCCSCCOCCO 62a_100000695917_100011215305 [0,2,0,0,0,0|2,0,0]=4 21404 B13R0.336 COCCOCCSCCOCCO 62a_100011215305_100000695917 [0,2,0,0,0,0|2,0,0]=4 21405 B13R0.336 COCCOCNCCCCCCO 2230a_100000686447_100000231047 [0,2,0,0,0,0|1,0,0]=3 21406 B13R0.336 COCCOCSCCCCCCF 62a_100000231047_100015922095 [0,2,0,0,0,0|2,0,0]=4 21407 B13R0.336 COCCOCSCCCCCCF 62a_100015922095_100000231047 [0,2,0,0,0,0|2,0,0]=4 21408 B13R0.336 COCCOCSCCCCCCO 62a_100000231047_100000766143 [0,2,0,0,0,0|1,0,0]=3 21409 B13R0.336 COCCOCSCCCCCCO 62a_100000766143_100000231047 [0,2,0,0,0,0|1,0,0]=3 21410 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [0,2,0,0,0,0|0,0,0]=2 21411 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [0,2,0,0,0,0|0,0,0]=2 21412 B13R0.336 COCCSCCOCCOCCO 62a_100000032323_100000233755 [0,2,0,0,0,0|2,0,0]=4 21413 B13R0.336 COCCSCCOCCOCCO 62a_100000233755_100000032323 [0,2,0,0,0,0|2,0,0]=4 21414 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [0,2,0,0,0,0|0,0,0]=2 21415 B13R0.336 COCNCCCOCCOCCO 2230a_100011996194_100000766300 [0,2,0,0,0,0|2,0,0]=4 21416 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [0,2,0,0,0,0|0,0,0]=2 21417 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [0,2,0,0,0,0|0,0,0]=2 21418 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [0,2,0,0,0,0|0,0,0]=2 21419 B13R0.336 CSCCCCOCCCCCC#N 7a_100011217163_100009813376 [0,2,0,0,0,0|1,0,1]=4 21420 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [0,2,0,0,0,0|0,0,2]=4 21421 B13R0.336 CSCCCCOCCCCCCF 34a_100011217163_100015922095 [0,2,0,0,0,0|1,0,0]=3 21422 B13R0.336 CSCCCCOCCCCCCF 7a_100011217163_100015922095 [0,2,0,0,0,0|1,0,0]=3 21423 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [0,2,0,0,0,0|0,0,0]=2 21424 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [0,2,0,0,0,0|0,0,0]=2 21425 B13R0.336 CSCCCNCCCCCCC#N 2230a_100000749238_100009813337 [0,2,0,0,0,0|1,0,1]=4 21426 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [0,2,0,0,0,0|0,0,0]=2 21427 B13R0.336 CSCCCOCCCCCCC#N 7a_100000690336_100009813337 [0,2,0,0,0,0|1,0,1]=4 21428 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [0,2,0,0,0,0|0,0,0]=2 21429 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [0,2,0,0,0,0|0,0,0]=2 21430 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [0,2,0,0,0,0|0,0,0]=2 21431 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [0,2,0,0,0,0|0,0,0]=2 21432 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [0,2,0,0,0,0|0,0,0]=2 21433 B13R0.336 CSCCNCCOCCOCCO 2230a_100011998139_100000751147 [0,2,0,0,0,0|2,0,0]=4 21434 B13R0.336 CSCCNCCOCCOCCO 2230a_100020590264_100000032323 [0,2,0,0,0,0|2,0,0]=4 21435 B13R0.336 CSCCNCCOCCOCCO 34a_100011998139_100000212216 [0,2,0,0,0,0|2,0,0]=4 21436 B13R0.336 CSCCOCCCCCCCCBr 34a_100009813846_100000212216 [0,2,0,0,0,0|1,0,0]=3 21437 B13R0.336 CSCCOCCCCCCCCBr 7a_100009813846_100000212216 [0,2,0,0,0,0|1,0,0]=3 21438 B13R0.336 CSCCOCCCCCCCCCl 34a_100000033203_100000212216 [0,2,0,0,0,0|1,0,0]=3 21439 B13R0.336 CSCCOCCCCCCCCCl 7a_100000033203_100000212216 [0,2,0,0,0,0|1,0,0]=3 21440 B13R0.336 CSCCOCCCCCCCCN 34a_102515433106_100000212216 [0,2,0,0,0,0|1,0,0]=3 21441 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [0,2,0,0,0,0|0,0,0]=2 21442 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [0,2,0,0,0,0|0,0,0]=2 21443 B13R0.336 CSCCOCCCCCNCCN 34a_103619048469_100000212216 [0,2,0,0,0,0|2,0,0]=4 21444 B13R0.336 CSCCOCCOCCOCCO 34a_100000230434_100000032323 [0,2,0,0,0,0|2,0,0]=4 21445 B13R0.336 CSCCOCCOCCOCCO 62a_100010166562_200000210301 [0,2,0,0,0,0|2,0,0]=4 21446 B13R0.336 CSCCOCCOCCOCCO 62a_200000210301_100010166562 [0,2,0,0,0,0|2,0,0]=4 21447 B13R0.336 CSCCOCCOCCOCCO 7a_100000230434_100000032323 [0,2,0,0,0,0|2,0,0]=4 21448 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [0,2,0,0,0,0|0,0,0]=2 21449 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [0,2,0,0,0,0|0,0,0]=2 21450 B13R0.336 CSCCSCCOCCOCCO 62a_100000032323_100000751147 [0,2,0,0,0,0|2,0,0]=4 21451 B13R0.336 CSCCSCCOCCOCCO 62a_100000212216_100000032323 [0,2,0,0,0,0|2,0,0]=4 21452 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [0,2,0,0,0,0|0,0,0]=2 21453 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [0,2,0,0,0,0|0,0,0]=2 21454 B13R0.336 CSCNCCCOCCOCCO 2230a_100011996194_100011218213 [0,2,0,0,0,0|2,0,0]=4 21455 B13R0.336 CSCNCCCOCCOCCO 34a_100011996194_100011218213 [0,2,0,0,0,0|2,0,0]=4 21456 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [0,2,0,0,0,0|1,0,0]=3 21457 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [0,2,0,0,0,0|1,0,0]=3 21458 B13R0.336 CSCOCCCCCCCCCN 34a_100000078944_100011218213 [0,2,0,0,0,0|1,0,0]=3 21459 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [0,2,0,0,0,0|0,0,0]=2 21460 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [0,2,0,0,0,0|0,0,0]=2 21461 B13R0.336 FCCCCCCOCCCCCBr 34a_100000746331_100015922095 [0,2,0,0,0,0|1,0,0]=3 21462 B13R0.336 FCCCCCCOCCCCCBr 7a_100000746331_100015922095 [0,2,0,0,0,0|1,0,0]=3 21463 B13R0.336 FCCCCCCOCCCCCCl 34a_100000746330_100015922095 [0,2,0,0,0,0|1,0,0]=3 21464 B13R0.336 FCCCCCCOCCCCCCl 7a_100000746330_100015922095 [0,2,0,0,0,0|1,0,0]=3 21465 B13R0.336 FCCCCCCOCCCCCF 34a_100000732779_100000729378 [0,2,0,0,0,0|1,0,0]=3 21466 B13R0.336 FCCCCCCOCCCCCF 7a_100000732779_100000729378 [0,2,0,0,0,0|1,0,0]=3 21467 B13R0.336 FCCCCCCOCCCCCI 34a_200012148887_100015922095 [0,2,0,0,0,0|1,0,0]=3 21468 B13R0.336 FCCCCCCOCCCCCI 7a_200012148887_100015922095 [0,2,0,0,0,0|1,0,0]=3 21469 B13R0.336 FCCCCCCOCCOCCBr 34a_100000692535_100015922095 [0,2,0,0,0,0|2,0,0]=4 21470 B13R0.336 FCCCCCCOCCOCCBr 7a_100000692535_100015922095 [0,2,0,0,0,0|2,0,0]=4 21471 B13R0.336 FCCCCCCOCCOCCCl 34a_100011215305_100015922095 [0,2,0,0,0,0|2,0,0]=4 21472 B13R0.336 FCCCCCCOCCOCCCl 7a_100011215305_100015922095 [0,2,0,0,0,0|2,0,0]=4 21473 B13R0.336 FCCCCCCOCCOCCF 34a_200015357709_100015922095 [0,2,0,0,0,0|2,0,0]=4 21474 B13R0.336 FCCCCCCOCCOCCF 7a_200015357709_100015922095 [0,2,0,0,0,0|2,0,0]=4 21475 B13R0.336 FCCCCCCOCCOCCI 34a_100012149058_100015922095 [0,2,0,0,0,0|2,0,0]=4 21476 B13R0.336 FCCCCCCOCCOCCI 7a_100012149058_100015922095 [0,2,0,0,0,0|2,0,0]=4 21477 B13R0.336 FCCCCCCSCCCCCF 62a_100000729378_100015922095 [0,2,0,0,0,0|1,0,0]=3 21478 B13R0.336 FCCCCCCSCCCCCF 62a_100015922095_100000729378 [0,2,0,0,0,0|1,0,0]=3 21479 B13R0.336 FCCCCCOCCCCCCBr 34a_100011215345_100000729378 [0,2,0,0,0,0|1,0,0]=3 21480 B13R0.336 FCCCCCOCCCCCCBr 7a_100011215345_100000729378 [0,2,0,0,0,0|1,0,0]=3 21481 B13R0.336 FCCCCCOCCCCCCCl 34a_100000766143_100000729378 [0,2,0,0,0,0|1,0,0]=3 21482 B13R0.336 FCCCCCOCCCCCCCl 7a_100000766143_100000729378 [0,2,0,0,0,0|1,0,0]=3 21483 B13R0.336 FCCCCOCCCCCCCBr 34a_100000760002_100000729493 [0,2,0,0,0,0|1,0,0]=3 21484 B13R0.336 FCCCCOCCCCCCCBr 7a_100000760002_100000729493 [0,2,0,0,0,0|1,0,0]=3 21485 B13R0.336 FCCCOCCCCCCCCBr 34a_100009813846_100011934791 [0,2,0,0,0,0|1,0,0]=3 21486 B13R0.336 FCCCOCCCCCCCCBr 7a_100009813846_100011934791 [0,2,0,0,0,0|1,0,0]=3 21487 B13R0.336 FCCCOCCCCCCCCCl 34a_100000033203_100011934791 [0,2,0,0,0,0|1,0,0]=3 21488 B13R0.336 FCCCOCCCCCCCCCl 7a_100000033203_100011934791 [0,2,0,0,0,0|1,0,0]=3 21489 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [0,2,0,0,0,0|1,0,0]=3 21490 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [0,2,0,0,0,0|1,0,0]=3 21491 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [0,2,0,0,0,0|1,0,0]=3 21492 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [0,2,0,0,0,0|1,0,0]=3 21493 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [0,2,0,0,0,0|1,0,0]=3 21494 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [0,2,0,0,0,0|1,0,0]=3 21495 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [0,2,0,0,0,0|1,0,0]=3 21496 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [0,2,0,0,0,0|1,0,0]=3 21497 B13R0.336 N#CCCCCCCNCCCCO 2230a_100000750430_100009813337 [0,2,0,0,0,0|0,0,1]=3 21498 B13R0.336 N#CCCCCCCOCCCCCl 7a_100000210776_100009813337 [0,2,0,0,0,0|1,0,1]=4 21499 B13R0.336 N#CCCCCCCOCCCCF 7a_100011995726_100009813337 [0,2,0,0,0,0|1,0,1]=4 21500 B13R0.336 N#CCCCCCCSCCCCF 62a_100000729493_100009813337 [0,2,0,0,0,0|1,0,1]=4 21501 B13R0.336 N#CCCCCCCSCCCCF 62a_100009813337_100000729493 [0,2,0,0,0,0|1,0,1]=4 21502 B13R0.336 N#CCCCCCCSCCCCO 62a_100000210776_100009813337 [0,2,0,0,0,0|0,0,1]=3 21503 B13R0.336 N#CCCCCCCSCCCCO 62a_100009813337_100000210776 [0,2,0,0,0,0|0,0,1]=3 21504 B13R0.336 N#CCCCCCNCCCCCO 2230a_100000762737_100009813376 [0,2,0,0,0,0|0,0,1]=3 21505 B13R0.336 N#CCCCCCNCCOCCO 2230a_100000211614_100009813376 [0,2,0,0,0,0|1,0,1]=4 21506 B13R0.336 N#CCCCCCNCCSCCO 2230a_100011219999_100009813376 [0,2,0,0,0,0|1,0,1]=4 21507 B13R0.336 N#CCCCCCOCCCCCBr 7a_100000746331_100009813376 [0,2,0,0,0,0|1,0,1]=4 21508 B13R0.336 N#CCCCCCOCCCCCCl 7a_100000746330_100009813376 [0,2,0,0,0,0|1,0,1]=4 21509 B13R0.336 N#CCCCCCOCCCCCI 7a_200012148887_100009813376 [0,2,0,0,0,0|1,0,1]=4 21510 B13R0.336 N#CCCCCCSCCCCCF 62a_100000729378_100009813376 [0,2,0,0,0,0|1,0,1]=4 21511 B13R0.336 N#CCCCCCSCCCCCF 62a_100009813376_100000729378 [0,2,0,0,0,0|1,0,1]=4 21512 B13R0.336 N#CCCCCCSCCCCCO 62a_100000746330_100009813376 [0,2,0,0,0,0|0,0,1]=3 21513 B13R0.336 N#CCCCCCSCCCCCO 62a_100009813376_100000746330 [0,2,0,0,0,0|0,0,1]=3 21514 B13R0.336 N#CCCCCCSCCOCCO 62a_100009813376_100011215305 [0,2,0,0,0,0|1,0,1]=4 21515 B13R0.336 N#CCCCCCSCCOCCO 62a_100011215305_100009813376 [0,2,0,0,0,0|1,0,1]=4 21516 B13R0.336 N#CCCCCNCCCCCCO 2230a_100000686447_100000211819 [0,2,0,0,0,0|0,0,1]=3 21517 B13R0.336 N#CCCCCOCCCCCCBr 7a_100011215345_100000211819 [0,2,0,0,0,0|1,0,1]=4 21518 B13R0.336 N#CCCCCOCCCCCCCl 7a_100000766143_100000211819 [0,2,0,0,0,0|1,0,1]=4 21519 B13R0.336 N#CCCCCOCCCCCCF 7a_100000732779_100000211819 [0,2,0,0,0,0|1,0,1]=4 21520 B13R0.336 N#CCCCCSCCCCCCF 62a_100011219923_100015922095 [0,2,0,0,0,0|1,0,1]=4 21521 B13R0.336 N#CCCCCSCCCCCCF 62a_100015922095_100000211819 [0,2,0,0,0,0|1,0,1]=4 21522 B13R0.336 N#CCCCCSCCCCCCO 62a_100000766143_100000211819 [0,2,0,0,0,0|0,0,1]=3 21523 B13R0.336 N#CCCCCSCCCCCCO 62a_100011219923_100000766143 [0,2,0,0,0,0|0,0,1]=3 21524 B13R0.336 N#CCCCNCCCCCCCO 2230a_100011996573_100000687738 [0,2,0,0,0,0|0,0,1]=3 21525 B13R0.336 N#CCCCNCCCOCCCO 2230a_100011310245_100000687738 [0,2,0,0,0,0|1,0,1]=4 21526 B13R0.336 N#CCCCOCCCCCCCBr 7a_100000760002_100000687738 [0,2,0,0,0,0|1,0,1]=4 21527 B13R0.336 N#CCCCSCCCCCCCO 62a_100000687738_100000760002 [0,2,0,0,0,0|0,0,1]=3 21528 B13R0.336 N#CCCCSCCCCCCCO 62a_100000760002_100000687738 [0,2,0,0,0,0|0,0,1]=3 21529 B13R0.336 N#CCCNCCCCCCCCO 2230a_102515433106_100011215226 [0,2,0,0,0,0|0,0,1]=3 21530 B13R0.336 N#CCCOCCCCCCCCBr 7a_100009813846_100000184422 [0,2,0,0,0,0|1,0,1]=4 21531 B13R0.336 N#CCCOCCCCCCCCCl 7a_100000033203_100000184422 [0,2,0,0,0,0|1,0,1]=4 21532 B13R0.336 N#CCCSCCCCCCCCO 62a_100000033203_100011215226 [0,2,0,0,0,0|0,0,1]=3 21533 B13R0.336 N#CCCSCCCCCCCCO 62a_100011215226_100000033203 [0,2,0,0,0,0|0,0,1]=3 21534 B13R0.336 N#CCNCCCCCCCCCO 2230a_100000078944_100011215382 [0,2,0,0,0,0|0,0,1]=3 21535 B13R0.336 N#CCOCCCCCCCCCBr 7a_100009813782_100011215382 [0,2,0,0,0,0|1,0,1]=4 21536 B13R0.336 N#CCOCCCCCCCCCCl 7a_100009868337_100011215382 [0,2,0,0,0,0|1,0,1]=4 21537 B13R0.336 N#CCOCCNCCCCCCO 2230a_100000686447_200000047693 [0,2,0,0,0,0|1,0,1]=4 21538 B13R0.336 N#CCOCCSCCCCCCO 62a_100000766143_200000047693 [0,2,0,0,0,0|1,0,1]=4 21539 B13R0.336 N#CCOCCSCCCCCCO 62a_200000047693_100000766143 [0,2,0,0,0,0|1,0,1]=4 21540 B13R0.336 N#CCSCCCCCCCCCO 62a_100009813782_100011215382 [0,2,0,0,0,0|0,0,1]=3 21541 B13R0.336 N#CCSCCCCCCCCCO 62a_100011215382_100009813782 [0,2,0,0,0,0|0,0,1]=3 21542 B13R0.336 N#CSCCSCCCCCCCO 62a_100000034367_100000760002 [0,2,0,0,0,0|1,0,1]=4 21543 B13R0.336 N#CSCCSCCCCCCCO 62a_100000760002_100000034367 [0,2,0,0,0,0|1,0,1]=4 21544 B13R0.336 N#CSCSCCCCCCCCO 62a_100000033203_100000211825 [0,2,0,0,0,0|1,0,1]=4 21545 B13R0.336 N#CSCSCCCCCCCCO 62a_100000211825_100000033203 [0,2,0,0,0,0|1,0,1]=4 21546 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [0,2,0,0,0,0|1,0,0]=3 21547 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [0,2,0,0,0,0|0,0,2]=4 21548 B13R0.336 NCCCCCCCCCOCCF 34a_100000078944_100011217306 [0,2,0,0,0,0|1,0,0]=3 21549 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,0]=2 21550 B13R0.336 NCCCCCCCCOCCCF 34a_102515433106_100011934791 [0,2,0,0,0,0|1,0,0]=3 21551 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,0]=2 21552 B13R0.336 NCCCCCCCOCC#CCO 34a_100011996573_200000047223 [0,2,0,0,0,0|0,0,2]=4 21553 B13R0.336 NCCCCCCCOCCCCF 34a_100011996573_100000729493 [0,2,0,0,0,0|1,0,0]=3 21554 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,0]=2 21555 B13R0.336 NCCCCCCOCCCCCF 34a_100000686447_100000729378 [0,2,0,0,0,0|1,0,0]=3 21556 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,0]=2 21557 B13R0.336 NCCCCCCOCCOCCO 34a_100000686447_100000692535 [0,2,0,0,0,0|1,0,0]=3 21558 B13R0.336 NCCCCCOCCCCCCF 34a_100000762737_100015922095 [0,2,0,0,0,0|1,0,0]=3 21559 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,0]=2 21560 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,0]=2 21561 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [0,2,0,0,0,0|0,0,0]=2 21562 B13R0.336 NCCCOCCCOCCCCF 34a_100011310245_100000729493 [0,2,0,0,0,0|2,0,0]=4 21563 B13R0.336 NCCCOCCCOCCCCO 34a_100011310245_100011216708 [0,2,0,0,0,0|1,0,0]=3 21564 B13R0.336 NCCCOCCOCCOCCO 34a_100000182051_100000032323 [0,2,0,0,0,0|2,0,0]=4 21565 B13R0.336 NCCCOCCOCCOCCO 34a_100011996194_100000211926 [0,2,0,0,0,0|2,0,0]=4 21566 B13R0.336 NCCNCCCCCOCCCF 34a_103619048469_100011934791 [0,2,0,0,0,0|2,0,0]=4 21567 B13R0.336 NCCNCCCCCOCCCO 34a_103619048469_100000230001 [0,2,0,0,0,0|1,0,0]=3 21568 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [0,2,0,0,0,0|0,0,0]=2 21569 B13R0.336 NCCOCCOCCCCCCF 34a_100000211614_100015922095 [0,2,0,0,0,0|2,0,0]=4 21570 B13R0.336 NCCOCCOCCCCCCO 34a_100000211614_100000766143 [0,2,0,0,0,0|1,0,0]=3 21571 B13R0.336 NCCOCCOCCOCCCO 34a_100011998139_100000230001 [0,2,0,0,0,0|2,0,0]=4 21572 B13R0.336 NOCCOCCCCCCCCO 34a_100000700252_100000033203 [0,2,0,0,0,0|1,0,0]=3 21573 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [0,2,0,0,0,0|0,0,1]=3 21574 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [0,2,0,0,0,0|1,0,1]=4 21575 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [0,2,0,0,0,0|1,0,1]=4 21576 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [0,2,0,0,0,0|0,0,2]=4 21577 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [0,2,0,0,0,0|0,0,2]=4 21578 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [0,2,0,0,0,0|0,0,2]=4 21579 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [0,2,0,0,0,0|0,0,2]=4 21580 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [0,2,0,0,0,0|0,0,2]=4 21581 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [0,2,0,0,0,0|0,0,1]=3 21582 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [0,2,0,0,0,0|0,0,1]=3 21583 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [0,2,0,0,0,0|1,0,1]=4 21584 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [0,2,0,0,0,0|1,0,1]=4 21585 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [0,2,0,0,0,0|0,0,1]=3 21586 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [0,2,0,0,0,0|0,0,2]=4 21587 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [0,2,0,0,0,0|0,0,2]=4 21588 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [0,2,0,0,0,0|0,0,2]=4 21589 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [0,2,0,0,0,0|0,0,2]=4 21590 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [0,2,0,0,0,0|0,0,2]=4 21591 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [0,2,0,0,0,0|0,0,1]=3 21592 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [0,2,0,0,0,0|0,0,1]=3 21593 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [0,2,0,0,0,0|0,0,1]=3 21594 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [0,2,0,0,0,0|1,0,1]=4 21595 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [0,2,0,0,0,0|0,0,2]=4 21596 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [0,2,0,0,0,0|0,0,1]=3 21597 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [0,2,0,0,0,0|0,0,1]=3 21598 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [0,2,0,0,0,0|0,0,1]=3 21599 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [0,2,0,0,0,0|0,0,1]=3 21600 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [0,2,0,0,0,0|0,0,2]=4 21601 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [0,2,0,0,0,0|0,0,2]=4 21602 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [0,2,0,0,0,0|0,0,2]=4 21603 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [0,2,0,0,0,0|0,0,2]=4 21604 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [0,2,0,0,0,0|0,0,1]=3 21605 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [0,2,0,0,0,0|0,0,1]=3 21606 B13R0.336 OCC#CCNCCCCCCCO 2230a_100011996573_200000047223 [0,2,0,0,0,0|0,0,2]=4 21607 B13R0.336 OCC#CCNCCCCCCCO 34a_100011996573_200000047223 [0,2,0,0,0,0|0,0,2]=4 21608 B13R0.336 OCC#CCOCCCCCCCBr 34a_100000760002_200000047223 [0,2,0,0,0,0|0,0,2]=4 21609 B13R0.336 OCC#CCOCCCCCCCBr 7a_100000760002_200000047223 [0,2,0,0,0,0|0,0,2]=4 21610 B13R0.336 OCC#CCSCCCCCCCO 62a_100000760002_200000047223 [0,2,0,0,0,0|0,0,2]=4 21611 B13R0.336 OCC#CCSCCCCCCCO 62a_200000047223_100000760002 [0,2,0,0,0,0|0,0,2]=4 21612 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [0,2,0,0,0,0|0,0,0]=2 21613 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [0,2,0,0,0,0|0,0,0]=2 21614 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [0,2,0,0,0,0|0,0,0]=2 21615 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [0,2,0,0,0,0|0,0,0]=2 21616 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [0,2,0,0,0,0|0,0,0]=2 21617 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [0,2,0,0,0,0|0,0,0]=2 21618 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [0,2,0,0,0,0|0,0,0]=2 21619 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [0,2,0,0,0,0|0,0,0]=2 21620 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,0]=2 21621 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [0,2,0,0,0,0|0,0,0]=2 21622 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [0,2,0,0,0,0|0,0,0]=2 21623 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [0,2,0,0,0,0|0,0,0]=2 21624 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [0,2,0,0,0,0|0,0,0]=2 21625 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [0,2,0,0,0,0|0,0,0]=2 21626 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [0,2,0,0,0,0|0,0,0]=2 21627 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [0,2,0,0,0,0|0,0,0]=2 21628 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [0,2,0,0,0,0|0,0,0]=2 21629 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [0,2,0,0,0,0|0,0,0]=2 21630 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [0,2,0,0,0,0|0,0,0]=2 21631 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [0,2,0,0,0,0|0,0,0]=2 21632 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,0]=2 21633 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [0,2,0,0,0,0|0,0,0]=2 21634 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [0,2,0,0,0,0|0,0,0]=2 21635 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [0,2,0,0,0,0|0,0,0]=2 21636 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [0,2,0,0,0,0|0,0,0]=2 21637 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [0,2,0,0,0,0|0,0,0]=2 21638 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [0,2,0,0,0,0|0,0,0]=2 21639 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [0,2,0,0,0,0|0,0,0]=2 21640 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [0,2,0,0,0,0|0,0,0]=2 21641 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [0,2,0,0,0,0|0,0,0]=2 21642 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [0,2,0,0,0,0|0,0,0]=2 21643 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [0,2,0,0,0,0|0,0,0]=2 21644 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,0]=2 21645 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,0]=2 21646 B13R0.336 OCCCCCCCOCC#CCCl 34a_200000047223_100000760002 [0,2,0,0,0,0|0,0,2]=4 21647 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [0,2,0,0,0,0|0,0,0]=2 21648 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [0,2,0,0,0,0|0,0,0]=2 21649 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [0,2,0,0,0,0|0,0,0]=2 21650 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [0,2,0,0,0,0|0,0,0]=2 21651 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [0,2,0,0,0,0|0,0,0]=2 21652 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [0,2,0,0,0,0|0,0,0]=2 21653 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [0,2,0,0,0,0|0,0,0]=2 21654 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [0,2,0,0,0,0|0,0,0]=2 21655 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [0,2,0,0,0,0|0,0,0]=2 21656 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [0,2,0,0,0,0|0,0,0]=2 21657 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [0,2,0,0,0,0|0,0,0]=2 21658 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [0,2,0,0,0,0|0,0,0]=2 21659 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [0,2,0,0,0,0|0,0,0]=2 21660 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [0,2,0,0,0,0|0,0,0]=2 21661 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,0]=2 21662 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,0]=2 21663 B13R0.336 OCCCCCCNCCOCCO 2230a_100000211614_100000766143 [0,2,0,0,0,0|1,0,0]=3 21664 B13R0.336 OCCCCCCNCCOCCO 2230a_100000686447_100011215305 [0,2,0,0,0,0|1,0,0]=3 21665 B13R0.336 OCCCCCCNCCOCCO 34a_100000211614_100000766143 [0,2,0,0,0,0|1,0,0]=3 21666 B13R0.336 OCCCCCCNCCOCCO 34a_100000686447_100000692535 [0,2,0,0,0,0|1,0,0]=3 21667 B13R0.336 OCCCCCCNCCSCCO 2230a_100011219999_100000766143 [0,2,0,0,0,0|1,0,0]=3 21668 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [0,2,0,0,0,0|0,0,0]=2 21669 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [0,2,0,0,0,0|0,0,0]=2 21670 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [0,2,0,0,0,0|0,0,0]=2 21671 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [0,2,0,0,0,0|0,0,0]=2 21672 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [0,2,0,0,0,0|0,0,0]=2 21673 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [0,2,0,0,0,0|0,0,0]=2 21674 B13R0.336 OCCCCCCOCCOCCBr 34a_100000692535_100000766143 [0,2,0,0,0,0|1,0,0]=3 21675 B13R0.336 OCCCCCCOCCOCCBr 7a_100000692535_100000766143 [0,2,0,0,0,0|1,0,0]=3 21676 B13R0.336 OCCCCCCOCCOCCCl 34a_100011215305_100000766143 [0,2,0,0,0,0|1,0,0]=3 21677 B13R0.336 OCCCCCCOCCOCCCl 7a_100011215305_100000766143 [0,2,0,0,0,0|1,0,0]=3 21678 B13R0.336 OCCCCCCOCCOCCF 34a_200015357709_100000766143 [0,2,0,0,0,0|1,0,0]=3 21679 B13R0.336 OCCCCCCOCCOCCF 7a_200015357709_100000766143 [0,2,0,0,0,0|1,0,0]=3 21680 B13R0.336 OCCCCCCOCCOCCI 34a_100012149058_100000766143 [0,2,0,0,0,0|1,0,0]=3 21681 B13R0.336 OCCCCCCOCCOCCI 7a_100012149058_100000766143 [0,2,0,0,0,0|1,0,0]=3 21682 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [0,2,0,0,0,0|0,0,0]=2 21683 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [0,2,0,0,0,0|0,0,0]=2 21684 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [0,2,0,0,0,0|0,0,0]=2 21685 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [0,2,0,0,0,0|0,0,0]=2 21686 B13R0.336 OCCCCCCSCCOCCO 62a_100000766143_100011215305 [0,2,0,0,0,0|1,0,0]=3 21687 B13R0.336 OCCCCCCSCCOCCO 62a_100011215305_100000766143 [0,2,0,0,0,0|1,0,0]=3 21688 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [0,2,0,0,0,0|0,0,0]=2 21689 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [0,2,0,0,0,0|0,0,0]=2 21690 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [0,2,0,0,0,0|0,0,0]=2 21691 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [0,2,0,0,0,0|0,0,0]=2 21692 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [0,2,0,0,0,0|0,0,0]=2 21693 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [0,2,0,0,0,0|0,0,0]=2 21694 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [0,2,0,0,0,0|0,0,0]=2 21695 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [0,2,0,0,0,0|0,0,0]=2 21696 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [0,2,0,0,0,0|0,0,0]=2 21697 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [0,2,0,0,0,0|0,0,0]=2 21698 B13R0.336 OCCCCNCCCOCCCO 2230a_100011310245_100000210776 [0,2,0,0,0,0|1,0,0]=3 21699 B13R0.336 OCCCCNCCCOCCCO 34a_100011310245_100011216708 [0,2,0,0,0,0|1,0,0]=3 21700 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [0,2,0,0,0,0|0,0,0]=2 21701 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [0,2,0,0,0,0|0,0,0]=2 21702 B13R0.336 OCCCNCCOCCOCCO 2230a_100011998139_100000230001 [0,2,0,0,0,0|2,0,0]=4 21703 B13R0.336 OCCCNCCOCCOCCO 34a_100011998139_100000230001 [0,2,0,0,0,0|2,0,0]=4 21704 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [0,2,0,0,0,0|0,0,0]=2 21705 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [0,2,0,0,0,0|0,0,0]=2 21706 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [0,2,0,0,0,0|0,0,0]=2 21707 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [0,2,0,0,0,0|0,0,0]=2 21708 B13R0.336 OCCCOCCCNCCCCF 2230a_100011310245_100000729493 [0,2,0,0,0,0|1,0,0]=3 21709 B13R0.336 OCCCOCCCNCCCCF 34a_100011310245_100000729493 [0,2,0,0,0,0|1,0,0]=3 21710 B13R0.336 OCCCOCCOCCOCCBr 34a_100010132937_100000230001 [0,2,0,0,0,0|2,0,0]=4 21711 B13R0.336 OCCCOCCOCCOCCBr 7a_100010132937_100011215043 [0,2,0,0,0,0|2,0,0]=4 21712 B13R0.336 OCCCOCCOCCOCCCl 34a_100000032323_100000230001 [0,2,0,0,0,0|2,0,0]=4 21713 B13R0.336 OCCCOCCOCCOCCCl 7a_100000032323_100011215043 [0,2,0,0,0,0|2,0,0]=4 21714 B13R0.336 OCCCSCCOCCOCCO 62a_100000032323_100011215043 [0,2,0,0,0,0|2,0,0]=4 21715 B13R0.336 OCCCSCCOCCOCCO 62a_100011215043_100000032323 [0,2,0,0,0,0|2,0,0]=4 21716 B13R0.336 OCCNCCCOCCOCCO 2230a_100011996194_100000211926 [0,2,0,0,0,0|2,0,0]=4 21717 B13R0.336 OCCNCCCOCCOCCO 34a_100011996194_100000211926 [0,2,0,0,0,0|2,0,0]=4 21718 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [0,2,0,0,0,0|0,0,0]=2 21719 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [0,2,0,0,0,0|0,0,0]=2 21720 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [0,2,0,0,0,0|0,0,0]=2 21721 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [0,2,0,0,0,0|0,0,0]=2 21722 B13R0.336 OCCOCCNCCCCCCF 2230a_100000211614_100015922095 [0,2,0,0,0,0|1,0,0]=3 21723 B13R0.336 OCCOCCNCCCCCCF 34a_100000211614_100015922095 [0,2,0,0,0,0|1,0,0]=3 21724 B13R0.336 OCCOCCOCCCCCCBr 34a_100011215345_100000692535 [0,2,0,0,0,0|1,0,0]=3 21725 B13R0.336 OCCOCCOCCCCCCBr 7a_100011215345_100011215305 [0,2,0,0,0,0|1,0,0]=3 21726 B13R0.336 OCCOCCOCCCCCCCl 34a_100000766143_100000692535 [0,2,0,0,0,0|1,0,0]=3 21727 B13R0.336 OCCOCCOCCCCCCCl 7a_100000766143_100011215305 [0,2,0,0,0,0|1,0,0]=3 21728 B13R0.336 OCCOCCOCCCCCCF 34a_100000732779_100000692535 [0,2,0,0,0,0|1,0,0]=3 21729 B13R0.336 OCCOCCOCCCCCCF 7a_100000732779_100011215305 [0,2,0,0,0,0|1,0,0]=3 21730 B13R0.336 OCCOCCOCCCNCCF 2230a_100011996194_100011217306 [0,2,0,0,0,0|2,0,0]=4 21731 B13R0.336 OCCOCCOCCCNCCF 34a_100011996194_100011217306 [0,2,0,0,0,0|2,0,0]=4 21732 B13R0.336 OCCOCCOCCNCCCF 2230a_100011998139_100011934791 [0,2,0,0,0,0|2,0,0]=4 21733 B13R0.336 OCCOCCOCCNCCCF 2230a_100015189416_100000032323 [0,2,0,0,0,0|2,0,0]=4 21734 B13R0.336 OCCOCCOCCNCCCF 34a_100011998139_100011934791 [0,2,0,0,0,0|2,0,0]=4 21735 B13R0.336 OCCOCCOCCNCCCF 34a_100015189416_100000032323 [0,2,0,0,0,0|2,0,0]=4 21736 B13R0.336 OCCOCCOCCOCCCBr 34a_100011217188_100000032323 [0,2,0,0,0,0|2,0,0]=4 21737 B13R0.336 OCCOCCOCCOCCCCl 34a_100000230001_100000032323 [0,2,0,0,0,0|2,0,0]=4 21738 B13R0.336 OCCOCCOCCOCCCF 34a_100000759539_100000032323 [0,2,0,0,0,0|2,0,0]=4 21739 B13R0.336 OCCOCCOCCSCCCF 62a_100000032323_100011934791 [0,2,0,0,0,0|2,0,0]=4 21740 B13R0.336 OCCOCCOCCSCCCF 62a_100011934791_100000032323 [0,2,0,0,0,0|2,0,0]=4 21741 B13R0.336 OCCOCCSCCCCCCF 62a_100011215305_100015922095 [0,2,0,0,0,0|1,0,0]=3 21742 B13R0.336 OCCOCCSCCCCCCF 62a_100015922095_100011215305 [0,2,0,0,0,0|1,0,0]=3 21743 B13R0.336 OCCSCCNCCCCCCF 2230a_100011219999_100015922095 [0,2,0,0,0,0|1,0,0]=3 21744 B13R0.336 [13CH3]NCCOCCOCCOCCO 2230a_103437854208_200025704644 [0,2,0,0,0,0|2,0,0]=4 21745 B13R0.336 [13CH3]NCCOCCOCCOCCO 34a_103437854208_200025704644 [0,2,0,0,0,0|2,0,0]=4 21746 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [0,2,0,0,0,0|0,0,0]=2 21747 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [0,2,0,0,0,0|0,0,0]=2 21748 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [0,2,0,0,0,0|0,0,0]=2 21749 B13R0.336 [13CH3]SCCOCCOCCOCCO 62a_100010166562_200025704644 [0,2,0,0,0,0|2,0,0]=4 21750 B13R0.336 [13CH3]SCCOCCOCCOCCO 62a_200025704644_100010166562 [0,2,0,0,0,0|2,0,0]=4 21751 B13R0.336 [N-]=[N+]=NCCCCCCNCCCO 2230a_200000049180_100000230001 [0,2,0,0,0,0|2,0,0]=4 21752 B13R0.336 [N-]=[N+]=NCCCCNCCCCCO 2230a_100000101370_100000746330 [0,2,0,0,0,0|2,0,0]=4 21753 B13R0.336 [N-]=[N+]=NCCCNCCCCCCO 2230a_100000744732_100000766143 [0,2,0,0,0,0|2,0,0]=4 21754 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000211969_100000731252 [0,2,0,0,0,0|1,0,1]=4 21755 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000690238_100000210614 [0,2,0,0,0,0|1,0,1]=4 21756 B13R0.338 C#CCCCC(=O)CCCCCCO 1458a_100000690238_100000766143 [0,2,0,0,0,0|0,0,2]=4 21757 B13R0.338 C#CCCCC(=O)CCCCCCO 1458a_100011996774_100000731252 [0,2,0,0,0,0|0,0,2]=4 21758 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000212188_100012094781 [0,2,0,0,0,0|1,0,1]=4 21759 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000694772_100000210326 [0,2,0,0,0,0|1,0,1]=4 21760 B13R0.338 C#CCCCCCC(=O)CCCCO 1458a_100000694772_100000210776 [0,2,0,0,0,0|0,0,2]=4 21761 B13R0.338 C#CCCCCCC(=O)CCCCO 1458a_100000695505_100012094781 [0,2,0,0,0,0|0,0,2]=4 21762 B13R0.338 C#CCCCCCN(C)CCCCC 2230a_100000223495_100012094781 [0,2,0,0,0,0|1,0,1]=4 21763 B13R0.338 C#CCCCCCN(C)CCCCC 269982a_100000223495_100012094781 [0,2,0,0,0,0|1,0,1]=4 21764 B13R0.338 C#CCCCCCN(C)CCCCO 2230a_100000717598_100012094781 [0,2,0,0,0,0|0,0,2]=4 21765 B13R0.338 C#CCCCCCN(C)CCCCO 269982a_100000717598_100012094781 [0,2,0,0,0,0|0,0,2]=4 21766 B13R0.338 C#CCCCCNC(C)CCCCC 2230a_100000211957_100010269958 [0,2,0,0,0,0|1,0,1]=4 21767 B13R0.338 C#CCCCCNC(C)CCCCC 2230a_100000706060_200011218191 [0,2,0,0,0,0|1,0,1]=4 21768 B13R0.338 C#CCCCCNC(C)CCCCC 34a_100000706060_200011218191 [0,2,0,0,0,0|1,0,1]=4 21769 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100000766709_200011218191 [0,2,0,0,0,0|1,0,1]=4 21770 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100011215632_100010269958 [0,2,0,0,0,0|1,0,1]=4 21771 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100000766709_200011218191 [0,2,0,0,0,0|1,0,1]=4 21772 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100011215632_100010269958 [0,2,0,0,0,0|1,0,1]=4 21773 B13R0.338 C#CCCCCSC(C)CCCCC 62a_100010269958_200011218191 [0,2,0,0,0,0|1,0,1]=4 21774 B13R0.338 C#CCCCCSC(C)CCCCC 62a_200011218191_100010269958 [0,2,0,0,0,0|1,0,1]=4 21775 B13R0.338 C#CCCCN(C)CCCCCCC 2230a_100000228206_100000731252 [0,2,0,0,0,0|1,0,1]=4 21776 B13R0.338 C#CCCCN(C)CCCCCCC 269982a_100000228206_100011215417 [0,2,0,0,0,0|1,0,1]=4 21777 B13R0.338 C#CCCNC(C)CCCCCCC 34a_100000755551_200011218727 [0,2,0,0,0,0|1,0,1]=4 21778 B13R0.338 C#CCCOC(C)CCCCCCC 34a_100011215631_200011218727 [0,2,0,0,0,0|1,0,1]=4 21779 B13R0.338 C#CCCOC(C)CCCCCCC 34a_200011215852_100000688953 [0,2,0,0,0,0|1,0,1]=4 21780 B13R0.338 C#CCCOC(C)CCCCCCC 7a_200011215852_100000688953 [0,2,0,0,0,0|1,0,1]=4 21781 B13R0.338 C#CCCSC(C)CCCCCCC 62a_100000688953_200011218727 [0,2,0,0,0,0|1,0,1]=4 21782 B13R0.338 C#CCCSC(C)CCCCCCC 62a_200011218727_100000688953 [0,2,0,0,0,0|1,0,1]=4 21783 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,2,0,0,0,0|1,0,1]=4 21784 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,2,0,0,0,0|1,0,1]=4 21785 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100000766728_100000766143 [0,2,0,0,0,0|0,0,2]=4 21786 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100011996774_100000757094 [0,2,0,0,0,0|0,0,2]=4 21787 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,2,0,0,0,0|1,0,1]=4 21788 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,2,0,0,0,0|1,0,1]=4 21789 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100000695505_100000700193 [0,2,0,0,0,0|0,0,2]=4 21790 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100011934241_100000210776 [0,2,0,0,0,0|0,0,2]=4 21791 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [0,2,0,0,0,0|1,0,1]=4 21792 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [0,2,0,0,0,0|1,0,1]=4 21793 B13R0.338 C=CCCCCCN(C)CCCCO 2230a_100000717598_100000700193 [0,2,0,0,0,0|0,0,2]=4 21794 B13R0.338 C=CCCCCCN(C)CCCCO 269982a_100000717598_100000700193 [0,2,0,0,0,0|0,0,2]=4 21795 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [0,2,0,0,0,0|1,0,1]=4 21796 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [0,2,0,0,0,0|1,0,1]=4 21797 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [0,2,0,0,0,0|1,0,1]=4 21798 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [0,2,0,0,0,0|1,0,1]=4 21799 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [0,2,0,0,0,0|1,0,1]=4 21800 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [0,2,0,0,0,0|1,0,1]=4 21801 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [0,2,0,0,0,0|1,0,1]=4 21802 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [0,2,0,0,0,0|1,0,1]=4 21803 B13R0.338 C=CCCCCSC(C)CCCCC 62a_100011215482_200011218191 [0,2,0,0,0,0|1,0,1]=4 21804 B13R0.338 C=CCCCCSC(C)CCCCC 62a_200011218191_100011215482 [0,2,0,0,0,0|1,0,1]=4 21805 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [0,2,0,0,0,0|1,0,1]=4 21806 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [0,2,0,0,0,0|1,0,1]=4 21807 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,2,0,0,0,0|1,0,1]=4 21808 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,2,0,0,0,0|1,0,1]=4 21809 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,2,0,0,0,0|1,0,1]=4 21810 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 21811 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 21812 B13R0.338 C=CCCSC(C)CCCCCCC 62a_100000754431_200011218727 [0,2,0,0,0,0|1,0,1]=4 21813 B13R0.338 C=CCCSC(C)CCCCCCC 62a_200011218727_100000754431 [0,2,0,0,0,0|1,0,1]=4 21814 B13R0.338 CC(CCCC#N)NCCCCCO 270004a_100000762737_200000032708 [0,2,0,0,0,0|1,0,1]=4 21815 B13R0.338 CC/C=C/CC(=O)CCCCCCO 1458a_100016274230_100000766143 [0,2,0,0,0,0|0,0,2]=4 21816 B13R0.338 CC/C=C\CC(=O)CCCCCCO 1458a_100011996774_100103147603 [0,2,0,0,0,0|0,0,2]=4 21817 B13R0.338 CCC#CCC(=O)CCCCCCO 1458a_100011996774_100009813939 [0,2,0,0,0,0|0,0,2]=4 21818 B13R0.338 CCC#CCC(C)OCCCCCO 34a_200000035118_100000746330 [0,2,0,0,0,0|0,0,2]=4 21819 B13R0.338 CCC#CCC(C)OCCCCCO 7a_200000035118_100000746330 [0,2,0,0,0,0|0,0,2]=4 21820 B13R0.338 CCCC#CC(=O)CCCCCCO 1458a_200011218047_100000766143 [0,2,0,0,0,0|0,0,2]=4 21821 B13R0.338 CCCC/C=C/CC(=O)CCCCO 1458a_200016282684_100000210776 [0,2,0,0,0,0|0,0,2]=4 21822 B13R0.338 CCCC=CC(=O)CCCCCCO 1458a_100000212230_100000766143 [0,2,0,0,0,0|0,0,2]=4 21823 B13R0.338 CCCCCC#CC(=O)CCCCO 1458a_100011215388_100000210776 [0,2,0,0,0,0|0,0,2]=4 21824 B13R0.338 CCCCCC(=O)CCCCCC#N 1458a_100000212188_100009813376 [0,2,0,0,0,0|1,0,1]=4 21825 B13R0.338 CCCCCC(=O)CCCCCCF 1458a_100000212188_100015922095 [0,2,0,0,0,0|1,0,0]=3 21826 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,2,0,0,0,0|0,0,0]=2 21827 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,2,0,0,0,0|0,0,0]=2 21828 B13R0.338 CCCCCC(=O)CCCCCOC 1458a_100011935119_100000210326 [0,2,0,0,0,0|0,0,1]=3 21829 B13R0.338 CCCCCC(=O)CCOCCCC 1458a_100000212188_100000743108 [0,2,0,0,0,0|1,0,1]=4 21830 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000212188_100000695917 [0,2,0,0,0,0|1,0,1]=4 21831 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000745395_100000210326 [0,2,0,0,0,0|1,0,1]=4 21832 B13R0.338 CCCCCC(=O)CNCCCCO 2230a_100000750430_200012276598 [0,2,0,0,0,0|0,0,1]=3 21833 B13R0.338 CCCCCC(=O)CNCCCCO 34a_100000750430_200012276598 [0,2,0,0,0,0|0,0,1]=3 21834 B13R0.338 CCCCCC(=O)CNCCCOC 34a_100150723488_200012276598 [0,2,0,0,0,0|1,0,1]=4 21835 B13R0.338 CCCCCC(=O)COCCCCBr 34a_100011216708_200012276598 [0,2,0,0,0,0|1,0,1]=4 21836 B13R0.338 CCCCCC(=O)COCCCCCl 34a_100000210776_200012276598 [0,2,0,0,0,0|1,0,1]=4 21837 B13R0.338 CCCCCC(=O)COCCCCCl 7a_100000210776_200012276598 [0,2,0,0,0,0|1,0,1]=4 21838 B13R0.338 CCCCCC(=O)COCCCCF 34a_100011995726_200012276598 [0,2,0,0,0,0|1,0,1]=4 21839 B13R0.338 CCCCCC(=O)COCCCCF 7a_100011995726_200012276598 [0,2,0,0,0,0|1,0,1]=4 21840 B13R0.338 CCCCCC(=O)COCCCCI 34a_200012148704_200012276598 [0,2,0,0,0,0|1,0,1]=4 21841 B13R0.338 CCCCCC(=O)COCCCCN 34a_100000750430_200012276598 [0,2,0,0,0,0|1,0,1]=4 21842 B13R0.338 CCCCCC(=O)COCCCOC 34a_100000740835_200012276598 [0,2,0,0,0,0|1,0,1]=4 21843 B13R0.338 CCCCCC(=O)CSCCCCF 62a_100000729493_200012276598 [0,2,0,0,0,0|1,0,1]=4 21844 B13R0.338 CCCCCC(=O)CSCCCCF 62a_200012276598_100000729493 [0,2,0,0,0,0|1,0,1]=4 21845 B13R0.338 CCCCCC(=O)CSCCCCO 62a_100000210776_200012276598 [0,2,0,0,0,0|0,0,1]=3 21846 B13R0.338 CCCCCC(=O)CSCCCCO 62a_200012276598_100000210776 [0,2,0,0,0,0|0,0,1]=3 21847 B13R0.338 CCCCCC(=O)CSCCCOC 62a_100000709357_200012276598 [0,2,0,0,0,0|1,0,1]=4 21848 B13R0.338 CCCCCC(=O)CSCCCOC 62a_200012276598_100000709357 [0,2,0,0,0,0|1,0,1]=4 21849 B13R0.338 CCCCCC(=O)NCCCCCO 240690a_100000762737_100000212188 [0,2,0,0,0,0|0,0,1]=3 21850 B13R0.338 CCCCCC(=O)NCCOCCO 240690a_100000211614_100000212188 [0,2,0,0,0,0|1,0,1]=4 21851 B13R0.338 CCCCCC(=O)NCCSCCO 240690a_100011219999_100000212188 [0,2,0,0,0,0|1,0,1]=4 21852 B13R0.338 CCCCCC(=O)NCCSCCO 527a_100011219999_100000212188 [0,2,0,0,0,0|1,0,1]=4 21853 B13R0.338 CCCCCC(C)NCCCCC#N 2230a_100000211957_100000211819 [0,2,0,0,0,0|1,0,1]=4 21854 B13R0.338 CCCCCC(C)NCCCCC#N 270004a_100000751965_100000211708 [0,2,0,0,0,0|1,0,1]=4 21855 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [0,2,0,0,0,0|0,0,2]=4 21856 B13R0.338 CCCCCC(C)NCCCCCF 2230a_100000211957_100000729378 [0,2,0,0,0,0|1,0,0]=3 21857 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000211957_100000746330 [0,2,0,0,0,0|0,0,0]=2 21858 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000762737_200011218191 [0,2,0,0,0,0|0,0,0]=2 21859 B13R0.338 CCCCCC(C)NCCCCCO 270004a_100000762737_100000211708 [0,2,0,0,0,0|0,0,0]=2 21860 B13R0.338 CCCCCC(C)NCCCCCO 34a_100000762737_200011218191 [0,2,0,0,0,0|0,0,0]=2 21861 B13R0.338 CCCCCC(C)NCCCCOC 2230a_100000211957_100000730899 [0,2,0,0,0,0|1,0,0]=3 21862 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000210961_200011218191 [0,2,0,0,0,0|2,0,0]=4 21863 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000211957_100012232248 [0,2,0,0,0,0|2,0,0]=4 21864 B13R0.338 CCCCCC(C)NCCCOCC 270004a_100000210961_100000211708 [0,2,0,0,0,0|2,0,0]=4 21865 B13R0.338 CCCCCC(C)NCCCOCC 34a_100000210961_200011218191 [0,2,0,0,0,0|2,0,0]=4 21866 B13R0.338 CCCCCC(C)NCCOCCC 2230a_100000211957_100011215938 [0,2,0,0,0,0|2,0,0]=4 21867 B13R0.338 CCCCCC(C)NCCOCCC 2230a_100161115042_200011218191 [0,2,0,0,0,0|2,0,0]=4 21868 B13R0.338 CCCCCC(C)NCCOCCC 270004a_100161115042_100000211708 [0,2,0,0,0,0|2,0,0]=4 21869 B13R0.338 CCCCCC(C)NCCOCCC 34a_100161115042_200011218191 [0,2,0,0,0,0|2,0,0]=4 21870 B13R0.338 CCCCCC(C)NCCOCCO 2230a_100000211614_200011218191 [0,2,0,0,0,0|1,0,0]=3 21871 B13R0.338 CCCCCC(C)NCCOCCO 2230a_100000211957_100011215305 [0,2,0,0,0,0|1,0,0]=3 21872 B13R0.338 CCCCCC(C)NCCOCCO 270004a_100000211614_100000211708 [0,2,0,0,0,0|1,0,0]=3 21873 B13R0.338 CCCCCC(C)NCCOCCO 34a_100000211614_200011218191 [0,2,0,0,0,0|1,0,0]=3 21874 B13R0.338 CCCCCC(C)NCCSCCC 2230a_100020603323_200011218191 [0,2,0,0,0,0|2,0,0]=4 21875 B13R0.338 CCCCCC(C)NCCSCCC 270004a_100020603323_100000211708 [0,2,0,0,0,0|2,0,0]=4 21876 B13R0.338 CCCCCC(C)NCCSCCO 2230a_100011219999_200011218191 [0,2,0,0,0,0|1,0,0]=3 21877 B13R0.338 CCCCCC(C)NCCSCCO 270004a_100011219999_100000211708 [0,2,0,0,0,0|1,0,0]=3 21878 B13R0.338 CCCCCC(C)NCOCCCC 2230a_100000211957_100011995733 [0,2,0,0,0,0|2,0,0]=4 21879 B13R0.338 CCCCCC(C)NCOCCOC 2230a_100000211957_100000231047 [0,2,0,0,0,0|2,0,0]=4 21880 B13R0.338 CCCCCC(C)OCCCCC#N 7a_100011215632_100000211819 [0,2,0,0,0,0|1,0,1]=4 21881 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [0,2,0,0,0,0|0,0,2]=4 21882 B13R0.338 CCCCCC(C)OCCCCCBr 34a_100000746331_200011218191 [0,2,0,0,0,0|1,0,0]=3 21883 B13R0.338 CCCCCC(C)OCCCCCBr 7a_100000746331_200011218191 [0,2,0,0,0,0|1,0,0]=3 21884 B13R0.338 CCCCCC(C)OCCCCCCl 34a_100000746330_200011218191 [0,2,0,0,0,0|1,0,0]=3 21885 B13R0.338 CCCCCC(C)OCCCCCCl 7a_100000746330_200011218191 [0,2,0,0,0,0|1,0,0]=3 21886 B13R0.338 CCCCCC(C)OCCCCCF 34a_100011215632_100000729378 [0,2,0,0,0,0|1,0,0]=3 21887 B13R0.338 CCCCCC(C)OCCCCCF 7a_100011215632_100000729378 [0,2,0,0,0,0|1,0,0]=3 21888 B13R0.338 CCCCCC(C)OCCCCCI 34a_200012148887_200011218191 [0,2,0,0,0,0|1,0,0]=3 21889 B13R0.338 CCCCCC(C)OCCCCCI 7a_200012148887_200011218191 [0,2,0,0,0,0|1,0,0]=3 21890 B13R0.338 CCCCCC(C)OCCCCCN 34a_100000762737_200011218191 [0,2,0,0,0,0|1,0,0]=3 21891 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [0,2,0,0,0,0|0,0,0]=2 21892 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [0,2,0,0,0,0|0,0,0]=2 21893 B13R0.338 CCCCCC(C)OCCCCOC 34a_100000740925_200011218191 [0,2,0,0,0,0|1,0,0]=3 21894 B13R0.338 CCCCCC(C)OCCCCOC 34a_100011215632_100000755781 [0,2,0,0,0,0|1,0,0]=3 21895 B13R0.338 CCCCCC(C)OCCCCOC 7a_100011215632_100000730899 [0,2,0,0,0,0|1,0,0]=3 21896 B13R0.338 CCCCCC(C)OCCCCSC 34a_100011217163_200011218191 [0,2,0,0,0,0|1,1,0]=4 21897 B13R0.338 CCCCCC(C)OCCCCSC 7a_100011217163_200011218191 [0,2,0,0,0,0|1,1,0]=4 21898 B13R0.338 CCCCCC(C)OCCCOCC 34a_100000757476_200011218191 [0,2,0,0,0,0|2,0,0]=4 21899 B13R0.338 CCCCCC(C)OCCCOCC 34a_100011215632_100012232248 [0,2,0,0,0,0|2,0,0]=4 21900 B13R0.338 CCCCCC(C)OCCCOCC 7a_100000757476_200011218191 [0,2,0,0,0,0|2,0,0]=4 21901 B13R0.338 CCCCCC(C)OCCCOCC 7a_100011215632_100012232248 [0,2,0,0,0,0|2,0,0]=4 21902 B13R0.338 CCCCCC(C)OCCCSCC 34a_100011216438_200011218191 [0,2,0,0,0,0|2,0,0]=4 21903 B13R0.338 CCCCCC(C)OCCCSCC 7a_100011216438_200011218191 [0,2,0,0,0,0|2,0,0]=4 21904 B13R0.338 CCCCCC(C)OCCOCCBr 34a_100000692535_200011218191 [0,2,0,0,0,0|2,0,0]=4 21905 B13R0.338 CCCCCC(C)OCCOCCBr 7a_100000692535_200011218191 [0,2,0,0,0,0|2,0,0]=4 21906 B13R0.338 CCCCCC(C)OCCOCCC 34a_100000752267_200011218191 [0,2,0,0,0,0|2,0,0]=4 21907 B13R0.338 CCCCCC(C)OCCOCCC 34a_100011215632_100011215938 [0,2,0,0,0,0|2,0,0]=4 21908 B13R0.338 CCCCCC(C)OCCOCCC 7a_100000752267_200011218191 [0,2,0,0,0,0|2,0,0]=4 21909 B13R0.338 CCCCCC(C)OCCOCCC 7a_100011215632_100011215938 [0,2,0,0,0,0|2,0,0]=4 21910 B13R0.338 CCCCCC(C)OCCOCCCl 34a_100011215305_200011218191 [0,2,0,0,0,0|2,0,0]=4 21911 B13R0.338 CCCCCC(C)OCCOCCCl 7a_100011215305_200011218191 [0,2,0,0,0,0|2,0,0]=4 21912 B13R0.338 CCCCCC(C)OCCOCCF 34a_200015357709_200011218191 [0,2,0,0,0,0|2,0,0]=4 21913 B13R0.338 CCCCCC(C)OCCOCCF 7a_200015357709_200011218191 [0,2,0,0,0,0|2,0,0]=4 21914 B13R0.338 CCCCCC(C)OCCOCCI 34a_100012149058_200011218191 [0,2,0,0,0,0|2,0,0]=4 21915 B13R0.338 CCCCCC(C)OCCOCCI 7a_100012149058_200011218191 [0,2,0,0,0,0|2,0,0]=4 21916 B13R0.338 CCCCCC(C)OCCOCCN 34a_100000211614_200011218191 [0,2,0,0,0,0|2,0,0]=4 21917 B13R0.338 CCCCCC(C)OCCOCCO 34a_100011215632_100000692535 [0,2,0,0,0,0|1,0,0]=3 21918 B13R0.338 CCCCCC(C)OCCOCCO 7a_100011215632_100011215305 [0,2,0,0,0,0|1,0,0]=3 21919 B13R0.338 CCCCCC(C)OCCSCCC 34a_200000230433_200011218191 [0,2,0,0,0,0|2,0,0]=4 21920 B13R0.338 CCCCCC(C)OCCSCCC 7a_200000230433_200011218191 [0,2,0,0,0,0|2,0,0]=4 21921 B13R0.338 CCCCCC(C)OCOCCCC 34a_100011215632_100011995733 [0,2,0,0,0,0|2,0,0]=4 21922 B13R0.338 CCCCCC(C)SCCCCC#N 62a_100011219923_200011218191 [0,2,0,0,0,0|1,0,1]=4 21923 B13R0.338 CCCCCC(C)SCCCCC#N 62a_200011218191_100000211819 [0,2,0,0,0,0|1,0,1]=4 21924 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [0,2,0,0,0,0|0,0,2]=4 21925 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [0,2,0,0,0,0|0,0,2]=4 21926 B13R0.338 CCCCCC(C)SCCCCCF 62a_100000729378_200011218191 [0,2,0,0,0,0|1,0,0]=3 21927 B13R0.338 CCCCCC(C)SCCCCCF 62a_200011218191_100000729378 [0,2,0,0,0,0|1,0,0]=3 21928 B13R0.338 CCCCCC(C)SCCCCCO 62a_100000746330_200011218191 [0,2,0,0,0,0|0,0,0]=2 21929 B13R0.338 CCCCCC(C)SCCCCCO 62a_200011218191_100000746330 [0,2,0,0,0,0|0,0,0]=2 21930 B13R0.338 CCCCCC(C)SCCCCOC 62a_100000730899_200011218191 [0,2,0,0,0,0|1,0,0]=3 21931 B13R0.338 CCCCCC(C)SCCCCOC 62a_200011218191_100000730899 [0,2,0,0,0,0|1,0,0]=3 21932 B13R0.338 CCCCCC(C)SCCCOCC 62a_100012232248_200011218191 [0,2,0,0,0,0|2,0,0]=4 21933 B13R0.338 CCCCCC(C)SCCCOCC 62a_200011218191_100012232248 [0,2,0,0,0,0|2,0,0]=4 21934 B13R0.338 CCCCCC(C)SCCOCCC 62a_100011215938_200011218191 [0,2,0,0,0,0|2,0,0]=4 21935 B13R0.338 CCCCCC(C)SCCOCCC 62a_200011218191_100011215938 [0,2,0,0,0,0|2,0,0]=4 21936 B13R0.338 CCCCCC(C)SCCOCCO 62a_100011215305_200011218191 [0,2,0,0,0,0|1,0,0]=3 21937 B13R0.338 CCCCCC(C)SCCOCCO 62a_200011218191_100011215305 [0,2,0,0,0,0|1,0,0]=3 21938 B13R0.338 CCCCCC(C)SCOCCCC 62a_100011995733_200011218191 [0,2,0,0,0,0|2,0,0]=4 21939 B13R0.338 CCCCCC(C)SCOCCCC 62a_200011218191_100011995733 [0,2,0,0,0,0|2,0,0]=4 21940 B13R0.338 CCCCCC(C)SCOCCOC 62a_100000231047_200011218191 [0,2,0,0,0,0|2,0,0]=4 21941 B13R0.338 CCCCCC(C)SCOCCOC 62a_200011218191_100000231047 [0,2,0,0,0,0|2,0,0]=4 21942 B13R0.338 CCCCCC=CC(=O)CCCCO 1458a_100016263427_100000210776 [0,2,0,0,0,0|0,0,2]=4 21943 B13R0.338 CCCCCCCC(=NNCCO)C 4a_100000210001_100000210596 [0,2,0,0,0,0|1,0,1]=4 21944 B13R0.338 CCCCCCCC(=O)CC#CCO 1458a_100000211969_200000047223 [0,2,0,0,0,0|0,0,2]=4 21945 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210614 [0,2,0,0,0,0|1,0,1]=4 21946 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000211969_100000211468 [0,2,0,0,0,0|1,0,1]=4 21947 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [0,2,0,0,0,0|1,0,0]=3 21948 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [0,2,0,0,0,0|1,0,0]=3 21949 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [0,2,0,0,0,0|1,0,0]=3 21950 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,2,0,0,0,0|0,0,0]=2 21951 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,2,0,0,0,0|0,0,0]=2 21952 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000211969_100000740836 [0,2,0,0,0,0|0,0,1]=3 21953 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000741012_100000210614 [0,2,0,0,0,0|0,0,1]=3 21954 B13R0.338 CCCCCCCC(=O)CCCSC 1458a_100000173376_100000210614 [0,2,0,0,0,0|0,1,1]=4 21955 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [0,2,0,0,0,0|1,0,1]=4 21956 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [0,2,0,0,0,0|1,0,1]=4 21957 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000211969_100000757381 [0,2,0,0,0,0|1,0,1]=4 21958 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000230768_100000210614 [0,2,0,0,0,0|1,0,1]=4 21959 B13R0.338 CCCCCCCC(=O)COCCC 1458a_100000745993_100000210614 [0,2,0,0,0,0|1,0,1]=4 21960 B13R0.338 CCCCCCCC(=O)COCCO 1458a_100000708028_100000210614 [0,2,0,0,0,0|0,0,1]=3 21961 B13R0.338 CCCCCCCC(=O)CSCCC 1458a_100000217233_100000210614 [0,2,0,0,0,0|1,0,1]=4 21962 B13R0.338 CCCCCCCC(=O)NCCCC 11a_100000102301_100000211969 [0,2,0,0,0,0|1,0,1]=4 21963 B13R0.338 CCCCCCCC(=O)NCCCC 1626a_100000102301_100000211969 [0,2,0,0,0,0|1,0,1]=4 21964 B13R0.338 CCCCCCCC(=O)NCCCC 240690a_100000102301_100000211969 [0,2,0,0,0,0|1,0,1]=4 21965 B13R0.338 CCCCCCCC(=O)NCCCC 527a_100000102301_100000211969 [0,2,0,0,0,0|1,0,1]=4 21966 B13R0.338 CCCCCCCC(=O)NCCCF 11a_100015189416_100000211969 [0,2,0,0,0,0|1,0,1]=4 21967 B13R0.338 CCCCCCCC(=O)NCCCF 1626a_100015189416_100000211969 [0,2,0,0,0,0|1,0,1]=4 21968 B13R0.338 CCCCCCCC(=O)NCCCF 240690a_100015189416_100000211969 [0,2,0,0,0,0|1,0,1]=4 21969 B13R0.338 CCCCCCCC(=O)NCCCF 527a_100015189416_100000211969 [0,2,0,0,0,0|1,0,1]=4 21970 B13R0.338 CCCCCCCC(=O)NCCCO 240690a_100000182051_100000211969 [0,2,0,0,0,0|0,0,1]=3 21971 B13R0.338 CCCCCCCC(=O)NCCCO 527a_100000182051_100000211969 [0,2,0,0,0,0|0,0,1]=3 21972 B13R0.338 CCCCCCCC(=O)NCCOC 1626a_100000209980_100000211969 [0,2,0,0,0,0|1,0,1]=4 21973 B13R0.338 CCCCCCCC(=O)NCCOC 240690a_100000209980_100000211969 [0,2,0,0,0,0|1,0,1]=4 21974 B13R0.338 CCCCCCCC(=O)NCCOC 527a_100000209980_100000211969 [0,2,0,0,0,0|1,0,1]=4 21975 B13R0.338 CCCCCCCC(=O)NNCCO 22a_100000210001_100000211969 [0,2,0,0,0,0|1,0,1]=4 21976 B13R0.338 CCCCCCCC(C)NCCC#N 270004a_100000720768_100000210596 [0,2,0,0,0,0|1,0,1]=4 21977 B13R0.338 CCCCCCCC(C)NCCCC 2230a_100000102301_200011218727 [0,2,0,0,0,0|1,0,0]=3 21978 B13R0.338 CCCCCCCC(C)NCCCC 270004a_100000102301_100000210596 [0,2,0,0,0,0|1,0,0]=3 21979 B13R0.338 CCCCCCCC(C)NCCCC 7a_106832991798_200011218727 [0,2,0,0,0,0|1,0,0]=3 21980 B13R0.338 CCCCCCCC(C)NCCCF 2230a_100015189416_200011218727 [0,2,0,0,0,0|1,0,0]=3 21981 B13R0.338 CCCCCCCC(C)NCCCF 270004a_100015189416_100000210596 [0,2,0,0,0,0|1,0,0]=3 21982 B13R0.338 CCCCCCCC(C)NCCCF 34a_100015189416_200011218727 [0,2,0,0,0,0|1,0,0]=3 21983 B13R0.338 CCCCCCCC(C)NCCCO 270004a_100000182051_100000210596 [0,2,0,0,0,0|0,0,0]=2 21984 B13R0.338 CCCCCCCC(C)NCCOC 2230a_100000209980_200011218727 [0,2,0,0,0,0|1,0,0]=3 21985 B13R0.338 CCCCCCCC(C)NCCOC 270004a_100000209980_100000210596 [0,2,0,0,0,0|1,0,0]=3 21986 B13R0.338 CCCCCCCC(C)NCCSC 2230a_100020590264_200011218727 [0,2,0,0,0,0|1,1,0]=4 21987 B13R0.338 CCCCCCCC(C)NCCSC 270004a_100020590264_100000210596 [0,2,0,0,0,0|1,1,0]=4 21988 B13R0.338 CCCCCCCC(C)OCCC#N 7a_200011215852_100000184422 [0,2,0,0,0,0|1,0,1]=4 21989 B13R0.338 CCCCCCCC(C)OCCCBr 34a_100011217188_200011218727 [0,2,0,0,0,0|1,0,0]=3 21990 B13R0.338 CCCCCCCC(C)OCCCC 34a_100000210227_200011218727 [0,2,0,0,0,0|1,0,0]=3 21991 B13R0.338 CCCCCCCC(C)OCCCC 34a_200011215852_100000210210 [0,2,0,0,0,0|1,0,0]=3 21992 B13R0.338 CCCCCCCC(C)OCCCC 7a_100000210227_200011218727 [0,2,0,0,0,0|1,0,0]=3 21993 B13R0.338 CCCCCCCC(C)OCCCC 7a_200011215852_100000210211 [0,2,0,0,0,0|1,0,0]=3 21994 B13R0.338 CCCCCCCC(C)OCCCCl 34a_100000230001_200011218727 [0,2,0,0,0,0|1,0,0]=3 21995 B13R0.338 CCCCCCCC(C)OCCCF 34a_100000759539_200011218727 [0,2,0,0,0,0|1,0,0]=3 21996 B13R0.338 CCCCCCCC(C)OCCCF 34a_200011215852_100011934791 [0,2,0,0,0,0|1,0,0]=3 21997 B13R0.338 CCCCCCCC(C)OCCCF 7a_200011215852_100011934791 [0,2,0,0,0,0|1,0,0]=3 21998 B13R0.338 CCCCCCCC(C)OCCCN 34a_100000182051_200011218727 [0,2,0,0,0,0|1,0,0]=3 21999 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [0,2,0,0,0,0|0,0,0]=2 22000 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [0,2,0,0,0,0|0,0,0]=2 22001 B13R0.338 CCCCCCCC(C)OCCOC 34a_100000210237_200011218727 [0,2,0,0,0,0|1,0,0]=3 22002 B13R0.338 CCCCCCCC(C)OCCOC 34a_200011215852_100011201679 [0,2,0,0,0,0|1,0,0]=3 22003 B13R0.338 CCCCCCCC(C)OCCOC 7a_200011215852_100000233755 [0,2,0,0,0,0|1,0,0]=3 22004 B13R0.338 CCCCCCCC(C)OCCON 34a_100000700252_200011218727 [0,2,0,0,0,0|1,0,0]=3 22005 B13R0.338 CCCCCCCC(C)OCCSC 34a_100000230434_200011218727 [0,2,0,0,0,0|1,1,0]=4 22006 B13R0.338 CCCCCCCC(C)OCCSC 34a_200011215852_100000212216 [0,2,0,0,0,0|1,1,0]=4 22007 B13R0.338 CCCCCCCC(C)OCCSC 7a_100000230434_200011218727 [0,2,0,0,0,0|1,1,0]=4 22008 B13R0.338 CCCCCCCC(C)OCCSC 7a_200011215852_100000212216 [0,2,0,0,0,0|1,1,0]=4 22009 B13R0.338 CCCCCCCC(C)SCCC#N 62a_100011215226_200011218727 [0,2,0,0,0,0|1,0,1]=4 22010 B13R0.338 CCCCCCCC(C)SCCC#N 62a_200011218727_100011215226 [0,2,0,0,0,0|1,0,1]=4 22011 B13R0.338 CCCCCCCC(C)SCCCC 62a_100000210211_200011218727 [0,2,0,0,0,0|1,0,0]=3 22012 B13R0.338 CCCCCCCC(C)SCCCC 62a_200011218727_100000210210 [0,2,0,0,0,0|1,0,0]=3 22013 B13R0.338 CCCCCCCC(C)SCCCF 62a_100011934791_200011218727 [0,2,0,0,0,0|1,0,0]=3 22014 B13R0.338 CCCCCCCC(C)SCCCF 62a_200011218727_100011934791 [0,2,0,0,0,0|1,0,0]=3 22015 B13R0.338 CCCCCCCC(C)SCCCO 62a_100011215043_200011218727 [0,2,0,0,0,0|0,0,0]=2 22016 B13R0.338 CCCCCCCC(C)SCCCO 62a_200011218727_100011215043 [0,2,0,0,0,0|0,0,0]=2 22017 B13R0.338 CCCCCCCC(C)SCCOC 62a_100000233755_200011218727 [0,2,0,0,0,0|1,0,0]=3 22018 B13R0.338 CCCCCCCC(C)SCCOC 62a_200011218727_100000233755 [0,2,0,0,0,0|1,0,0]=3 22019 B13R0.338 CCCCCCCC(C)SCCSC 62a_100000212216_200011218727 [0,2,0,0,0,0|1,1,0]=4 22020 B13R0.338 CCCCCCCC(C)SCCSC 62a_200011218727_100000751147 [0,2,0,0,0,0|1,1,0]=4 22021 B13R0.338 CCCCCCCC(C)SCOCC 62a_100000739092_200011218727 [0,2,0,0,0,0|2,0,0]=4 22022 B13R0.338 CCCCCCCC(C)SCOCC 62a_200011218727_100000739092 [0,2,0,0,0,0|2,0,0]=4 22023 B13R0.338 CCCCCCCN(C)CC#CCO 2230a_100000228206_200000047223 [0,2,0,0,0,0|0,0,2]=4 22024 B13R0.338 CCCCCCCN(C)CCCC#N 2230a_100000228206_100000687738 [0,2,0,0,0,0|1,0,1]=4 22025 B13R0.338 CCCCCCCN(C)CCCC#N 269982a_100000228206_100000687738 [0,2,0,0,0,0|1,0,1]=4 22026 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,2,0,0,0,0|0,0,2]=4 22027 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,2,0,0,0,0|0,0,2]=4 22028 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000223495_100000210681 [0,2,0,0,0,0|1,0,0]=3 22029 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000228206_100000210326 [0,2,0,0,0,0|1,0,0]=3 22030 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000223495_100000210681 [0,2,0,0,0,0|1,0,0]=3 22031 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000228206_100000210215 [0,2,0,0,0,0|1,0,0]=3 22032 B13R0.338 CCCCCCCN(C)CCCCF 2230a_100000228206_100000729493 [0,2,0,0,0,0|1,0,0]=3 22033 B13R0.338 CCCCCCCN(C)CCCCF 269982a_100000228206_100000729493 [0,2,0,0,0,0|1,0,0]=3 22034 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000228206_100000210776 [0,2,0,0,0,0|0,0,0]=2 22035 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000717598_100000210681 [0,2,0,0,0,0|0,0,0]=2 22036 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000228206_100000210776 [0,2,0,0,0,0|0,0,0]=2 22037 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000717598_100000210681 [0,2,0,0,0,0|0,0,0]=2 22038 B13R0.338 CCCCCCCN(C)CCCOC 2230a_100000224831_100000210681 [0,2,0,0,0,0|1,0,0]=3 22039 B13R0.338 CCCCCCCN(C)CCCOC 2230a_100000228206_100000740836 [0,2,0,0,0,0|1,0,0]=3 22040 B13R0.338 CCCCCCCN(C)CCCOC 269982a_100000224831_100000210681 [0,2,0,0,0,0|1,0,0]=3 22041 B13R0.338 CCCCCCCN(C)CCCOC 269982a_100000228206_100000740836 [0,2,0,0,0,0|1,0,0]=3 22042 B13R0.338 CCCCCCCN(C)CCOCC 2230a_100000228206_100011215890 [0,2,0,0,0,0|2,0,0]=4 22043 B13R0.338 CCCCCCCN(C)CCOCC 269982a_100000228206_100011215890 [0,2,0,0,0,0|2,0,0]=4 22044 B13R0.338 CCCCCCCN(C)CCSCC 2230a_100000228206_100000757381 [0,2,0,0,0,0|2,0,0]=4 22045 B13R0.338 CCCCCCCN(C)CCSCC 269982a_100000228206_100000757381 [0,2,0,0,0,0|2,0,0]=4 22046 B13R0.338 CCCCCCNC(=O)CCCCC 11a_100000210581_100000212188 [0,2,0,0,0,0|1,0,1]=4 22047 B13R0.338 CCCCCCNC(=O)CCCCC 1626a_100000210581_100000212188 [0,2,0,0,0,0|1,0,1]=4 22048 B13R0.338 CCCCCCNC(=O)CCCCC 240690a_100000210581_100000212188 [0,2,0,0,0,0|1,0,1]=4 22049 B13R0.338 CCCCCCNC(=O)CCCCC 527a_100000210581_100000212188 [0,2,0,0,0,0|1,0,1]=4 22050 B13R0.338 CCCCCCNC(=O)CCCCO 1626a_100000210581_100000695505 [0,2,0,0,0,0|0,0,1]=3 22051 B13R0.338 CCCCCCNC(=O)CCCOC 11a_100000210581_100000741012 [0,2,0,0,0,0|1,0,1]=4 22052 B13R0.338 CCCCCCNC(=O)CCCOC 1626a_100000210581_100000741012 [0,2,0,0,0,0|1,0,1]=4 22053 B13R0.338 CCCCCCNC(=O)CCCOC 240690a_100000210581_100000741012 [0,2,0,0,0,0|1,0,1]=4 22054 B13R0.338 CCCCCCNC(=O)CCCOC 527a_100000210581_100000741012 [0,2,0,0,0,0|1,0,1]=4 22055 B13R0.338 CCCCCCNC(=O)CNCCO 2230a_100016997473_100000230325 [0,2,0,0,0,0|1,0,1]=4 22056 B13R0.338 CCCCCCNC(=O)CNCCO 34a_100016990907_100000230325 [0,2,0,0,0,0|1,0,1]=4 22057 B13R0.338 CCCCCCNC(=O)COCCO 1626a_100000210581_100000708028 [0,2,0,0,0,0|1,0,1]=4 22058 B13R0.338 CCCCCCNC(=O)COCCO 240690a_100000210581_100000708028 [0,2,0,0,0,0|1,0,1]=4 22059 B13R0.338 CCCCCCNC(=O)CSCCO 62a_100000230325_100000211926 [0,2,0,0,0,0|1,0,1]=4 22060 B13R0.338 CCCCCCNC(=O)NCCCO 2708a_100000210581_100000182051 [0,2,0,0,0,0|1,0,1]=4 22061 B13R0.338 CCCCCCNC(=O)NCCCO 273464a_100000182051_100000210581 [0,2,0,0,0,0|1,0,1]=4 22062 B13R0.338 CCCCCCNC(=O)NCCCO 273464a_100000210581_100000182051 [0,2,0,0,0,0|1,0,1]=4 22063 B13R0.338 CCCCCCNC(=O)NCCCO 512a_100000210581_100000182051 [0,2,0,0,0,0|1,0,1]=4 22064 B13R0.338 CCCCCCNC(C)CCCC#N 270004a_100000210581_200000032708 [0,2,0,0,0,0|1,0,1]=4 22065 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000210581_200011218191 [0,2,0,0,0,0|1,0,0]=3 22066 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000211957_100000210314 [0,2,0,0,0,0|1,0,0]=3 22067 B13R0.338 CCCCCCNC(C)CCCCC 270004a_100000210581_100000211708 [0,2,0,0,0,0|1,0,0]=3 22068 B13R0.338 CCCCCCNC(C)CCCSC 270004a_100000210581_100011399439 [0,2,0,0,0,0|1,1,0]=4 22069 B13R0.338 CCCCCCNC(C)CCOCC 270004a_100000210581_200011216536 [0,2,0,0,0,0|2,0,0]=4 22070 B13R0.338 CCCCCCNC(C)CSCCC 270004a_100000210581_100011343953 [0,2,0,0,0,0|2,0,0]=4 22071 B13R0.338 CCCCCCOC(C)CCCCC 34a_100000210259_200011218191 [0,2,0,0,0,0|1,0,0]=3 22072 B13R0.338 CCCCCCOC(C)CCCCC 34a_100011215632_100000210314 [0,2,0,0,0,0|1,0,0]=3 22073 B13R0.338 CCCCCCOC(C)CCCCC 7a_100000210259_200011218191 [0,2,0,0,0,0|1,0,0]=3 22074 B13R0.338 CCCCCCOC(C)CCCCC 7a_100011215632_100000210314 [0,2,0,0,0,0|1,0,0]=3 22075 B13R0.338 CCCCCCOC(C)CCCOC 34a_200011539412_100000210314 [0,2,0,0,0,0|1,0,0]=3 22076 B13R0.338 CCCCCCOC(C)CCCOC 7a_200011539412_100000210314 [0,2,0,0,0,0|1,0,0]=3 22077 B13R0.338 CCCCCCSC(C)CCCCC 62a_100000210314_200011218191 [0,2,0,0,0,0|1,0,0]=3 22078 B13R0.338 CCCCCCSC(C)CCCCC 62a_200011218191_100000210757 [0,2,0,0,0,0|1,0,0]=3 22079 B13R0.338 CCCCCN(C)CCCCCC#N 2230a_100000223495_100009813376 [0,2,0,0,0,0|1,0,1]=4 22080 B13R0.338 CCCCCN(C)CCCCCC#N 269982a_100000223495_100009813376 [0,2,0,0,0,0|1,0,1]=4 22081 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [0,2,0,0,0,0|0,0,2]=4 22082 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [0,2,0,0,0,0|0,0,2]=4 22083 B13R0.338 CCCCCN(C)CCCCCCF 2230a_100000223495_100015922095 [0,2,0,0,0,0|1,0,0]=3 22084 B13R0.338 CCCCCN(C)CCCCCCF 269982a_100000223495_100015922095 [0,2,0,0,0,0|1,0,0]=3 22085 B13R0.338 CCCCCN(C)CCCCCCO 2230a_100000223495_100000766143 [0,2,0,0,0,0|0,0,0]=2 22086 B13R0.338 CCCCCN(C)CCCCCCO 269982a_100000223495_100000766143 [0,2,0,0,0,0|0,0,0]=2 22087 B13R0.338 CCCCCN(C)CCOCCCC 2230a_100000223495_100000743108 [0,2,0,0,0,0|2,0,0]=4 22088 B13R0.338 CCCCCN(C)CCOCCCC 269982a_100000223495_100000743108 [0,2,0,0,0,0|2,0,0]=4 22089 B13R0.338 CCCCCN(C)CCOCCOC 2230a_100000223495_100000695917 [0,2,0,0,0,0|2,0,0]=4 22090 B13R0.338 CCCCCN(C)CCOCCOC 269982a_100000223495_100000695917 [0,2,0,0,0,0|2,0,0]=4 22091 B13R0.338 CCCCCNCC(=O)CCCCC 2230a_100000209983_200012276598 [0,2,0,0,0,0|1,0,1]=4 22092 B13R0.338 CCCCCOCC(=O)CCCCC 34a_100000210253_200012276598 [0,2,0,0,0,0|1,0,1]=4 22093 B13R0.338 CCCCCOCC(=O)CCCCC 7a_100000210253_200012276598 [0,2,0,0,0,0|1,0,1]=4 22094 B13R0.338 CCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000718602 [0,2,0,0,0,0|1,0,0]=3 22095 B13R0.338 CCCCCSCC(=O)CCCCC 62a_100000210326_200012276598 [0,2,0,0,0,0|1,0,1]=4 22096 B13R0.338 CCCCCSCC(=O)CCCCC 62a_200012276598_100000210326 [0,2,0,0,0,0|1,0,1]=4 22097 B13R0.338 CCCCNC(=O)CCCCCCO 240690a_100000102301_100011996774 [0,2,0,0,0,0|0,0,1]=3 22098 B13R0.338 CCCCNC(=O)CCCCCOC 11a_100000102301_100011935119 [0,2,0,0,0,0|1,0,1]=4 22099 B13R0.338 CCCCNC(=O)CCCCCOC 1626a_100000102301_100011935119 [0,2,0,0,0,0|1,0,1]=4 22100 B13R0.338 CCCCNC(=O)CCCCCOC 240690a_100000102301_100011935119 [0,2,0,0,0,0|1,0,1]=4 22101 B13R0.338 CCCCNC(=O)CCCCCOC 527a_100000102301_100011935119 [0,2,0,0,0,0|1,0,1]=4 22102 B13R0.338 CCCCNC(=O)CNCCCCO 2230a_100000750430_100000182744 [0,2,0,0,0,0|1,0,1]=4 22103 B13R0.338 CCCCNC(=O)CNCCCCO 34a_100000750430_100000182744 [0,2,0,0,0,0|1,0,1]=4 22104 B13R0.338 CCCCNC(=O)CSCCCCO 62a_100000182744_100000210776 [0,2,0,0,0,0|1,0,1]=4 22105 B13R0.338 CCCCNC(=O)CSCCCCO 62a_100000210776_100000182744 [0,2,0,0,0,0|1,0,1]=4 22106 B13R0.338 CCCCNC(=O)NCCCCCO 2708a_100000102301_100000762737 [0,2,0,0,0,0|1,0,1]=4 22107 B13R0.338 CCCCNC(=O)NCCCCCO 273464a_100000102301_100000762737 [0,2,0,0,0,0|1,0,1]=4 22108 B13R0.338 CCCCNC(=O)NCCCCCO 273464a_100000762737_100000102301 [0,2,0,0,0,0|1,0,1]=4 22109 B13R0.338 CCCCNC(=O)NCCCCCO 512a_100000102301_100000762737 [0,2,0,0,0,0|1,0,1]=4 22110 B13R0.338 CCCCNC(=O)NCCCCCO 512a_100000762737_100000102301 [0,2,0,0,0,0|1,0,1]=4 22111 B13R0.338 CCCCOC(=O)CNCCCCO 2230a_100000750430_100000211628 [0,2,0,0,0,0|1,0,1]=4 22112 B13R0.338 CCCCOC(=O)CNCCCCO 34a_100000750430_100000211628 [0,2,0,0,0,0|1,0,1]=4 22113 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000210776_100000211628 [0,2,0,0,0,0|1,0,1]=4 22114 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000211628_100000210776 [0,2,0,0,0,0|1,0,1]=4 22115 B13R0.338 CCCCOCCC(=O)CCCCO 1458a_100000695505_100000743108 [0,2,0,0,0,0|0,0,1]=3 22116 B13R0.338 CCCCOCCC(=O)CCCOC 1458a_100000741012_100000743108 [0,2,0,0,0,0|1,0,1]=4 22117 B13R0.338 CCCCOCCC(=O)COCCO 1458a_100000708028_100000743108 [0,2,0,0,0,0|1,0,1]=4 22118 B13R0.338 CCCCOCCN(C)CCCCO 2230a_100000717598_100000743108 [0,2,0,0,0,0|1,0,0]=3 22119 B13R0.338 CCCCOCCN(C)CCCCO 269982a_100000717598_100000743108 [0,2,0,0,0,0|1,0,0]=3 22120 B13R0.338 CCCCOCCN(C)CCCOC 2230a_100000224831_100000743108 [0,2,0,0,0,0|2,0,0]=4 22121 B13R0.338 CCCCOCCN(C)CCCOC 269982a_100000224831_100000743108 [0,2,0,0,0,0|2,0,0]=4 22122 B13R0.338 CCCCOCOC(C)CCCOC 34a_200011539412_100011995733 [0,2,0,0,0,0|2,0,0]=4 22123 B13R0.338 CCCOCC(=O)CCCCCCF 1458a_100000745993_100015922095 [0,2,0,0,0,0|1,0,1]=4 22124 B13R0.338 CCCOCC(=O)CCCCCCO 1458a_100000745993_100000766143 [0,2,0,0,0,0|0,0,1]=3 22125 B13R0.338 CCCOCC(=O)NCCCCCO 240690a_100000762737_100000745993 [0,2,0,0,0,0|1,0,1]=4 22126 B13R0.338 CCCOCCNC(=O)CCCCO 1626a_100161115042_100000695505 [0,2,0,0,0,0|1,0,1]=4 22127 B13R0.338 CCCOCCOC(C)CCCOC 34a_200011539412_100011215938 [0,2,0,0,0,0|2,0,0]=4 22128 B13R0.338 CCCOCCOC(C)CCCOC 7a_200011539412_100011215938 [0,2,0,0,0,0|2,0,0]=4 22129 B13R0.338 CCCSCC(=O)CCCCCCF 1458a_100000217233_100015922095 [0,2,0,0,0,0|1,0,1]=4 22130 B13R0.338 CCCSCC(=O)CCCCCCO 1458a_100000217233_100000766143 [0,2,0,0,0,0|0,0,1]=3 22131 B13R0.338 CCCSCC(=O)NCCCCCO 240690a_100000762737_100000217233 [0,2,0,0,0,0|1,0,1]=4 22132 B13R0.338 CCCSCC(C)NCCCCCO 270004a_100000762737_100011343953 [0,2,0,0,0,0|1,0,0]=3 22133 B13R0.338 CCCSCC(C)NCCOCCO 270004a_100000211614_100011343953 [0,2,0,0,0,0|2,0,0]=4 22134 B13R0.338 CCCSCC(C)NCCSCCO 270004a_100011219999_100011343953 [0,2,0,0,0,0|2,0,0]=4 22135 B13R0.338 CCOCCC(=O)CCCCCCF 1458a_100000749530_100015922095 [0,2,0,0,0,0|1,0,1]=4 22136 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100000749530_100000766143 [0,2,0,0,0,0|0,0,1]=3 22137 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100011996774_100011215890 [0,2,0,0,0,0|0,0,1]=3 22138 B13R0.338 CCOCCC(=O)CCCCCOC 1458a_100011935119_100011215890 [0,2,0,0,0,0|1,0,1]=4 22139 B13R0.338 CCOCCC(=O)NCCCCCO 240690a_100000762737_100000749530 [0,2,0,0,0,0|1,0,1]=4 22140 B13R0.338 CCOCCC(C)NCCCCCO 270004a_100000762737_200011216536 [0,2,0,0,0,0|1,0,0]=3 22141 B13R0.338 CCOCCC(C)NCCOCCO 270004a_100000211614_200011216536 [0,2,0,0,0,0|2,0,0]=4 22142 B13R0.338 CCOCCC(C)NCCSCCO 270004a_100011219999_200011216536 [0,2,0,0,0,0|2,0,0]=4 22143 B13R0.338 CCOCCCNC(=O)CCCCO 1626a_100000210961_100000695505 [0,2,0,0,0,0|1,0,1]=4 22144 B13R0.338 CCOCCCOC(C)CCCOC 34a_200011539412_100012232248 [0,2,0,0,0,0|2,0,0]=4 22145 B13R0.338 CCOCCCOC(C)CCCOC 7a_200011539412_100012232248 [0,2,0,0,0,0|2,0,0]=4 22146 B13R0.338 CCOCCOC[C@@H](N)CCCCN 34a_100016993712_100000210147 [0,2,0,0,0,0|2,0,0]=4 22147 B13R0.338 CCSCCC(=O)CCCCCCF 1458a_100000230768_100015922095 [0,2,0,0,0,0|1,0,1]=4 22148 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100000230768_100000766143 [0,2,0,0,0,0|0,0,1]=3 22149 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100011996774_100000757381 [0,2,0,0,0,0|0,0,1]=3 22150 B13R0.338 CCSCCC(=O)CCCCCOC 1458a_100011935119_100000757381 [0,2,0,0,0,0|1,0,1]=4 22151 B13R0.338 CCSCCC(=O)NCCCCCO 240690a_100000762737_100000230768 [0,2,0,0,0,0|1,0,1]=4 22152 B13R0.338 CCSCCOC[C@@H](N)CCCCN 34a_100016993712_100000757381 [0,2,0,0,0,0|2,0,0]=4 22153 B13R0.338 CN(CCCCO)CCCCCC#N 2230a_100000717598_100009813376 [0,2,0,0,0,0|1,0,1]=4 22154 B13R0.338 CN(CCCCO)CCCCCC#N 269982a_100000717598_100009813376 [0,2,0,0,0,0|1,0,1]=4 22155 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [0,2,0,0,0,0|1,0,1]=4 22156 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [0,2,0,0,0,0|1,0,1]=4 22157 B13R0.338 CN(CCCCO)CCCCCCF 2230a_100000717598_100015922095 [0,2,0,0,0,0|1,0,0]=3 22158 B13R0.338 CN(CCCCO)CCCCCCF 269982a_100000717598_100015922095 [0,2,0,0,0,0|1,0,0]=3 22159 B13R0.338 CN(CCCCO)CCCCCCO 2230a_100000717598_100000766143 [0,2,0,0,0,0|1,0,0]=3 22160 B13R0.338 CN(CCCCO)CCCCCCO 269982a_100000717598_100000766143 [0,2,0,0,0,0|1,0,0]=3 22161 B13R0.338 COCCCC(=O)CCCCCCF 1458a_100000741012_100015922095 [0,2,0,0,0,0|1,0,1]=4 22162 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100000741012_100000766143 [0,2,0,0,0,0|0,0,1]=3 22163 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100011996774_100000740836 [0,2,0,0,0,0|0,0,1]=3 22164 B13R0.338 COCCCC(=O)NCCCCCO 240690a_100000762737_100000741012 [0,2,0,0,0,0|1,0,1]=4 22165 B13R0.338 COCCCC(C)OCCCCCF 34a_200011539412_100000729378 [0,2,0,0,0,0|2,0,0]=4 22166 B13R0.338 COCCCC(C)OCCCCCF 7a_200011539412_100000729378 [0,2,0,0,0,0|2,0,0]=4 22167 B13R0.338 COCCCC(C)OCCCCCO 34a_200011539412_100000746330 [0,2,0,0,0,0|1,0,0]=3 22168 B13R0.338 COCCCC(C)OCCCCCO 7a_200011539412_100000746330 [0,2,0,0,0,0|1,0,0]=3 22169 B13R0.338 COCCCC(C)OCCOCCO 34a_200011539412_100000692535 [0,2,0,0,0,0|2,0,0]=4 22170 B13R0.338 COCCCC(C)OCCOCCO 7a_200011539412_100011215305 [0,2,0,0,0,0|2,0,0]=4 22171 B13R0.338 COCCCCCC(=O)CCCCF 1458a_100011935119_100000729493 [0,2,0,0,0,0|1,0,1]=4 22172 B13R0.338 COCCCCCC(=O)CCCCO 1458a_100011935119_100000210776 [0,2,0,0,0,0|0,0,1]=3 22173 B13R0.338 COCCCCCC(=O)CCCOC 1458a_100011935119_100000740836 [0,2,0,0,0,0|1,0,1]=4 22174 B13R0.338 COCCCCCC(=O)NCCCO 240690a_100000182051_100011935119 [0,2,0,0,0,0|1,0,1]=4 22175 B13R0.338 COCCCCCC(=O)NCCCO 527a_100000182051_100011935119 [0,2,0,0,0,0|1,0,1]=4 22176 B13R0.338 COCCCCOC(C)CCCOC 34a_200011539412_100000755781 [0,2,0,0,0,0|2,0,0]=4 22177 B13R0.338 COCCCCOC(C)CCCOC 7a_200011539412_100000730899 [0,2,0,0,0,0|2,0,0]=4 22178 B13R0.338 COCCCN(C)CCCCCCF 2230a_100000224831_100015922095 [0,2,0,0,0,0|2,0,0]=4 22179 B13R0.338 COCCCN(C)CCCCCCF 269982a_100000224831_100015922095 [0,2,0,0,0,0|2,0,0]=4 22180 B13R0.338 COCCCN(C)CCCCCCO 2230a_100000224831_100000766143 [0,2,0,0,0,0|1,0,0]=3 22181 B13R0.338 COCCCN(C)CCCCCCO 269982a_100000224831_100000766143 [0,2,0,0,0,0|1,0,0]=3 22182 B13R0.338 COCCCOC[C@@H](N)CCCCN 34a_100016993712_100000740836 [0,2,0,0,0,0|2,0,0]=4 22183 B13R0.338 COCCNC(=O)CCCCCCO 240690a_100000209980_100011996774 [0,2,0,0,0,0|1,0,1]=4 22184 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000695505_100000695917 [0,2,0,0,0,0|1,0,1]=4 22185 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000745395_100000210776 [0,2,0,0,0,0|1,0,1]=4 22186 B13R0.338 COCCOCCN(C)CCCCO 2230a_100000717598_100000695917 [0,2,0,0,0,0|2,0,0]=4 22187 B13R0.338 COCCOCCN(C)CCCCO 269982a_100000717598_100000695917 [0,2,0,0,0,0|2,0,0]=4 22188 B13R0.338 CSCCCC(=O)CCCCCCF 1458a_100000173376_100015922095 [0,2,0,0,0,0|1,0,1]=4 22189 B13R0.338 CSCCCC(=O)CCCCCCO 1458a_100000173376_100000766143 [0,2,0,0,0,0|0,0,1]=3 22190 B13R0.338 CSCCCC(=O)NCCCCCO 240690a_100000762737_100000173376 [0,2,0,0,0,0|1,0,1]=4 22191 B13R0.338 CSCCCC(C)NCCCCCO 270004a_100000762737_100011399439 [0,2,0,0,0,0|1,0,0]=3 22192 B13R0.338 CSCCCC(C)NCCOCCO 270004a_100000211614_100011399439 [0,2,0,0,0,0|2,0,0]=4 22193 B13R0.338 CSCCCC(C)NCCSCCO 270004a_100011219999_100011399439 [0,2,0,0,0,0|2,0,0]=4 22194 B13R0.338 CSCCNC(=O)CCCCCCO 240690a_100020590264_100011996774 [0,2,0,0,0,0|1,0,1]=4 22195 B13R0.338 N#CCCCC(=O)CCCCCCO 1458a_100000075515_100000766143 [0,2,0,0,0,0|0,0,2]=4 22196 B13R0.338 N#CCCCC(=O)CCCCCCO 1458a_100011996774_100000211468 [0,2,0,0,0,0|0,0,2]=4 22197 B13R0.338 N#CCCCCCC(=O)CCCCO 1458a_100000695505_100009813376 [0,2,0,0,0,0|0,0,2]=4 22198 B13R0.338 NCCCC[C@H](N)COCCCCF 34a_100016993712_100000729493 [0,2,0,0,0,0|2,0,0]=4 22199 B13R0.338 NCCCC[C@H](N)COCCCCO 34a_100016993712_100011216708 [0,2,0,0,0,0|1,0,0]=3 22200 B13R0.338 O=C(CCCCCCF)COCCO 1458a_100000708028_100015922095 [0,2,0,0,0,0|1,0,1]=4 22201 B13R0.338 O=C(CCCCCCO)COCCO 1458a_100000708028_100000766143 [0,2,0,0,0,0|1,0,1]=4 22202 B13R0.338 O=C(CCCCCCO)NCCCF 240690a_100015189416_100011996774 [0,2,0,0,0,0|1,0,1]=4 22203 B13R0.338 O=C(CCCCCCO)NCCCO 240690a_100000182051_100011996774 [0,2,0,0,0,0|1,0,1]=4 22204 B13R0.338 O=C(CCCCF)CCCCCCO 1458a_100011996774_100000729493 [0,2,0,0,0,0|0,0,1]=3 22205 B13R0.338 O=C(CCCCO)CCCCCCF 1458a_100000695505_100015922095 [0,2,0,0,0,0|0,0,1]=3 22206 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100000695505_100000766143 [0,2,0,0,0,0|0,0,1]=3 22207 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100011996774_100000210776 [0,2,0,0,0,0|0,0,1]=3 22208 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|0,0,2]=4 22209 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,2,0,0,0,0|1,0,1]=4 22210 B13R0.1 CC(C)CCCC(=O)CCCCCF 1458a_100011216857_100000729378 [0,2,0,0,0,0|1,0,1]=4 22211 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100011216857_100000746330 [0,2,0,0,0,0|0,0,1]=3 22212 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100102619762_100011214892 [0,2,0,0,0,0|0,0,1]=3 22213 B13R0.1 CC(C)CCCC(=O)CCOCCO 1458a_100011216857_100011215305 [0,2,0,0,0,0|1,0,1]=4 22214 B13R0.1 CC(C)CCCC(=O)CCOCCO 1458a_100011229844_100011214892 [0,2,0,0,0,0|1,0,1]=4 22215 B13R0.1 CC(C)CCCC(=O)NCCCCO 240690a_100000750430_100011216857 [0,2,0,0,0,0|1,0,1]=4 22216 B13R0.1 CC(C)CCCC(=O)NCCCCO 527a_100000750430_100011216857 [0,2,0,0,0,0|1,0,1]=4 22217 B13R0.1 CC(C)CCCC(C)CCNCCF 2230a_102516457229_100011217306 [0,2,0,0,0,0|2,0,0]=4 22218 B13R0.1 CC(C)CCCC(C)CCNCCF 34a_100000724931_100009816328 [0,2,0,0,0,0|2,0,0]=4 22219 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_100016997473_100009816328 [0,2,0,0,0,0|1,0,0]=3 22220 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_102516457229_100000211926 [0,2,0,0,0,0|1,0,0]=3 22221 B13R0.1 CC(C)CCCC(C)CCNCCO 34a_100016990907_100009816328 [0,2,0,0,0,0|1,0,0]=3 22222 B13R0.1 CC(C)CCCC(C)CCOCCBr 34a_100000211926_100009816328 [0,2,0,0,0,0|2,0,0]=4 22223 B13R0.1 CC(C)CCCC(C)CCOCCF 34a_100000015991_100011217306 [0,2,0,0,0,0|2,0,0]=4 22224 B13R0.1 CC(C)CCCC(C)CCOCCF 7a_100000015991_100011217306 [0,2,0,0,0,0|2,0,0]=4 22225 B13R0.1 CC(C)CCCC(C)CCOCCN 34a_100000210304_100009816328 [0,2,0,0,0,0|2,0,0]=4 22226 B13R0.1 CC(C)CCCC(C)CCOCCO 34a_100000015991_100000211926 [0,2,0,0,0,0|1,0,0]=3 22227 B13R0.1 CC(C)CCCC(C)CCOCCO 7a_100000015991_100000211926 [0,2,0,0,0,0|1,0,0]=3 22228 B13R0.1 CC(C)CCCC(C)CCSCCF 62a_100009816328_100011217306 [0,2,0,0,0,0|2,0,0]=4 22229 B13R0.1 CC(C)CCCC(C)CCSCCF 62a_100011217306_100009816328 [0,2,0,0,0,0|2,0,0]=4 22230 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100000211926_100009816328 [0,2,0,0,0,0|1,0,0]=3 22231 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100009816328_100000211926 [0,2,0,0,0,0|1,0,0]=3 22232 B13R0.1 CC(C)CCCC(C)NCCCCF 2230a_100000210607_100000729493 [0,2,0,0,0,0|2,0,0]=4 22233 B13R0.1 CC(C)CCCC(C)NCCCCO 2230a_100000210607_100000210776 [0,2,0,0,0,0|1,0,0]=3 22234 B13R0.1 CC(C)CCCC(C)NCCCCO 270004a_100000750430_100000753411 [0,2,0,0,0,0|1,0,0]=3 22235 B13R0.1 CC(C)CCCC(C)OCCCCF 34a_200011218570_100000729493 [0,2,0,0,0,0|2,0,0]=4 22236 B13R0.1 CC(C)CCCC(C)OCCCCF 7a_200011218570_100000729493 [0,2,0,0,0,0|2,0,0]=4 22237 B13R0.1 CC(C)CCCC(C)OCCCCO 34a_200011218570_100011216708 [0,2,0,0,0,0|1,0,0]=3 22238 B13R0.1 CC(C)CCCC(C)OCCCCO 7a_200011218570_100000210776 [0,2,0,0,0,0|1,0,0]=3 22239 B13R0.1 CC(C)CCCN(C)CCCCCO 2230a_100000722520_100011214892 [0,2,0,0,0,0|1,0,0]=3 22240 B13R0.1 CC(C)CCCN(C)CCCCCO 269982a_100000722520_100011214892 [0,2,0,0,0,0|1,0,0]=3 22241 B13R0.1 CC(C)CCCN(C)CCOCCO 2230a_100000228057_100011214892 [0,2,0,0,0,0|2,0,0]=4 22242 B13R0.1 CC(C)CCCN(C)CCOCCO 269982a_100000228057_100011214892 [0,2,0,0,0,0|2,0,0]=4 22243 B13R0.1 CC(C)CCNC(=O)CCCCCO 240690a_100000210545_100102619762 [0,2,0,0,0,0|1,0,1]=4 22244 B13R0.1 CC(C)COCC(=O)CCCCCO 1458a_100011223364_100000746330 [0,2,0,0,0,0|1,0,1]=4 22245 B13R0.1 CC(C)OCCC(=O)CCCCCO 1458a_100102619762_100000211751 [0,2,0,0,0,0|1,0,1]=4 22246 B13R0.1 CC(C)OCCN(C)CCCCCO 2230a_100000722520_100000211751 [0,2,0,0,0,0|2,0,0]=4 22247 B13R0.1 CC(C)OCCN(C)CCCCCO 269982a_100000722520_100000211751 [0,2,0,0,0,0|2,0,0]=4 22248 B13R0.1 CC(C)SCCC(=O)CCCCCO 1458a_100102619762_100000730970 [0,2,0,0,0,0|1,0,1]=4 22249 B13R0.1 CC(C)SCCN(C)CCCCCO 2230a_100000722520_100000730970 [0,2,0,0,0,0|2,0,0]=4 22250 B13R0.1 CC(C)SCCN(C)CCCCCO 269982a_100000722520_100000730970 [0,2,0,0,0,0|2,0,0]=4 22251 B13R0.1 CC(CCOC(C)C)NCCCCO 270004a_100000750430_200011219172 [0,2,0,0,0,0|2,0,0]=4 22252 B13R0.1 CC(O)CCCC(=O)CCCCCO 1458a_100102619762_200000718107 [0,2,0,0,0,0|0,0,1]=3 22253 B13R0.1 CC(O)CCCC(=O)CCOCCO 1458a_100011229844_200000718107 [0,2,0,0,0,0|1,0,1]=4 22254 B13R0.1 CC(O)CCCC(=O)NCCCCO 527a_100000750430_100000761597 [0,2,0,0,0,0|1,0,1]=4 22255 B13R0.1 CC(O)CCCN(C)CCCCCO 2230a_100000722520_200000718107 [0,2,0,0,0,0|1,0,0]=3 22256 B13R0.1 CC(O)CCCN(C)CCCCCO 269982a_100000722520_200000718107 [0,2,0,0,0,0|1,0,0]=3 22257 B13R0.1 CC(O)CCCN(C)CCOCCO 2230a_100000228057_200000718107 [0,2,0,0,0,0|2,0,0]=4 22258 B13R0.1 CC(O)CCCN(C)CCOCCO 269982a_100000228057_200000718107 [0,2,0,0,0,0|2,0,0]=4 22259 B13R0.1 CC(O)CCNC(=O)CCCCCO 240690a_200000755665_100102619762 [0,2,0,0,0,0|1,0,1]=4 22260 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210757 [0,2,0,0,0,0|1,0,1]=4 22261 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100102632555_100011214892 [0,2,0,0,0,0|1,0,1]=4 22262 B13R0.1 CCCCCCC(=O)CCCC(C)O 1458a_100102632555_200000718107 [0,2,0,0,0,0|0,0,1]=3 22263 B13R0.1 CCCCCCC(=O)NCCC(C)O 240690a_200000755665_100102632555 [0,2,0,0,0,0|1,0,1]=4 22264 B13R0.1 CCCCCCC(=O)NCCC(C)O 527a_200000755665_100102632555 [0,2,0,0,0,0|1,0,1]=4 22265 B13R0.1 CCCCCCC(C)CCOC(C)C 34a_200011024964_100000210206 [0,2,0,0,0,0|2,0,0]=4 22266 B13R0.1 CCCCCCC(C)CCOC(C)C 7a_200011024964_100000210206 [0,2,0,0,0,0|2,0,0]=4 22267 B13R0.1 CCCCCCC(C)NCCC(C)C 2230a_100000210919_100000210312 [0,2,0,0,0,0|2,0,0]=4 22268 B13R0.1 CCCCCCC(C)NCCC(C)C 269862a_100000210919_100000185833 [0,2,0,0,0,0|2,0,0]=4 22269 B13R0.1 CCCCCCC(C)NCCC(C)C 270004a_100000210545_100000210826 [0,2,0,0,0,0|2,0,0]=4 22270 B13R0.1 CCCCCCC(C)NCCC(C)C 34a_100000210919_100000210312 [0,2,0,0,0,0|2,0,0]=4 22271 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_100000210919_100012276601 [0,2,0,0,0,0|1,0,0]=3 22272 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_200000755665_100011215978 [0,2,0,0,0,0|1,0,0]=3 22273 B13R0.1 CCCCCCC(C)NCCC(C)O 270004a_200000755665_100000210826 [0,2,0,0,0,0|1,0,0]=3 22274 B13R0.1 CCCCCCC(C)NCCC(C)O 34a_100000210919_100012276601 [0,2,0,0,0,0|1,0,0]=3 22275 B13R0.1 CCCCCCC(C)OCCC(C)Br 34a_100009893172_100011215978 [0,2,0,0,0,0|2,0,0]=4 22276 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210254_100011215978 [0,2,0,0,0,0|2,0,0]=4 22277 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210265_100000210312 [0,2,0,0,0,0|2,0,0]=4 22278 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210254_100011215978 [0,2,0,0,0,0|2,0,0]=4 22279 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210265_100000210626 [0,2,0,0,0,0|2,0,0]=4 22280 B13R0.1 CCCCCCC(C)OCCC(C)O 34a_100000210265_100012276601 [0,2,0,0,0,0|1,0,0]=3 22281 B13R0.1 CCCCCCC(C)OCCC(C)O 7a_100000210265_100012276601 [0,2,0,0,0,0|1,0,0]=3 22282 B13R0.1 CCCCCCC(C)OCCC(F)F 34a_100103093639_100011215978 [0,2,0,0,0,0|2,0,0]=4 22283 B13R0.1 CCCCCCC(C)OCC[C@@H](C)N 34a_100000706166_100011215978 [0,2,0,0,0,0|2,0,0]=4 22284 B13R0.1 CCCCCCC(C)SCCC(C)C 62a_100000210312_100011215978 [0,2,0,0,0,0|2,0,0]=4 22285 B13R0.1 CCCCCCC(C)SCCC(C)C 62a_100011215978_100000210312 [0,2,0,0,0,0|2,0,0]=4 22286 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100011215978_100012276601 [0,2,0,0,0,0|1,0,0]=3 22287 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100012276601_100011215978 [0,2,0,0,0,0|1,0,0]=3 22288 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|1,0,1]=4 22289 B13R0.1 CCCCCCN(C)CCCC(C)C 2230a_106256046315_100011214892 [0,2,0,0,0,0|2,0,0]=4 22290 B13R0.1 CCCCCCN(C)CCCC(C)C 269982a_106256046315_100011214892 [0,2,0,0,0,0|2,0,0]=4 22291 B13R0.1 CCCCCCN(C)CCCC(C)O 2230a_106256046315_200000718107 [0,2,0,0,0,0|1,0,0]=3 22292 B13R0.1 CCCCCCN(C)CCCC(C)O 269982a_106256046315_200000718107 [0,2,0,0,0,0|1,0,0]=3 22293 B13R0.1 CCCCCNC(=O)CCCC(C)O 1626a_100000209983_100000761597 [0,2,0,0,0,0|1,0,1]=4 22294 B13R0.1 CCCCCNC(=O)CCCC(C)O 527a_100000209983_100000761597 [0,2,0,0,0,0|1,0,1]=4 22295 B13R0.1 CCCCCNC(C)CCCC(C)C 2230a_100000210607_100000210326 [0,2,0,0,0,0|2,0,0]=4 22296 B13R0.1 CCCCCNC(C)CCCC(C)C 270004a_100000209983_100000753411 [0,2,0,0,0,0|2,0,0]=4 22297 B13R0.1 CCCCCOC(C)CCCC(C)C 34a_200011218570_100000718602 [0,2,0,0,0,0|2,0,0]=4 22298 B13R0.1 CCCCCOC(C)CCCC(C)C 7a_200011218570_100000210326 [0,2,0,0,0,0|2,0,0]=4 22299 B13R0.1 CCCCOCC(=O)CCCC(C)O 1458a_100000757543_200000718107 [0,2,0,0,0,0|1,0,1]=4 22300 B13R0.1 CCCCOCC(C)OCCC(C)O 34a_100011217071_100012276601 [0,2,0,0,0,0|2,0,0]=4 22301 B13R0.1 CCCCOCC(C)OCCC(C)O 7a_100011217071_100012276601 [0,2,0,0,0,0|2,0,0]=4 22302 B13R0.1 CCCCSCC(=O)CCCC(C)O 1458a_100000191162_200000718107 [0,2,0,0,0,0|1,0,1]=4 22303 B13R0.1 CCCNCCC(C)CCCC(C)C 2230a_102516457229_100000210303 [0,2,0,0,0,0|2,0,0]=4 22304 B13R0.1 CCCOCCC(C)CCCC(C)C 34a_100000015991_100000210303 [0,2,0,0,0,0|2,0,0]=4 22305 B13R0.1 CCCOCCC(C)CCCC(C)C 34a_100000210258_100009816328 [0,2,0,0,0,0|2,0,0]=4 22306 B13R0.1 CCCOCCC(C)CCCC(C)C 7a_100000015991_100000210303 [0,2,0,0,0,0|2,0,0]=4 22307 B13R0.1 CCCSCCC(C)CCCC(C)C 62a_100000210303_100009816328 [0,2,0,0,0,0|2,0,0]=4 22308 B13R0.1 CCCSCCC(C)CCCC(C)C 62a_100009816328_100000210303 [0,2,0,0,0,0|2,0,0]=4 22309 B13R0.1 CN(C)CCCC(=O)CCCCCO 1458a_100102619762_100000695564 [0,2,0,0,0,0|1,0,1]=4 22310 B13R0.1 CN(C)CCCN(C)CCCCCO 269982a_100000225831_100000746330 [0,2,0,0,0,0|2,0,0]=4 22311 B13R0.1 CN(C)CCCN(C)CCCCCO 269982a_100000722520_100000757444 [0,2,0,0,0,0|2,0,0]=4 22312 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,2,0,0,0,0|0,0,2]=4 22313 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [0,2,0,0,0,0|1,0,1]=4 22314 B13R0.188 CC(C)CCCCC(=O)CCCCF 1458a_100011933920_100000729493 [0,2,0,0,0,0|1,0,1]=4 22315 B13R0.188 CC(C)CCCCC(=O)CCCCO 1458a_100000695505_100011216152 [0,2,0,0,0,0|0,0,1]=3 22316 B13R0.188 CC(C)CCCCC(=O)CCCCO 1458a_100011933920_100000210776 [0,2,0,0,0,0|0,0,1]=3 22317 B13R0.188 CC(C)CCCCC(=O)COCCO 1458a_100000708028_100011216152 [0,2,0,0,0,0|1,0,1]=4 22318 B13R0.188 CC(C)CCCCC(=O)NCCCO 240690a_100000182051_100011933920 [0,2,0,0,0,0|1,0,1]=4 22319 B13R0.188 CC(C)CCCCC(=O)NCCCO 527a_100000182051_100011933920 [0,2,0,0,0,0|1,0,1]=4 22320 B13R0.188 CC(C)CCCCN(C)CCCCO 2230a_100000717598_100011216152 [0,2,0,0,0,0|1,0,0]=3 22321 B13R0.188 CC(C)CCCCN(C)CCCCO 269982a_100000717598_100011216152 [0,2,0,0,0,0|1,0,0]=3 22322 B13R0.188 CC(C)CCCNC(=O)CCCCO 1626a_200000737386_100000695505 [0,2,0,0,0,0|1,0,1]=4 22323 B13R0.188 CC(C)CCOC[C@@H](N)CCCCN 34a_100016993712_100000210312 [0,2,0,0,0,0|2,0,0]=4 22324 B13R0.188 CC(C)COCCC(C)NCCCO 270004a_100000182051_200011216429 [0,2,0,0,0,0|2,0,0]=4 22325 B13R0.188 CC(O)CCOC[C@@H](N)CCCCN 34a_100016993712_100012276601 [0,2,0,0,0,0|2,0,0]=4 22326 B13R0.188 CCCCCC(=O)CCCCB(O)O 1458a_100000212188_200009817182 [0,2,0,0,0,0|1,0,1]=4 22327 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100000212188_100011216152 [0,2,0,0,0,0|1,0,1]=4 22328 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210326 [0,2,0,0,0,0|1,0,1]=4 22329 B13R0.188 CCCCCC(=O)CNCCC(C)O 2230a_200000755665_200012276598 [0,2,0,0,0,0|1,0,1]=4 22330 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_100012276601_200012276598 [0,2,0,0,0,0|1,0,1]=4 22331 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_200012276598_100012276601 [0,2,0,0,0,0|1,0,1]=4 22332 B13R0.188 CCCCCC(C)NCCCC(C)C 2230a_100000211957_100011214892 [0,2,0,0,0,0|2,0,0]=4 22333 B13R0.188 CCCCCC(C)NCCCC(C)C 2230a_200000737386_200011218191 [0,2,0,0,0,0|2,0,0]=4 22334 B13R0.188 CCCCCC(C)NCCCC(C)C 270004a_200000737386_100000211708 [0,2,0,0,0,0|2,0,0]=4 22335 B13R0.188 CCCCCC(C)NCCCC(C)C 34a_200000737386_200011218191 [0,2,0,0,0,0|2,0,0]=4 22336 B13R0.188 CCCCCC(C)NCCCC(C)O 2230a_100000211957_200000718107 [0,2,0,0,0,0|1,0,0]=3 22337 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100000210774_200011218191 [0,2,0,0,0,0|2,0,0]=4 22338 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100011215632_100011214892 [0,2,0,0,0,0|2,0,0]=4 22339 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100000210774_200011218191 [0,2,0,0,0,0|2,0,0]=4 22340 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100011215632_100011214892 [0,2,0,0,0,0|2,0,0]=4 22341 B13R0.188 CCCCCC(C)OCCCC(C)O 34a_100011215632_200000718107 [0,2,0,0,0,0|1,0,0]=3 22342 B13R0.188 CCCCCC(C)OCCCC(C)O 7a_100011215632_200000718107 [0,2,0,0,0,0|1,0,0]=3 22343 B13R0.188 CCCCCC(C)SCCCC(C)C 62a_100011214892_200011218191 [0,2,0,0,0,0|2,0,0]=4 22344 B13R0.188 CCCCCC(C)SCCCC(C)C 62a_200011218191_100011214892 [0,2,0,0,0,0|2,0,0]=4 22345 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200000718107_200011218191 [0,2,0,0,0,0|1,0,0]=3 22346 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200011218191_200000718107 [0,2,0,0,0,0|1,0,0]=3 22347 B13R0.188 CCCCCN(C)CCCCB(O)O 2230a_100000223495_200009817182 [0,2,0,0,0,0|2,0,0]=4 22348 B13R0.188 CCCCCN(C)CCCCB(O)O 269982a_100000223495_200009817182 [0,2,0,0,0,0|2,0,0]=4 22349 B13R0.188 CCCCCN(C)CCCCC(C)C 2230a_100000223495_100011216152 [0,2,0,0,0,0|2,0,0]=4 22350 B13R0.188 CCCCCN(C)CCCCC(C)C 269982a_100000223495_100011216152 [0,2,0,0,0,0|2,0,0]=4 22351 B13R0.188 CN(C)CCCCN(C)CCCCO 269982a_100000717598_100000690147 [0,2,0,0,0,0|2,0,0]=4 22352 B13R0.188 COCCCC(C)OCCCC(C)O 34a_200011539412_200000718107 [0,2,0,0,0,0|2,0,0]=4 22353 B13R0.188 COCCCC(C)OCCCC(C)O 7a_200011539412_200000718107 [0,2,0,0,0,0|2,0,0]=4 22354 B13R0.194 CCC(C)CCNC(=O)CCCCO 1626a_100020591266_100000695505 [0,2,0,0,0,0|1,0,1]=4 22355 B13R0.194 CCC(C)COC[C@@H](N)CCCCN 34a_100016993712_100000748023 [0,2,0,0,0,0|2,0,0]=4 22356 B13R0.194 CCC(O)COC[C@@H](N)CCCCN 34a_100016993712_100011218378 [0,2,0,0,0,0|2,0,0]=4 22357 B13R0.194 CCCCCC(=O)CNCC(C)CO 34a_100000744482_200012276598 [0,2,0,0,0,0|1,0,1]=4 22358 B13R0.194 CCCCCC(=O)CNC[C@@H](F)CO 34a_100015665980_200012276598 [0,2,0,0,0,0|1,0,1]=4 22359 B13R0.194 CCCCCC(=O)CNC[C@H](O)CO 2230a_100020644852_200012276598 [0,2,0,0,0,0|1,0,1]=4 22360 B13R0.194 CCCCCC(=O)CSCC(O)CO 62a_100011219619_200012276598 [0,2,0,0,0,0|1,0,1]=4 22361 B13R0.194 CCCCCC(=O)CSCC(O)CO 62a_200012276598_100011219619 [0,2,0,0,0,0|1,0,1]=4 22362 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CO 62a_100000059175_200012276598 [0,2,0,0,0,0|1,0,1]=4 22363 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CO 62a_200012276598_100000059175 [0,2,0,0,0,0|1,0,1]=4 22364 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CO 62a_100009815848_200012276598 [0,2,0,0,0,0|1,0,1]=4 22365 B13R0.194 CCCCCC(=O)CSC[C@@H](O)CO 62a_200012276598_100009815848 [0,2,0,0,0,0|1,0,1]=4 22366 B13R0.194 CCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000212188 [0,2,0,0,0,0|1,0,1]=4 22367 B13R0.194 CCCCCC(=O)NCCC(C)CO 527a_106354213184_100000212188 [0,2,0,0,0,0|1,0,1]=4 22368 B13R0.194 CCCCCC(C)NCCC(C)CC 2230a_100020591266_200011218191 [0,2,0,0,0,0|2,0,0]=4 22369 B13R0.194 CCCCCC(C)NCCC(C)CC 270004a_100020591266_100000211708 [0,2,0,0,0,0|2,0,0]=4 22370 B13R0.194 CCCCCC(C)NCCC(C)CO 2230a_106354213184_200011218191 [0,2,0,0,0,0|1,0,0]=3 22371 B13R0.194 CCCCCC(C)NCCC(C)CO 270004a_106354213184_100000211708 [0,2,0,0,0,0|1,0,0]=3 22372 B13R0.194 CCCCCC(C)NCCC(C)CO 34a_106354213184_200011218191 [0,2,0,0,0,0|1,0,0]=3 22373 B13R0.194 CCCCCC(C)OCCC(C)CC 7a_100011215188_200011218191 [0,2,0,0,0,0|2,0,0]=4 22374 B13R0.194 CCCSCC(C)NCCC(C)CO 270004a_106354213184_100011343953 [0,2,0,0,0,0|2,0,0]=4 22375 B13R0.194 CCN(C)CCCC(=O)CCCCO 1458a_100000695505_100015186262 [0,2,0,0,0,0|1,0,1]=4 22376 B13R0.194 CCN(C)CCCN(C)CCCCO 2230a_100000717598_100015186262 [0,2,0,0,0,0|2,0,0]=4 22377 B13R0.194 CCN(C)CCCN(C)CCCCO 269982a_100000717598_100015186262 [0,2,0,0,0,0|2,0,0]=4 22378 B13R0.194 CCOCCC(C)NCCC(C)CO 270004a_106354213184_200011216536 [0,2,0,0,0,0|2,0,0]=4 22379 B13R0.194 CC[C@H](C)COC[C@@H](N)CCCCN 34a_100016993712_100009816398 [0,2,0,0,0,0|2,0,0]=4 22380 B13R0.194 CSCCCC(C)NCCC(C)CO 270004a_106354213184_100011399439 [0,2,0,0,0,0|2,0,0]=4 22381 B13R0.194 C[C@@H](CO)COC[C@@H](N)CCCCN 34a_100016993712_100000059175 [0,2,0,0,0,0|2,0,0]=4 22382 B13R0.194 NCCCC[C@H](N)COCC(O)CO 34a_100016993712_100011219619 [0,2,0,0,0,0|2,0,0]=4 22383 B13R0.194 NCCCC[C@H](N)COC[C@@H](O)CO 34a_100016993712_100009815848 [0,2,0,0,0,0|2,0,0]=4 22384 B13R0.195 CCCCC(C)NC(=O)CCCCO 1626a_100000126638_100000695505 [0,2,0,0,0,0|1,0,1]=4 22385 B13R0.195 CCCCCC(=O)CN(C)CCCO 2230a_100000213112_200012276598 [0,2,0,0,0,0|1,0,1]=4 22386 B13R0.195 CCCCCC(=O)CN(C)CCCO 269982a_100000213112_200012276598 [0,2,0,0,0,0|1,0,1]=4 22387 B13R0.195 CCCCCC(C)NC(C)CCCC 2230a_100000126638_200011218191 [0,2,0,0,0,0|2,0,0]=4 22388 B13R0.195 CCCCCC(C)NC(C)CCCC 2230a_100000211957_200011215066 [0,2,0,0,0,0|2,0,0]=4 22389 B13R0.195 CCCCCC(C)NC(C)CCCC 270004a_100000126638_100000211708 [0,2,0,0,0,0|2,0,0]=4 22390 B13R0.195 CCCCCC(C)NC(C)CCCC 270004a_100000211957_100000210087 [0,2,0,0,0,0|2,0,0]=4 22391 B13R0.195 CCCCCC(C)OC(C)CCCC 34a_100000687866_200011218191 [0,2,0,0,0,0|2,0,0]=4 22392 B13R0.195 CCCCCC(C)OC(C)CCCC 34a_100011215632_200011215066 [0,2,0,0,0,0|2,0,0]=4 22393 B13R0.195 CCCCCC(C)OC(C)CCCC 7a_100000687866_200011218191 [0,2,0,0,0,0|2,0,0]=4 22394 B13R0.195 CCCCCC(C)OC(C)CCCC 7a_100011215632_200011215066 [0,2,0,0,0,0|2,0,0]=4 22395 B13R0.195 CCCCCC(C)OC(C)CCCCl 34a_200000718107_200011218191 [0,2,0,0,0,0|2,0,0]=4 22396 B13R0.195 CCCCCC(C)OC(C)CCCCl 7a_200000718107_200011218191 [0,2,0,0,0,0|2,0,0]=4 22397 B13R0.195 CCCCCC(C)SC(C)CCCC 62a_200011215066_200011218191 [0,2,0,0,0,0|2,0,0]=4 22398 B13R0.195 CCCCCC(C)SC(C)CCCC 62a_200011218191_200011215066 [0,2,0,0,0,0|2,0,0]=4 22399 B13R0.278 C#CC(CCCCC)OCCCCC 34a_100011216489_100000718602 [0,2,0,0,0,0|2,0,0]=4 22400 B13R0.278 C#CC(CCCCC)OCCCCC 7a_100011216489_100000210326 [0,2,0,0,0,0|2,0,0]=4 22401 B13R0.278 C#CC(CCCCC)OCCCCF 34a_100011216489_100000729493 [0,2,0,0,0,0|2,0,0]=4 22402 B13R0.278 C#CC(CCCCC)OCCCCF 7a_100011216489_100000729493 [0,2,0,0,0,0|2,0,0]=4 22403 B13R0.278 C#CC(CCCCC)OCCCCO 34a_100011216489_100011216708 [0,2,0,0,0,0|1,0,0]=3 22404 B13R0.278 C#CC(CCCCC)OCCCCO 7a_100011216489_100000210776 [0,2,0,0,0,0|1,0,0]=3 22405 B13R0.278 C#CC(CCCCCBr)OCCCC 34a_200010408556_100000210210 [0,2,0,0,0,0|2,0,0]=4 22406 B13R0.278 C#CC(CCCCCBr)OCCCC 7a_200010408556_100000210211 [0,2,0,0,0,0|2,0,0]=4 22407 B13R0.278 C#CC(CCCCCBr)OCCCO 34a_200010408556_100000230001 [0,2,0,0,0,0|2,0,0]=4 22408 B13R0.278 C#CC(CCCCCBr)OCCCO 7a_200010408556_100011215043 [0,2,0,0,0,0|2,0,0]=4 22409 B13R0.278 C=CC(CCCCC)OCCCCC 34a_100011216863_100000718602 [0,2,0,0,0,0|2,0,0]=4 22410 B13R0.278 C=CC(CCCCC)OCCCCC 7a_100011216863_100000210326 [0,2,0,0,0,0|2,0,0]=4 22411 B13R0.278 C=CC(CCCCC)OCCCCF 34a_100011216863_100000729493 [0,2,0,0,0,0|2,0,0]=4 22412 B13R0.278 C=CC(CCCCC)OCCCCF 7a_100011216863_100000729493 [0,2,0,0,0,0|2,0,0]=4 22413 B13R0.278 C=CC(CCCCC)OCCCCO 34a_100011216863_100011216708 [0,2,0,0,0,0|1,0,0]=3 22414 B13R0.278 C=CC(CCCCC)OCCCCO 7a_100011216863_100000210776 [0,2,0,0,0,0|1,0,0]=3 22415 B13R0.278 C=CC(CCCCCC)OCCCC 34a_200011215977_100000210210 [0,2,0,0,0,0|2,0,0]=4 22416 B13R0.278 C=CC(CCCCCC)OCCCC 7a_200011215977_100000210211 [0,2,0,0,0,0|2,0,0]=4 22417 B13R0.278 C=CC(CCCCCC)OCCCF 34a_200011215977_100011934791 [0,2,0,0,0,0|2,0,0]=4 22418 B13R0.278 C=CC(CCCCCC)OCCCF 7a_200011215977_100011934791 [0,2,0,0,0,0|2,0,0]=4 22419 B13R0.278 C=CC(CCCCCC)OCCCO 34a_200011215977_100000230001 [0,2,0,0,0,0|1,0,0]=3 22420 B13R0.278 C=CC(CCCCCC)OCCCO 7a_200011215977_100011215043 [0,2,0,0,0,0|1,0,0]=3 22421 B13R0.278 CCCCCC(CC)NCCCCO 270004a_100000750430_100011215316 [0,2,0,0,0,0|1,0,0]=3 22422 B13R0.278 CCCCCC(CC)OCCCCF 34a_100011215405_100000729493 [0,2,0,0,0,0|2,0,0]=4 22423 B13R0.278 CCCCCC(CC)OCCCCF 7a_100011215405_100000729493 [0,2,0,0,0,0|2,0,0]=4 22424 B13R0.278 CCCCCC(CC)OCCCCO 34a_100011215405_100011216708 [0,2,0,0,0,0|1,0,0]=3 22425 B13R0.278 CCCCCC(CC)OCCCCO 7a_100011215405_100000210776 [0,2,0,0,0,0|1,0,0]=3 22426 B13R0.278 CCCCCCC(CC)NCCCC 270004a_100000102301_100011219640 [0,2,0,0,0,0|2,0,0]=4 22427 B13R0.278 CCCCCCC(CC)NCCCF 270004a_100015189416_100011219640 [0,2,0,0,0,0|2,0,0]=4 22428 B13R0.278 CCCCCCC(CC)NCCCO 270004a_100000182051_100011219640 [0,2,0,0,0,0|1,0,0]=3 22429 B13R0.278 CCCCCCC(CC)OCCCC 34a_100011215785_100000210210 [0,2,0,0,0,0|2,0,0]=4 22430 B13R0.278 CCCCCCC(CC)OCCCC 7a_100011215785_100000210211 [0,2,0,0,0,0|2,0,0]=4 22431 B13R0.278 CCCCCCC(CC)OCCCF 34a_100011215785_100011934791 [0,2,0,0,0,0|2,0,0]=4 22432 B13R0.278 CCCCCCC(CC)OCCCF 7a_100011215785_100011934791 [0,2,0,0,0,0|2,0,0]=4 22433 B13R0.278 CCCCCCC(CC)OCCCO 34a_100011215785_100000230001 [0,2,0,0,0,0|1,0,0]=3 22434 B13R0.278 CCCCCCC(CC)OCCCO 7a_100011215785_100011215043 [0,2,0,0,0,0|1,0,0]=3 22435 B13R0.278 CCCCCCN(CC)CCCCO 2230a_100011217355_100000210314 [0,2,0,0,0,0|1,0,0]=3 22436 B13R0.278 CCCCCCN(CC)CCCCO 269982a_100011217355_100000210757 [0,2,0,0,0,0|1,0,0]=3 22437 B13R0.278 CCCCCNC(CC)CCCCC 270004a_100000209983_100011215316 [0,2,0,0,0,0|2,0,0]=4 22438 B13R0.278 CCCCCOC(CC)CCCCC 34a_100011215405_100000718602 [0,2,0,0,0,0|2,0,0]=4 22439 B13R0.278 CCCCCOC(CC)CCCCC 7a_100011215405_100000210326 [0,2,0,0,0,0|2,0,0]=4 22440 B13R0.278 CCCCOCN(CC)CCCCO 2230a_100011217355_100011995733 [0,2,0,0,0,0|2,0,0]=4 22441 B13R0.278 CCCCOCN(CC)CCCCO 269982a_100011217355_100011995733 [0,2,0,0,0,0|2,0,0]=4 22442 B13R0.278 CCCOCCN(CC)CCCCO 2230a_100011217355_100011215938 [0,2,0,0,0,0|2,0,0]=4 22443 B13R0.278 CCCOCCN(CC)CCCCO 269982a_100011217355_100011215938 [0,2,0,0,0,0|2,0,0]=4 22444 B13R0.278 CCN(CCCCO)CCCCCF 2230a_100011217355_100000729378 [0,2,0,0,0,0|2,0,0]=4 22445 B13R0.278 CCN(CCCCO)CCCCCF 269982a_100011217355_100000729378 [0,2,0,0,0,0|2,0,0]=4 22446 B13R0.278 CCN(CCCCO)CCCCCO 2230a_100011217355_100000746330 [0,2,0,0,0,0|2,0,0]=4 22447 B13R0.278 CCN(CCCCO)CCCCCO 269982a_100011217355_100000746330 [0,2,0,0,0,0|2,0,0]=4 22448 B13R0.278 CCN(CCCCO)CCCCOC 2230a_100011217355_100000730899 [0,2,0,0,0,0|2,0,0]=4 22449 B13R0.278 CCN(CCCCO)CCCCOC 269982a_100011217355_100000730899 [0,2,0,0,0,0|2,0,0]=4 22450 B13R0.278 CCOCCCN(CC)CCCCO 2230a_100011217355_100012232248 [0,2,0,0,0,0|2,0,0]=4 22451 B13R0.278 CCOCCCN(CC)CCCCO 269982a_100011217355_100012232248 [0,2,0,0,0,0|2,0,0]=4 22452 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100000212188_200011218191 [0,2,0,0,0,0|1,0,1]=4 22453 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000210326 [0,2,0,0,0,0|1,0,1]=4 22454 B13R0.398 CCCCCC(=O)N(C)CCCCO 240690a_100000717598_100000212188 [0,2,0,0,0,0|1,0,1]=4 22455 B13R0.398 CCCCCC(C)C(=O)CCCCF 1458a_100011215998_100000729493 [0,2,0,0,0,0|1,0,1]=4 22456 B13R0.398 CCCCCC(C)C(=O)CCCCO 1458a_100000695505_200011218191 [0,2,0,0,0,0|0,0,1]=3 22457 B13R0.398 CCCCCC(C)C(=O)CCCCO 1458a_100011215998_100000210776 [0,2,0,0,0,0|0,0,1]=3 22458 B13R0.398 CCCCCC(C)C(=O)COCCO 1458a_100000708028_200011218191 [0,2,0,0,0,0|1,0,1]=4 22459 B13R0.398 CCCCCC(C)C(=O)NCCCO 240690a_100000182051_100011215998 [0,2,0,0,0,0|1,0,1]=4 22460 B13R0.398 CCCCCC(C)C(=O)NCCCO 527a_100000182051_100011215998 [0,2,0,0,0,0|1,0,1]=4 22461 B13R0.398 CCCCCC(C)N(C)CCCCC 2230a_100000223495_200011218191 [0,2,0,0,0,0|2,0,0]=4 22462 B13R0.398 CCCCCC(C)N(C)CCCCC 269982a_100000223495_200011218191 [0,2,0,0,0,0|2,0,0]=4 22463 B13R0.398 CCCCCC(C)N(C)CCCCC 270004a_100000223495_100000211708 [0,2,0,0,0,0|2,0,0]=4 22464 B13R0.398 CCCCCC(C)N(C)CCCCO 2230a_100000717598_200011218191 [0,2,0,0,0,0|1,0,0]=3 22465 B13R0.398 CCCCCC(C)N(C)CCCCO 269982a_100000717598_200011218191 [0,2,0,0,0,0|1,0,0]=3 22466 B13R0.398 CCCCCC(C)N(C)CCCCO 270004a_100000717598_100000211708 [0,2,0,0,0,0|1,0,0]=3 22467 B13R0.398 CCCCCN(C)C(=O)CCCCO 1626a_100000223495_100000695505 [0,2,0,0,0,0|1,0,1]=4 22468 B13R0.398 CCCCSC(C)C(=O)CCCCO 1458a_100000191163_100000210776 [0,2,0,0,0,0|1,0,1]=4 22469 B13R0.398 CCCSCC(C)N(C)CCCCO 270004a_100000717598_100011343953 [0,2,0,0,0,0|2,0,0]=4 22470 B13R0.398 CCOCCC(C)N(C)CCCCO 270004a_100000717598_200011216536 [0,2,0,0,0,0|2,0,0]=4 22471 B13R0.398 CSCCCC(C)N(C)CCCCO 270004a_100000717598_100011399439 [0,2,0,0,0,0|2,0,0]=4 22472 B13R0.1129 CC(C)(CCCCCBr)OCCCO 7a_100010402123_100011215043 [0,2,0,0,0,0|2,0,0]=4 22473 B13R0.1129 CCCCCCC(C)(C)OCCCC 7a_200011995690_100000210211 [0,2,0,0,0,0|2,0,0]=4 22474 B13R0.1129 CCCCCCC(C)(C)OCCCF 7a_200011995690_100011934791 [0,2,0,0,0,0|2,0,0]=4 22475 B13R0.1129 CCCCCCC(C)(C)OCCCO 7a_200011995690_100011215043 [0,2,0,0,0,0|1,0,0]=3 22476 B13R0.1129 CCCCCCS(=O)(=O)NCCCO 270084a_100000182051_100011361803 [0,2,0,0,0,0|2,0,0]=4 22477 B13R0.1129 CCCCCCS(=O)(=O)NCCCO 274078a_100000182051_100011361803 [0,2,0,0,0,0|2,0,0]=4 22478 B13R0.1129 CCCCCS(=O)(=O)NCCCCO 270084a_100000750430_100000753860 [0,2,0,0,0,0|2,0,0]=4 22479 B13R0.1129 CCCCCS(=O)(=O)NCCCCO 274078a_100000750430_100000753860 [0,2,0,0,0,0|2,0,0]=4 22480 B13R0.1129 CCCCOC(C)(C)CCCCCBr 7a_100010402123_100000210211 [0,2,0,0,0,0|2,0,0]=4 22481 B13R0.1170 CCC(C)CCC(=O)CCCCCF 1458a_100000701222_100000729378 [0,2,0,0,0,0|1,0,1]=4 22482 B13R0.1170 CCC(C)CCC(=O)CCCCCO 1458a_100000701222_100000746330 [0,2,0,0,0,0|0,0,1]=3 22483 B13R0.1170 CCC(C)CCC(=O)CCOCCO 1458a_100000701222_100011215305 [0,2,0,0,0,0|1,0,1]=4 22484 B13R0.1170 CCC(C)CCC(=O)NCCCCO 240690a_100000750430_100000701222 [0,2,0,0,0,0|1,0,1]=4 22485 B13R0.1170 CCC(C)CCC(=O)NCCCCO 527a_100000750430_100000701222 [0,2,0,0,0,0|1,0,1]=4 22486 B13R0.1170 CCC(C)CCC(C)OCCCCF 7a_200011216552_100000729493 [0,2,0,0,0,0|2,0,0]=4 22487 B13R0.1170 CCC(C)CCC(C)OCCCCO 7a_200011216552_100000210776 [0,2,0,0,0,0|1,0,0]=3 22488 B13R0.1170 CCC(C)CNC(=O)CCCCCO 240690a_100020588543_100102619762 [0,2,0,0,0,0|1,0,1]=4 22489 B13R0.1170 CCC(O)CCC(=O)NCCCCO 240690a_100000750430_203496584001 [0,2,0,0,0,0|1,0,1]=4 22490 B13R0.1170 CCC(O)CNC(=O)CCCCCO 240690a_100011218483_100102619762 [0,2,0,0,0,0|1,0,1]=4 22491 B13R0.1170 CCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210757 [0,2,0,0,0,0|1,0,1]=4 22492 B13R0.1170 CCCCCCC(=O)NCC(C)CO 240690a_100000744482_100102632555 [0,2,0,0,0,0|1,0,1]=4 22493 B13R0.1170 CCCCCCC(=O)NCC(C)CO 527a_100000744482_100102632555 [0,2,0,0,0,0|1,0,1]=4 22494 B13R0.1170 CCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100102632555 [0,2,0,0,0,0|1,0,1]=4 22495 B13R0.1170 CCCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100102632555 [0,2,0,0,0,0|1,0,1]=4 22496 B13R0.1170 CCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100102632555 [0,2,0,0,0,0|1,0,1]=4 22497 B13R0.1170 CCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100102632555 [0,2,0,0,0,0|1,0,1]=4 22498 B13R0.1170 CCCCCCC(C)NCC(C)CC 2230a_100000210919_100000748023 [0,2,0,0,0,0|2,0,0]=4 22499 B13R0.1170 CCCCCCC(C)NCC(C)CC 2230a_100020588543_100011215978 [0,2,0,0,0,0|2,0,0]=4 22500 B13R0.1170 CCCCCCC(C)NCC(C)CC 270004a_100000210919_100000243153 [0,2,0,0,0,0|2,0,0]=4 22501 B13R0.1170 CCCCCCC(C)NCC(C)CC 270004a_100020588543_100000210826 [0,2,0,0,0,0|2,0,0]=4 22502 B13R0.1170 CCCCCCC(C)NCC(C)CC 34a_100000210919_100000748023 [0,2,0,0,0,0|2,0,0]=4 22503 B13R0.1170 CCCCCCC(C)NCC(C)CO 34a_100000744482_100011215978 [0,2,0,0,0,0|1,0,0]=3 22504 B13R0.1170 CCCCCCC(C)NCC(O)CC 2230a_100000210919_100011218378 [0,2,0,0,0,0|2,0,0]=4 22505 B13R0.1170 CCCCCCC(C)NCC(O)CC 2230a_100011218483_100011215978 [0,2,0,0,0,0|2,0,0]=4 22506 B13R0.1170 CCCCCCC(C)NCC(O)CC 270004a_100011218483_100000210826 [0,2,0,0,0,0|2,0,0]=4 22507 B13R0.1170 CCCCCCC(C)NCC(O)CC 34a_100000210919_100011218378 [0,2,0,0,0,0|2,0,0]=4 22508 B13R0.1170 CCCCCCC(C)NCC(O)CO 2230a_100000210919_100011219619 [0,2,0,0,0,0|1,0,0]=3 22509 B13R0.1170 CCCCCCC(C)NCC(O)CO 34a_100000210919_100011219619 [0,2,0,0,0,0|1,0,0]=3 22510 B13R0.1170 CCCCCCC(C)NC[C@@H](C)CC 2230a_100000210919_100009816398 [0,2,0,0,0,0|2,0,0]=4 22511 B13R0.1170 CCCCCCC(C)NC[C@@H](C)CC 34a_100000210919_100009816398 [0,2,0,0,0,0|2,0,0]=4 22512 B13R0.1170 CCCCCCC(C)NC[C@@H](C)CO 2230a_100000210919_100000059175 [0,2,0,0,0,0|1,0,0]=3 22513 B13R0.1170 CCCCCCC(C)NC[C@@H](C)CO 34a_100000210919_100000059175 [0,2,0,0,0,0|1,0,0]=3 22514 B13R0.1170 CCCCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210826 [0,2,0,0,0,0|1,0,0]=3 22515 B13R0.1170 CCCCCCC(C)NC[C@@H](F)CO 34a_100015665980_100011215978 [0,2,0,0,0,0|1,0,0]=3 22516 B13R0.1170 CCCCCCC(C)NC[C@@H](O)CF 2230a_100000210919_100015614560 [0,2,0,0,0,0|2,0,0]=4 22517 B13R0.1170 CCCCCCC(C)NC[C@@H](O)CF 34a_100000210919_100015614560 [0,2,0,0,0,0|2,0,0]=4 22518 B13R0.1170 CCCCCCC(C)NC[C@@H](O)CO 2230a_100000210919_100009815848 [0,2,0,0,0,0|1,0,0]=3 22519 B13R0.1170 CCCCCCC(C)NC[C@@H](O)CO 34a_100000210919_100009815848 [0,2,0,0,0,0|1,0,0]=3 22520 B13R0.1170 CCCCCCC(C)NC[C@H](O)CO 2230a_100020644852_100011215978 [0,2,0,0,0,0|1,0,0]=3 22521 B13R0.1170 CCCCCCC(C)OCC(C)CC 34a_100000210265_100000748023 [0,2,0,0,0,0|2,0,0]=4 22522 B13R0.1170 CCCCCCC(C)OCC(C)CC 7a_100000210265_100000748023 [0,2,0,0,0,0|2,0,0]=4 22523 B13R0.1170 CCCCCCC(C)OCC(C)CN 34a_100000744482_100011215978 [0,2,0,0,0,0|2,0,0]=4 22524 B13R0.1170 CCCCCCC(C)OCC(Cl)CCl 34a_100000033668_100011215978 [0,2,0,0,0,0|2,0,0]=4 22525 B13R0.1170 CCCCCCC(C)OCC(O)CC 34a_100000210265_100011218378 [0,2,0,0,0,0|2,0,0]=4 22526 B13R0.1170 CCCCCCC(C)OCC(O)CC 7a_100000210265_100011218378 [0,2,0,0,0,0|2,0,0]=4 22527 B13R0.1170 CCCCCCC(C)OCC(O)CO 34a_100000210265_100011219619 [0,2,0,0,0,0|1,0,0]=3 22528 B13R0.1170 CCCCCCC(C)OCC(O)CO 7a_100000210265_100011219619 [0,2,0,0,0,0|1,0,0]=3 22529 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 34a_100000210265_100009816398 [0,2,0,0,0,0|2,0,0]=4 22530 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 7a_100000210265_100009816398 [0,2,0,0,0,0|2,0,0]=4 22531 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 7a_100009816381_100011215978 [0,2,0,0,0,0|2,0,0]=4 22532 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CO 34a_100000210265_100000059175 [0,2,0,0,0,0|1,0,0]=3 22533 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CO 7a_100000210265_100000059175 [0,2,0,0,0,0|1,0,0]=3 22534 B13R0.1170 CCCCCCC(C)OC[C@@H](O)CF 34a_100000210265_100015614560 [0,2,0,0,0,0|2,0,0]=4 22535 B13R0.1170 CCCCCCC(C)OC[C@@H](O)CF 7a_100000210265_100015614560 [0,2,0,0,0,0|2,0,0]=4 22536 B13R0.1170 CCCCCCC(C)OC[C@@H](O)CO 34a_100000210265_100009815848 [0,2,0,0,0,0|1,0,0]=3 22537 B13R0.1170 CCCCCCC(C)OC[C@@H](O)CO 7a_100000210265_100009815848 [0,2,0,0,0,0|1,0,0]=3 22538 B13R0.1170 CCCCCCC(C)OC[C@H](F)CN 34a_100015665980_100011215978 [0,2,0,0,0,0|2,0,0]=4 22539 B13R0.1170 CCCCCCC(C)SCC(C)CC 62a_100000748023_100011215978 [0,2,0,0,0,0|2,0,0]=4 22540 B13R0.1170 CCCCCCC(C)SCC(C)CC 62a_100011215978_100000748023 [0,2,0,0,0,0|2,0,0]=4 22541 B13R0.1170 CCCCCCC(C)SCC(O)CC 62a_100011215978_100011218378 [0,2,0,0,0,0|2,0,0]=4 22542 B13R0.1170 CCCCCCC(C)SCC(O)CC 62a_100011218378_100011215978 [0,2,0,0,0,0|2,0,0]=4 22543 B13R0.1170 CCCCCCC(C)SCC(O)CO 62a_100011215978_100011219619 [0,2,0,0,0,0|1,0,0]=3 22544 B13R0.1170 CCCCCCC(C)SCC(O)CO 62a_100011219619_100011215978 [0,2,0,0,0,0|1,0,0]=3 22545 B13R0.1170 CCCCCCC(C)SC[C@@H](C)CC 62a_100009816398_100011215978 [0,2,0,0,0,0|2,0,0]=4 22546 B13R0.1170 CCCCCCC(C)SC[C@@H](C)CC 62a_100011215978_100009816398 [0,2,0,0,0,0|2,0,0]=4 22547 B13R0.1170 CCCCCCC(C)SC[C@@H](C)CO 62a_100000059175_100011215978 [0,2,0,0,0,0|1,0,0]=3 22548 B13R0.1170 CCCCCCC(C)SC[C@@H](C)CO 62a_100011215978_100000059175 [0,2,0,0,0,0|1,0,0]=3 22549 B13R0.1170 CCCCCCC(C)SC[C@@H](O)CF 62a_100011215978_100015614560 [0,2,0,0,0,0|2,0,0]=4 22550 B13R0.1170 CCCCCCC(C)SC[C@@H](O)CF 62a_100015614560_100011215978 [0,2,0,0,0,0|2,0,0]=4 22551 B13R0.1170 CCCCCCC(C)SC[C@@H](O)CO 62a_100009815848_100011215978 [0,2,0,0,0,0|1,0,0]=3 22552 B13R0.1170 CCCCCCC(C)SC[C@@H](O)CO 62a_100011215978_100009815848 [0,2,0,0,0,0|1,0,0]=3 22553 B13R0.1170 CCCCCOC(C)CCC(C)CC 7a_200011216552_100000210326 [0,2,0,0,0,0|2,0,0]=4 22554 B13R0.1170 CCCCOCC(C)OCC(O)CO 34a_100011217071_100011219619 [0,2,0,0,0,0|2,0,0]=4 22555 B13R0.1170 CCCCOCC(C)OCC(O)CO 7a_100011217071_100011219619 [0,2,0,0,0,0|2,0,0]=4 22556 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CO 34a_100011217071_100000059175 [0,2,0,0,0,0|2,0,0]=4 22557 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CO 7a_100011217071_100000059175 [0,2,0,0,0,0|2,0,0]=4 22558 B13R0.1170 CCCCOCC(C)OC[C@@H](O)CO 34a_100011217071_100009815848 [0,2,0,0,0,0|2,0,0]=4 22559 B13R0.1170 CCCCOCC(C)OC[C@@H](O)CO 7a_100011217071_100009815848 [0,2,0,0,0,0|2,0,0]=4 22560 B13R0.1170 CCN(C)CCC(=O)CCCCCO 1458a_100000755305_100000746330 [0,2,0,0,0,0|1,0,1]=4 22561 B13R0.1170 CCS(=O)CCC(=O)CCCCCO 1458a_100011387550_100000746330 [0,2,0,0,0,0|1,0,1]=4 22562 B13R0.1171 CCCCC(=O)N(C)CCCCCO 240690a_100000722520_100000210183 [0,2,0,0,0,0|1,0,1]=4 22563 B13R0.1171 CCCCC(C)C(=O)CCCCCF 1458a_100000725509_100000729378 [0,2,0,0,0,0|1,0,1]=4 22564 B13R0.1171 CCCCC(C)C(=O)CCCCCO 1458a_100000725509_100000746330 [0,2,0,0,0,0|0,0,1]=3 22565 B13R0.1171 CCCCC(C)C(=O)CCCCCO 1458a_100102619762_200011215066 [0,2,0,0,0,0|0,0,1]=3 22566 B13R0.1171 CCCCC(C)C(=O)CCOCCO 1458a_100000725509_100011215305 [0,2,0,0,0,0|1,0,1]=4 22567 B13R0.1171 CCCCC(C)C(=O)CCOCCO 1458a_100011229844_200011215066 [0,2,0,0,0,0|1,0,1]=4 22568 B13R0.1171 CCCCC(C)C(=O)NCCCCO 240690a_100000750430_100000725509 [0,2,0,0,0,0|1,0,1]=4 22569 B13R0.1171 CCCCC(C)C(=O)NCCCCO 527a_100000750430_100000725509 [0,2,0,0,0,0|1,0,1]=4 22570 B13R0.1171 CCCCC(C)N(C)CCCCCO 2230a_100000722520_200011215066 [0,2,0,0,0,0|1,0,0]=3 22571 B13R0.1171 CCCCC(C)N(C)CCCCCO 269982a_100000722520_200011215066 [0,2,0,0,0,0|1,0,0]=3 22572 B13R0.1171 CCCCC(C)N(C)CCCCCO 270004a_100000722520_100000210087 [0,2,0,0,0,0|1,0,0]=3 22573 B13R0.1171 CCCCC(C)N(C)CCOCCO 2230a_100000228057_200011215066 [0,2,0,0,0,0|2,0,0]=4 22574 B13R0.1171 CCCCC(C)N(C)CCOCCO 269982a_100000228057_200011215066 [0,2,0,0,0,0|2,0,0]=4 22575 B13R0.1171 CCCCC(C)N(C)CCOCCO 270004a_100000228057_100000210087 [0,2,0,0,0,0|2,0,0]=4 22576 B13R0.1171 CCCCC(O)C(=O)CCCCCF 1458a_100000720857_100000729378 [0,2,0,0,0,0|1,0,1]=4 22577 B13R0.1171 CCCCC(O)C(=O)CCCCCO 1458a_100000720857_100000746330 [0,2,0,0,0,0|0,0,1]=3 22578 B13R0.1171 CCCCC(O)C(=O)CCOCCO 1458a_100000720857_100011215305 [0,2,0,0,0,0|1,0,1]=4 22579 B13R0.1171 CCCCC(O)C(=O)NCCCCO 240690a_100000750430_100000720857 [0,2,0,0,0,0|1,0,1]=4 22580 B13R0.1171 CCCCC(O)C(=O)NCCCCO 527a_100000750430_100000720857 [0,2,0,0,0,0|1,0,1]=4 22581 B13R0.1171 CCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210757 [0,2,0,0,0,0|1,0,1]=4 22582 B13R0.1171 CCCCCCC(=O)C(C)CCCC 1458a_100102632555_200011215066 [0,2,0,0,0,0|1,0,1]=4 22583 B13R0.1171 CCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210757 [0,2,0,0,0,0|1,0,1]=4 22584 B13R0.1171 CCCCCCC(=O)N(C)CCCO 240690a_100000213112_100102632555 [0,2,0,0,0,0|1,0,1]=4 22585 B13R0.1171 CCCCCCC(=O)N(C)CCCO 527a_100000213112_100102632555 [0,2,0,0,0,0|1,0,1]=4 22586 B13R0.1171 CCCCCCC(C)C(=O)CCCC 1458a_100000210183_100011215978 [0,2,0,0,0,0|1,0,1]=4 22587 B13R0.1171 CCCCCCC(C)N(C)CCCC 2230a_100000207549_100011215978 [0,2,0,0,0,0|2,0,0]=4 22588 B13R0.1171 CCCCCCC(C)N(C)CCCC 269982a_100000207549_100011215978 [0,2,0,0,0,0|2,0,0]=4 22589 B13R0.1171 CCCCCCC(C)N(C)CCCC 270004a_100000207549_100000210826 [0,2,0,0,0,0|2,0,0]=4 22590 B13R0.1171 CCCCCCC(C)N(C)CCCO 2230a_100000213112_100011215978 [0,2,0,0,0,0|1,0,0]=3 22591 B13R0.1171 CCCCCCC(C)N(C)CCCO 269982a_100000213112_100011215978 [0,2,0,0,0,0|1,0,0]=3 22592 B13R0.1171 CCCCCCC(C)N(C)CCCO 270004a_100000213112_100000210826 [0,2,0,0,0,0|1,0,0]=3 22593 B13R0.1171 CCCCCCC(O)C(=O)CCCC 1458a_100011215828_100000210211 [0,2,0,0,0,0|1,0,1]=4 22594 B13R0.1171 CCCCCCC(O)C(=O)CCCF 1458a_100011215828_100011934791 [0,2,0,0,0,0|1,0,1]=4 22595 B13R0.1171 CCCCCCC(O)C(=O)CCCO 1458a_100011215828_100011215043 [0,2,0,0,0,0|0,0,1]=3 22596 B13R0.1171 CCCCCCC(O)C(=O)NCCO 240690a_100000210304_100011215828 [0,2,0,0,0,0|1,0,1]=4 22597 B13R0.1171 CCCCCCN(C)C(C)CCCC 2230a_106256046315_200011215066 [0,2,0,0,0,0|2,0,0]=4 22598 B13R0.1171 CCCCCCN(C)C(C)CCCC 269982a_106256046315_200011215066 [0,2,0,0,0,0|2,0,0]=4 22599 B13R0.1171 CCCCCCN(C)C(C)CCCC 270004a_106256046315_100000210087 [0,2,0,0,0,0|2,0,0]=4 22600 B13R0.1171 CCCCN(C)C(=O)CCCCCO 240690a_100000207549_100102619762 [0,2,0,0,0,0|1,0,1]=4 22601 B13R0.1171 CCSCC(C)N(C)CCCCCO 270004a_100000722520_200011216171 [0,2,0,0,0,0|2,0,0]=4 22602 B13R0.1171 COCCC(C)N(C)CCCCCO 270004a_100000722520_100000742357 [0,2,0,0,0,0|2,0,0]=4 22603 B13R0.1171 CSCCC(C)N(C)CCCCCO 270004a_100000722520_100011217047 [0,2,0,0,0,0|2,0,0]=4 22604 B13R0.1171 CSCCC(O)C(=O)CCCCCO 1458a_100000685904_100000746330 [0,2,0,0,0,0|1,0,1]=4 22605 B13R0.113 CCCCC(C)OCCCC(C)CC 7a_100011216074_200011215066 [0,2,0,0,0,0|2,0,0]=4 22606 B13R0.113 CCCCC(C)OCCC[C@@H](C)CN 34a_100160569302_200011215066 [0,2,0,0,0,0|2,0,0]=4 22607 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [0,2,0,0,0,0|1,0,1]=4 22608 B13R0.119 CC(C)CCCCCC(=O)CCCF 1458a_100000766313_100011934791 [0,2,0,0,0,0|1,0,1]=4 22609 B13R0.119 CC(C)CCCCCC(=O)CCCO 1458a_100000766313_100011215043 [0,2,0,0,0,0|0,0,1]=3 22610 B13R0.119 CC(C)CCCCCC(=O)NCCO 240690a_100000210304_100000766313 [0,2,0,0,0,0|1,0,1]=4 22611 B13R0.119 CC(C)CCCCCC(=O)NCCO 527a_100000210304_100000766313 [0,2,0,0,0,0|1,0,1]=4 22612 B13R0.119 CC(C)CCCCCN(C)CCCO 2230a_100000213112_100000210682 [0,2,0,0,0,0|1,0,0]=3 22613 B13R0.119 CC(C)CCCCCN(C)CCCO 269982a_100000213112_100000210682 [0,2,0,0,0,0|1,0,0]=3 22614 B13R0.119 CC(C)CCCCOC(C)CCCCl 34a_200000718107_100011216152 [0,2,0,0,0,0|2,0,0]=4 22615 B13R0.119 CC(C)CCCCOC(C)CCCCl 7a_200000718107_100011216152 [0,2,0,0,0,0|2,0,0]=4 22616 B13R0.119 CC(C)CCCNC[C@H](C)CCCO 2230a_100160569302_100011214892 [0,2,0,0,0,0|1,0,0]=3 22617 B13R0.119 CC(C)CCCNC[C@H](C)CCCO 34a_100160569302_100011214892 [0,2,0,0,0,0|1,0,0]=3 22618 B13R0.119 CC(C)OCCNC[C@H](C)CCCO 2230a_100160569302_100000211751 [0,2,0,0,0,0|2,0,0]=4 22619 B13R0.119 CC(C)OCCNC[C@H](C)CCCO 34a_100160569302_100000211751 [0,2,0,0,0,0|2,0,0]=4 22620 B13R0.119 CC(C)SCCNC[C@H](C)CCCO 2230a_100160569302_100000730970 [0,2,0,0,0,0|2,0,0]=4 22621 B13R0.119 CC(C)SCCNC[C@H](C)CCCO 34a_100160569302_100000730970 [0,2,0,0,0,0|2,0,0]=4 22622 B13R0.119 CC(O)CCCNC[C@H](C)CCCO 2230a_100160569302_200000718107 [0,2,0,0,0,0|1,0,0]=3 22623 B13R0.119 CC(O)CCCNC[C@H](C)CCCO 34a_100160569302_200000718107 [0,2,0,0,0,0|1,0,0]=3 22624 B13R0.119 CCCCC(=O)CCCCCB(O)O 1458a_100000210183_200009817188 [0,2,0,0,0,0|1,0,1]=4 22625 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000210183_100000210682 [0,2,0,0,0,0|1,0,1]=4 22626 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210211 [0,2,0,0,0,0|1,0,1]=4 22627 B13R0.119 CCCCC(C)CCCCOC(C)C 34a_200011021034_100000210206 [0,2,0,0,0,0|2,0,0]=4 22628 B13R0.119 CCCCC(C)CCCCOC(C)C 7a_200011021034_100000210206 [0,2,0,0,0,0|2,0,0]=4 22629 B13R0.119 CCCCC(C)COCCCC(C)C 34a_100011995851_100011214892 [0,2,0,0,0,0|2,0,0]=4 22630 B13R0.119 CCCCC(C)COCCCC(C)C 7a_100011995851_100011214892 [0,2,0,0,0,0|2,0,0]=4 22631 B13R0.119 CCCCC(C)COCCCC(C)O 34a_100011995851_200000718107 [0,2,0,0,0,0|1,0,0]=3 22632 B13R0.119 CCCCC(C)COCCCC(C)O 7a_100011995851_200000718107 [0,2,0,0,0,0|1,0,0]=3 22633 B13R0.119 CCCCC(C)NCCCCB(O)O 2230a_100000126638_200009817182 [0,2,0,0,0,0|2,0,0]=4 22634 B13R0.119 CCCCC(C)NCCCCC(C)C 2230a_100000126638_100011216152 [0,2,0,0,0,0|2,0,0]=4 22635 B13R0.119 CCCCC(C)OCCCCB(O)O 34a_100000687866_200009817182 [0,2,0,0,0,0|2,0,0]=4 22636 B13R0.119 CCCCC(C)OCCCCB(O)O 7a_100000687866_200009817182 [0,2,0,0,0,0|2,0,0]=4 22637 B13R0.119 CCCCC(C)OCCCCC(C)C 34a_100000687866_100011216152 [0,2,0,0,0,0|2,0,0]=4 22638 B13R0.119 CCCCC(C)OCCCCC(C)C 34a_100011214890_200011215066 [0,2,0,0,0,0|2,0,0]=4 22639 B13R0.119 CCCCC(C)OCCCCC(C)C 7a_100000687866_100011216152 [0,2,0,0,0,0|2,0,0]=4 22640 B13R0.119 CCCCC(C)OCCCCC(C)C 7a_100011214890_200011215066 [0,2,0,0,0,0|2,0,0]=4 22641 B13R0.119 CCCCC(C)SCCCCB(O)O 62a_200009817182_200011215066 [0,2,0,0,0,0|2,0,0]=4 22642 B13R0.119 CCCCC(C)SCCCCB(O)O 62a_200011215066_200009817182 [0,2,0,0,0,0|2,0,0]=4 22643 B13R0.119 CCCCC(C)SCCCCC(C)C 62a_100011216152_200011215066 [0,2,0,0,0,0|2,0,0]=4 22644 B13R0.119 CCCCC(C)SCCCCC(C)C 62a_200011215066_100011216152 [0,2,0,0,0,0|2,0,0]=4 22645 B13R0.119 CCCCN(C)CCCCCB(O)O 2230a_100000207549_200009817188 [0,2,0,0,0,0|2,0,0]=4 22646 B13R0.119 CCCCN(C)CCCCCB(O)O 269982a_100000207549_200009817188 [0,2,0,0,0,0|2,0,0]=4 22647 B13R0.119 CCCCN(C)CCCCCC(C)C 2230a_100000207549_100000210682 [0,2,0,0,0,0|2,0,0]=4 22648 B13R0.119 CCCCN(C)CCCCCC(C)C 269982a_100000207549_100000210682 [0,2,0,0,0,0|2,0,0]=4 22649 B13R0.119 CCCC[C@H](N)COCCCC(C)C 34a_100011934283_100011214892 [0,2,0,0,0,0|2,0,0]=4 22650 B13R0.119 CCCC[C@H](N)COCCCC(C)O 34a_100011934283_200000718107 [0,2,0,0,0,0|1,0,0]=3 22651 B13R0.119 CCCOC(C)CNCCCC(C)O 2230a_100015185124_200000718107 [0,2,0,0,0,0|2,0,0]=4 22652 B13R0.119 CCCOC(C)CNCCCC(C)O 34a_100015185124_200000718107 [0,2,0,0,0,0|2,0,0]=4 22653 B13R0.119 CCOCC(O)CNCCCC(C)O 2230a_102515437182_200000718107 [0,2,0,0,0,0|2,0,0]=4 22654 B13R0.119 CCOCC(O)CNCCCC(C)O 34a_102515437182_200000718107 [0,2,0,0,0,0|2,0,0]=4 22655 B13R0.119 CSCC[C@H](N)COCCCC(C)O 34a_100011827619_200000718107 [0,2,0,0,0,0|2,0,0]=4 22656 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_100011996774_100000730704 [0,2,0,0,0,0|0,0,2]=4 22657 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_200000688413_100000766143 [0,2,0,0,0,0|0,0,2]=4 22658 B13R0.154 C=C(C)CCC(C)NCCCCCO 270004a_100000762737_100011215600 [0,2,0,0,0,0|1,0,1]=4 22659 B13R0.154 CC(C)CCC(=O)CCCCCCF 1458a_100000181311_100015922095 [0,2,0,0,0,0|1,0,1]=4 22660 B13R0.154 CC(C)CCC(=O)CCCCCCO 1458a_100000181311_100000766143 [0,2,0,0,0,0|0,0,1]=3 22661 B13R0.154 CC(C)CCC(=O)CCCCCCO 1458a_100011996774_100000210312 [0,2,0,0,0,0|0,0,1]=3 22662 B13R0.154 CC(C)CCC(=O)NCCCCCO 240690a_100000762737_100000181311 [0,2,0,0,0,0|1,0,1]=4 22663 B13R0.154 CC(C)CCC(C)NCCCCCF 2230a_100138410893_100000729378 [0,2,0,0,0,0|2,0,0]=4 22664 B13R0.154 CC(C)CCC(C)NCCCCCO 2230a_100000762737_100011261404 [0,2,0,0,0,0|1,0,0]=3 22665 B13R0.154 CC(C)CCC(C)NCCCCCO 2230a_100138410893_100000746330 [0,2,0,0,0,0|1,0,0]=3 22666 B13R0.154 CC(C)CCC(C)NCCCCCO 270004a_100000762737_100000210476 [0,2,0,0,0,0|1,0,0]=3 22667 B13R0.154 CC(C)CCC(C)NCCCCCO 34a_100000762737_100011261404 [0,2,0,0,0,0|1,0,0]=3 22668 B13R0.154 CC(C)CCC(C)NCCOCCO 2230a_100000211614_100011261404 [0,2,0,0,0,0|2,0,0]=4 22669 B13R0.154 CC(C)CCC(C)NCCOCCO 2230a_100138410893_100011215305 [0,2,0,0,0,0|2,0,0]=4 22670 B13R0.154 CC(C)CCC(C)NCCOCCO 270004a_100000211614_100000210476 [0,2,0,0,0,0|2,0,0]=4 22671 B13R0.154 CC(C)CCC(C)NCCOCCO 34a_100000211614_100011261404 [0,2,0,0,0,0|2,0,0]=4 22672 B13R0.154 CC(C)CCC(C)NCCSCCO 2230a_100011219999_100011261404 [0,2,0,0,0,0|2,0,0]=4 22673 B13R0.154 CC(C)CCC(C)NCCSCCO 270004a_100011219999_100000210476 [0,2,0,0,0,0|2,0,0]=4 22674 B13R0.154 CC(C)CCC(C)OCCCCCBr 34a_100000746331_100011261404 [0,2,0,0,0,0|2,0,0]=4 22675 B13R0.154 CC(C)CCC(C)OCCCCCCl 34a_100000746330_100011261404 [0,2,0,0,0,0|2,0,0]=4 22676 B13R0.154 CC(C)CCC(C)OCCCCCF 34a_100011215350_100000729378 [0,2,0,0,0,0|2,0,0]=4 22677 B13R0.154 CC(C)CCC(C)OCCCCCF 7a_100011215350_100000729378 [0,2,0,0,0,0|2,0,0]=4 22678 B13R0.154 CC(C)CCC(C)OCCCCCI 34a_200012148887_100011261404 [0,2,0,0,0,0|2,0,0]=4 22679 B13R0.154 CC(C)CCC(C)OCCCCCN 34a_100000762737_100011261404 [0,2,0,0,0,0|2,0,0]=4 22680 B13R0.154 CC(C)CCC(C)OCCCCCO 34a_100011215350_100000746330 [0,2,0,0,0,0|1,0,0]=3 22681 B13R0.154 CC(C)CCC(C)OCCCCCO 7a_100011215350_100000746330 [0,2,0,0,0,0|1,0,0]=3 22682 B13R0.154 CC(C)CCC(C)OCCOCCO 34a_100011215350_100000692535 [0,2,0,0,0,0|2,0,0]=4 22683 B13R0.154 CC(C)CCC(C)OCCOCCO 7a_100011215350_100011215305 [0,2,0,0,0,0|2,0,0]=4 22684 B13R0.154 CC(C)CCC(C)SCCCCCF 62a_100000729378_100011261404 [0,2,0,0,0,0|2,0,0]=4 22685 B13R0.154 CC(C)CCC(C)SCCCCCF 62a_100011261404_100000729378 [0,2,0,0,0,0|2,0,0]=4 22686 B13R0.154 CC(C)CCC(C)SCCCCCO 62a_100000746330_100011261404 [0,2,0,0,0,0|1,0,0]=3 22687 B13R0.154 CC(C)CCC(C)SCCCCCO 62a_100011261404_100000746330 [0,2,0,0,0,0|1,0,0]=3 22688 B13R0.154 CC(C)CCC(C)SCCOCCO 62a_100011215305_100011261404 [0,2,0,0,0,0|2,0,0]=4 22689 B13R0.154 CC(C)CCC(C)SCCOCCO 62a_100011261404_100011215305 [0,2,0,0,0,0|2,0,0]=4 22690 B13R0.154 CC(C)CCN(C)CCCCCCF 2230a_100000742789_100015922095 [0,2,0,0,0,0|2,0,0]=4 22691 B13R0.154 CC(C)CCN(C)CCCCCCF 269982a_100000742789_100015922095 [0,2,0,0,0,0|2,0,0]=4 22692 B13R0.154 CC(C)CCN(C)CCCCCCO 2230a_100000742789_100000766143 [0,2,0,0,0,0|1,0,0]=3 22693 B13R0.154 CC(C)CCN(C)CCCCCCO 269982a_100000742789_100000766143 [0,2,0,0,0,0|1,0,0]=3 22694 B13R0.154 CC(C)CNC(=O)CCCCCCO 240690a_100000210953_100011996774 [0,2,0,0,0,0|1,0,1]=4 22695 B13R0.154 CC(C)OCC(=O)CCCCCCO 1458a_100000745533_100000766143 [0,2,0,0,0,0|1,0,1]=4 22696 B13R0.154 CC(C)SCC(=O)CCCCCCO 1458a_100000241585_100000766143 [0,2,0,0,0,0|1,0,1]=4 22697 B13R0.154 CC(O)CCC(=O)CCCCCCO 1458a_100011996774_100012276601 [0,2,0,0,0,0|0,0,1]=3 22698 B13R0.154 CC(O)CNC(=O)CCCCCCO 240690a_100000210904_100011996774 [0,2,0,0,0,0|1,0,1]=4 22699 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210614 [0,2,0,0,0,0|1,0,1]=4 22700 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000211969_100000210312 [0,2,0,0,0,0|1,0,1]=4 22701 B13R0.154 CCCCCCCC(=O)CCC(C)O 1458a_100000211969_100012276601 [0,2,0,0,0,0|0,0,1]=3 22702 B13R0.154 CCCCCCCC(=O)NCC(C)O 11a_100000210904_100000211969 [0,2,0,0,0,0|1,0,1]=4 22703 B13R0.154 CCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000211969 [0,2,0,0,0,0|1,0,1]=4 22704 B13R0.154 CCCCCCCC(=O)NCC(C)O 527a_100000210904_100000211969 [0,2,0,0,0,0|1,0,1]=4 22705 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|1,0,1]=4 22706 B13R0.154 CCCCCCCC(C)NCC(C)C 2230a_100000210953_200011218727 [0,2,0,0,0,0|2,0,0]=4 22707 B13R0.154 CCCCCCCC(C)NCC(C)C 270004a_100000210953_100000210596 [0,2,0,0,0,0|2,0,0]=4 22708 B13R0.154 CCCCCCCC(C)NCC(C)C 34a_100000210953_200011218727 [0,2,0,0,0,0|2,0,0]=4 22709 B13R0.154 CCCCCCCC(C)NCC(C)O 2230a_100000210904_200011218727 [0,2,0,0,0,0|1,0,0]=3 22710 B13R0.154 CCCCCCCC(C)NCC(C)O 270004a_100000210904_100000210596 [0,2,0,0,0,0|1,0,0]=3 22711 B13R0.154 CCCCCCCC(C)NCC(C)O 34a_100000210904_200011218727 [0,2,0,0,0,0|1,0,0]=3 22712 B13R0.154 CCCCCCCC(C)NCC(F)F 270004a_100000765723_100000210596 [0,2,0,0,0,0|2,0,0]=4 22713 B13R0.154 CCCCCCCC(C)NCC(F)F 34a_100000765723_200011218727 [0,2,0,0,0,0|2,0,0]=4 22714 B13R0.154 CCCCCCCC(C)OCC(C)Br 34a_100012180447_200011218727 [0,2,0,0,0,0|2,0,0]=4 22715 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_100000210257_200011218727 [0,2,0,0,0,0|2,0,0]=4 22716 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_200011215852_100000210624 [0,2,0,0,0,0|2,0,0]=4 22717 B13R0.154 CCCCCCCC(C)OCC(C)C 7a_200011215852_100000210760 [0,2,0,0,0,0|2,0,0]=4 22718 B13R0.154 CCCCCCCC(C)OCC(C)F 34a_100015925927_200011218727 [0,2,0,0,0,0|2,0,0]=4 22719 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,2,0,0,0,0|1,0,0]=3 22720 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,2,0,0,0,0|1,0,0]=3 22721 B13R0.154 CCCCCCCC(C)OCC(F)F 34a_100000743014_200011218727 [0,2,0,0,0,0|2,0,0]=4 22722 B13R0.154 CCCCCCCC(C)OCC(F)F 34a_200011215852_100011934356 [0,2,0,0,0,0|2,0,0]=4 22723 B13R0.154 CCCCCCCC(C)OCC(F)F 7a_200011215852_100011934356 [0,2,0,0,0,0|2,0,0]=4 22724 B13R0.154 CCCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218727 [0,2,0,0,0,0|2,0,0]=4 22725 B13R0.154 CCCCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218727 [0,2,0,0,0,0|2,0,0]=4 22726 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,2,0,0,0,0|1,0,0]=3 22727 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,2,0,0,0,0|1,0,0]=3 22728 B13R0.154 CCCCCCCC(C)SCC(C)C 62a_100000210624_200011218727 [0,2,0,0,0,0|2,0,0]=4 22729 B13R0.154 CCCCCCCC(C)SCC(C)C 62a_200011218727_100000210760 [0,2,0,0,0,0|2,0,0]=4 22730 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_100011218427_200011218727 [0,2,0,0,0,0|1,0,0]=3 22731 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_200011218727_100011218427 [0,2,0,0,0,0|1,0,0]=3 22732 B13R0.154 CCCCCCCC(C)SCC(F)F 62a_100011934356_200011218727 [0,2,0,0,0,0|2,0,0]=4 22733 B13R0.154 CCCCCCCC(C)SCC(F)F 62a_200011218727_100011934356 [0,2,0,0,0,0|2,0,0]=4 22734 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218727 [0,2,0,0,0,0|1,0,0]=3 22735 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_200011218727_100009817552 [0,2,0,0,0,0|1,0,0]=3 22736 B13R0.154 CCCCCCCN(C)CCC(C)C 2230a_100000228206_100000210312 [0,2,0,0,0,0|2,0,0]=4 22737 B13R0.154 CCCCCCCN(C)CCC(C)C 2230a_100000742789_100000210681 [0,2,0,0,0,0|2,0,0]=4 22738 B13R0.154 CCCCCCCN(C)CCC(C)C 269982a_100000228206_100000210312 [0,2,0,0,0,0|2,0,0]=4 22739 B13R0.154 CCCCCCCN(C)CCC(C)C 269982a_100000742789_100000210681 [0,2,0,0,0,0|2,0,0]=4 22740 B13R0.154 CCCCCCCN(C)CCC(C)O 2230a_100000228206_100012276601 [0,2,0,0,0,0|1,0,0]=3 22741 B13R0.154 CCCCCCCN(C)CCC(C)O 269982a_100000228206_100012276601 [0,2,0,0,0,0|1,0,0]=3 22742 B13R0.154 CCCCCCNC(=O)CCC(C)O 1626a_100000210581_100000718519 [0,2,0,0,0,0|1,0,1]=4 22743 B13R0.154 CCCCCCNC(C)CCC(C)C 2230a_100000210581_100011261404 [0,2,0,0,0,0|2,0,0]=4 22744 B13R0.154 CCCCCCNC(C)CCC(C)C 2230a_100138410893_100000210314 [0,2,0,0,0,0|2,0,0]=4 22745 B13R0.154 CCCCCCNC(C)CCC(C)C 270004a_100000210581_100000210476 [0,2,0,0,0,0|2,0,0]=4 22746 B13R0.154 CCCCCCOC(C)CCC(C)C 34a_100000210259_100011261404 [0,2,0,0,0,0|2,0,0]=4 22747 B13R0.154 CCCCCCOC(C)CCC(C)C 34a_100011215350_100000210314 [0,2,0,0,0,0|2,0,0]=4 22748 B13R0.154 CCCCCCOC(C)CCC(C)C 7a_100011215350_100000210314 [0,2,0,0,0,0|2,0,0]=4 22749 B13R0.154 CCCCCCSC(C)CCC(C)C 62a_100000210314_100011261404 [0,2,0,0,0,0|2,0,0]=4 22750 B13R0.154 CCCCCCSC(C)CCC(C)C 62a_100011261404_100000210757 [0,2,0,0,0,0|2,0,0]=4 22751 B13R0.154 CN(C)CCN(C)CCCCCCO 269982a_100000225618_100000766143 [0,2,0,0,0,0|2,0,0]=4 22752 B13R0.154 COCCCCCC(=O)CCC(C)O 1458a_100011935119_100012276601 [0,2,0,0,0,0|1,0,1]=4 22753 B13R0.154 C[S+](C)CCC(=O)CCCCCCO 1458a_100009452791_100000766143 [0,2,0,0,0,0|1,0,1]=4 22754 B13R0.176 CCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000210211 [0,2,0,0,0,0|1,0,1]=4 22755 B13R0.176 CCCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210183 [0,2,0,0,0,0|1,0,1]=4 22756 B13R0.176 CCCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210183 [0,2,0,0,0,0|1,0,1]=4 22757 B13R0.176 CCCCC(C)CCC(=O)CCCF 1458a_100000033779_100011934791 [0,2,0,0,0,0|1,0,1]=4 22758 B13R0.176 CCCCC(C)CCC(=O)CCCO 1458a_100000033779_100011215043 [0,2,0,0,0,0|0,0,1]=3 22759 B13R0.176 CCCCC(C)CCC(=O)NCCO 240690a_100000210304_100000033779 [0,2,0,0,0,0|1,0,1]=4 22760 B13R0.176 CCCCC(C)CCC(=O)NCCO 527a_100000210304_100000033779 [0,2,0,0,0,0|1,0,1]=4 22761 B13R0.176 CCCCC(C)COC(C)CCCC 34a_100011995851_200011215066 [0,2,0,0,0,0|2,0,0]=4 22762 B13R0.176 CCCCC(C)COC(C)CCCC 7a_100011995851_200011215066 [0,2,0,0,0,0|2,0,0]=4 22763 B13R0.176 CCCCC(C)NC[C@H](C)CCCO 2230a_100160569302_200011215066 [0,2,0,0,0,0|1,0,0]=3 22764 B13R0.176 CCCCC(C)NC[C@H](C)CCCO 270004a_100160569302_100000210087 [0,2,0,0,0,0|1,0,0]=3 22765 B13R0.176 CCCCC(C)NC[C@H](C)CCCO 34a_100160569302_200011215066 [0,2,0,0,0,0|1,0,0]=3 22766 B13R0.176 CCCCC(C)OC[C@@H](N)CCCC 34a_100011934283_200011215066 [0,2,0,0,0,0|2,0,0]=4 22767 B13R0.176 CCSCC(C)NC[C@H](C)CCCO 270004a_100160569302_200011216171 [0,2,0,0,0,0|2,0,0]=4 22768 B13R0.176 COCCC(C)NC[C@H](C)CCCO 270004a_100160569302_100000742357 [0,2,0,0,0,0|2,0,0]=4 22769 B13R0.176 CSCCC(C)NC[C@H](C)CCCO 270004a_100160569302_100011217047 [0,2,0,0,0,0|2,0,0]=4 22770 B13R0.272 C#CC(CCCC)OCCCCCC 34a_200011217967_100000210314 [0,2,0,0,0,0|2,0,0]=4 22771 B13R0.272 C#CC(CCCC)OCCCCCC 7a_200011217967_100000210314 [0,2,0,0,0,0|2,0,0]=4 22772 B13R0.272 C#CC(CCCC)OCCCCCF 34a_200011217967_100000729378 [0,2,0,0,0,0|2,0,0]=4 22773 B13R0.272 C#CC(CCCC)OCCCCCF 7a_200011217967_100000729378 [0,2,0,0,0,0|2,0,0]=4 22774 B13R0.272 C#CC(CCCC)OCCCCCO 34a_200011217967_100000746330 [0,2,0,0,0,0|1,0,0]=3 22775 B13R0.272 C#CC(CCCC)OCCCCCO 7a_200011217967_100000746330 [0,2,0,0,0,0|1,0,0]=3 22776 B13R0.272 C#CC(CCCC)OCCOCCO 34a_200011217967_100000692535 [0,2,0,0,0,0|2,0,0]=4 22777 B13R0.272 C#CC(CCCC)OCCOCCO 7a_200011217967_100011215305 [0,2,0,0,0,0|2,0,0]=4 22778 B13R0.272 C=CC(CCCC)OCCCCCC 34a_200011215037_100000210314 [0,2,0,0,0,0|2,0,0]=4 22779 B13R0.272 C=CC(CCCC)OCCCCCC 7a_200011215037_100000210314 [0,2,0,0,0,0|2,0,0]=4 22780 B13R0.272 C=CC(CCCC)OCCCCCF 34a_200011215037_100000729378 [0,2,0,0,0,0|2,0,0]=4 22781 B13R0.272 C=CC(CCCC)OCCCCCF 7a_200011215037_100000729378 [0,2,0,0,0,0|2,0,0]=4 22782 B13R0.272 C=CC(CCCC)OCCCCCO 34a_200011215037_100000746330 [0,2,0,0,0,0|1,0,0]=3 22783 B13R0.272 C=CC(CCCC)OCCCCCO 7a_200011215037_100000746330 [0,2,0,0,0,0|1,0,0]=3 22784 B13R0.272 C=CC(CCCC)OCCOCCO 34a_200011215037_100000692535 [0,2,0,0,0,0|2,0,0]=4 22785 B13R0.272 C=CC(CCCC)OCCOCCO 7a_200011215037_100011215305 [0,2,0,0,0,0|2,0,0]=4 22786 B13R0.272 C=CC(CCCCCCC)OCCC 34a_200011934235_100000210303 [0,2,0,0,0,0|2,0,0]=4 22787 B13R0.272 C=CC(CCCCCCC)OCCC 7a_200011934235_100000210303 [0,2,0,0,0,0|2,0,0]=4 22788 B13R0.272 C=CC(CCCCCCC)OCCF 34a_200011934235_100011217306 [0,2,0,0,0,0|2,0,0]=4 22789 B13R0.272 C=CC(CCCCCCC)OCCF 7a_200011934235_100011217306 [0,2,0,0,0,0|2,0,0]=4 22790 B13R0.272 C=CC(CCCCCCC)OCCO 34a_200011934235_100000211926 [0,2,0,0,0,0|1,0,0]=3 22791 B13R0.272 C=CC(CCCCCCC)OCCO 7a_200011934235_100000211926 [0,2,0,0,0,0|1,0,0]=3 22792 B13R0.272 CCCCC(CC)CCCCNCC 2230a_100015525214_200012094884 [0,2,0,0,0,0|2,0,0]=4 22793 B13R0.272 CCCCC(CC)CCCCOCC 34a_100121572206_200012094884 [0,2,0,0,0,0|2,0,0]=4 22794 B13R0.272 CCCCC(CC)CCCCSCC 62a_100000210202_200012094884 [0,2,0,0,0,0|2,0,0]=4 22795 B13R0.272 CCCCC(CC)CCCCSCC 62a_200012094884_100000210202 [0,2,0,0,0,0|2,0,0]=4 22796 B13R0.272 CCCCC(CC)CCCCSCF 62a_100015361967_200012094884 [0,2,0,0,0,0|2,0,0]=4 22797 B13R0.272 CCCCC(CC)CCCCSCF 62a_200012094884_100015361967 [0,2,0,0,0,0|2,0,0]=4 22798 B13R0.272 CCCCC(CC)CNCCCCF 2230a_100000209976_100000729493 [0,2,0,0,0,0|2,0,0]=4 22799 B13R0.272 CCCCC(CC)CNCCCCO 2230a_100000209976_100000210776 [0,2,0,0,0,0|1,0,0]=3 22800 B13R0.272 CCCCC(CC)CNCCCCO 2230a_100000750430_100000211942 [0,2,0,0,0,0|1,0,0]=3 22801 B13R0.272 CCCCC(CC)CNCCCCO 269862a_100000750430_100011219736 [0,2,0,0,0,0|1,0,0]=3 22802 B13R0.272 CCCCC(CC)CNCCCCO 270004a_100000750430_100011219736 [0,2,0,0,0,0|1,0,0]=3 22803 B13R0.272 CCCCC(CC)CNCCCCO 34a_100000750430_100000211942 [0,2,0,0,0,0|1,0,0]=3 22804 B13R0.272 CCCCC(CC)COCCCCBr 34a_100011216708_100000211942 [0,2,0,0,0,0|2,0,0]=4 22805 B13R0.272 CCCCC(CC)COCCCCCl 34a_100000210776_100000211942 [0,2,0,0,0,0|2,0,0]=4 22806 B13R0.272 CCCCC(CC)COCCCCCl 7a_100000210776_100000211942 [0,2,0,0,0,0|2,0,0]=4 22807 B13R0.272 CCCCC(CC)COCCCCF 34a_100000210273_100000729493 [0,2,0,0,0,0|2,0,0]=4 22808 B13R0.272 CCCCC(CC)COCCCCF 34a_100011995726_100000211942 [0,2,0,0,0,0|2,0,0]=4 22809 B13R0.272 CCCCC(CC)COCCCCF 7a_100000210273_100000729493 [0,2,0,0,0,0|2,0,0]=4 22810 B13R0.272 CCCCC(CC)COCCCCF 7a_100011995726_100000211942 [0,2,0,0,0,0|2,0,0]=4 22811 B13R0.272 CCCCC(CC)COCCCCI 34a_200012148704_100000211942 [0,2,0,0,0,0|2,0,0]=4 22812 B13R0.272 CCCCC(CC)COCCCCN 34a_100000750430_100000211942 [0,2,0,0,0,0|2,0,0]=4 22813 B13R0.272 CCCCC(CC)COCCCCO 34a_100000210273_100011216708 [0,2,0,0,0,0|1,0,0]=3 22814 B13R0.272 CCCCC(CC)COCCCCO 7a_100000210273_100000210776 [0,2,0,0,0,0|1,0,0]=3 22815 B13R0.272 CCCCC(CC)CSCCCCF 62a_100000211942_100000729493 [0,2,0,0,0,0|2,0,0]=4 22816 B13R0.272 CCCCC(CC)CSCCCCF 62a_100000729493_100000211942 [0,2,0,0,0,0|2,0,0]=4 22817 B13R0.272 CCCCC(CC)CSCCCCO 62a_100000210776_100000211942 [0,2,0,0,0,0|1,0,0]=3 22818 B13R0.272 CCCCC(CC)CSCCCCO 62a_100000211942_100000210776 [0,2,0,0,0,0|1,0,0]=3 22819 B13R0.272 CCCCC(CC)NCCCCCO 270004a_100000762737_100000753412 [0,2,0,0,0,0|1,0,0]=3 22820 B13R0.272 CCCCC(CC)NCCCCCO 34a_100000762737_200011216223 [0,2,0,0,0,0|1,0,0]=3 22821 B13R0.272 CCCCC(CC)NCCOCCO 270004a_100000211614_100000753412 [0,2,0,0,0,0|2,0,0]=4 22822 B13R0.272 CCCCC(CC)NCCOCCO 34a_100000211614_200011216223 [0,2,0,0,0,0|2,0,0]=4 22823 B13R0.272 CCCCC(CC)NCCSCCO 270004a_100011219999_100000753412 [0,2,0,0,0,0|2,0,0]=4 22824 B13R0.272 CCCCC(CC)OCCCCCBr 34a_100000746331_200011216223 [0,2,0,0,0,0|2,0,0]=4 22825 B13R0.272 CCCCC(CC)OCCCCCBr 7a_100000746331_200011216223 [0,2,0,0,0,0|2,0,0]=4 22826 B13R0.272 CCCCC(CC)OCCCCCCl 34a_100000746330_200011216223 [0,2,0,0,0,0|2,0,0]=4 22827 B13R0.272 CCCCC(CC)OCCCCCCl 7a_100000746330_200011216223 [0,2,0,0,0,0|2,0,0]=4 22828 B13R0.272 CCCCC(CC)OCCCCCF 34a_100011215227_100000729378 [0,2,0,0,0,0|2,0,0]=4 22829 B13R0.272 CCCCC(CC)OCCCCCF 7a_100011215227_100000729378 [0,2,0,0,0,0|2,0,0]=4 22830 B13R0.272 CCCCC(CC)OCCCCCI 34a_200012148887_200011216223 [0,2,0,0,0,0|2,0,0]=4 22831 B13R0.272 CCCCC(CC)OCCCCCI 7a_200012148887_200011216223 [0,2,0,0,0,0|2,0,0]=4 22832 B13R0.272 CCCCC(CC)OCCCCCN 34a_100000762737_200011216223 [0,2,0,0,0,0|2,0,0]=4 22833 B13R0.272 CCCCC(CC)OCCCCCO 34a_100011215227_100000746330 [0,2,0,0,0,0|1,0,0]=3 22834 B13R0.272 CCCCC(CC)OCCCCCO 7a_100011215227_100000746330 [0,2,0,0,0,0|1,0,0]=3 22835 B13R0.272 CCCCC(CC)OCCOCCO 34a_100011215227_100000692535 [0,2,0,0,0,0|2,0,0]=4 22836 B13R0.272 CCCCC(CC)OCCOCCO 7a_100011215227_100011215305 [0,2,0,0,0,0|2,0,0]=4 22837 B13R0.272 CCCCC(CC)SCCCCCF 62a_100000729378_200011216223 [0,2,0,0,0,0|2,0,0]=4 22838 B13R0.272 CCCCC(CC)SCCCCCF 62a_200011216223_100000729378 [0,2,0,0,0,0|2,0,0]=4 22839 B13R0.272 CCCCC(CC)SCCCCCO 62a_100000746330_200011216223 [0,2,0,0,0,0|1,0,0]=3 22840 B13R0.272 CCCCC(CC)SCCCCCO 62a_200011216223_100000746330 [0,2,0,0,0,0|1,0,0]=3 22841 B13R0.272 CCCCC(CC)SCCOCCO 62a_100011215305_200011216223 [0,2,0,0,0,0|2,0,0]=4 22842 B13R0.272 CCCCC(CC)SCCOCCO 62a_200011216223_100011215305 [0,2,0,0,0,0|2,0,0]=4 22843 B13R0.272 CCCCCCCC(CC)NCCC 270004a_100020643023_200011217162 [0,2,0,0,0,0|2,0,0]=4 22844 B13R0.272 CCCCCCCC(CC)NCCO 270004a_100000210304_200011217162 [0,2,0,0,0,0|1,0,0]=3 22845 B13R0.272 CCCCCCCC(CC)OCCC 34a_200011217053_100000210303 [0,2,0,0,0,0|2,0,0]=4 22846 B13R0.272 CCCCCCCC(CC)OCCC 7a_200011217053_100000210303 [0,2,0,0,0,0|2,0,0]=4 22847 B13R0.272 CCCCCCCC(CC)OCCF 34a_200011217053_100011217306 [0,2,0,0,0,0|2,0,0]=4 22848 B13R0.272 CCCCCCCC(CC)OCCF 7a_200011217053_100011217306 [0,2,0,0,0,0|2,0,0]=4 22849 B13R0.272 CCCCCCCC(CC)OCCO 34a_200011217053_100000211926 [0,2,0,0,0,0|1,0,0]=3 22850 B13R0.272 CCCCCCCC(CC)OCCO 7a_200011217053_100000211926 [0,2,0,0,0,0|1,0,0]=3 22851 B13R0.272 CCCCCCCC(CCCC)NC 270004a_106832991635_200011217844 [0,2,0,0,0,0|1,0,0]=3 22852 B13R0.272 CCCCCCCN(CC)CCCC 2230a_100000207695_100000210681 [0,2,0,0,0,0|2,0,0]=4 22853 B13R0.272 CCCCCCCN(CC)CCCC 2230a_100000228213_100000210211 [0,2,0,0,0,0|2,0,0]=4 22854 B13R0.272 CCCCCCCN(CC)CCCC 269982a_100000207695_100000210681 [0,2,0,0,0,0|2,0,0]=4 22855 B13R0.272 CCCCCCCN(CC)CCCC 269982a_100000228213_100000210211 [0,2,0,0,0,0|2,0,0]=4 22856 B13R0.272 CCCCCCCN(CC)CCCF 2230a_100000228213_100011934791 [0,2,0,0,0,0|2,0,0]=4 22857 B13R0.272 CCCCCCCN(CC)CCCF 269982a_100000228213_100011934791 [0,2,0,0,0,0|2,0,0]=4 22858 B13R0.272 CCCCCCCN(CC)CCCO 2230a_100000228213_100000230001 [0,2,0,0,0,0|1,0,0]=3 22859 B13R0.272 CCCCCCCN(CC)CCCO 269982a_100000228213_100011215043 [0,2,0,0,0,0|1,0,0]=3 22860 B13R0.272 CCCCCCNC(CC)CCCC 270004a_100000210581_100000753412 [0,2,0,0,0,0|2,0,0]=4 22861 B13R0.272 CCCCCCN[C@H](CO)CCCC 2230a_100011934283_100000210314 [0,2,0,0,0,0|2,0,0]=4 22862 B13R0.272 CCCCCCN[C@H](CO)CCCC 34a_100011934283_100000210314 [0,2,0,0,0,0|2,0,0]=4 22863 B13R0.272 CCCCCCOC(CC)CCCC 34a_100000210259_200011216223 [0,2,0,0,0,0|2,0,0]=4 22864 B13R0.272 CCCCCCOC(CC)CCCC 34a_100011215227_100000210314 [0,2,0,0,0,0|2,0,0]=4 22865 B13R0.272 CCCCCCOC(CC)CCCC 7a_100000210259_200011216223 [0,2,0,0,0,0|2,0,0]=4 22866 B13R0.272 CCCCCCOC(CC)CCCC 7a_100011215227_100000210314 [0,2,0,0,0,0|2,0,0]=4 22867 B13R0.272 CCCCCCSC(CC)CCCC 62a_100000210314_200011216223 [0,2,0,0,0,0|2,0,0]=4 22868 B13R0.272 CCCCCCSC(CC)CCCC 62a_200011216223_100000210757 [0,2,0,0,0,0|2,0,0]=4 22869 B13R0.272 CCCCCNCC(CC)CCCC 2230a_100000209976_100000210326 [0,2,0,0,0,0|2,0,0]=4 22870 B13R0.272 CCCCCNCC(CC)CCCC 2230a_100000209983_100000211942 [0,2,0,0,0,0|2,0,0]=4 22871 B13R0.272 CCCCCNCC(CC)CCCC 269862a_100000209983_100011219736 [0,2,0,0,0,0|2,0,0]=4 22872 B13R0.272 CCCCCNCC(CC)CCCC 270004a_100000209983_100011219736 [0,2,0,0,0,0|2,0,0]=4 22873 B13R0.272 CCCCCOCC(CC)CCCC 34a_100000210253_100000211942 [0,2,0,0,0,0|2,0,0]=4 22874 B13R0.272 CCCCCOCC(CC)CCCC 34a_100000210273_100000718602 [0,2,0,0,0,0|2,0,0]=4 22875 B13R0.272 CCCCCOCC(CC)CCCC 7a_100000210253_100000211942 [0,2,0,0,0,0|2,0,0]=4 22876 B13R0.272 CCCCCOCC(CC)CCCC 7a_100000210273_100000210326 [0,2,0,0,0,0|2,0,0]=4 22877 B13R0.272 CCCCCSCC(CC)CCCC 62a_100000210326_100000211942 [0,2,0,0,0,0|2,0,0]=4 22878 B13R0.272 CCCCCSCC(CC)CCCC 62a_100000211942_100000210326 [0,2,0,0,0,0|2,0,0]=4 22879 B13R0.272 CCCCN(CC)CCCCCCF 2230a_100000207695_100015922095 [0,2,0,0,0,0|2,0,0]=4 22880 B13R0.272 CCCCN(CC)CCCCCCF 269982a_100000207695_100015922095 [0,2,0,0,0,0|2,0,0]=4 22881 B13R0.272 CCCCN(CC)CCCCCCO 2230a_100000207695_100000766143 [0,2,0,0,0,0|1,0,0]=3 22882 B13R0.272 CCCCN(CC)CCCCCCO 269982a_100000207695_100000766143 [0,2,0,0,0,0|1,0,0]=3 22883 B13R0.272 CCCCN(CC)CCNCCCO 2230a_200011208488_100000230001 [0,2,0,0,0,0|2,0,0]=4 22884 B13R0.272 CCCC[C@@H](CO)NCCCCCF 2230a_100011934283_100000729378 [0,2,0,0,0,0|2,0,0]=4 22885 B13R0.272 CCCC[C@@H](CO)NCCCCCF 34a_100011934283_100000729378 [0,2,0,0,0,0|2,0,0]=4 22886 B13R0.272 CCCC[C@@H](CO)NCCCCCO 2230a_100011934283_100000746330 [0,2,0,0,0,0|1,0,0]=3 22887 B13R0.272 CCCC[C@@H](CO)NCCCCCO 34a_100011934283_100000746330 [0,2,0,0,0,0|1,0,0]=3 22888 B13R0.272 CCCC[C@@H](CO)NCCOCCO 2230a_100011934283_100011215305 [0,2,0,0,0,0|2,0,0]=4 22889 B13R0.272 CCCC[C@@H](CO)NCCOCCO 34a_100011934283_100000692535 [0,2,0,0,0,0|2,0,0]=4 22890 B13R0.272 CCN(CCCCCCO)CCOC 2230a_100000731262_100000766143 [0,2,0,0,0,0|2,0,0]=4 22891 B13R0.272 CCN(CCCCCCO)CCOC 269982a_100000731262_100000766143 [0,2,0,0,0,0|2,0,0]=4 22892 B13R0.272 CCOCC(CN)OCCCCCO 34a_102515437182_100000746330 [0,2,0,0,0,0|2,0,0]=4 22893 B13R0.272 CSCC[C@@H](CO)NCCCCCO 2230a_100011827619_100000746330 [0,2,0,0,0,0|2,0,0]=4 22894 B13R0.274 CCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747405 [0,2,0,0,0,0|0,0,2]=4 22895 B13R0.274 CCC(C)CC(=O)CCCCCCF 1458a_100000708755_100015922095 [0,2,0,0,0,0|1,0,1]=4 22896 B13R0.274 CCC(C)CC(=O)CCCCCCO 1458a_100000708755_100000766143 [0,2,0,0,0,0|0,0,1]=3 22897 B13R0.274 CCC(C)CC(=O)CCCCCCO 1458a_100011996774_100000748023 [0,2,0,0,0,0|0,0,1]=3 22898 B13R0.274 CCC(C)CC(=O)NCCCCCO 240690a_100000762737_100000708755 [0,2,0,0,0,0|1,0,1]=4 22899 B13R0.274 CCC(C)CC(C)NCCCCCF 2230a_100000763565_100000729378 [0,2,0,0,0,0|2,0,0]=4 22900 B13R0.274 CCC(C)CC(C)NCCCCCO 2230a_100000763565_100000746330 [0,2,0,0,0,0|1,0,0]=3 22901 B13R0.274 CCC(C)CC(C)NCCCCCO 270004a_100000762737_100011710205 [0,2,0,0,0,0|1,0,0]=3 22902 B13R0.274 CCC(C)CC(C)NCCOCCO 2230a_100000763565_100011215305 [0,2,0,0,0,0|2,0,0]=4 22903 B13R0.274 CCC(C)CC(C)NCCOCCO 270004a_100000211614_100011710205 [0,2,0,0,0,0|2,0,0]=4 22904 B13R0.274 CCC(C)CC(C)NCCSCCO 270004a_100011219999_100011710205 [0,2,0,0,0,0|2,0,0]=4 22905 B13R0.274 CCC(C)CN(C)CCCCCCF 2230a_100000753921_100015922095 [0,2,0,0,0,0|2,0,0]=4 22906 B13R0.274 CCC(C)CN(C)CCCCCCF 269982a_100000753921_100015922095 [0,2,0,0,0,0|2,0,0]=4 22907 B13R0.274 CCC(C)CN(C)CCCCCCO 2230a_100000753921_100000766143 [0,2,0,0,0,0|1,0,0]=3 22908 B13R0.274 CCC(C)CN(C)CCCCCCO 269982a_100000753921_100000766143 [0,2,0,0,0,0|1,0,0]=3 22909 B13R0.274 CCC(C)NC(=O)CCCCCCO 240690a_100000209981_100011996774 [0,2,0,0,0,0|1,0,1]=4 22910 B13R0.274 CCC(O)CC(=O)CCCCCCF 1458a_100011667805_100015922095 [0,2,0,0,0,0|1,0,1]=4 22911 B13R0.274 CCC(O)CC(=O)CCCCCCO 1458a_100011667805_100000766143 [0,2,0,0,0,0|0,0,1]=3 22912 B13R0.274 CCC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218378 [0,2,0,0,0,0|0,0,1]=3 22913 B13R0.274 CCC(O)CC(=O)NCCCCCO 240690a_100000762737_100011667805 [0,2,0,0,0,0|1,0,1]=4 22914 B13R0.274 CCCCCCCC(=O)CC(C)CC 1458a_100000211969_100000748023 [0,2,0,0,0,0|1,0,1]=4 22915 B13R0.274 CCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210614 [0,2,0,0,0,0|1,0,1]=4 22916 B13R0.274 CCCCCCCC(=O)CC(O)CC 1458a_100000211969_100011218378 [0,2,0,0,0,0|1,0,1]=4 22917 B13R0.274 CCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210614 [0,2,0,0,0,0|1,0,1]=4 22918 B13R0.274 CCCCCCCC(=O)C[C@@H](C)CC 1458a_100000211969_100009816398 [0,2,0,0,0,0|1,0,1]=4 22919 B13R0.274 CCCCCCCC(=O)C[C@@H](C)CO 1458a_100000211969_100000059175 [0,2,0,0,0,0|0,0,1]=3 22920 B13R0.274 CCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211969 [0,2,0,0,0,0|1,0,1]=4 22921 B13R0.274 CCCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000211969 [0,2,0,0,0,0|1,0,1]=4 22922 B13R0.274 CCCCCCCC(C)NC(C)CC 2230a_100000209981_200011218727 [0,2,0,0,0,0|2,0,0]=4 22923 B13R0.274 CCCCCCCC(C)NC(C)CC 270004a_100000209981_100000210596 [0,2,0,0,0,0|2,0,0]=4 22924 B13R0.274 CCCCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210596 [0,2,0,0,0,0|2,0,0]=4 22925 B13R0.274 CCCCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218727 [0,2,0,0,0,0|1,0,0]=3 22926 B13R0.274 CCCCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210596 [0,2,0,0,0,0|1,0,0]=3 22927 B13R0.274 CCCCCCCC(C)OC(C)CC 34a_200011215852_100011215416 [0,2,0,0,0,0|2,0,0]=4 22928 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_100000210228_200011218727 [0,2,0,0,0,0|2,0,0]=4 22929 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_200011215852_100000758301 [0,2,0,0,0,0|2,0,0]=4 22930 B13R0.274 CCCCCCCC(C)OC(C)CF 34a_100016041109_200011218727 [0,2,0,0,0,0|2,0,0]=4 22931 B13R0.274 CCCCCCCC(C)OC(C)CF 7a_100016041109_200011218727 [0,2,0,0,0,0|2,0,0]=4 22932 B13R0.274 CCCCCCCC(C)OC(C)CN 34a_100000210904_200011218727 [0,2,0,0,0,0|2,0,0]=4 22933 B13R0.274 CCCCCCCC(C)OC(C)CO 34a_200011215852_100012180447 [0,2,0,0,0,0|1,0,0]=3 22934 B13R0.274 CCCCCCCC(C)OC(C)CO 7a_200011215852_100012180447 [0,2,0,0,0,0|1,0,0]=3 22935 B13R0.274 CCCCCCCC(C)SC(C)CC 62a_100000758301_200011218727 [0,2,0,0,0,0|2,0,0]=4 22936 B13R0.274 CCCCCCCC(C)SC(C)CC 62a_200011218727_100000758301 [0,2,0,0,0,0|2,0,0]=4 22937 B13R0.274 CCCCCCCC(C)SC(C)CO 62a_100012180447_200011218727 [0,2,0,0,0,0|1,0,0]=3 22938 B13R0.274 CCCCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218727 [0,2,0,0,0,0|1,0,0]=3 22939 B13R0.274 CCCCCCCC(C)S[C@H](C)CO 62a_200011218727_100016084084 [0,2,0,0,0,0|1,0,0]=3 22940 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,2,0,0,0,0|1,0,1]=4 22941 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,2,0,0,0,0|1,0,1]=4 22942 B13R0.274 CCCCCCCN(C)CC(C)CC 2230a_100000228206_100000748023 [0,2,0,0,0,0|2,0,0]=4 22943 B13R0.274 CCCCCCCN(C)CC(C)CC 2230a_100000753921_100000210681 [0,2,0,0,0,0|2,0,0]=4 22944 B13R0.274 CCCCCCCN(C)CC(C)CC 269982a_100000228206_100000748023 [0,2,0,0,0,0|2,0,0]=4 22945 B13R0.274 CCCCCCCN(C)CC(C)CC 269982a_100000753921_100000210681 [0,2,0,0,0,0|2,0,0]=4 22946 B13R0.274 CCCCCCCN(C)CC(C)CC 270004a_100000228206_100000243153 [0,2,0,0,0,0|2,0,0]=4 22947 B13R0.274 CCCCCCCN(C)CC(O)CC 2230a_100000228206_100011218378 [0,2,0,0,0,0|2,0,0]=4 22948 B13R0.274 CCCCCCCN(C)CC(O)CC 269982a_100000228206_100011218378 [0,2,0,0,0,0|2,0,0]=4 22949 B13R0.274 CCCCCCCN(C)CC(O)CO 2230a_100000228206_100011219619 [0,2,0,0,0,0|1,0,0]=3 22950 B13R0.274 CCCCCCCN(C)CC(O)CO 2230a_100011216503_100000210681 [0,2,0,0,0,0|1,0,0]=3 22951 B13R0.274 CCCCCCCN(C)CC(O)CO 269982a_100011216503_100000210681 [0,2,0,0,0,0|1,0,0]=3 22952 B13R0.274 CCCCCCCN(C)C[C@@H](C)CC 2230a_100000228206_100009816398 [0,2,0,0,0,0|2,0,0]=4 22953 B13R0.274 CCCCCCCN(C)C[C@@H](C)CC 269982a_100000228206_100009816398 [0,2,0,0,0,0|2,0,0]=4 22954 B13R0.274 CCCCCCCN(C)C[C@@H](C)CO 2230a_100000228206_100000059175 [0,2,0,0,0,0|1,0,0]=3 22955 B13R0.274 CCCCCCCN(C)C[C@@H](C)CO 269982a_100000228206_100000059175 [0,2,0,0,0,0|1,0,0]=3 22956 B13R0.274 CCCCCCCN(C)C[C@@H](O)CF 2230a_100000228206_100015614560 [0,2,0,0,0,0|2,0,0]=4 22957 B13R0.274 CCCCCCCN(C)C[C@@H](O)CO 2230a_100000228206_100009815848 [0,2,0,0,0,0|1,0,0]=3 22958 B13R0.274 CCCCCCNC(C)CC(C)CC 2230a_100000763565_100000210314 [0,2,0,0,0,0|2,0,0]=4 22959 B13R0.274 CCCCCCNC(C)CC(C)CC 270004a_100000210581_100011710205 [0,2,0,0,0,0|2,0,0]=4 22960 B13R0.274 CCCCOCCN(C)CC(O)CO 2230a_100011216503_100000743108 [0,2,0,0,0,0|2,0,0]=4 22961 B13R0.274 CCCCOCCN(C)CC(O)CO 269982a_100011216503_100000743108 [0,2,0,0,0,0|2,0,0]=4 22962 B13R0.274 CCN(C)CC(=O)CCCCCCO 1458a_100116209913_100000766143 [0,2,0,0,0,0|1,0,1]=4 22963 B13R0.274 CC[C@H](C)CC(=O)CCCCCCO 1458a_100011996774_100009816398 [0,2,0,0,0,0|0,0,1]=3 22964 B13R0.274 CN(CCCCCCF)CC(O)CO 2230a_100011216503_100015922095 [0,2,0,0,0,0|2,0,0]=4 22965 B13R0.274 CN(CCCCCCF)CC(O)CO 269982a_100011216503_100015922095 [0,2,0,0,0,0|2,0,0]=4 22966 B13R0.274 CN(CCCCCCO)CC(O)CO 2230a_100011216503_100000766143 [0,2,0,0,0,0|2,0,0]=4 22967 B13R0.274 CN(CCCCCCO)CC(O)CO 269982a_100011216503_100000766143 [0,2,0,0,0,0|2,0,0]=4 22968 B13R0.274 COCCCCCC(=O)C[C@@H](C)CO 1458a_100011935119_100000059175 [0,2,0,0,0,0|1,0,1]=4 22969 B13R0.274 C[C@@H](CO)CC(=O)CCCCCCO 1458a_100011996774_100000059175 [0,2,0,0,0,0|1,0,1]=4 22970 B13R0.689 CC(C)(CCCBr)OCCCCCO 7a_100009888830_100000746330 [0,2,0,0,0,0|2,0,0]=4 22971 B13R0.689 CCCCC(C)(C)COCCCCF 7a_200011995781_100000729493 [0,2,0,0,0,0|2,0,0]=4 22972 B13R0.689 CCCCC(C)(C)COCCCCO 7a_200011995781_100000210776 [0,2,0,0,0,0|1,0,0]=3 22973 B13R0.689 CCCCC(C)(C)OCCCCCF 7a_100011219641_100000729378 [0,2,0,0,0,0|2,0,0]=4 22974 B13R0.689 CCCCC(C)(C)OCCCCCO 7a_100011219641_100000746330 [0,2,0,0,0,0|1,0,0]=3 22975 B13R0.689 CCCCC(C)(C)OCCOCCO 7a_100011219641_100011215305 [0,2,0,0,0,0|2,0,0]=4 22976 B13R0.689 CCCCCCCC(C)(C)NCCF 34a_100000724931_200000046972 [0,2,0,0,0,0|2,0,0]=4 22977 B13R0.689 CCCCCCCC(C)(C)NCCO 34a_100016990907_200000046972 [0,2,0,0,0,0|1,0,0]=3 22978 B13R0.689 CCCCCCCC(C)(C)OCCBr 34a_100000211926_200000046972 [0,2,0,0,0,0|2,0,0]=4 22979 B13R0.689 CCCCCCCC(C)(C)OCCC 34a_100000210258_200000046972 [0,2,0,0,0,0|2,0,0]=4 22980 B13R0.689 CCCCCCCC(C)(C)OCCN 34a_100000210304_200000046972 [0,2,0,0,0,0|2,0,0]=4 22981 B13R0.689 CCCCCCCC(C)(C)SCCC 62a_100000210303_200000046972 [0,2,0,0,0,0|2,0,0]=4 22982 B13R0.689 CCCCCCCC(C)(C)SCCC 62a_200000046972_100000210303 [0,2,0,0,0,0|2,0,0]=4 22983 B13R0.689 CCCCCCCC(C)(C)SCCF 62a_100011217306_200000046972 [0,2,0,0,0,0|2,0,0]=4 22984 B13R0.689 CCCCCCCC(C)(C)SCCF 62a_200000046972_100011217306 [0,2,0,0,0,0|2,0,0]=4 22985 B13R0.689 CCCCCCCC(C)(C)SCCO 62a_100000211926_200000046972 [0,2,0,0,0,0|1,0,0]=3 22986 B13R0.689 CCCCCCCC(C)(C)SCCO 62a_200000046972_100000211926 [0,2,0,0,0,0|1,0,0]=3 22987 B13R0.689 CCCCCCOC(C)(C)CCCBr 7a_100009888830_100000210314 [0,2,0,0,0,0|2,0,0]=4 22988 B13R0.689 CCCCCCOC(C)(C)CCCC 7a_100011219641_100000210314 [0,2,0,0,0,0|2,0,0]=4 22989 B13R0.689 CCCCCOCC(C)(C)CCCC 7a_200011995781_100000210326 [0,2,0,0,0,0|2,0,0]=4 22990 B13R0.689 CCCCS(=O)(=O)NCCCCCO 270084a_100000762737_100000212082 [0,2,0,0,0,0|2,0,0]=4 22991 B13R0.689 CCCCS(=O)(=O)NCCCCCO 274078a_100000762737_100000212082 [0,2,0,0,0,0|2,0,0]=4 22992 B13R0.689 CCCCS(=O)(=O)NCCCCCO 40a_100000762737_100000054263 [0,2,0,0,0,0|2,0,0]=4 22993 B13R0.689 CCCC[Si](C)(C)CSCCCCO 62a_100000210776_200000073895 [0,2,0,0,0,0|1,1,0]=4 22994 B13R0.689 CCCC[Si](C)(C)CSCCCCO 62a_200000073895_100000210776 [0,2,0,0,0,0|1,1,0]=4 22995 B13R0.150 C=C(C)C(=O)CCCCCCCCO 1458a_100000185857_100000033203 [0,2,0,0,0,0|0,0,2]=4 22996 B13R0.150 C=C(C)C(C)NCCCCCCCO 269862a_100011996573_100011216138 [0,2,0,0,0,0|1,0,1]=4 22997 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [0,2,0,0,0,0|1,0,1]=4 22998 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [0,2,0,0,0,0|1,0,1]=4 22999 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [0,2,0,0,0,0|1,0,1]=4 23000 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,2,0,0,0,0|1,0,1]=4 23001 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [0,2,0,0,0,0|1,0,1]=4 23002 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [0,2,0,0,0,0|1,0,1]=4 23003 B13R0.150 CC(C)C(=O)CCCCCCCCO 1458a_100000210198_100000033203 [0,2,0,0,0,0|0,0,1]=3 23004 B13R0.150 CC(C)C(=O)CNCCCCCCO 2230a_100000686447_100000753385 [0,2,0,0,0,0|1,0,1]=4 23005 B13R0.150 CC(C)C(=O)CNCCCCCCO 34a_100000686447_100000753385 [0,2,0,0,0,0|1,0,1]=4 23006 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000753385_100000766143 [0,2,0,0,0,0|1,0,1]=4 23007 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000766143_100000753385 [0,2,0,0,0,0|1,0,1]=4 23008 B13R0.150 CC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210198 [0,2,0,0,0,0|1,0,1]=4 23009 B13R0.150 CC(C)C(C)NCCCCCCCO 2230a_100000211541_100000760002 [0,2,0,0,0,0|1,0,0]=3 23010 B13R0.150 CC(C)C(C)OCCCCCCCO 7a_100000748068_100000760002 [0,2,0,0,0,0|1,0,0]=3 23011 B13R0.150 CC(C)C(N)CCOCCCCCF 34a_100161115045_100000729378 [0,2,0,0,0,0|2,0,0]=4 23012 B13R0.150 CC(C)C(N)CCOCCCCCO 34a_100161115045_100000746330 [0,2,0,0,0,0|1,0,0]=3 23013 B13R0.150 CC(C)C(N)CCOCCOCCO 34a_100161115045_100000692535 [0,2,0,0,0,0|2,0,0]=4 23014 B13R0.150 CC(C)C(O)CNCCCCCCF 2230a_100000759067_100015922095 [0,2,0,0,0,0|2,0,0]=4 23015 B13R0.150 CC(C)C(O)CNCCCCCCF 34a_100000759067_100015922095 [0,2,0,0,0,0|2,0,0]=4 23016 B13R0.150 CC(C)C(O)CNCCCCCCO 2230a_100000759067_100000766143 [0,2,0,0,0,0|1,0,0]=3 23017 B13R0.150 CC(C)C(O)CNCCCCCCO 34a_100000759067_100000766143 [0,2,0,0,0,0|1,0,0]=3 23018 B13R0.150 CC(C)N(C)CCCCCCCCO 269982a_200000211004_100000033203 [0,2,0,0,0,0|1,0,0]=3 23019 B13R0.150 CC(C)[C@@H](N)COCCCCCCF 34a_100011830312_100015922095 [0,2,0,0,0,0|2,0,0]=4 23020 B13R0.150 CC(C)[C@@H](N)COCCCCCCO 34a_100011830312_100000766143 [0,2,0,0,0,0|1,0,0]=3 23021 B13R0.150 CC(F)C(=O)CCCCCCCCO 1458a_100000062450_100000033203 [0,2,0,0,0,0|0,0,1]=3 23022 B13R0.150 CC(F)C(=O)NCCCCCCCO 240690a_100011996573_100000062450 [0,2,0,0,0,0|1,0,1]=4 23023 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [0,2,0,0,0,0|1,0,1]=4 23024 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [0,2,0,0,0,0|1,0,1]=4 23025 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [0,2,0,0,0,0|1,0,1]=4 23026 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|0,0,1]=3 23027 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|0,0,1]=3 23028 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|0,0,1]=3 23029 B13R0.150 CCCCCCCCCC(C)N(C)C 270004a_100102631434_100011215753 [0,2,0,0,0,0|2,0,0]=4 23030 B13R0.150 CCCCCCCCCN(C)C(C)C 2230a_100000232482_100000210206 [0,2,0,0,0,0|2,0,0]=4 23031 B13R0.150 CCCCCCCCCN(C)C(C)C 269982a_100000232482_100000210206 [0,2,0,0,0,0|2,0,0]=4 23032 B13R0.150 CCCCCCCCCN(C)C(C)C 269982a_200000211004_100000210670 [0,2,0,0,0,0|2,0,0]=4 23033 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,2,0,0,0,0|1,0,1]=4 23034 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,2,0,0,0,0|1,0,1]=4 23035 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,2,0,0,0,0|1,0,1]=4 23036 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,2,0,0,0,0|1,0,1]=4 23037 B13R0.150 CCCCCCCCNC(C)C(C)C 2230a_100000211541_100000210759 [0,2,0,0,0,0|2,0,0]=4 23038 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|1,0,1]=4 23039 B13R0.150 CCCCCCCCOC(C)C(C)C 7a_100000748068_100000210759 [0,2,0,0,0,0|2,0,0]=4 23040 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|1,0,1]=4 23041 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|1,0,1]=4 23042 B13R0.150 CCCCCCCNCC(O)C(C)C 2230a_100000759067_100000210681 [0,2,0,0,0,0|2,0,0]=4 23043 B13R0.150 CCCCCCCNCC(O)C(C)C 34a_100000759067_100000210614 [0,2,0,0,0,0|2,0,0]=4 23044 B13R0.150 CCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210614 [0,2,0,0,0,0|2,0,0]=4 23045 B13R0.150 CCCCCCOCCC(N)C(C)C 34a_100161115045_100000210314 [0,2,0,0,0,0|2,0,0]=4 23046 B13R0.150 CN(C)C(=O)CCCCCCCCO 240690a_100102631434_100000015970 [0,2,0,0,0,0|1,0,1]=4 23047 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [0,2,0,0,0,0|0,0,1]=3 23048 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [0,2,0,0,0,0|1,0,1]=4 23049 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [0,2,0,0,0,0|0,0,1]=3 23050 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [0,2,0,0,0,0|1,0,1]=4 23051 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [0,2,0,0,0,0|1,0,1]=4 23052 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,2,0,0,0,0|1,0,1]=4 23053 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,2,0,0,0,0|1,0,1]=4 23054 B13R0.179 CC(Br)CCOCCCCCB(O)O 34a_100009893172_200009817188 [0,2,0,0,0,0|2,0,0]=4 23055 B13R0.179 CC(Br)COCCCCCCB(O)O 34a_100012180447_100009817187 [0,2,0,0,0,0|2,0,0]=4 23056 B13R0.179 CC(C)CCCCCCCOC(C)C 34a_200000210741_100000210206 [0,2,0,0,0,0|2,0,0]=4 23057 B13R0.179 CC(C)CCCCCCCOC(C)C 7a_200000210741_100000210206 [0,2,0,0,0,0|2,0,0]=4 23058 B13R0.179 CC(C)CCCCCCNCC(C)C 2230a_100000211014_100000210760 [0,2,0,0,0,0|2,0,0]=4 23059 B13R0.179 CC(C)CCCCCCNCC(C)C 270004a_100000211014_100000210432 [0,2,0,0,0,0|2,0,0]=4 23060 B13R0.179 CC(C)CCCCCCNCC(C)C 34a_100000211014_100000210624 [0,2,0,0,0,0|2,0,0]=4 23061 B13R0.179 CC(C)CCCCCCNCC(C)O 2230a_100000211014_100011218427 [0,2,0,0,0,0|1,0,0]=3 23062 B13R0.179 CC(C)CCCCCCNCC(C)O 34a_100000211014_100011218427 [0,2,0,0,0,0|1,0,0]=3 23063 B13R0.179 CC(C)CCCCCCNCC(F)F 2230a_100000211014_100011934356 [0,2,0,0,0,0|2,0,0]=4 23064 B13R0.179 CC(C)CCCCCCNCC(F)F 34a_100000211014_100011934356 [0,2,0,0,0,0|2,0,0]=4 23065 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 2230a_100000211014_100009817552 [0,2,0,0,0,0|1,0,0]=3 23066 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 34a_100000211014_100009817552 [0,2,0,0,0,0|1,0,0]=3 23067 B13R0.179 CC(C)CCCCCNCCC(C)C 2230a_100011290863_100000210312 [0,2,0,0,0,0|2,0,0]=4 23068 B13R0.179 CC(C)CCCCCNCCC(C)C 269862a_100011290863_100000185833 [0,2,0,0,0,0|2,0,0]=4 23069 B13R0.179 CC(C)CCCCCNCCC(C)C 34a_100011290863_100000210312 [0,2,0,0,0,0|2,0,0]=4 23070 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_100011290863_100012276601 [0,2,0,0,0,0|1,0,0]=3 23071 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_200000755665_100000210682 [0,2,0,0,0,0|1,0,0]=3 23072 B13R0.179 CC(C)CCCCCNCCC(C)O 34a_100011290863_100012276601 [0,2,0,0,0,0|1,0,0]=3 23073 B13R0.179 CC(C)CCCCCOCCC(C)Br 34a_100009893172_100000210682 [0,2,0,0,0,0|2,0,0]=4 23074 B13R0.179 CC(C)CCCCCOCCC(C)C 34a_100000210254_100000210682 [0,2,0,0,0,0|2,0,0]=4 23075 B13R0.179 CC(C)CCCCCOCCC(C)C 34a_100011995859_100000210312 [0,2,0,0,0,0|2,0,0]=4 23076 B13R0.179 CC(C)CCCCCOCCC(C)C 7a_100000210254_100000210682 [0,2,0,0,0,0|2,0,0]=4 23077 B13R0.179 CC(C)CCCCCOCCC(C)C 7a_100011995859_100000210626 [0,2,0,0,0,0|2,0,0]=4 23078 B13R0.179 CC(C)CCCCCOCCC(C)O 34a_100011995859_100012276601 [0,2,0,0,0,0|1,0,0]=3 23079 B13R0.179 CC(C)CCCCCOCCC(C)O 7a_100011995859_100012276601 [0,2,0,0,0,0|1,0,0]=3 23080 B13R0.179 CC(C)CCCCCOCCC(F)F 34a_100103093639_100000210682 [0,2,0,0,0,0|2,0,0]=4 23081 B13R0.179 CC(C)CCCCCOCC[C@@H](C)N 34a_100000706166_100000210682 [0,2,0,0,0,0|2,0,0]=4 23082 B13R0.179 CC(C)CCCCCSCCC(C)C 62a_100000210312_100000210682 [0,2,0,0,0,0|2,0,0]=4 23083 B13R0.179 CC(C)CCCCCSCCC(C)C 62a_100000210682_100000210312 [0,2,0,0,0,0|2,0,0]=4 23084 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100000210682_100012276601 [0,2,0,0,0,0|1,0,0]=3 23085 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100012276601_100000210682 [0,2,0,0,0,0|1,0,0]=3 23086 B13R0.179 CC(C)CCCCNCCCC(C)C 2230a_200000737386_100011216152 [0,2,0,0,0,0|2,0,0]=4 23087 B13R0.179 CC(C)CCCCNCCCC(C)C 34a_200000737386_100011216152 [0,2,0,0,0,0|2,0,0]=4 23088 B13R0.179 CC(C)CCCCOCCCC(C)C 34a_100000210774_100011216152 [0,2,0,0,0,0|2,0,0]=4 23089 B13R0.179 CC(C)CCCCOCCCC(C)C 34a_100011214890_100011214892 [0,2,0,0,0,0|2,0,0]=4 23090 B13R0.179 CC(C)CCCCOCCCC(C)C 7a_100000210774_100011216152 [0,2,0,0,0,0|2,0,0]=4 23091 B13R0.179 CC(C)CCCCOCCCC(C)C 7a_100011214890_100011214892 [0,2,0,0,0,0|2,0,0]=4 23092 B13R0.179 CC(C)CCCCOCCCC(C)O 34a_100011214890_200000718107 [0,2,0,0,0,0|1,0,0]=3 23093 B13R0.179 CC(C)CCCCOCCCC(C)O 7a_100011214890_200000718107 [0,2,0,0,0,0|1,0,0]=3 23094 B13R0.179 CC(C)CCCCSCCCC(C)C 62a_100011214892_100011216152 [0,2,0,0,0,0|2,0,0]=4 23095 B13R0.179 CC(C)CCCCSCCCC(C)C 62a_100011216152_100011214892 [0,2,0,0,0,0|2,0,0]=4 23096 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_100011216152_200000718107 [0,2,0,0,0,0|1,0,0]=3 23097 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_200000718107_100011216152 [0,2,0,0,0,0|1,0,0]=3 23098 B13R0.179 CC(C)CCCNCCCCB(O)O 2230a_200000737386_200009817182 [0,2,0,0,0,0|2,0,0]=4 23099 B13R0.179 CC(C)CCCNCCCCB(O)O 34a_200000737386_200009817182 [0,2,0,0,0,0|2,0,0]=4 23100 B13R0.179 CC(C)CCCOCCCCB(O)O 34a_100000210774_200009817182 [0,2,0,0,0,0|2,0,0]=4 23101 B13R0.179 CC(C)CCCOCCCCB(O)O 7a_100000210774_200009817182 [0,2,0,0,0,0|2,0,0]=4 23102 B13R0.179 CC(C)CCCSCCCCB(O)O 62a_100011214892_200009817182 [0,2,0,0,0,0|2,0,0]=4 23103 B13R0.179 CC(C)CCCSCCCCB(O)O 62a_200009817182_100011214892 [0,2,0,0,0,0|2,0,0]=4 23104 B13R0.179 CC(C)CCOCCCCCB(O)O 34a_100000210254_200009817188 [0,2,0,0,0,0|2,0,0]=4 23105 B13R0.179 CC(C)CCOCCCCCB(O)O 7a_100000210254_200009817188 [0,2,0,0,0,0|2,0,0]=4 23106 B13R0.179 CC(C)CCSCCCCCB(O)O 62a_100000210312_200009817188 [0,2,0,0,0,0|2,0,0]=4 23107 B13R0.179 CC(C)CCSCCCCCB(O)O 62a_200009817188_100000210312 [0,2,0,0,0,0|2,0,0]=4 23108 B13R0.179 CC(C)CNCCCCCCB(O)O 2230a_100000210953_100009817187 [0,2,0,0,0,0|2,0,0]=4 23109 B13R0.179 CC(C)CNCCCCCCB(O)O 34a_100000210953_100009817187 [0,2,0,0,0,0|2,0,0]=4 23110 B13R0.179 CC(C)CNCCOCCCC(C)O 34a_100015185251_200000718107 [0,2,0,0,0,0|2,0,0]=4 23111 B13R0.179 CC(C)COCCCCCCB(O)O 34a_100000210257_100009817187 [0,2,0,0,0,0|2,0,0]=4 23112 B13R0.179 CC(C)COCCCNCCC(C)O 2230a_100000205972_100012276601 [0,2,0,0,0,0|2,0,0]=4 23113 B13R0.179 CC(C)COCCCNCCC(C)O 34a_100000205972_100012276601 [0,2,0,0,0,0|2,0,0]=4 23114 B13R0.179 CC(C)COCCOCCCC(C)O 34a_100000703358_200000718107 [0,2,0,0,0,0|2,0,0]=4 23115 B13R0.179 CC(C)COCCOCCCC(C)O 7a_100000703358_200000718107 [0,2,0,0,0,0|2,0,0]=4 23116 B13R0.179 CC(C)CSCCCCCCB(O)O 62a_100000210624_100009817187 [0,2,0,0,0,0|2,0,0]=4 23117 B13R0.179 CC(C)CSCCCCCCB(O)O 62a_100009817187_100000210760 [0,2,0,0,0,0|2,0,0]=4 23118 B13R0.179 CC(C)CSCCOCCCC(C)O 34a_200000230437_200000718107 [0,2,0,0,0,0|2,0,0]=4 23119 B13R0.179 CC(C)CSCCOCCCC(C)O 7a_200000230437_200000718107 [0,2,0,0,0,0|2,0,0]=4 23120 B13R0.179 CC(C)NCCCCCOC[C@@H](C)O 34a_100011629493_100009817552 [0,2,0,0,0,0|2,0,0]=4 23121 B13R0.179 CC(F)COCCCCCCB(O)O 34a_100015925927_100009817187 [0,2,0,0,0,0|2,0,0]=4 23122 B13R0.179 CC(O)CCCNCCCOC(C)C 2230a_100000737246_200000718107 [0,2,0,0,0,0|2,0,0]=4 23123 B13R0.179 CC(O)CCCNCCCOC(C)C 34a_100000737246_200000718107 [0,2,0,0,0,0|2,0,0]=4 23124 B13R0.179 CC(O)CCCOCCCNC(C)C 34a_100000182298_200000718107 [0,2,0,0,0,0|2,0,0]=4 23125 B13R0.179 CC(O)CCCSCCCCB(O)O 62a_200000718107_200009817182 [0,2,0,0,0,0|2,0,0]=4 23126 B13R0.179 CC(O)CCCSCCCCB(O)O 62a_200009817182_200000718107 [0,2,0,0,0,0|2,0,0]=4 23127 B13R0.179 CC(O)CCCSCCCCN(C)C 62a_200000718107_100000690147 [0,2,0,0,0,0|2,0,0]=4 23128 B13R0.179 CC(O)CCNCCCCCB(O)O 2230a_200000755665_200009817188 [0,2,0,0,0,0|2,0,0]=4 23129 B13R0.179 CC(O)CCOCCCCNC(C)C 34a_100011521146_100012276601 [0,2,0,0,0,0|2,0,0]=4 23130 B13R0.179 CC(O)CCSCCCCCB(O)O 62a_100012276601_200009817188 [0,2,0,0,0,0|2,0,0]=4 23131 B13R0.179 CC(O)CCSCCCCCB(O)O 62a_200009817188_100012276601 [0,2,0,0,0,0|2,0,0]=4 23132 B13R0.179 CC(O)CNCCCCCCB(O)O 2230a_100000210904_100009817187 [0,2,0,0,0,0|2,0,0]=4 23133 B13R0.179 CC(O)CNCCCCCCB(O)O 34a_100000210904_100009817187 [0,2,0,0,0,0|2,0,0]=4 23134 B13R0.179 CC(O)COCCCCCNC(C)C 34a_100011629493_100011218427 [0,2,0,0,0,0|2,0,0]=4 23135 B13R0.179 CC(O)CSCCCCCCB(O)O 62a_100009817187_100011218427 [0,2,0,0,0,0|2,0,0]=4 23136 B13R0.179 CC(O)CSCCCCCCB(O)O 62a_100011218427_100009817187 [0,2,0,0,0,0|2,0,0]=4 23137 B13R0.179 C[C@@H](Cl)COCCCCCCB(O)O 34a_100016084084_100009817187 [0,2,0,0,0,0|2,0,0]=4 23138 B13R0.179 C[C@@H](N)CCOCCCCCB(O)O 34a_100000706166_200009817188 [0,2,0,0,0,0|2,0,0]=4 23139 B13R0.179 C[C@@H](N)COCCCCCCB(O)O 34a_100000737577_100009817187 [0,2,0,0,0,0|2,0,0]=4 23140 B13R0.179 C[C@@H](O)CSCCCCCCB(O)O 62a_100009817187_100009817552 [0,2,0,0,0,0|2,0,0]=4 23141 B13R0.179 C[C@@H](O)CSCCCCCCB(O)O 62a_100009817552_100009817187 [0,2,0,0,0,0|2,0,0]=4 23142 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [0,2,0,0,0,0|1,0,1]=4 23143 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [0,2,0,0,0,0|1,0,1]=4 23144 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [0,2,0,0,0,0|1,0,1]=4 23145 B13R0.202 CC(C)CCCCCCNC(C)CO 2230a_100000211014_100012180447 [0,2,0,0,0,0|1,0,0]=3 23146 B13R0.202 CC(C)CCCCCCNC(C)CO 34a_100000211014_100012180447 [0,2,0,0,0,0|1,0,0]=3 23147 B13R0.202 CC(C)CCCCCNCC(C)CO 34a_100000744482_100000210682 [0,2,0,0,0,0|1,0,0]=3 23148 B13R0.202 CC(C)CCCCCNCC(O)CO 2230a_100011290863_100011219619 [0,2,0,0,0,0|1,0,0]=3 23149 B13R0.202 CC(C)CCCCCNCC(O)CO 34a_100011290863_100011219619 [0,2,0,0,0,0|1,0,0]=3 23150 B13R0.202 CC(C)CCCCCNC[C@@H](C)CO 2230a_100011290863_100000059175 [0,2,0,0,0,0|1,0,0]=3 23151 B13R0.202 CC(C)CCCCCNC[C@@H](C)CO 34a_100011290863_100000059175 [0,2,0,0,0,0|1,0,0]=3 23152 B13R0.202 CC(C)CCCCCNC[C@@H](F)CO 34a_100015665980_100000210682 [0,2,0,0,0,0|1,0,0]=3 23153 B13R0.202 CC(C)CCCCCNC[C@@H](O)CF 2230a_100011290863_100015614560 [0,2,0,0,0,0|2,0,0]=4 23154 B13R0.202 CC(C)CCCCCNC[C@@H](O)CF 34a_100011290863_100015614560 [0,2,0,0,0,0|2,0,0]=4 23155 B13R0.202 CC(C)CCCCCNC[C@@H](O)CO 2230a_100011290863_100009815848 [0,2,0,0,0,0|1,0,0]=3 23156 B13R0.202 CC(C)CCCCCNC[C@@H](O)CO 34a_100011290863_100009815848 [0,2,0,0,0,0|1,0,0]=3 23157 B13R0.202 CC(C)CCCCCNC[C@H](O)CO 2230a_100020644852_100000210682 [0,2,0,0,0,0|1,0,0]=3 23158 B13R0.202 CC(C)CCCCCOCC(C)CN 34a_100000744482_100000210682 [0,2,0,0,0,0|2,0,0]=4 23159 B13R0.202 CC(C)CCCCCOCC(Cl)CCl 34a_100000033668_100000210682 [0,2,0,0,0,0|2,0,0]=4 23160 B13R0.202 CC(C)CCCCCOCC(O)CO 34a_100011995859_100011219619 [0,2,0,0,0,0|1,0,0]=3 23161 B13R0.202 CC(C)CCCCCOCC(O)CO 7a_100011995859_100011219619 [0,2,0,0,0,0|1,0,0]=3 23162 B13R0.202 CC(C)CCCCCOC[C@@H](C)CO 34a_100011995859_100000059175 [0,2,0,0,0,0|1,0,0]=3 23163 B13R0.202 CC(C)CCCCCOC[C@@H](C)CO 7a_100011995859_100000059175 [0,2,0,0,0,0|1,0,0]=3 23164 B13R0.202 CC(C)CCCCCOC[C@@H](O)CF 34a_100011995859_100015614560 [0,2,0,0,0,0|2,0,0]=4 23165 B13R0.202 CC(C)CCCCCOC[C@@H](O)CF 7a_100011995859_100015614560 [0,2,0,0,0,0|2,0,0]=4 23166 B13R0.202 CC(C)CCCCCOC[C@@H](O)CO 34a_100011995859_100009815848 [0,2,0,0,0,0|1,0,0]=3 23167 B13R0.202 CC(C)CCCCCOC[C@@H](O)CO 7a_100011995859_100009815848 [0,2,0,0,0,0|1,0,0]=3 23168 B13R0.202 CC(C)CCCCCOC[C@H](F)CN 34a_100015665980_100000210682 [0,2,0,0,0,0|2,0,0]=4 23169 B13R0.202 CC(C)CCCCCSCC(O)CO 62a_100000210682_100011219619 [0,2,0,0,0,0|1,0,0]=3 23170 B13R0.202 CC(C)CCCCCSCC(O)CO 62a_100011219619_100000210682 [0,2,0,0,0,0|1,0,0]=3 23171 B13R0.202 CC(C)CCCCCSC[C@@H](C)CO 62a_100000059175_100000210682 [0,2,0,0,0,0|1,0,0]=3 23172 B13R0.202 CC(C)CCCCCSC[C@@H](C)CO 62a_100000210682_100000059175 [0,2,0,0,0,0|1,0,0]=3 23173 B13R0.202 CC(C)CCCCCSC[C@@H](O)CF 62a_100000210682_100015614560 [0,2,0,0,0,0|2,0,0]=4 23174 B13R0.202 CC(C)CCCCCSC[C@@H](O)CF 62a_100015614560_100000210682 [0,2,0,0,0,0|2,0,0]=4 23175 B13R0.202 CC(C)CCCCCSC[C@@H](O)CO 62a_100000210682_100009815848 [0,2,0,0,0,0|1,0,0]=3 23176 B13R0.202 CC(C)CCCCCSC[C@@H](O)CO 62a_100009815848_100000210682 [0,2,0,0,0,0|1,0,0]=3 23177 B13R0.202 CC(C)CCCCNCCC(C)CO 2230a_106354213184_100011216152 [0,2,0,0,0,0|1,0,0]=3 23178 B13R0.202 CC(C)CCCCNCCC(C)CO 34a_106354213184_100011216152 [0,2,0,0,0,0|1,0,0]=3 23179 B13R0.202 CC(C)CCCOCCC[C@@H](C)CN 34a_100160569302_100011214892 [0,2,0,0,0,0|2,0,0]=4 23180 B13R0.202 CC(C)COCCCNCC(O)CO 2230a_100000205972_100011219619 [0,2,0,0,0,0|2,0,0]=4 23181 B13R0.202 CC(C)COCCCNCC(O)CO 34a_100000205972_100011219619 [0,2,0,0,0,0|2,0,0]=4 23182 B13R0.202 CC(C)COCCCNC[C@@H](C)CO 2230a_100000205972_100000059175 [0,2,0,0,0,0|2,0,0]=4 23183 B13R0.202 CC(C)COCCCNC[C@@H](C)CO 34a_100000205972_100000059175 [0,2,0,0,0,0|2,0,0]=4 23184 B13R0.202 CC(C)COCCCNC[C@@H](O)CO 2230a_100000205972_100009815848 [0,2,0,0,0,0|2,0,0]=4 23185 B13R0.202 CC(C)COCCCNC[C@@H](O)CO 34a_100000205972_100009815848 [0,2,0,0,0,0|2,0,0]=4 23186 B13R0.202 CC(C)NCCCCCOC(C)CO 34a_100011629493_100012180447 [0,2,0,0,0,0|2,0,0]=4 23187 B13R0.202 CC(C)NCCCCOCC(O)CO 34a_100011521146_100011219619 [0,2,0,0,0,0|2,0,0]=4 23188 B13R0.202 CC(C)NCCCCOC[C@@H](C)CO 34a_100011521146_100000059175 [0,2,0,0,0,0|2,0,0]=4 23189 B13R0.202 CC(C)NCCCCOC[C@@H](O)CO 34a_100011521146_100009815848 [0,2,0,0,0,0|2,0,0]=4 23190 B13R0.202 CC(O)CCCOCCC[C@@H](C)CN 34a_100160569302_200000718107 [0,2,0,0,0,0|2,0,0]=4 23191 B13R0.202 CCC(C)CCCCCOCC(C)C 7a_200000035636_100000210760 [0,2,0,0,0,0|2,0,0]=4 23192 B13R0.202 CCC(C)CCCCCOCC(C)O 7a_200000035636_100011218427 [0,2,0,0,0,0|1,0,0]=3 23193 B13R0.202 CCC(C)CCCCCOCC(F)F 7a_200000035636_100011934356 [0,2,0,0,0,0|2,0,0]=4 23194 B13R0.202 CCC(C)CCCCCOC[C@@H](C)O 7a_200000035636_100009817552 [0,2,0,0,0,0|1,0,0]=3 23195 B13R0.202 CCC(C)CCCOCCCC(C)C 7a_100011216074_100011214892 [0,2,0,0,0,0|2,0,0]=4 23196 B13R0.202 CCC(C)CCCOCCCC(C)O 7a_100011216074_200000718107 [0,2,0,0,0,0|1,0,0]=3 23197 B13R0.202 CCC(C)CCNCCCCB(O)O 2230a_100020591266_200009817182 [0,2,0,0,0,0|2,0,0]=4 23198 B13R0.202 CCC(C)CCNCCCCC(C)C 2230a_100020591266_100011216152 [0,2,0,0,0,0|2,0,0]=4 23199 B13R0.202 CCC(C)CCOCCCCB(O)O 7a_100011215188_200009817182 [0,2,0,0,0,0|2,0,0]=4 23200 B13R0.202 CCC(C)CCOCCCCC(C)C 7a_100011215188_100011216152 [0,2,0,0,0,0|2,0,0]=4 23201 B13R0.202 CCC(C)CNCCCCCB(O)O 2230a_100020588543_200009817188 [0,2,0,0,0,0|2,0,0]=4 23202 B13R0.202 CCC(C)CNCCCCCC(C)C 2230a_100011290863_100000748023 [0,2,0,0,0,0|2,0,0]=4 23203 B13R0.202 CCC(C)CNCCCCCC(C)C 2230a_100020588543_100000210682 [0,2,0,0,0,0|2,0,0]=4 23204 B13R0.202 CCC(C)CNCCCCCC(C)C 270004a_100011290863_100000243153 [0,2,0,0,0,0|2,0,0]=4 23205 B13R0.202 CCC(C)CNCCCCCC(C)C 34a_100011290863_100000748023 [0,2,0,0,0,0|2,0,0]=4 23206 B13R0.202 CCC(C)COCCCCCC(C)C 34a_100011995859_100000748023 [0,2,0,0,0,0|2,0,0]=4 23207 B13R0.202 CCC(C)COCCCCCC(C)C 7a_100011995859_100000748023 [0,2,0,0,0,0|2,0,0]=4 23208 B13R0.202 CCC(C)CSCCCCCB(O)O 62a_100000748023_200009817188 [0,2,0,0,0,0|2,0,0]=4 23209 B13R0.202 CCC(C)CSCCCCCB(O)O 62a_200009817188_100000748023 [0,2,0,0,0,0|2,0,0]=4 23210 B13R0.202 CCC(C)CSCCCCCC(C)C 62a_100000210682_100000748023 [0,2,0,0,0,0|2,0,0]=4 23211 B13R0.202 CCC(C)CSCCCCCC(C)C 62a_100000748023_100000210682 [0,2,0,0,0,0|2,0,0]=4 23212 B13R0.202 CCC(C)NCCCCCCB(O)O 2230a_100000209981_100009817187 [0,2,0,0,0,0|2,0,0]=4 23213 B13R0.202 CCC(C)NCCCCCCC(C)C 2230a_100000211014_100000758301 [0,2,0,0,0,0|2,0,0]=4 23214 B13R0.202 CCC(C)NCCCCCCC(C)C 34a_100000211014_100011215416 [0,2,0,0,0,0|2,0,0]=4 23215 B13R0.202 CCC(C)OCCCCCCB(O)O 7a_100000210228_100009817187 [0,2,0,0,0,0|2,0,0]=4 23216 B13R0.202 CCC(C)SCCCCCCB(O)O 62a_100000758301_100009817187 [0,2,0,0,0,0|2,0,0]=4 23217 B13R0.202 CCC(C)SCCCCCCB(O)O 62a_100009817187_100000758301 [0,2,0,0,0,0|2,0,0]=4 23218 B13R0.202 CCC(O)CNCCCCCB(O)O 2230a_100011218483_200009817188 [0,2,0,0,0,0|2,0,0]=4 23219 B13R0.202 CCC(O)CNCCCCCC(C)C 2230a_100011218483_100000210682 [0,2,0,0,0,0|2,0,0]=4 23220 B13R0.202 CCC(O)CNCCCCCC(C)C 2230a_100011290863_100011218378 [0,2,0,0,0,0|2,0,0]=4 23221 B13R0.202 CCC(O)CNCCCCCC(C)C 34a_100011290863_100011218378 [0,2,0,0,0,0|2,0,0]=4 23222 B13R0.202 CCC(O)COCCCCCC(C)C 34a_100011995859_100011218378 [0,2,0,0,0,0|2,0,0]=4 23223 B13R0.202 CCC(O)COCCCCCC(C)C 7a_100011995859_100011218378 [0,2,0,0,0,0|2,0,0]=4 23224 B13R0.202 CCC(O)CSCCCCCB(O)O 62a_100011218378_200009817188 [0,2,0,0,0,0|2,0,0]=4 23225 B13R0.202 CCC(O)CSCCCCCB(O)O 62a_200009817188_100011218378 [0,2,0,0,0,0|2,0,0]=4 23226 B13R0.202 CCC(O)CSCCCCCC(C)C 62a_100000210682_100011218378 [0,2,0,0,0,0|2,0,0]=4 23227 B13R0.202 CCC(O)CSCCCCCC(C)C 62a_100011218378_100000210682 [0,2,0,0,0,0|2,0,0]=4 23228 B13R0.202 CCN(C)CCCSCCCC(C)O 62a_200000718107_100015186262 [0,2,0,0,0,0|2,0,0]=4 23229 B13R0.202 CC[C@H](C)CNCCCCCC(C)C 2230a_100011290863_100009816398 [0,2,0,0,0,0|2,0,0]=4 23230 B13R0.202 CC[C@H](C)CNCCCCCC(C)C 34a_100011290863_100009816398 [0,2,0,0,0,0|2,0,0]=4 23231 B13R0.202 CC[C@H](C)COCCCCCB(O)O 7a_100009816381_200009817188 [0,2,0,0,0,0|2,0,0]=4 23232 B13R0.202 CC[C@H](C)COCCCCCC(C)C 34a_100011995859_100009816398 [0,2,0,0,0,0|2,0,0]=4 23233 B13R0.202 CC[C@H](C)COCCCCCC(C)C 7a_100009816381_100000210682 [0,2,0,0,0,0|2,0,0]=4 23234 B13R0.202 CC[C@H](C)COCCCCCC(C)C 7a_100011995859_100009816398 [0,2,0,0,0,0|2,0,0]=4 23235 B13R0.202 CC[C@H](C)CSCCCCCB(O)O 62a_100009816398_200009817188 [0,2,0,0,0,0|2,0,0]=4 23236 B13R0.202 CC[C@H](C)CSCCCCCB(O)O 62a_200009817188_100009816398 [0,2,0,0,0,0|2,0,0]=4 23237 B13R0.202 CC[C@H](C)CSCCCCCC(C)C 62a_100000210682_100009816398 [0,2,0,0,0,0|2,0,0]=4 23238 B13R0.202 CC[C@H](C)CSCCCCCC(C)C 62a_100009816398_100000210682 [0,2,0,0,0,0|2,0,0]=4 23239 B13R0.280 CC(C)(C)CCNCCCCCCF 2230a_100000738805_100015922095 [0,2,0,0,0,0|2,0,0]=4 23240 B13R0.280 CC(C)(C)CCNCCCCCCO 2230a_100000686447_100000755188 [0,2,0,0,0,0|1,0,0]=3 23241 B13R0.280 CC(C)(C)CCNCCCCCCO 2230a_100000738805_100000766143 [0,2,0,0,0,0|1,0,0]=3 23242 B13R0.280 CC(C)(C)CCNCCCCCCO 34a_100000686447_100000755188 [0,2,0,0,0,0|1,0,0]=3 23243 B13R0.280 CC(C)(C)CCOCCCCCCBr 34a_100011215345_100000755188 [0,2,0,0,0,0|2,0,0]=4 23244 B13R0.280 CC(C)(C)CCOCCCCCCBr 7a_100011215345_100000755188 [0,2,0,0,0,0|2,0,0]=4 23245 B13R0.280 CC(C)(C)CCOCCCCCCCl 34a_100000766143_100000755188 [0,2,0,0,0,0|2,0,0]=4 23246 B13R0.280 CC(C)(C)CCOCCCCCCCl 7a_100000766143_100000755188 [0,2,0,0,0,0|2,0,0]=4 23247 B13R0.280 CC(C)(C)CCOCCCCCCF 34a_100000732779_100000755188 [0,2,0,0,0,0|2,0,0]=4 23248 B13R0.280 CC(C)(C)CCOCCCCCCF 7a_100000732779_100000755188 [0,2,0,0,0,0|2,0,0]=4 23249 B13R0.280 CC(C)(C)CCOCCCCCCF 7a_100000765024_100015922095 [0,2,0,0,0,0|2,0,0]=4 23250 B13R0.280 CC(C)(C)CCOCCCCCCN 34a_100000686447_100000755188 [0,2,0,0,0,0|2,0,0]=4 23251 B13R0.280 CC(C)(C)CCOCCCCCCO 7a_100000765024_100000766143 [0,2,0,0,0,0|1,0,0]=3 23252 B13R0.280 CC(C)(C)CCSCCCCCCF 62a_100000755188_100015922095 [0,2,0,0,0,0|2,0,0]=4 23253 B13R0.280 CC(C)(C)CCSCCCCCCF 62a_100015922095_100000755188 [0,2,0,0,0,0|2,0,0]=4 23254 B13R0.280 CC(C)(C)CCSCCCCCCO 62a_100000755188_100000766143 [0,2,0,0,0,0|1,0,0]=3 23255 B13R0.280 CC(C)(C)CCSCCCCCCO 62a_100000766143_100000755188 [0,2,0,0,0,0|1,0,0]=3 23256 B13R0.280 CC(C)(C)CNCCCCCCCO 2230a_100000743828_100000760002 [0,2,0,0,0,0|1,0,0]=3 23257 B13R0.280 CC(C)(C)CNCCCCCCCO 270004a_100011996573_100011204126 [0,2,0,0,0,0|1,0,0]=3 23258 B13R0.280 CC(C)(C)CNCCCCCCCO 34a_100011996573_100011219605 [0,2,0,0,0,0|1,0,0]=3 23259 B13R0.280 CC(C)(C)CNCCCOCCCO 270004a_100011310245_100011204126 [0,2,0,0,0,0|2,0,0]=4 23260 B13R0.280 CC(C)(C)CNCCCOCCCO 34a_100011310245_100011219605 [0,2,0,0,0,0|2,0,0]=4 23261 B13R0.280 CC(C)(C)COCCCCCCCBr 34a_100000760002_100011219605 [0,2,0,0,0,0|2,0,0]=4 23262 B13R0.280 CC(C)(C)COCCCCCCCN 34a_100011996573_100011219605 [0,2,0,0,0,0|2,0,0]=4 23263 B13R0.280 CC(C)(C)CSCCCCCCCO 62a_100000760002_100011219605 [0,2,0,0,0,0|1,0,0]=3 23264 B13R0.280 CC(C)(C)CSCCCCCCCO 62a_100011219605_100000760002 [0,2,0,0,0,0|1,0,0]=3 23265 B13R0.280 CC(C)(C)NCCCCCCCCO 2230a_100000715429_100000033203 [0,2,0,0,0,0|1,0,0]=3 23266 B13R0.280 CC(C)(C)NCCCCCCCCO 34a_102515433106_100000210625 [0,2,0,0,0,0|1,0,0]=3 23267 B13R0.280 CC(C)(C)OCCCCCCCCBr 34a_100009813846_100000210625 [0,2,0,0,0,0|2,0,0]=4 23268 B13R0.280 CC(C)(C)OCCCCCCCCCl 34a_100000033203_100000210625 [0,2,0,0,0,0|2,0,0]=4 23269 B13R0.280 CC(C)(C)OCCCCCCCCN 34a_102515433106_100000210625 [0,2,0,0,0,0|2,0,0]=4 23270 B13R0.280 CC(C)(C)OCCCCCCCCO 34a_100015890283_100000033203 [0,2,0,0,0,0|1,0,0]=3 23271 B13R0.280 CC(C)(C)OCCCCCCCCO 7a_100015890283_100000033203 [0,2,0,0,0,0|1,0,0]=3 23272 B13R0.280 CC(C)(C)OCCCNCCCCO 2230a_100011250582_100000210776 [0,2,0,0,0,0|2,0,0]=4 23273 B13R0.280 CC(C)(C)OCCNCCCCCO 2230a_100000747557_100000746330 [0,2,0,0,0,0|2,0,0]=4 23274 B13R0.280 CC(C)(C)OCCOCCCCCO 34a_100000693234_100000746330 [0,2,0,0,0,0|2,0,0]=4 23275 B13R0.280 CC(C)(C)OCCOCCCCCO 7a_100000693234_100000746330 [0,2,0,0,0,0|2,0,0]=4 23276 B13R0.280 CC(C)(C)SCCCCCCCCO 62a_100000033203_100000211941 [0,2,0,0,0,0|1,0,0]=3 23277 B13R0.280 CC(C)(C)SCCCCCCCCO 62a_100000211941_100000033203 [0,2,0,0,0,0|1,0,0]=3 23278 B13R0.280 CC(C)(C)SCCNCCCCCO 2230a_100000689375_100000746330 [0,2,0,0,0,0|2,0,0]=4 23279 B13R0.280 CC(C)(F)CCNCCCCCCF 2230a_100016253952_100015922095 [0,2,0,0,0,0|2,0,0]=4 23280 B13R0.280 CC(C)(F)CCNCCCCCCO 2230a_100016253952_100000766143 [0,2,0,0,0,0|1,0,0]=3 23281 B13R0.280 CC(C)(F)CNCCCCCCCO 2230a_100020643315_100000760002 [0,2,0,0,0,0|1,0,0]=3 23282 B13R0.280 CC(C)(F)CNCCCCCCCO 34a_100011996573_100011997219 [0,2,0,0,0,0|1,0,0]=3 23283 B13R0.280 CC(C)(F)CNCCCOCCCO 34a_100011310245_100011997219 [0,2,0,0,0,0|2,0,0]=4 23284 B13R0.280 CC(C)(F)COCCCCCCCBr 34a_100000760002_100011997219 [0,2,0,0,0,0|2,0,0]=4 23285 B13R0.280 CC(C)(F)COCCCCCCCN 34a_100011996573_100011997219 [0,2,0,0,0,0|2,0,0]=4 23286 B13R0.280 CC(C)(F)COCCCCCCCO 34a_100000716592_100000760002 [0,2,0,0,0,0|1,0,0]=3 23287 B13R0.280 CC(C)(F)CSCCCCCCCO 62a_100000760002_100011997219 [0,2,0,0,0,0|1,0,0]=3 23288 B13R0.280 CC(C)(F)CSCCCCCCCO 62a_100011997219_100000760002 [0,2,0,0,0,0|1,0,0]=3 23289 B13R0.280 CC(C)(O)CCCCCNCCCF 2230a_100015189416_100010402123 [0,2,0,0,0,0|2,0,0]=4 23290 B13R0.280 CC(C)(O)CCCCCNCCCF 34a_100015189416_100010402123 [0,2,0,0,0,0|2,0,0]=4 23291 B13R0.280 CC(C)(O)CCCCCOCCCBr 34a_100011217188_100010402123 [0,2,0,0,0,0|2,0,0]=4 23292 B13R0.280 CC(C)(O)CCCCCOCCCCl 34a_100000230001_100010402123 [0,2,0,0,0,0|2,0,0]=4 23293 B13R0.280 CC(C)(O)CCCCCOCCCF 34a_100000759539_100010402123 [0,2,0,0,0,0|2,0,0]=4 23294 B13R0.280 CC(C)(O)CCCCCOCCCN 34a_100000182051_100010402123 [0,2,0,0,0,0|2,0,0]=4 23295 B13R0.280 CC(C)(O)CCCCCSCCCF 62a_100010402123_100011934791 [0,2,0,0,0,0|2,0,0]=4 23296 B13R0.280 CC(C)(O)CCCCCSCCCF 62a_100011934791_100010402123 [0,2,0,0,0,0|2,0,0]=4 23297 B13R0.280 CC(C)(O)CCCCCSCCCO 62a_100010402123_100011215043 [0,2,0,0,0,0|1,0,0]=3 23298 B13R0.280 CC(C)(O)CCCCCSCCCO 62a_100011215043_100010402123 [0,2,0,0,0,0|1,0,0]=3 23299 B13R0.280 CC(C)(O)CCCNCCCCCO 2230a_100000762737_100009888830 [0,2,0,0,0,0|1,0,0]=3 23300 B13R0.280 CC(C)(O)CCCNCCCCCO 34a_100000762737_100009888830 [0,2,0,0,0,0|1,0,0]=3 23301 B13R0.280 CC(C)(O)CCCNCCOCCO 2230a_100000211614_100009888830 [0,2,0,0,0,0|2,0,0]=4 23302 B13R0.280 CC(C)(O)CCCNCCOCCO 34a_100000211614_100009888830 [0,2,0,0,0,0|2,0,0]=4 23303 B13R0.280 CC(C)(O)CCCNCCSCCO 2230a_100011219999_100009888830 [0,2,0,0,0,0|2,0,0]=4 23304 B13R0.280 CC(C)(O)CCCOCCCCCBr 34a_100000746331_100009888830 [0,2,0,0,0,0|2,0,0]=4 23305 B13R0.280 CC(C)(O)CCCOCCCCCBr 7a_100000746331_100009888830 [0,2,0,0,0,0|2,0,0]=4 23306 B13R0.280 CC(C)(O)CCCOCCCCCCl 34a_100000746330_100009888830 [0,2,0,0,0,0|2,0,0]=4 23307 B13R0.280 CC(C)(O)CCCOCCCCCCl 7a_100000746330_100009888830 [0,2,0,0,0,0|2,0,0]=4 23308 B13R0.280 CC(C)(O)CCCOCCCCCI 34a_200012148887_100009888830 [0,2,0,0,0,0|2,0,0]=4 23309 B13R0.280 CC(C)(O)CCCOCCCCCI 7a_200012148887_100009888830 [0,2,0,0,0,0|2,0,0]=4 23310 B13R0.280 CC(C)(O)CCCOCCCCCN 34a_100000762737_100009888830 [0,2,0,0,0,0|2,0,0]=4 23311 B13R0.280 CC(C)(O)CCCSCCCCCF 62a_100000729378_100009888830 [0,2,0,0,0,0|2,0,0]=4 23312 B13R0.280 CC(C)(O)CCCSCCCCCF 62a_100009888830_100000729378 [0,2,0,0,0,0|2,0,0]=4 23313 B13R0.280 CC(C)(O)CCCSCCCCCO 62a_100000746330_100009888830 [0,2,0,0,0,0|1,0,0]=3 23314 B13R0.280 CC(C)(O)CCCSCCCCCO 62a_100009888830_100000746330 [0,2,0,0,0,0|1,0,0]=3 23315 B13R0.280 CC(C)(O)CCCSCCOCCO 62a_100009888830_100011215305 [0,2,0,0,0,0|2,0,0]=4 23316 B13R0.280 CC(C)(O)CCCSCCOCCO 62a_100011215305_100009888830 [0,2,0,0,0,0|2,0,0]=4 23317 B13R0.280 CC(C)(O)CCNCCCCCCO 2230a_100000686447_100000702414 [0,2,0,0,0,0|1,0,0]=3 23318 B13R0.280 CC(C)(O)CCNCCCCCCO 34a_100000686447_100000702414 [0,2,0,0,0,0|1,0,0]=3 23319 B13R0.280 CC(C)(O)CCOCCCCCCBr 34a_100011215345_100000702414 [0,2,0,0,0,0|2,0,0]=4 23320 B13R0.280 CC(C)(O)CCOCCCCCCBr 7a_100011215345_100000702414 [0,2,0,0,0,0|2,0,0]=4 23321 B13R0.280 CC(C)(O)CCOCCCCCCCl 34a_100000766143_100000702414 [0,2,0,0,0,0|2,0,0]=4 23322 B13R0.280 CC(C)(O)CCOCCCCCCCl 7a_100000766143_100000702414 [0,2,0,0,0,0|2,0,0]=4 23323 B13R0.280 CC(C)(O)CCOCCCCCCF 34a_100000732779_100000702414 [0,2,0,0,0,0|2,0,0]=4 23324 B13R0.280 CC(C)(O)CCOCCCCCCF 7a_100000732779_100000702414 [0,2,0,0,0,0|2,0,0]=4 23325 B13R0.280 CC(C)(O)CCOCCCCCCN 34a_100000686447_100000702414 [0,2,0,0,0,0|2,0,0]=4 23326 B13R0.280 CC(C)(O)CCSCCCCCCF 62a_100000702414_100015922095 [0,2,0,0,0,0|2,0,0]=4 23327 B13R0.280 CC(C)(O)CCSCCCCCCF 62a_100015922095_100000702414 [0,2,0,0,0,0|2,0,0]=4 23328 B13R0.280 CC(C)(O)CCSCCCCCCO 62a_100000702414_100000766143 [0,2,0,0,0,0|1,0,0]=3 23329 B13R0.280 CC(C)(O)CCSCCCCCCO 62a_100000766143_100000702414 [0,2,0,0,0,0|1,0,0]=3 23330 B13R0.280 CC(C)(O)CNCCCCCCCO 2230a_100000751335_100000760002 [0,2,0,0,0,0|1,0,0]=3 23331 B13R0.280 CC(C)(O)CNCCCCCCCO 34a_100011996573_100000764493 [0,2,0,0,0,0|1,0,0]=3 23332 B13R0.280 CC(C)(O)CNCCCOCCCO 34a_100011310245_100000764493 [0,2,0,0,0,0|2,0,0]=4 23333 B13R0.280 CC(C)(O)COCCCCCCCBr 34a_100000760002_100000764493 [0,2,0,0,0,0|2,0,0]=4 23334 B13R0.280 CC(C)(O)COCCCCCCCBr 7a_100000760002_100000764493 [0,2,0,0,0,0|2,0,0]=4 23335 B13R0.280 CC(C)(O)COCCCCCCCN 34a_100011996573_100000764493 [0,2,0,0,0,0|2,0,0]=4 23336 B13R0.280 CC(C)(O)CSCCCCCCCO 62a_100000760002_100000764493 [0,2,0,0,0,0|1,0,0]=3 23337 B13R0.280 CC(C)(O)CSCCCCCCCO 62a_100000764493_100000760002 [0,2,0,0,0,0|1,0,0]=3 23338 B13R0.280 CC(F)(F)COCCCCCCCO 34a_100000068830_100000760002 [0,2,0,0,0,0|1,0,0]=3 23339 B13R0.280 CCCCCCCCCNC(C)(C)C 2230a_100000715429_100011214924 [0,2,0,0,0,0|2,0,0]=4 23340 B13R0.280 CCCCCCCCCNC(C)(C)C 34a_100000212291_100000210625 [0,2,0,0,0,0|2,0,0]=4 23341 B13R0.280 CCCCCCCCCNC(F)(F)F 34a_100000212291_200103152311 [0,2,0,0,0,0|2,0,0]=4 23342 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100000210712_100000210625 [0,2,0,0,0,0|2,0,0]=4 23343 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100015890283_100011214924 [0,2,0,0,0,0|2,0,0]=4 23344 B13R0.280 CCCCCCCCCOC(C)(C)C 7a_100015890283_100000210328 [0,2,0,0,0,0|2,0,0]=4 23345 B13R0.280 CCCCCCCCCOC(F)(F)F 34a_100000210712_200103152311 [0,2,0,0,0,0|2,0,0]=4 23346 B13R0.280 CCCCCCCCCOC(F)(F)F 7a_100000210712_200000243211 [0,2,0,0,0,0|2,0,0]=4 23347 B13R0.280 CCCCCCCCCSC(C)(C)C 62a_100000211941_100000210670 [0,2,0,0,0,0|2,0,0]=4 23348 B13R0.280 CCCCCCCCCSC(F)(F)F 62a_200000243211_100000210670 [0,2,0,0,0,0|2,0,0]=4 23349 B13R0.280 CCCCCCCCNCC(C)(C)C 2230a_100000743828_100000210759 [0,2,0,0,0,0|2,0,0]=4 23350 B13R0.280 CCCCCCCCNCC(C)(C)C 270004a_100000229939_100011204126 [0,2,0,0,0,0|2,0,0]=4 23351 B13R0.280 CCCCCCCCNCC(C)(C)C 34a_100000229939_100011219605 [0,2,0,0,0,0|2,0,0]=4 23352 B13R0.280 CCCCCCCCNCC(C)(C)F 2230a_100020643315_100000210759 [0,2,0,0,0,0|2,0,0]=4 23353 B13R0.280 CCCCCCCCNCC(C)(C)F 34a_100000229939_100011997219 [0,2,0,0,0,0|2,0,0]=4 23354 B13R0.280 CCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210759 [0,2,0,0,0,0|1,0,0]=3 23355 B13R0.280 CCCCCCCCNCC(C)(C)O 34a_100000229939_100000764493 [0,2,0,0,0,0|1,0,0]=3 23356 B13R0.280 CCCCCCCCNCC(F)(F)F 2230a_100000229939_100000763148 [0,2,0,0,0,0|2,0,0]=4 23357 B13R0.280 CCCCCCCCNCC(F)(F)F 34a_100000717047_100000210759 [0,2,0,0,0,0|2,0,0]=4 23358 B13R0.280 CCCCCCCCOCC(C)(C)C 34a_100000210232_100011219605 [0,2,0,0,0,0|2,0,0]=4 23359 B13R0.280 CCCCCCCCOCC(C)(C)F 34a_100000210232_100011997219 [0,2,0,0,0,0|2,0,0]=4 23360 B13R0.280 CCCCCCCCOCC(C)(C)F 34a_100000716592_100000210759 [0,2,0,0,0,0|2,0,0]=4 23361 B13R0.280 CCCCCCCCOCC(C)(C)O 34a_100000210232_100000764493 [0,2,0,0,0,0|1,0,0]=3 23362 B13R0.280 CCCCCCCCOCC(C)(C)O 7a_100000210232_100000764493 [0,2,0,0,0,0|1,0,0]=3 23363 B13R0.280 CCCCCCCCOCC(C)(F)F 34a_100000068830_100000210759 [0,2,0,0,0,0|2,0,0]=4 23364 B13R0.280 CCCCCCCCOCC(F)(F)Br 34a_100011217949_100000210759 [0,2,0,0,0,0|2,0,0]=4 23365 B13R0.280 CCCCCCCCOCC(F)(F)Cl 34a_100000734434_100000210759 [0,2,0,0,0,0|2,0,0]=4 23366 B13R0.280 CCCCCCCCOCC(F)(F)F 34a_100000210435_100000210759 [0,2,0,0,0,0|2,0,0]=4 23367 B13R0.280 CCCCCCCCSCC(C)(C)C 62a_100000210759_100011219605 [0,2,0,0,0,0|2,0,0]=4 23368 B13R0.280 CCCCCCCCSCC(C)(C)C 62a_100011219605_100000210317 [0,2,0,0,0,0|2,0,0]=4 23369 B13R0.280 CCCCCCCCSCC(C)(C)F 62a_100000210759_100011997219 [0,2,0,0,0,0|2,0,0]=4 23370 B13R0.280 CCCCCCCCSCC(C)(C)F 62a_100011997219_100000210317 [0,2,0,0,0,0|2,0,0]=4 23371 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000210759_100000764493 [0,2,0,0,0,0|1,0,0]=3 23372 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000764493_100000210317 [0,2,0,0,0,0|1,0,0]=3 23373 B13R0.280 CCCCCCCCSCC(F)(F)F 62a_100000210759_100000763148 [0,2,0,0,0,0|2,0,0]=4 23374 B13R0.280 CCCCCCCCSCC(F)(F)F 62a_100000763148_100000210317 [0,2,0,0,0,0|2,0,0]=4 23375 B13R0.280 CCCCCCCNCCC(C)(C)C 2230a_100000229938_100000755188 [0,2,0,0,0,0|2,0,0]=4 23376 B13R0.280 CCCCCCCNCCC(C)(C)C 2230a_100000738805_100000210681 [0,2,0,0,0,0|2,0,0]=4 23377 B13R0.280 CCCCCCCNCCC(C)(C)F 2230a_100016253952_100000210681 [0,2,0,0,0,0|2,0,0]=4 23378 B13R0.280 CCCCCCCNCCC(C)(C)O 2230a_100000229938_100000702414 [0,2,0,0,0,0|1,0,0]=3 23379 B13R0.280 CCCCCCCNCCC(F)(F)F 2230a_100000740434_100000210681 [0,2,0,0,0,0|2,0,0]=4 23380 B13R0.280 CCCCCCCNCCC(F)(F)F 34a_100000740434_100000210614 [0,2,0,0,0,0|2,0,0]=4 23381 B13R0.280 CCCCCCCOCCC(C)(C)C 34a_100000210272_100000755188 [0,2,0,0,0,0|2,0,0]=4 23382 B13R0.280 CCCCCCCOCCC(C)(C)C 7a_100000210272_100000755188 [0,2,0,0,0,0|2,0,0]=4 23383 B13R0.280 CCCCCCCOCCC(C)(C)C 7a_100000765024_100000210614 [0,2,0,0,0,0|2,0,0]=4 23384 B13R0.280 CCCCCCCOCCC(C)(C)O 34a_100000210272_100000702414 [0,2,0,0,0,0|1,0,0]=3 23385 B13R0.280 CCCCCCCOCCC(C)(C)O 7a_100000210272_100000702414 [0,2,0,0,0,0|1,0,0]=3 23386 B13R0.280 CCCCCCCOCCC(F)(F)F 34a_100000210272_100011219754 [0,2,0,0,0,0|2,0,0]=4 23387 B13R0.280 CCCCCCCOCCC(F)(F)F 34a_100000752437_100000210614 [0,2,0,0,0,0|2,0,0]=4 23388 B13R0.280 CCCCCCCOCCC(F)(F)F 7a_100000210272_100011219754 [0,2,0,0,0,0|2,0,0]=4 23389 B13R0.280 CCCCCCCSCCC(C)(C)C 62a_100000210614_100000755188 [0,2,0,0,0,0|2,0,0]=4 23390 B13R0.280 CCCCCCCSCCC(C)(C)C 62a_100000755188_100000210316 [0,2,0,0,0,0|2,0,0]=4 23391 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000210614_100000702414 [0,2,0,0,0,0|1,0,0]=3 23392 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000702414_100000210316 [0,2,0,0,0,0|1,0,0]=3 23393 B13R0.280 CCCCCCCSCCC(F)(F)F 62a_100000210614_100011219754 [0,2,0,0,0,0|2,0,0]=4 23394 B13R0.280 CCCCCCCSCCC(F)(F)F 62a_100011219754_100000210316 [0,2,0,0,0,0|2,0,0]=4 23395 B13R0.280 CCCCCCNCCCC(C)(C)O 2230a_100000210581_100009888830 [0,2,0,0,0,0|1,0,0]=3 23396 B13R0.280 CCCCCCNCCCC(F)(F)F 2230a_100000210581_100011215983 [0,2,0,0,0,0|2,0,0]=4 23397 B13R0.280 CCCCCCNCCCC(F)(F)F 2230a_100000727188_100000210314 [0,2,0,0,0,0|2,0,0]=4 23398 B13R0.280 CCCCCCNCCCC(F)(F)F 34a_100000727188_100000210314 [0,2,0,0,0,0|2,0,0]=4 23399 B13R0.280 CCCCCCOCCCC(C)(C)O 34a_100000210259_100009888830 [0,2,0,0,0,0|1,0,0]=3 23400 B13R0.280 CCCCCCOCCCC(C)(C)O 7a_100000210259_100009888830 [0,2,0,0,0,0|1,0,0]=3 23401 B13R0.280 CCCCCCOCCCC(F)(F)F 34a_100000210259_100011215983 [0,2,0,0,0,0|2,0,0]=4 23402 B13R0.280 CCCCCCOCCCC(F)(F)F 34a_100000749235_100000210314 [0,2,0,0,0,0|2,0,0]=4 23403 B13R0.280 CCCCCCOCCCC(F)(F)F 7a_100000210259_100011216173 [0,2,0,0,0,0|2,0,0]=4 23404 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100000210314_100009888830 [0,2,0,0,0,0|1,0,0]=3 23405 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100009888830_100000210757 [0,2,0,0,0,0|1,0,0]=3 23406 B13R0.280 CCCCCCSCCCC(F)(F)F 62a_100000210314_100011216173 [0,2,0,0,0,0|2,0,0]=4 23407 B13R0.280 CCCCCCSCCCC(F)(F)F 62a_100011216173_100000210757 [0,2,0,0,0,0|2,0,0]=4 23408 B13R0.280 CCCCCNCCCCC(F)(F)F 2230a_100000209983_100000692467 [0,2,0,0,0,0|2,0,0]=4 23409 B13R0.280 CCCCCNCCOCC(C)(C)O 34a_100000224656_100000764493 [0,2,0,0,0,0|2,0,0]=4 23410 B13R0.280 CCCCCOCCCCC(F)(F)F 34a_100000210253_100000692467 [0,2,0,0,0,0|2,0,0]=4 23411 B13R0.280 CCCCCOCCCCC(F)(F)F 34a_100000749236_100000718602 [0,2,0,0,0,0|2,0,0]=4 23412 B13R0.280 CCCCCOCCCCC(F)(F)F 7a_100000210253_100000692467 [0,2,0,0,0,0|2,0,0]=4 23413 B13R0.280 CCCCCOCCCCC(F)(F)F 7a_100000749236_100000210326 [0,2,0,0,0,0|2,0,0]=4 23414 B13R0.280 CCCCCOCCOCC(C)(C)O 34a_100011215259_100000764493 [0,2,0,0,0,0|2,0,0]=4 23415 B13R0.280 CCCCCOCCOCC(C)(C)O 7a_100011215259_100000764493 [0,2,0,0,0,0|2,0,0]=4 23416 B13R0.280 CCCCCSCCCCC(F)(F)F 62a_100000210326_100000692467 [0,2,0,0,0,0|2,0,0]=4 23417 B13R0.280 CCCCCSCCCCC(F)(F)F 62a_100000692467_100000210326 [0,2,0,0,0,0|2,0,0]=4 23418 B13R0.280 CCCCNCCCCCC(C)(C)O 2230a_100000102301_100010402123 [0,2,0,0,0,0|1,0,0]=3 23419 B13R0.280 CCCCNCCCCCC(C)(C)O 7a_106832991798_100010402123 [0,2,0,0,0,0|1,0,0]=3 23420 B13R0.280 CCCCNCCCCCC(F)(F)F 2230a_100000102301_100010187589 [0,2,0,0,0,0|2,0,0]=4 23421 B13R0.280 CCCCNCCCCCC(F)(F)F 7a_106832991798_100010187589 [0,2,0,0,0,0|2,0,0]=4 23422 B13R0.280 CCCCOCCCCCC(C)(C)O 34a_100000210227_100010402123 [0,2,0,0,0,0|1,0,0]=3 23423 B13R0.280 CCCCOCCCCCC(C)(C)O 7a_100000210227_100010402123 [0,2,0,0,0,0|1,0,0]=3 23424 B13R0.280 CCCCOCCCCCC(F)(F)F 34a_100000210227_100010187589 [0,2,0,0,0,0|2,0,0]=4 23425 B13R0.280 CCCCOCCCCCC(F)(F)F 7a_100000210227_100010187589 [0,2,0,0,0,0|2,0,0]=4 23426 B13R0.280 CCCCOCCCNCC(C)(C)O 34a_200000211371_100000764493 [0,2,0,0,0,0|2,0,0]=4 23427 B13R0.280 CCCCOCCCOCC(C)(C)O 34a_200011215613_100000764493 [0,2,0,0,0,0|2,0,0]=4 23428 B13R0.280 CCCCOCCCOCC(C)(C)O 7a_200011215613_100000764493 [0,2,0,0,0,0|2,0,0]=4 23429 B13R0.280 CCCCOCCOCCC(C)(C)O 34a_100000210238_100000702414 [0,2,0,0,0,0|2,0,0]=4 23430 B13R0.280 CCCCOCCOCCC(C)(C)O 7a_100000210238_100000702414 [0,2,0,0,0,0|2,0,0]=4 23431 B13R0.280 CCCCOCCSCCC(C)(C)O 62a_100000702414_100000743108 [0,2,0,0,0,0|2,0,0]=4 23432 B13R0.280 CCCCOCCSCCC(C)(C)O 62a_100000743108_100000702414 [0,2,0,0,0,0|2,0,0]=4 23433 B13R0.280 CCCCOCSCCCC(C)(C)O 62a_100009888830_100011995733 [0,2,0,0,0,0|2,0,0]=4 23434 B13R0.280 CCCCOCSCCCC(C)(C)O 62a_100011995733_100009888830 [0,2,0,0,0,0|2,0,0]=4 23435 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100000210211_100010402123 [0,2,0,0,0,0|1,0,0]=3 23436 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100010402123_100000210210 [0,2,0,0,0,0|1,0,0]=3 23437 B13R0.280 CCCCSCCCCCC(F)(F)F 62a_100000210211_100010187589 [0,2,0,0,0,0|2,0,0]=4 23438 B13R0.280 CCCCSCCCCCC(F)(F)F 62a_100010187589_100000210210 [0,2,0,0,0,0|2,0,0]=4 23439 B13R0.280 CCCCSCCNCCC(C)(C)O 2230a_100025743550_100000702414 [0,2,0,0,0,0|2,0,0]=4 23440 B13R0.280 CCCCSCCOCCC(C)(C)O 34a_200000230436_100000702414 [0,2,0,0,0,0|2,0,0]=4 23441 B13R0.280 CCCCSCCOCCC(C)(C)O 7a_200000230436_100000702414 [0,2,0,0,0,0|2,0,0]=4 23442 B13R0.280 CCCOCCCNCCC(C)(C)O 2230a_100011217757_100000702414 [0,2,0,0,0,0|2,0,0]=4 23443 B13R0.280 CCCOCCCNCCC(C)(C)O 34a_100011217757_100000702414 [0,2,0,0,0,0|2,0,0]=4 23444 B13R0.280 CCCOCCNCCCC(C)(C)O 2230a_100161115042_100009888830 [0,2,0,0,0,0|2,0,0]=4 23445 B13R0.280 CCCOCCNCCCC(C)(C)O 34a_100161115042_100009888830 [0,2,0,0,0,0|2,0,0]=4 23446 B13R0.280 CCCOCCOCCCC(C)(C)O 34a_100000752267_100009888830 [0,2,0,0,0,0|2,0,0]=4 23447 B13R0.280 CCCOCCOCCCC(C)(C)O 7a_100000752267_100009888830 [0,2,0,0,0,0|2,0,0]=4 23448 B13R0.280 CCCOCCSCCCC(C)(C)O 62a_100009888830_100011215938 [0,2,0,0,0,0|2,0,0]=4 23449 B13R0.280 CCCOCCSCCCC(C)(C)O 62a_100011215938_100009888830 [0,2,0,0,0,0|2,0,0]=4 23450 B13R0.280 CCCSCCNCCCC(C)(C)O 2230a_100020603323_100009888830 [0,2,0,0,0,0|2,0,0]=4 23451 B13R0.280 CCCSCCOCCCC(C)(C)O 34a_200000230433_100009888830 [0,2,0,0,0,0|2,0,0]=4 23452 B13R0.280 CCCSCCOCCCC(C)(C)O 7a_200000230433_100009888830 [0,2,0,0,0,0|2,0,0]=4 23453 B13R0.280 CCOCCCNCCCC(C)(C)O 2230a_100000210961_100009888830 [0,2,0,0,0,0|2,0,0]=4 23454 B13R0.280 CCOCCCNCCCC(C)(C)O 34a_100000210961_100009888830 [0,2,0,0,0,0|2,0,0]=4 23455 B13R0.280 CCOCCCOCCCC(C)(C)O 34a_100000757476_100009888830 [0,2,0,0,0,0|2,0,0]=4 23456 B13R0.280 CCOCCCOCCCC(C)(C)O 7a_100000757476_100009888830 [0,2,0,0,0,0|2,0,0]=4 23457 B13R0.280 CCOCCCSCCCC(C)(C)O 62a_100009888830_100012232248 [0,2,0,0,0,0|2,0,0]=4 23458 B13R0.280 CCOCCCSCCCC(C)(C)O 62a_100012232248_100009888830 [0,2,0,0,0,0|2,0,0]=4 23459 B13R0.280 CCOCSCCCCCC(C)(C)O 62a_100000739092_100010402123 [0,2,0,0,0,0|2,0,0]=4 23460 B13R0.280 CCOCSCCCCCC(C)(C)O 62a_100010402123_100000739092 [0,2,0,0,0,0|2,0,0]=4 23461 B13R0.280 CCSCCCOCCCC(C)(C)O 34a_100011216438_100009888830 [0,2,0,0,0,0|2,0,0]=4 23462 B13R0.280 CCSCCCOCCCC(C)(C)O 7a_100011216438_100009888830 [0,2,0,0,0,0|2,0,0]=4 23463 B13R0.280 CNCCCCCOCCC(C)(C)O 34a_100000722520_100000702414 [0,2,0,0,0,0|2,0,0]=4 23464 B13R0.280 COCCCCCCNCC(C)(C)O 2230a_100000751335_100011998445 [0,2,0,0,0,0|2,0,0]=4 23465 B13R0.280 COCCCCCCOCC(C)(C)O 34a_200012092642_100000764493 [0,2,0,0,0,0|2,0,0]=4 23466 B13R0.280 COCCCCCCOCC(C)(C)O 7a_200012092642_100000764493 [0,2,0,0,0,0|2,0,0]=4 23467 B13R0.280 COCCCCCCSCC(C)(C)O 62a_100000764493_100011998445 [0,2,0,0,0,0|2,0,0]=4 23468 B13R0.280 COCCCCCCSCC(C)(C)O 62a_100011998445_100000764493 [0,2,0,0,0,0|2,0,0]=4 23469 B13R0.280 COCCCCCNCCC(C)(C)O 2230a_100000747528_100000702414 [0,2,0,0,0,0|2,0,0]=4 23470 B13R0.280 COCCCCCNCCC(C)(C)O 34a_100000747528_100000702414 [0,2,0,0,0,0|2,0,0]=4 23471 B13R0.280 COCCCCOCCCC(C)(C)O 34a_100000740925_100009888830 [0,2,0,0,0,0|2,0,0]=4 23472 B13R0.280 COCCCCSCCCC(C)(C)O 62a_100000730899_100009888830 [0,2,0,0,0,0|2,0,0]=4 23473 B13R0.280 COCCCCSCCCC(C)(C)O 62a_100009888830_100000730899 [0,2,0,0,0,0|2,0,0]=4 23474 B13R0.280 COCCNCCCCCC(C)(C)O 2230a_100000209980_100010402123 [0,2,0,0,0,0|2,0,0]=4 23475 B13R0.280 COCCOCCCCCC(C)(C)O 34a_100000210237_100010402123 [0,2,0,0,0,0|2,0,0]=4 23476 B13R0.280 COCCSCCCCCC(C)(C)O 62a_100000233755_100010402123 [0,2,0,0,0,0|2,0,0]=4 23477 B13R0.280 COCCSCCCCCC(C)(C)O 62a_100010402123_100000233755 [0,2,0,0,0,0|2,0,0]=4 23478 B13R0.280 CS(=O)(=O)CCCNCCCCCO 2230a_100000742409_100000746330 [0,2,0,0,0,0|2,0,0]=4 23479 B13R0.280 CS(=O)(=O)CCCNCCCCCO 2230a_100000762737_100000754308 [0,2,0,0,0,0|2,0,0]=4 23480 B13R0.280 CS(=O)(=O)CCCNCCCCCO 34a_100000742409_100000746330 [0,2,0,0,0,0|2,0,0]=4 23481 B13R0.280 CS(=O)(=O)CCCNCCCCCO 34a_100000762737_100000754308 [0,2,0,0,0,0|2,0,0]=4 23482 B13R0.280 CS(=O)(=O)CCCOCCCCCO 34a_100000689940_100000746330 [0,2,0,0,0,0|2,0,0]=4 23483 B13R0.280 CS(=O)(=O)CCCOCCCCCO 7a_100000689940_100000746330 [0,2,0,0,0,0|2,0,0]=4 23484 B13R0.280 CS(=O)(=O)CCCSCCCCCO 62a_100000746330_100000754308 [0,2,0,0,0,0|2,0,0]=4 23485 B13R0.280 CS(=O)(=O)CCCSCCCCCO 62a_100000754308_100000746330 [0,2,0,0,0,0|2,0,0]=4 23486 B13R0.280 CS(=O)(=O)CCNCCCCCCO 2230a_100000686447_100000731031 [0,2,0,0,0,0|2,0,0]=4 23487 B13R0.280 CS(=O)(=O)CCNCCCCCCO 2230a_100000740961_100000766143 [0,2,0,0,0,0|2,0,0]=4 23488 B13R0.280 CS(=O)(=O)CCNCCCCCCO 34a_100000686447_100000731031 [0,2,0,0,0,0|2,0,0]=4 23489 B13R0.280 CS(=O)(=O)CCNCCCCCCO 34a_100000740961_100000766143 [0,2,0,0,0,0|2,0,0]=4 23490 B13R0.280 CS(=O)(=O)CCOCCCCCCO 34a_100000211924_100000766143 [0,2,0,0,0,0|2,0,0]=4 23491 B13R0.280 CS(=O)(=O)CCOCCCCCCO 7a_100000211924_100000766143 [0,2,0,0,0,0|2,0,0]=4 23492 B13R0.280 CS(=O)(=O)CCSCCCCCCO 62a_100000731031_100000766143 [0,2,0,0,0,0|2,0,0]=4 23493 B13R0.280 CS(=O)(=O)CCSCCCCCCO 62a_100000766143_100000230027 [0,2,0,0,0,0|2,0,0]=4 23494 B13R0.280 CS(=O)(=O)NCCCCCCCCO 40a_102515433106_100000738038 [0,2,0,0,0,0|2,0,0]=4 23495 B13R0.280 CSCCCCOCCCC(C)(C)O 34a_100011217163_100009888830 [0,2,0,0,0,0|2,0,0]=4 23496 B13R0.280 CSCCCCOCCCC(C)(C)O 7a_100011217163_100009888830 [0,2,0,0,0,0|2,0,0]=4 23497 B13R0.280 CSCCNCCCCCC(C)(C)O 2230a_100020590264_100010402123 [0,2,0,0,0,0|2,0,0]=4 23498 B13R0.280 CSCCOCCCCCC(C)(C)O 34a_100000230434_100010402123 [0,2,0,0,0,0|2,0,0]=4 23499 B13R0.280 CSCCOCCCCCC(C)(C)O 7a_100000230434_100010402123 [0,2,0,0,0,0|2,0,0]=4 23500 B13R0.280 CSCCSCCCCCC(C)(C)O 62a_100000212216_100010402123 [0,2,0,0,0,0|2,0,0]=4 23501 B13R0.280 CSCCSCCCCCC(C)(C)O 62a_100010402123_100000751147 [0,2,0,0,0,0|2,0,0]=4 23502 B13R0.280 C[N+](C)(C)CCCCCCNCCO 2230a_100016997473_100009996864 [0,2,0,0,0,0|2,0,0]=4 23503 B13R0.280 C[N+](C)(C)CCCCCCNCCO 34a_100016990907_100009996864 [0,2,0,0,0,0|2,0,0]=4 23504 B13R0.280 C[N+](C)(C)CCCCCCSCCO 62a_100000211926_100009996864 [0,2,0,0,0,0|2,0,0]=4 23505 B13R0.280 C[N+](C)(C)CCCCCCSCCO 62a_100009996864_100000211926 [0,2,0,0,0,0|2,0,0]=4 23506 B13R0.280 C[N+](C)(C)CCCCCSCCCO 62a_100009813293_100011215043 [0,2,0,0,0,0|2,0,0]=4 23507 B13R0.280 C[N+](C)(C)CCCCCSCCCO 62a_100011215043_100009813293 [0,2,0,0,0,0|2,0,0]=4 23508 B13R0.280 C[N+](C)(C)CCCNCCCCCO 2230a_100000762737_100016990835 [0,2,0,0,0,0|2,0,0]=4 23509 B13R0.280 C[N+](C)(C)CCCNCCCCCO 34a_100000762737_100016990835 [0,2,0,0,0,0|2,0,0]=4 23510 B13R0.280 C[N+](C)(C)CCCSCCCCCO 62a_100000746330_100016990835 [0,2,0,0,0,0|2,0,0]=4 23511 B13R0.280 C[N+](C)(C)CCCSCCCCCO 62a_100016990835_100000746330 [0,2,0,0,0,0|2,0,0]=4 23512 B13R0.280 C[N+](C)(C)CCNCCCCCCO 34a_100000686447_100000085578 [0,2,0,0,0,0|2,0,0]=4 23513 B13R0.280 C[N+](C)(C)CCOCCCCCCO 7a_200020618287_100000766143 [0,2,0,0,0,0|2,0,0]=4 23514 B13R0.280 C[N+](C)(C)CCSCCCCCCO 62a_100000085578_100000766143 [0,2,0,0,0,0|2,0,0]=4 23515 B13R0.280 C[N+](C)(C)CCSCCCCCCO 62a_100000766143_100000085578 [0,2,0,0,0,0|2,0,0]=4 23516 B13R0.280 C[N+](C)(C)CSCCCCCCCO 62a_100000760002_200000036245 [0,2,0,0,0,0|2,0,0]=4 23517 B13R0.280 C[N+](C)(C)CSCCCCCCCO 62a_200000036245_100000760002 [0,2,0,0,0,0|2,0,0]=4 23518 B13R0.280 C[Si](C)(C)CCCCOCCCCO 7a_200009881916_100000210776 [0,2,0,0,0,0|1,1,0]=4 23519 B13R0.280 C[Si](C)(C)CCCNCCCCCO 2230a_100000762737_100011219597 [0,2,0,0,0,0|1,1,0]=4 23520 B13R0.280 C[Si](C)(C)CCCNCCCCCO 34a_100000762737_100011219597 [0,2,0,0,0,0|1,1,0]=4 23521 B13R0.280 C[Si](C)(C)CCCOCCCCCO 7a_200011215415_100000746330 [0,2,0,0,0,0|1,1,0]=4 23522 B13R0.280 C[Si](C)(C)CCCSCCCCCO 62a_100000746330_100011219597 [0,2,0,0,0,0|1,1,0]=4 23523 B13R0.280 C[Si](C)(C)CCCSCCCCCO 62a_100011219597_100000746330 [0,2,0,0,0,0|1,1,0]=4 23524 B13R0.280 C[Si](C)(C)CCNCCCCCCO 2230a_100000686447_200000733723 [0,2,0,0,0,0|1,1,0]=4 23525 B13R0.280 C[Si](C)(C)CCNCCCCCCO 34a_100000686447_200000733723 [0,2,0,0,0,0|1,1,0]=4 23526 B13R0.280 C[Si](C)(C)CCOCCCCCCO 7a_100000039746_100000766143 [0,2,0,0,0,0|1,1,0]=4 23527 B13R0.280 C[Si](C)(C)CCSCCCCCCO 62a_100000766143_200000733723 [0,2,0,0,0,0|1,1,0]=4 23528 B13R0.280 C[Si](C)(C)CCSCCCCCCO 62a_200000733723_100000766143 [0,2,0,0,0,0|1,1,0]=4 23529 B13R0.280 C[Si](C)(C)CNCCCCCCCO 2230a_100011996573_100000037933 [0,2,0,0,0,0|1,1,0]=4 23530 B13R0.280 C[Si](C)(C)CSCCCCCCCO 62a_100000037933_100000760002 [0,2,0,0,0,0|1,1,0]=4 23531 B13R0.280 C[Si](C)(C)CSCCCCCCCO 62a_100000760002_100000037933 [0,2,0,0,0,0|1,1,0]=4 23532 B13R0.280 OCCCCCCCCNC(F)(F)F 34a_102515433106_200103152311 [0,2,0,0,0,0|2,0,0]=4 23533 B13R0.280 OCCCCCCCCSC(F)(F)F 62a_100000033203_200103152311 [0,2,0,0,0,0|2,0,0]=4 23534 B13R0.280 OCCCCCCCCSC(F)(F)F 62a_200000243211_100000033203 [0,2,0,0,0,0|2,0,0]=4 23535 B13R0.280 OCCCCCCCNCC(F)(F)F 2230a_100011996573_100000763148 [0,2,0,0,0,0|2,0,0]=4 23536 B13R0.280 OCCCCCCCNCC(F)(F)F 34a_100000717047_100000760002 [0,2,0,0,0,0|2,0,0]=4 23537 B13R0.280 OCCCCCCCOCC(F)(F)Br 34a_100011217949_100000760002 [0,2,0,0,0,0|2,0,0]=4 23538 B13R0.280 OCCCCCCCOCC(F)(F)Cl 34a_100000734434_100000760002 [0,2,0,0,0,0|2,0,0]=4 23539 B13R0.280 OCCCCCCCOCC(F)(F)F 34a_100000210435_100000760002 [0,2,0,0,0,0|2,0,0]=4 23540 B13R0.280 OCCCCCCCSCC(F)(F)F 62a_100000760002_100000763148 [0,2,0,0,0,0|2,0,0]=4 23541 B13R0.280 OCCCCCCCSCC(F)(F)F 62a_100000763148_100000760002 [0,2,0,0,0,0|2,0,0]=4 23542 B13R0.280 OCCCCCCNCCC(F)(F)F 2230a_100000740434_100000766143 [0,2,0,0,0,0|2,0,0]=4 23543 B13R0.280 OCCCCCCNCCC(F)(F)F 34a_100000686447_100011219754 [0,2,0,0,0,0|2,0,0]=4 23544 B13R0.280 OCCCCCCNCCC(F)(F)F 34a_100000740434_100000766143 [0,2,0,0,0,0|2,0,0]=4 23545 B13R0.280 OCCCCCCOCCC(F)(F)F 34a_100000752437_100000766143 [0,2,0,0,0,0|2,0,0]=4 23546 B13R0.280 OCCCCCCSCCC(F)(F)F 62a_100000766143_100011219754 [0,2,0,0,0,0|2,0,0]=4 23547 B13R0.280 OCCCCCCSCCC(F)(F)F 62a_100011219754_100000766143 [0,2,0,0,0,0|2,0,0]=4 23548 B13R0.280 OCCCCCNCCCC(F)(F)F 2230a_100000727188_100000746330 [0,2,0,0,0,0|2,0,0]=4 23549 B13R0.280 OCCCCCNCCCC(F)(F)F 2230a_100000762737_100011215983 [0,2,0,0,0,0|2,0,0]=4 23550 B13R0.280 OCCCCCNCCCC(F)(F)F 34a_100000727188_100000746330 [0,2,0,0,0,0|2,0,0]=4 23551 B13R0.280 OCCCCCNCCCC(F)(F)F 34a_100000762737_100011215983 [0,2,0,0,0,0|2,0,0]=4 23552 B13R0.280 OCCCCCOCCCC(F)(F)F 34a_100000749235_100000746330 [0,2,0,0,0,0|2,0,0]=4 23553 B13R0.280 OCCCCCSCCCC(F)(F)F 62a_100000746330_100011216173 [0,2,0,0,0,0|2,0,0]=4 23554 B13R0.280 OCCCCCSCCCC(F)(F)F 62a_100011216173_100000746330 [0,2,0,0,0,0|2,0,0]=4 23555 B13R0.280 OCCCCNCCCCC(F)(F)F 2230a_100000750430_100000692467 [0,2,0,0,0,0|2,0,0]=4 23556 B13R0.280 OCCCCNCCCCC(F)(F)F 34a_100000750430_100000692467 [0,2,0,0,0,0|2,0,0]=4 23557 B13R0.280 OCCCCOCCCCC(F)(F)F 34a_100000749236_100011216708 [0,2,0,0,0,0|2,0,0]=4 23558 B13R0.280 OCCCCOCCCCC(F)(F)F 7a_100000749236_100000210776 [0,2,0,0,0,0|2,0,0]=4 23559 B13R0.280 OCCCCSCCCCC(F)(F)F 62a_100000210776_100000692467 [0,2,0,0,0,0|2,0,0]=4 23560 B13R0.280 OCCCCSCCCCC(F)(F)F 62a_100000692467_100000210776 [0,2,0,0,0,0|2,0,0]=4 23561 B13R0.280 OCCCSCCCCCC(F)(F)F 62a_100010187589_100011215043 [0,2,0,0,0,0|2,0,0]=4 23562 B13R0.280 OCCCSCCCCCC(F)(F)F 62a_100011215043_100010187589 [0,2,0,0,0,0|2,0,0]=4 23563 B13R0.201 CCC(C)CCCCCOC(C)CC 7a_200000035636_100000758301 [0,2,0,0,0,0|2,0,0]=4 23564 B13R0.201 CCC(C)CCCCCOC(C)CO 7a_200000035636_100012180447 [0,2,0,0,0,0|1,0,0]=3 23565 B13R0.201 CCN(C)CCCNCCC(C)CO 2230a_106354213184_100015186262 [0,2,0,0,0,0|2,0,0]=4 23566 B13R0.412 C#CC(CC)OCCCCCCCC 34a_100000758843_100000210759 [0,2,0,0,0,0|2,0,0]=4 23567 B13R0.412 C#CC(CC)OCCCCCCCC 7a_100000758843_100000210759 [0,2,0,0,0,0|2,0,0]=4 23568 B13R0.412 C#CC(CC)OCCCCCCCO 34a_100000758843_100000760002 [0,2,0,0,0,0|1,0,0]=3 23569 B13R0.412 C#CC(CC)OCCCCCCCO 7a_100000758843_100000760002 [0,2,0,0,0,0|1,0,0]=3 23570 B13R0.412 C=CC(CC)OCCCCCCCC 34a_100000766422_100000210759 [0,2,0,0,0,0|2,0,0]=4 23571 B13R0.412 C=CC(CC)OCCCCCCCC 7a_100000766422_100000210759 [0,2,0,0,0,0|2,0,0]=4 23572 B13R0.412 C=CC(CC)OCCCCCCCO 34a_100000766422_100000760002 [0,2,0,0,0,0|1,0,0]=3 23573 B13R0.412 C=CC(CC)OCCCCCCCO 7a_100000766422_100000760002 [0,2,0,0,0,0|1,0,0]=3 23574 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 2230a_100016989147_100000210759 [0,2,0,0,0,0|1,0,0]=3 23575 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|1,0,0]=3 23576 B13R0.412 C=C[C@@H](CO)NCCCCCCCO 2230a_100016989147_100000760002 [0,2,0,0,0,0|2,0,0]=4 23577 B13R0.412 C=C[C@@H](CO)NCCCCCCCO 34a_100016989147_100000760002 [0,2,0,0,0,0|2,0,0]=4 23578 B13R0.412 C=C[C@@H](CO)NCCCCCCOC 2230a_100016989147_100011998445 [0,2,0,0,0,0|2,0,0]=4 23579 B13R0.412 C=C[C@@H](CO)NCCCCCCOC 34a_100016989147_100011998445 [0,2,0,0,0,0|2,0,0]=4 23580 B13R0.412 CCC(CC)CNCCCCCCF 2230a_100102946423_100015922095 [0,2,0,0,0,0|2,0,0]=4 23581 B13R0.412 CCC(CC)CNCCCCCCO 2230a_100000686447_100011215472 [0,2,0,0,0,0|1,0,0]=3 23582 B13R0.412 CCC(CC)CNCCCCCCO 2230a_100102946423_100000766143 [0,2,0,0,0,0|1,0,0]=3 23583 B13R0.412 CCC(CC)CNCCCCCCO 269862a_100000686447_100000211137 [0,2,0,0,0,0|1,0,0]=3 23584 B13R0.412 CCC(CC)CNCCCCCCO 270004a_100000686447_100000211137 [0,2,0,0,0,0|1,0,0]=3 23585 B13R0.412 CCC(CC)CNCCCCCCO 34a_100000686447_100011215472 [0,2,0,0,0,0|1,0,0]=3 23586 B13R0.412 CCC(CC)COCCCCCCBr 34a_100011215345_100011215472 [0,2,0,0,0,0|2,0,0]=4 23587 B13R0.412 CCC(CC)COCCCCCCBr 7a_100011215345_100011215472 [0,2,0,0,0,0|2,0,0]=4 23588 B13R0.412 CCC(CC)COCCCCCCCl 34a_100000766143_100011215472 [0,2,0,0,0,0|2,0,0]=4 23589 B13R0.412 CCC(CC)COCCCCCCCl 7a_100000766143_100011215472 [0,2,0,0,0,0|2,0,0]=4 23590 B13R0.412 CCC(CC)COCCCCCCF 34a_100000732779_100011215472 [0,2,0,0,0,0|2,0,0]=4 23591 B13R0.412 CCC(CC)COCCCCCCF 7a_100000703878_100015922095 [0,2,0,0,0,0|2,0,0]=4 23592 B13R0.412 CCC(CC)COCCCCCCF 7a_100000732779_100011215472 [0,2,0,0,0,0|2,0,0]=4 23593 B13R0.412 CCC(CC)COCCCCCCN 34a_100000686447_100011215472 [0,2,0,0,0,0|2,0,0]=4 23594 B13R0.412 CCC(CC)COCCCCCCO 7a_100000703878_100000766143 [0,2,0,0,0,0|1,0,0]=3 23595 B13R0.412 CCC(CC)CSCCCCCCF 62a_100011215472_100015922095 [0,2,0,0,0,0|2,0,0]=4 23596 B13R0.412 CCC(CC)CSCCCCCCF 62a_100015922095_100011215472 [0,2,0,0,0,0|2,0,0]=4 23597 B13R0.412 CCC(CC)CSCCCCCCO 62a_100000766143_100011215472 [0,2,0,0,0,0|1,0,0]=3 23598 B13R0.412 CCC(CC)CSCCCCCCO 62a_100011215472_100000766143 [0,2,0,0,0,0|1,0,0]=3 23599 B13R0.412 CCC(CC)NCCCCCCCO 2230a_100000199018_100000760002 [0,2,0,0,0,0|1,0,0]=3 23600 B13R0.412 CCC(CC)NCCCCCCCO 270004a_100011996573_100000210860 [0,2,0,0,0,0|1,0,0]=3 23601 B13R0.412 CCC(CC)NCCCOCCCO 270004a_100011310245_100000210860 [0,2,0,0,0,0|2,0,0]=4 23602 B13R0.412 CCC(CC)OCCCCCCCBr 7a_100000760002_100000210505 [0,2,0,0,0,0|2,0,0]=4 23603 B13R0.412 CCC(CC)OCCCCCCCO 7a_100000688536_100000760002 [0,2,0,0,0,0|1,0,0]=3 23604 B13R0.412 CCC(CC)SCCCCCCCO 62a_100000210505_100000760002 [0,2,0,0,0,0|1,0,0]=3 23605 B13R0.412 CCC(CC)SCCCCCCCO 62a_100000760002_100000210505 [0,2,0,0,0,0|1,0,0]=3 23606 B13R0.412 CCC(COCCCCCCF)OC 34a_100011934954_100015922095 [0,2,0,0,0,0|2,0,0]=4 23607 B13R0.412 CCC(COCCCCCCF)OC 7a_100011934954_100015922095 [0,2,0,0,0,0|2,0,0]=4 23608 B13R0.412 CCC(COCCCCCCO)OC 34a_100011934954_100000766143 [0,2,0,0,0,0|1,0,0]=3 23609 B13R0.412 CCC(COCCCCCCO)OC 7a_100011934954_100000766143 [0,2,0,0,0,0|1,0,0]=3 23610 B13R0.412 CCCCCCCCCN(CC)CC 2230a_100000724800_100011214924 [0,2,0,0,0,0|2,0,0]=4 23611 B13R0.412 CCCCCCCCCN(CC)CC 269956a_100000042499_100000210670 [0,2,0,0,0,0|2,0,0]=4 23612 B13R0.412 CCCCCCCCCN(CC)CC 269982a_100000724800_100000210670 [0,2,0,0,0,0|2,0,0]=4 23613 B13R0.412 CCCCCCCCNC(CC)CC 2230a_100000199018_100000210759 [0,2,0,0,0,0|2,0,0]=4 23614 B13R0.412 CCCCCCCCNC(CC)CC 270004a_100000229939_100000210860 [0,2,0,0,0,0|2,0,0]=4 23615 B13R0.412 CCCCCCCCNC(CO)CO 2230a_100000759517_100000210759 [0,2,0,0,0,0|1,0,0]=3 23616 B13R0.412 CCCCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210759 [0,2,0,0,0,0|1,0,0]=3 23617 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000210232_100000210505 [0,2,0,0,0,0|2,0,0]=4 23618 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000688536_100000210759 [0,2,0,0,0,0|2,0,0]=4 23619 B13R0.412 CCCCCCCCOC(CCl)CCl 7a_100000737055_100000210759 [0,2,0,0,0,0|2,0,0]=4 23620 B13R0.412 CCCCCCCCOC(CF)CF 34a_100000032261_100000210759 [0,2,0,0,0,0|2,0,0]=4 23621 B13R0.412 CCCCCCCCOC(CF)CF 7a_100000032261_100000210759 [0,2,0,0,0,0|2,0,0]=4 23622 B13R0.412 CCCCCCCCOC(CN)CN 34a_100000031598_100000210759 [0,2,0,0,0,0|2,0,0]=4 23623 B13R0.412 CCCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210759 [0,2,0,0,0,0|2,0,0]=4 23624 B13R0.412 CCCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210759 [0,2,0,0,0,0|2,0,0]=4 23625 B13R0.412 CCCCCCCCSC(CC)CC 62a_100000210505_100000210317 [0,2,0,0,0,0|2,0,0]=4 23626 B13R0.412 CCCCCCCCSC(CC)CC 62a_100000210759_100000210505 [0,2,0,0,0,0|2,0,0]=4 23627 B13R0.412 CCCCCCCNCC(CC)CC 2230a_100000229938_100011215472 [0,2,0,0,0,0|2,0,0]=4 23628 B13R0.412 CCCCCCCNCC(CC)CC 2230a_100102946423_100000210681 [0,2,0,0,0,0|2,0,0]=4 23629 B13R0.412 CCCCCCCNCC(CC)CC 269862a_100000229938_100000211137 [0,2,0,0,0,0|2,0,0]=4 23630 B13R0.412 CCCCCCCNCC(CC)CC 270004a_100000229938_100000211137 [0,2,0,0,0,0|2,0,0]=4 23631 B13R0.412 CCCCCCCOCC(CC)CC 34a_100000210272_100011215472 [0,2,0,0,0,0|2,0,0]=4 23632 B13R0.412 CCCCCCCOCC(CC)CC 7a_100000210272_100011215472 [0,2,0,0,0,0|2,0,0]=4 23633 B13R0.412 CCCCCCCOCC(CC)CC 7a_100000703878_100000210614 [0,2,0,0,0,0|2,0,0]=4 23634 B13R0.412 CCCCCCCOCC(CC)OC 34a_100011934954_100000210614 [0,2,0,0,0,0|2,0,0]=4 23635 B13R0.412 CCCCCCCOCC(CC)OC 7a_100011934954_100000210614 [0,2,0,0,0,0|2,0,0]=4 23636 B13R0.412 CCCCCCCSCC(CC)CC 62a_100000210614_100011215472 [0,2,0,0,0,0|2,0,0]=4 23637 B13R0.412 CCCCCCCSCC(CC)CC 62a_100011215472_100000210316 [0,2,0,0,0,0|2,0,0]=4 23638 B13R0.412 CCN(CC)CCCCCCCCO 2230a_100000724800_100000033203 [0,2,0,0,0,0|1,0,0]=3 23639 B13R0.412 CCN(CC)CCCCCCCCO 269956a_100000042499_100000033203 [0,2,0,0,0,0|1,0,0]=3 23640 B13R0.412 CCN(CC)CCCCCCCCO 269982a_100000724800_100000033203 [0,2,0,0,0,0|1,0,0]=3 23641 B13R0.412 CCN(CC)CCCCCNCCO 2230a_100011491781_100000211926 [0,2,0,0,0,0|2,0,0]=4 23642 B13R0.412 CCN(CC)CCCCCOCCO 7a_200011629222_100000211926 [0,2,0,0,0,0|2,0,0]=4 23643 B13R0.412 CCN(CC)CCCCNCCCO 2230a_100000743895_100000230001 [0,2,0,0,0,0|2,0,0]=4 23644 B13R0.412 CCN(CC)CCCCOCCCO 7a_100011305530_100011215043 [0,2,0,0,0,0|2,0,0]=4 23645 B13R0.412 CCN(CC)CCCNCCCCO 2230a_100000750430_100000709985 [0,2,0,0,0,0|2,0,0]=4 23646 B13R0.412 CCN(CC)CCCOCCCCO 7a_100000212844_100000210776 [0,2,0,0,0,0|2,0,0]=4 23647 B13R0.412 CCN(CC)CCCSCCCCO 62a_100000210776_100000709985 [0,2,0,0,0,0|2,0,0]=4 23648 B13R0.412 CCN(CC)CCNCCCCCO 2230a_100000762737_100000700428 [0,2,0,0,0,0|2,0,0]=4 23649 B13R0.412 CCN(CC)CCNCCCCCO 2230a_100015382049_100000746330 [0,2,0,0,0,0|2,0,0]=4 23650 B13R0.412 CCN(CC)CCOCCCCCO 7a_100016990331_100000746330 [0,2,0,0,0,0|2,0,0]=4 23651 B13R0.412 CCN(CC)CCSCCCCCO 62a_100000746330_100000700428 [0,2,0,0,0,0|2,0,0]=4 23652 B13R0.412 CCN(CC)COCCCCCCO 7a_200015374951_100000766143 [0,2,0,0,0,0|2,0,0]=4 23653 B13R0.412 CCN(CCCCOCCCO)N=O 34a_200000035056_100000230001 [0,2,0,0,0,0|2,0,0]=4 23654 B13R0.412 CC[C@@H](CO)NCCCCCCCO 2230a_100000709445_100000760002 [0,2,0,0,0,0|1,0,0]=3 23655 B13R0.412 CC[C@@H](CO)NCCCCCCOC 2230a_100000709445_100011998445 [0,2,0,0,0,0|2,0,0]=4 23656 B13R0.412 COC(CCCNCCCCO)OC 2230a_100000750430_100000069011 [0,2,0,0,0,0|2,0,0]=4 23657 B13R0.412 COC(CCCNCCCCO)OC 34a_100000750430_100000069011 [0,2,0,0,0,0|2,0,0]=4 23658 B13R0.412 COC(CCCSCCCCO)OC 62a_100000069011_100000210776 [0,2,0,0,0,0|2,0,0]=4 23659 B13R0.412 COC(CCCSCCCCO)OC 62a_100000210776_100000069011 [0,2,0,0,0,0|2,0,0]=4 23660 B13R0.412 COC(CCNCCCCCO)OC 2230a_100000762737_100009813347 [0,2,0,0,0,0|2,0,0]=4 23661 B13R0.412 COC(CCNCCCCCO)OC 34a_100000762737_100000139399 [0,2,0,0,0,0|2,0,0]=4 23662 B13R0.412 COC(CCSCCCCCO)OC 62a_100000139399_100000746330 [0,2,0,0,0,0|2,0,0]=4 23663 B13R0.412 COC(CCSCCCCCO)OC 62a_100000746330_100000139399 [0,2,0,0,0,0|2,0,0]=4 23664 B13R0.412 COC(CNCCCCCCO)OC 2230a_100000686447_100000751394 [0,2,0,0,0,0|2,0,0]=4 23665 B13R0.412 COC(CNCCCCCCO)OC 270004a_100000686447_100000752162 [0,2,0,0,0,0|2,0,0]=4 23666 B13R0.412 COC(CNCCCCCCO)OC 34a_100000686447_100000211822 [0,2,0,0,0,0|2,0,0]=4 23667 B13R0.412 COC(COCCCCCCO)OC 34a_100011216393_100000766143 [0,2,0,0,0,0|2,0,0]=4 23668 B13R0.412 COC(CSCCCCCCO)OC 62a_100000751394_100000766143 [0,2,0,0,0,0|2,0,0]=4 23669 B13R0.412 COC(CSCCCCCCO)OC 62a_100000766143_100000751394 [0,2,0,0,0,0|2,0,0]=4 23670 B13R0.412 COCCCCCCNC(CO)CO 2230a_100000759517_100011998445 [0,2,0,0,0,0|2,0,0]=4 23671 B13R0.412 NCC(CN)OCCCCCCCO 34a_100000031598_100000760002 [0,2,0,0,0,0|2,0,0]=4 23672 B13R0.412 OCCCCCCCNC(CO)CO 2230a_100000759517_100000760002 [0,2,0,0,0,0|2,0,0]=4 23673 B13R0.412 OCCCCCCCOC(CCl)CCl 7a_100000737055_100000760002 [0,2,0,0,0,0|2,0,0]=4 23674 B13R0.412 OCCCCCCCOC(CF)CF 34a_100000032261_100000760002 [0,2,0,0,0,0|2,0,0]=4 23675 B13R0.412 OCCCCCCCOC(CF)CF 7a_100000032261_100000760002 [0,2,0,0,0,0|2,0,0]=4 23676 B13R0.412 OCCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000760002 [0,2,0,0,0,0|2,0,0]=4 23677 B13R0.412 OCCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000760002 [0,2,0,0,0,0|2,0,0]=4 23678 B13R0.1215 CC(C)(CCl)COCCCCCCO 7a_100011217199_100000766143 [0,2,0,0,0,0|2,0,0]=4 23679 B13R0.1215 CC(C)(CCl)OCCCCCCCO 7a_100000764493_100000760002 [0,2,0,0,0,0|2,0,0]=4 23680 B13R0.1215 CC(C)(CO)CCCNCCCCF 2230a_100000039164_100000729493 [0,2,0,0,0,0|2,0,0]=4 23681 B13R0.1215 CC(C)(CO)CCCNCCCCO 2230a_100000039164_100000210776 [0,2,0,0,0,0|2,0,0]=4 23682 B13R0.1215 CC(C)(CO)CNCCCCCCF 2230a_100020635058_100015922095 [0,2,0,0,0,0|2,0,0]=4 23683 B13R0.1215 CC(C)(CO)CNCCCCCCO 2230a_100020635058_100000766143 [0,2,0,0,0,0|2,0,0]=4 23684 B13R0.1215 CC(C)(CO)CNCCCCCCO 34a_100000686447_100009813988 [0,2,0,0,0,0|2,0,0]=4 23685 B13R0.1215 CC(C)(CO)COCCCCCCBr 34a_100011215345_100009813988 [0,2,0,0,0,0|2,0,0]=4 23686 B13R0.1215 CC(C)(CO)COCCCCCCBr 7a_100011215345_100009813988 [0,2,0,0,0,0|2,0,0]=4 23687 B13R0.1215 CC(C)(CO)COCCCCCCCl 34a_100000766143_100009813988 [0,2,0,0,0,0|2,0,0]=4 23688 B13R0.1215 CC(C)(CO)COCCCCCCCl 7a_100000766143_100009813988 [0,2,0,0,0,0|2,0,0]=4 23689 B13R0.1215 CC(C)(CO)COCCCCCCF 34a_100000732779_100009813988 [0,2,0,0,0,0|2,0,0]=4 23690 B13R0.1215 CC(C)(CO)COCCCCCCF 7a_100000732779_100009813988 [0,2,0,0,0,0|2,0,0]=4 23691 B13R0.1215 CC(C)(CO)COCCCCCCN 34a_100000686447_100009813988 [0,2,0,0,0,0|2,0,0]=4 23692 B13R0.1215 CC(C)(CO)CSCCCCCCF 62a_100009813988_100015922095 [0,2,0,0,0,0|2,0,0]=4 23693 B13R0.1215 CC(C)(CO)CSCCCCCCF 62a_100015922095_100009813988 [0,2,0,0,0,0|2,0,0]=4 23694 B13R0.1215 CC(C)(CO)CSCCCCCCO 62a_100000766143_100009813988 [0,2,0,0,0,0|2,0,0]=4 23695 B13R0.1215 CC(C)(CO)CSCCCCCCO 62a_100009813988_100000766143 [0,2,0,0,0,0|2,0,0]=4 23696 B13R0.1215 CC(C)(CO)NCCCCCCCO 2230a_100000210608_100000760002 [0,2,0,0,0,0|2,0,0]=4 23697 B13R0.1215 CCC(C)(C)COCCCCCCF 7a_100000765029_100015922095 [0,2,0,0,0,0|2,0,0]=4 23698 B13R0.1215 CCC(C)(C)COCCCCCCO 7a_100000765029_100000766143 [0,2,0,0,0,0|1,0,0]=3 23699 B13R0.1215 CCC(C)(C)NCCCCCCCO 2230a_100000211385_100000760002 [0,2,0,0,0,0|1,0,0]=3 23700 B13R0.1215 CCC(C)(C)OCCCCCCCBr 7a_100000760002_100000210677 [0,2,0,0,0,0|2,0,0]=4 23701 B13R0.1215 CCC(C)(C)OCCCCCCCO 7a_100000210230_100000760002 [0,2,0,0,0,0|1,0,0]=3 23702 B13R0.1215 CCC(C)(C)SCCCCCCCO 62a_100000032637_100000760002 [0,2,0,0,0,0|1,0,0]=3 23703 B13R0.1215 CCC(C)(C)SCCCCCCCO 62a_100000760002_100000032637 [0,2,0,0,0,0|1,0,0]=3 23704 B13R0.1215 CCCCCCCCNC(C)(C)CC 2230a_100000211385_100000210759 [0,2,0,0,0,0|2,0,0]=4 23705 B13R0.1215 CCCCCCCCNC(C)(C)CO 2230a_100000210608_100000210759 [0,2,0,0,0,0|1,0,0]=3 23706 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210230_100000210759 [0,2,0,0,0,0|2,0,0]=4 23707 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210232_100000210677 [0,2,0,0,0,0|2,0,0]=4 23708 B13R0.1215 CCCCCCCCOC(C)(C)CCl 7a_100000764493_100000210759 [0,2,0,0,0,0|2,0,0]=4 23709 B13R0.1215 CCCCCCCCSC(C)(C)CC 62a_100000032637_100000210317 [0,2,0,0,0,0|2,0,0]=4 23710 B13R0.1215 CCCCCCCCSC(C)(C)CC 62a_100000210759_100000032637 [0,2,0,0,0,0|2,0,0]=4 23711 B13R0.1215 CCCCCCCCSC(F)(F)CO 62a_100000210759_100011217949 [0,2,0,0,0,0|1,0,0]=3 23712 B13R0.1215 CCCCCCCCSC(F)(F)CO 62a_100011217949_100000210317 [0,2,0,0,0,0|1,0,0]=3 23713 B13R0.1215 CCCCCCCNCC(C)(C)CO 2230a_100020635058_100000210681 [0,2,0,0,0,0|1,0,0]=3 23714 B13R0.1215 CCCCCCCOCC(C)(C)CC 7a_100000765029_100000210614 [0,2,0,0,0,0|2,0,0]=4 23715 B13R0.1215 CCCCCCCOCC(C)(C)CCl 7a_100011217199_100000210614 [0,2,0,0,0,0|2,0,0]=4 23716 B13R0.1215 CCCCCCCOCC(C)(C)CO 34a_100000210272_100009813988 [0,2,0,0,0,0|1,0,0]=3 23717 B13R0.1215 CCCCCCCOCC(C)(C)CO 7a_100000210272_100009813988 [0,2,0,0,0,0|1,0,0]=3 23718 B13R0.1215 CCCCCCCOCC(F)(F)CN 34a_100000703232_100000210614 [0,2,0,0,0,0|2,0,0]=4 23719 B13R0.1215 CCCCCCCSCC(C)(C)CO 62a_100000210614_100009813988 [0,2,0,0,0,0|1,0,0]=3 23720 B13R0.1215 CCCCCCCSCC(C)(C)CO 62a_100009813988_100000210316 [0,2,0,0,0,0|1,0,0]=3 23721 B13R0.1215 CCCCCNCCCC(C)(C)CO 2230a_100000039164_100000210326 [0,2,0,0,0,0|1,0,0]=3 23722 B13R0.1215 CCCCOCCNCC(C)(C)CO 2230a_100020635058_100000743108 [0,2,0,0,0,0|2,0,0]=4 23723 B13R0.1215 CCCCOCCOCC(C)(C)CO 34a_100000210238_100009813988 [0,2,0,0,0,0|2,0,0]=4 23724 B13R0.1215 CCCCOCCOCC(C)(C)CO 7a_100000210238_100009813988 [0,2,0,0,0,0|2,0,0]=4 23725 B13R0.1215 CCCCOCCSCC(C)(C)CO 62a_100000743108_100009813988 [0,2,0,0,0,0|2,0,0]=4 23726 B13R0.1215 CCCCOCCSCC(C)(C)CO 62a_100009813988_100000743108 [0,2,0,0,0,0|2,0,0]=4 23727 B13R0.1215 CCCCSCCOCC(C)(C)CO 34a_200000230436_100009813988 [0,2,0,0,0,0|2,0,0]=4 23728 B13R0.1215 CCCCSCCOCC(C)(C)CO 7a_200000230436_100009813988 [0,2,0,0,0,0|2,0,0]=4 23729 B13R0.1215 CCCOCCCNCC(C)(C)CO 34a_100011217757_100009813988 [0,2,0,0,0,0|2,0,0]=4 23730 B13R0.1215 CCOCCNCCCC(C)(C)CO 2230a_100000039164_100011215890 [0,2,0,0,0,0|2,0,0]=4 23731 B13R0.1215 CCS(=O)(=O)CCNCCCCCO 2230a_100000751051_100000746330 [0,2,0,0,0,0|2,0,0]=4 23732 B13R0.1215 CCS(=O)(=O)CCNCCCCCO 2230a_100000762737_100000756660 [0,2,0,0,0,0|2,0,0]=4 23733 B13R0.1215 CCS(=O)(=O)CCNCCCCCO 34a_100000751051_100000746330 [0,2,0,0,0,0|2,0,0]=4 23734 B13R0.1215 CCS(=O)(=O)CCNCCCCCO 34a_100000762737_100000756660 [0,2,0,0,0,0|2,0,0]=4 23735 B13R0.1215 CCS(=O)(=O)CCOCCCCCO 34a_200011216379_100000746330 [0,2,0,0,0,0|2,0,0]=4 23736 B13R0.1215 CCS(=O)(=O)CCOCCCCCO 7a_200011216379_100000746330 [0,2,0,0,0,0|2,0,0]=4 23737 B13R0.1215 CCS(=O)(=O)CCSCCCCCO 62a_100000746330_100000756660 [0,2,0,0,0,0|2,0,0]=4 23738 B13R0.1215 CCS(=O)(=O)CCSCCCCCO 62a_100000756660_100000746330 [0,2,0,0,0,0|2,0,0]=4 23739 B13R0.1215 CCS(=O)(=O)NCCCCCCCO 270084a_100011996573_100000211323 [0,2,0,0,0,0|2,0,0]=4 23740 B13R0.1215 CCS(=O)(=O)NCCCCCCCO 274078a_100011996573_100000211323 [0,2,0,0,0,0|2,0,0]=4 23741 B13R0.1215 CCS(=O)(=O)NCCCCCCCO 40a_100011996573_100000053943 [0,2,0,0,0,0|2,0,0]=4 23742 B13R0.1215 CCSCCNCCCC(C)(C)CO 2230a_100000039164_100000757381 [0,2,0,0,0,0|2,0,0]=4 23743 B13R0.1215 CNCCCCCOCC(C)(C)CO 34a_100000722520_100009813988 [0,2,0,0,0,0|2,0,0]=4 23744 B13R0.1215 COC(C)(C)CCOCCCCCO 7a_100000699976_100000746330 [0,2,0,0,0,0|2,0,0]=4 23745 B13R0.1215 COC(C)(C)CNCCCCCCO 2230a_100000763424_100000766143 [0,2,0,0,0,0|2,0,0]=4 23746 B13R0.1215 COC(C)(C)CNCCCCCCO 34a_100000686447_100000701081 [0,2,0,0,0,0|2,0,0]=4 23747 B13R0.1215 COC(C)(C)CSCCCCCCO 62a_100000701081_100000766143 [0,2,0,0,0,0|2,0,0]=4 23748 B13R0.1215 COC(C)(C)CSCCCCCCO 62a_100000766143_100000701081 [0,2,0,0,0,0|2,0,0]=4 23749 B13R0.1215 COCCCCCCNC(C)(C)CO 2230a_100000210608_100011998445 [0,2,0,0,0,0|2,0,0]=4 23750 B13R0.1215 COCCCCCCSC(F)(F)CO 62a_100011217949_100011998445 [0,2,0,0,0,0|2,0,0]=4 23751 B13R0.1215 COCCCCCCSC(F)(F)CO 62a_100011998445_100011217949 [0,2,0,0,0,0|2,0,0]=4 23752 B13R0.1215 COCCCCCNCC(C)(C)CO 34a_100000747528_100009813988 [0,2,0,0,0,0|2,0,0]=4 23753 B13R0.1215 COCCCNCCCC(C)(C)CO 2230a_100000039164_100000740836 [0,2,0,0,0,0|2,0,0]=4 23754 B13R0.1215 CSC(C)(C)CNCCCCCCO 270004a_100000686447_100009845794 [0,2,0,0,0,0|2,0,0]=4 23755 B13R0.1215 NCC(F)(F)COCCCCCCO 34a_100000703232_100000766143 [0,2,0,0,0,0|2,0,0]=4 23756 B13R0.1215 OCCCCCCCSC(F)(F)CO 62a_100000760002_100011217949 [0,2,0,0,0,0|2,0,0]=4 23757 B13R0.1215 OCCCCCCCSC(F)(F)CO 62a_100011217949_100000760002 [0,2,0,0,0,0|2,0,0]=4 23758 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [1,0,0,1,0,0|2,0,0]=4 23759 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [1,0,0,1,0,0|2,0,0]=4 23760 B11R1.4 BrCCOCCC1CCCC1 34a_100000211926_100000760354 [1,0,0,1,0,0|2,0,0]=4 23761 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [1,0,0,1,0,0|1,0,0]=3 23762 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [1,0,0,1,0,0|1,0,0]=3 23763 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [1,0,0,1,0,0|2,0,0]=4 23764 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [1,0,0,1,0,0|2,0,0]=4 23765 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [1,0,0,1,0,0|1,0,0]=3 23766 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [1,0,0,1,0,0|1,0,0]=3 23767 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [1,0,0,1,0,0|1,0,0]=3 23768 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [1,0,0,1,0,0|1,0,0]=3 23769 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [1,0,0,1,0,0|2,0,0]=4 23770 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [1,0,0,1,0,0|2,0,0]=4 23771 B11R1.4 CCCCCNC1CCSC1 270004a_100000209983_100000212027 [1,0,0,1,0,0|2,0,0]=4 23772 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [1,0,0,1,0,0|2,0,0]=4 23773 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [1,0,0,1,0,0|2,0,0]=4 23774 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [1,0,0,1,0,0|2,0,0]=4 23775 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [1,0,0,1,0,0|1,0,0]=3 23776 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [1,0,0,1,0,0|1,0,0]=3 23777 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [1,0,0,1,0,0|1,0,0]=3 23778 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [1,0,0,1,0,0|1,0,0]=3 23779 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [1,0,0,1,0,0|1,0,0]=3 23780 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [1,0,0,1,0,0|2,0,0]=4 23781 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [1,0,0,1,0,0|2,0,0]=4 23782 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [1,0,0,1,0,0|2,0,0]=4 23783 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [1,0,0,1,0,0|2,0,0]=4 23784 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [1,0,0,1,0,0|1,0,0]=3 23785 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [1,0,0,1,0,0|1,0,0]=3 23786 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [1,0,0,1,0,0|2,0,0]=4 23787 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [1,0,0,1,0,0|1,0,0]=3 23788 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [1,0,0,1,0,0|1,0,0]=3 23789 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [1,0,0,1,0,0|1,0,0]=3 23790 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [1,0,0,1,0,0|1,0,0]=3 23791 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [1,0,0,1,0,0|1,0,0]=3 23792 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [1,0,0,1,0,0|1,0,0]=3 23793 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [1,0,0,1,0,0|1,0,0]=3 23794 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [1,0,0,1,0,0|2,0,0]=4 23795 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [1,0,0,1,0,0|2,0,0]=4 23796 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [1,0,0,1,0,0|2,0,0]=4 23797 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [1,0,0,1,0,0|2,0,0]=4 23798 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [1,0,0,1,0,0|2,0,0]=4 23799 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [1,0,0,1,0,0|2,0,0]=4 23800 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [1,0,0,1,0,0|2,0,0]=4 23801 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [1,0,0,1,0,0|2,0,0]=4 23802 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [1,0,0,1,0,0|1,0,0]=3 23803 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [1,0,0,1,0,0|1,0,0]=3 23804 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [1,0,0,1,0,0|1,0,0]=3 23805 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [1,0,0,1,0,0|1,0,0]=3 23806 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [1,0,0,1,0,0|1,0,0]=3 23807 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [1,0,0,1,0,0|1,0,0]=3 23808 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,0,0,1,0,0|1,0,0]=3 23809 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,0,0,1,0,0|1,0,0]=3 23810 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,0,0,1,0,0|1,0,0]=3 23811 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [1,0,0,1,0,0|2,0,0]=4 23812 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [1,0,0,1,0,0|2,0,0]=4 23813 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [1,0,0,1,0,0|2,0,0]=4 23814 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [1,0,0,1,0,0|2,0,0]=4 23815 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [1,0,0,1,0,0|2,0,0]=4 23816 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [1,0,0,1,0,0|2,0,0]=4 23817 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [1,0,0,1,0,0|2,0,0]=4 23818 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [1,0,0,1,0,0|2,0,0]=4 23819 B11R1.4 CCCCOCN1CCCC1 2230a_100000188435_100011995733 [1,0,0,1,0,0|2,0,0]=4 23820 B11R1.4 CCCCOCN1CCCC1 269982a_100000188435_100011995733 [1,0,0,1,0,0|2,0,0]=4 23821 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [1,0,0,1,0,0|2,0,0]=4 23822 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [1,0,0,1,0,0|1,0,0]=3 23823 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [1,0,0,1,0,0|1,0,0]=3 23824 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [1,0,0,1,0,0|1,0,0]=3 23825 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [1,0,0,1,0,0|1,0,0]=3 23826 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [1,0,0,1,0,0|2,0,0]=4 23827 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [1,0,0,1,0,0|2,0,0]=4 23828 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [1,0,0,1,0,0|2,0,0]=4 23829 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [1,0,0,1,0,0|2,0,0]=4 23830 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [1,0,0,1,0,0|1,0,0]=3 23831 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [1,0,0,1,0,0|1,0,0]=3 23832 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [1,0,0,1,0,0|2,0,0]=4 23833 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [1,0,0,1,0,0|2,0,0]=4 23834 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [1,0,0,1,0,0|1,0,0]=3 23835 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [1,0,0,1,0,0|1,0,0]=3 23836 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [1,0,0,1,0,0|1,0,0]=3 23837 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [1,0,0,1,0,0|2,0,0]=4 23838 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [1,0,0,1,0,0|2,0,0]=4 23839 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [1,0,0,1,0,0|2,0,0]=4 23840 B11R1.4 CCCOCCN1CCCC1 2230a_100000188435_100011215938 [1,0,0,1,0,0|2,0,0]=4 23841 B11R1.4 CCCOCCN1CCCC1 269982a_100000188435_100011215938 [1,0,0,1,0,0|2,0,0]=4 23842 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [1,0,0,1,0,0|1,0,0]=3 23843 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [1,0,0,1,0,0|1,0,0]=3 23844 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [1,0,0,1,0,0|2,0,0]=4 23845 B11R1.4 CCCSCCN1CCCC1 62a_100000210303_100000004467 [1,0,0,1,0,0|2,0,0]=4 23846 B11R1.4 CCCSCCN1CCCC1 62a_100000700749_100000210303 [1,0,0,1,0,0|2,0,0]=4 23847 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [1,0,0,1,0,0|1,0,0]=3 23848 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [1,0,0,1,0,0|1,0,0]=3 23849 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [1,0,0,1,0,0|1,0,0]=3 23850 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [1,0,0,1,0,0|2,0,0]=4 23851 B11R1.4 CCNCCCN1CCCC1 2230a_100015525214_100011445909 [1,0,0,1,0,0|2,0,0]=4 23852 B11R1.4 CCNCCOC1CCCC1 34a_100000741755_100000210202 [1,0,0,1,0,0|2,0,0]=4 23853 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [1,0,0,1,0,0|1,0,0]=3 23854 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [1,0,0,1,0,0|1,0,0]=3 23855 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [1,0,0,1,0,0|1,0,0]=3 23856 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [1,0,0,1,0,0|2,0,0]=4 23857 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [1,0,0,1,0,0|2,0,0]=4 23858 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [1,0,0,1,0,0|2,0,0]=4 23859 B11R1.4 CCOCCCN1CCCC1 2230a_100000188435_100012232248 [1,0,0,1,0,0|2,0,0]=4 23860 B11R1.4 CCOCCCN1CCCC1 269982a_100000188435_100012232248 [1,0,0,1,0,0|2,0,0]=4 23861 B11R1.4 CCOCCCN1CCCC1 34a_100121572206_100016991639 [1,0,0,1,0,0|2,0,0]=4 23862 B11R1.4 CCOCCNC1CCCC1 2230a_100000211070_100011215890 [1,0,0,1,0,0|2,0,0]=4 23863 B11R1.4 CCOCCNC1CCCC1 2230a_102516460346_100000179811 [1,0,0,1,0,0|2,0,0]=4 23864 B11R1.4 CCOCCNC1CCCC1 270004a_102516460346_100000210133 [1,0,0,1,0,0|2,0,0]=4 23865 B11R1.4 CCOCCNC1CCCC1 34a_100000211070_100000210147 [1,0,0,1,0,0|2,0,0]=4 23866 B11R1.4 CCOCCNC1CCCC1 34a_102516460346_100000179811 [1,0,0,1,0,0|2,0,0]=4 23867 B11R1.4 CCOCCNC1CCCC1 34a_200000200444_100000210202 [1,0,0,1,0,0|2,0,0]=4 23868 B11R1.4 CCOCCOC1CCCC1 34a_100000210136_100000179811 [1,0,0,1,0,0|2,0,0]=4 23869 B11R1.4 CCOCCOC1CCCC1 34a_100000210269_100000210147 [1,0,0,1,0,0|2,0,0]=4 23870 B11R1.4 CCOCCOC1CCCC1 34a_100000738311_100000210202 [1,0,0,1,0,0|2,0,0]=4 23871 B11R1.4 CCOCCOC1CCCC1 7a_100000210136_100000179811 [1,0,0,1,0,0|2,0,0]=4 23872 B11R1.4 CCOCCOC1CCCC1 7a_100000210269_100011215890 [1,0,0,1,0,0|2,0,0]=4 23873 B11R1.4 CCOCCOC1CCCC1 7a_100000738311_100000210202 [1,0,0,1,0,0|2,0,0]=4 23874 B11R1.4 CCOCCOC1CCCO1 34a_100000085407_100000210147 [1,0,0,1,0,0|2,0,0]=4 23875 B11R1.4 CCOCCSC1CCCC1 62a_100000210147_100000179811 [1,0,0,1,0,0|2,0,0]=4 23876 B11R1.4 CCOCCSC1CCCC1 62a_100011217020_100011215890 [1,0,0,1,0,0|2,0,0]=4 23877 B11R1.4 CCOCSCC1CCCC1 62a_100000739092_100000740388 [1,0,0,1,0,0|2,0,0]=4 23878 B11R1.4 CCOCSCC1CCCC1 62a_100000740388_100000739092 [1,0,0,1,0,0|2,0,0]=4 23879 B11R1.4 CCOCSCC1CCCO1 62a_100000203698_100000739092 [1,0,0,1,0,0|2,0,0]=4 23880 B11R1.4 CCOCSCC1CCCO1 62a_100000739092_100000203698 [1,0,0,1,0,0|2,0,0]=4 23881 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [1,0,0,1,0,0|1,0,0]=3 23882 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [1,0,0,1,0,0|1,0,0]=3 23883 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [1,0,0,1,0,0|2,0,0]=4 23884 B11R1.4 CCSCCCN1CCCC1 62a_100000210202_100011445909 [1,0,0,1,0,0|2,0,0]=4 23885 B11R1.4 CCSCCCN1CCCC1 62a_100016991639_100000210202 [1,0,0,1,0,0|2,0,0]=4 23886 B11R1.4 CCSCCNC1CCCC1 2230a_100000106463_100000179811 [1,0,0,1,0,0|2,0,0]=4 23887 B11R1.4 CCSCCNC1CCCC1 2230a_100000211070_100000757381 [1,0,0,1,0,0|2,0,0]=4 23888 B11R1.4 CCSCCNC1CCCC1 270004a_100000106463_100000210133 [1,0,0,1,0,0|2,0,0]=4 23889 B11R1.4 CCSCCNC1CCCC1 34a_100000211070_100000757381 [1,0,0,1,0,0|2,0,0]=4 23890 B11R1.4 CCSCCOC1CCCC1 34a_100000210269_100000757381 [1,0,0,1,0,0|2,0,0]=4 23891 B11R1.4 CCSCCOC1CCCC1 34a_100000212035_100000179811 [1,0,0,1,0,0|2,0,0]=4 23892 B11R1.4 CCSCCOC1CCCC1 7a_100000210269_100000757381 [1,0,0,1,0,0|2,0,0]=4 23893 B11R1.4 CCSCCOC1CCCC1 7a_100000212035_100000179811 [1,0,0,1,0,0|2,0,0]=4 23894 B11R1.4 CCSCCOC1CCCO1 34a_100000085407_100000757381 [1,0,0,1,0,0|2,0,0]=4 23895 B11R1.4 CCSCCSC1CCCC1 62a_100000757381_100000179811 [1,0,0,1,0,0|2,0,0]=4 23896 B11R1.4 CCSCCSC1CCCC1 62a_100011217020_100000757381 [1,0,0,1,0,0|2,0,0]=4 23897 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [1,0,0,1,0,0|2,0,0]=4 23898 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [1,0,0,1,0,0|2,0,0]=4 23899 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [1,0,0,1,0,0|2,0,0]=4 23900 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [1,0,0,1,0,0|2,0,0]=4 23901 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [1,0,0,1,0,0|2,0,0]=4 23902 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [1,0,0,1,0,0|2,0,0]=4 23903 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [1,0,0,1,0,0|2,0,0]=4 23904 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [1,0,0,1,0,0|2,0,0]=4 23905 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [1,0,0,1,0,0|2,0,0]=4 23906 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [1,0,0,1,0,0|2,0,0]=4 23907 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [1,0,0,1,0,0|2,0,0]=4 23908 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [1,0,0,1,0,0|2,0,0]=4 23909 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [1,0,0,1,0,0|2,0,0]=4 23910 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [1,0,0,1,0,0|2,0,0]=4 23911 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [1,0,0,1,0,0|2,0,0]=4 23912 B11R1.4 COCCCOC1CCCO1 34a_100000085407_100000740836 [1,0,0,1,0,0|2,0,0]=4 23913 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [1,0,0,1,0,0|2,0,0]=4 23914 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [1,0,0,1,0,0|2,0,0]=4 23915 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [1,0,0,1,0,0|2,0,0]=4 23916 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [1,0,0,1,0,0|2,0,0]=4 23917 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [1,0,0,1,0,0|2,0,0]=4 23918 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [1,0,0,1,0,0|2,0,0]=4 23919 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [1,0,0,1,0,0|2,0,0]=4 23920 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [1,0,0,1,0,0|2,0,0]=4 23921 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [1,0,0,1,0,0|2,0,0]=4 23922 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [1,0,0,1,0,0|2,0,0]=4 23923 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [1,0,0,1,0,0|2,0,0]=4 23924 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [1,0,0,1,0,0|2,0,0]=4 23925 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [1,0,0,1,0,0|2,0,0]=4 23926 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [1,0,0,1,0,0|2,0,0]=4 23927 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [1,0,0,1,0,0|2,0,0]=4 23928 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [1,0,0,1,0,0|2,0,0]=4 23929 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [1,0,0,1,0,0|2,0,0]=4 23930 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [1,0,0,1,0,0|2,0,0]=4 23931 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [1,0,0,1,0,0|2,0,0]=4 23932 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [1,0,0,1,0,0|2,0,0]=4 23933 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [1,0,0,1,0,0|2,0,0]=4 23934 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [1,0,0,1,0,0|2,0,0]=4 23935 B11R1.4 CSCCCNC1CCCC1 2230a_100000749238_100000179811 [1,0,0,1,0,0|2,0,0]=4 23936 B11R1.4 CSCCCNC1CCCC1 270004a_100000749238_100000210133 [1,0,0,1,0,0|2,0,0]=4 23937 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [1,0,0,1,0,0|2,0,0]=4 23938 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [1,0,0,1,0,0|2,0,0]=4 23939 B11R1.4 CSCCNCC1CCCC1 2230a_100000737975_100000751147 [1,0,0,1,0,0|2,0,0]=4 23940 B11R1.4 CSCCNCC1CCCC1 2230a_100020590264_100000740388 [1,0,0,1,0,0|2,0,0]=4 23941 B11R1.4 CSCCNCC1CCCC1 269862a_100020590264_100000746403 [1,0,0,1,0,0|2,0,0]=4 23942 B11R1.4 CSCCNCC1CCCC1 34a_100000737975_100000212216 [1,0,0,1,0,0|2,0,0]=4 23943 B11R1.4 CSCCNCC1CCCO1 2230a_100020590264_100000203698 [1,0,0,1,0,0|2,0,0]=4 23944 B11R1.4 CSCCNC[C@@H]1CCCO1 2230a_100020590478_100000751147 [1,0,0,1,0,0|2,0,0]=4 23945 B11R1.4 CSCCNC[C@@H]1CCCO1 34a_100020590478_100000212216 [1,0,0,1,0,0|2,0,0]=4 23946 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [1,0,0,1,0,0|2,0,0]=4 23947 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [1,0,0,1,0,0|2,0,0]=4 23948 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [1,0,0,1,0,0|2,0,0]=4 23949 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [1,0,0,1,0,0|2,0,0]=4 23950 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [1,0,0,1,0,0|2,0,0]=4 23951 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [1,0,0,1,0,0|2,0,0]=4 23952 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [1,0,0,1,0,0|2,0,0]=4 23953 B11R1.4 CSCCSCC1CCCC1 62a_100000212216_100000740388 [1,0,0,1,0,0|2,0,0]=4 23954 B11R1.4 CSCCSCC1CCCC1 62a_100000740388_100000751147 [1,0,0,1,0,0|2,0,0]=4 23955 B11R1.4 CSCCSCC1CCCO1 62a_100000203698_100000751147 [1,0,0,1,0,0|2,0,0]=4 23956 B11R1.4 CSCCSCC1CCCO1 62a_100000212216_100000203698 [1,0,0,1,0,0|2,0,0]=4 23957 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [1,0,0,1,0,0|2,0,0]=4 23958 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [1,0,0,1,0,0|2,0,0]=4 23959 B11R1.4 CSCOCCC1CCCC1 34a_100000749090_100011218213 [1,0,0,1,0,0|2,0,0]=4 23960 B11R1.4 CSCSCCC1CCCC1 62a_100000760354_100011218213 [1,0,0,1,0,0|2,0,0]=4 23961 B11R1.4 CSCSCCC1CCCC1 62a_100011218213_100000760354 [1,0,0,1,0,0|2,0,0]=4 23962 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [1,0,0,1,0,0|2,0,0]=4 23963 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [1,0,0,1,0,0|2,0,0]=4 23964 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [1,0,0,1,0,0|2,0,0]=4 23965 B11R1.4 FCCCCCN1CCCC1 2230a_100000188435_100000729378 [1,0,0,1,0,0|2,0,0]=4 23966 B11R1.4 FCCCCCN1CCCC1 269982a_100000188435_100000729378 [1,0,0,1,0,0|2,0,0]=4 23967 B11R1.4 FCCCCNC1CCCC1 2230a_100000211070_100000729493 [1,0,0,1,0,0|2,0,0]=4 23968 B11R1.4 FCCCCNC1CCCC1 34a_100000211070_100000729493 [1,0,0,1,0,0|2,0,0]=4 23969 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [1,0,0,1,0,0|2,0,0]=4 23970 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [1,0,0,1,0,0|2,0,0]=4 23971 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [1,0,0,1,0,0|2,0,0]=4 23972 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [1,0,0,1,0,0|2,0,0]=4 23973 B11R1.4 FCCCCOC1CCCO1 34a_100000085407_100000729493 [1,0,0,1,0,0|2,0,0]=4 23974 B11R1.4 FCCCCSC1CCCC1 62a_100000729493_100000179811 [1,0,0,1,0,0|2,0,0]=4 23975 B11R1.4 FCCCCSC1CCCC1 62a_100011217020_100000729493 [1,0,0,1,0,0|2,0,0]=4 23976 B11R1.4 FCCCNCC1CCCC1 2230a_100000737975_100011934791 [1,0,0,1,0,0|2,0,0]=4 23977 B11R1.4 FCCCNCC1CCCC1 2230a_100015189416_100000740388 [1,0,0,1,0,0|2,0,0]=4 23978 B11R1.4 FCCCNCC1CCCC1 269862a_100015189416_100000746403 [1,0,0,1,0,0|2,0,0]=4 23979 B11R1.4 FCCCNCC1CCCC1 34a_100000737975_100011934791 [1,0,0,1,0,0|2,0,0]=4 23980 B11R1.4 FCCCNCC1CCCC1 34a_100015189416_100000740388 [1,0,0,1,0,0|2,0,0]=4 23981 B11R1.4 FCCCNCC1CCCO1 2230a_100015189416_100000203698 [1,0,0,1,0,0|2,0,0]=4 23982 B11R1.4 FCCCNC[C@@H]1CCCO1 2230a_100020590478_100011934791 [1,0,0,1,0,0|2,0,0]=4 23983 B11R1.4 FCCCNC[C@@H]1CCCO1 34a_100020590478_100011934791 [1,0,0,1,0,0|2,0,0]=4 23984 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [1,0,0,1,0,0|2,0,0]=4 23985 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [1,0,0,1,0,0|2,0,0]=4 23986 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [1,0,0,1,0,0|2,0,0]=4 23987 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [1,0,0,1,0,0|2,0,0]=4 23988 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [1,0,0,1,0,0|2,0,0]=4 23989 B11R1.4 FCCCSCC1CCCC1 62a_100000740388_100011934791 [1,0,0,1,0,0|2,0,0]=4 23990 B11R1.4 FCCCSCC1CCCC1 62a_100011934791_100000740388 [1,0,0,1,0,0|2,0,0]=4 23991 B11R1.4 FCCCSCC1CCCO1 62a_100000203698_100011934791 [1,0,0,1,0,0|2,0,0]=4 23992 B11R1.4 FCCCSCC1CCCO1 62a_100011934791_100000203698 [1,0,0,1,0,0|2,0,0]=4 23993 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [1,0,0,1,0,0|2,0,0]=4 23994 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [1,0,0,1,0,0|2,0,0]=4 23995 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [1,0,0,1,0,0|2,0,0]=4 23996 B11R1.4 FCCOCCC1CCCC1 34a_100000749090_100011217306 [1,0,0,1,0,0|2,0,0]=4 23997 B11R1.4 FCCOCCC1CCCC1 7a_100000749090_100011217306 [1,0,0,1,0,0|2,0,0]=4 23998 B11R1.4 FCCSCCC1CCCC1 62a_100000760354_100011217306 [1,0,0,1,0,0|2,0,0]=4 23999 B11R1.4 FCCSCCC1CCCC1 62a_100011217306_100000760354 [1,0,0,1,0,0|2,0,0]=4 24000 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [1,0,0,1,0,0|2,0,0]=4 24001 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [1,0,0,1,0,0|2,0,0]=4 24002 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [1,0,0,1,0,0|2,0,0]=4 24003 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [1,0,0,1,0,0|2,0,0]=4 24004 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [1,0,0,1,0,0|2,0,0]=4 24005 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [1,0,0,1,0,0|2,0,0]=4 24006 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [1,0,0,1,0,0|2,0,0]=4 24007 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [1,0,0,1,0,0|2,0,0]=4 24008 B11R1.4 NCCOCCC1CCCC1 34a_100000210304_100000760354 [1,0,0,1,0,0|2,0,0]=4 24009 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [1,0,0,1,0,0|1,0,0]=3 24010 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [1,0,0,1,0,0|1,0,0]=3 24011 B11R1.4 OCCCCCN1CCSC1 2230a_100011215254_100000746330 [1,0,0,1,0,0|2,0,0]=4 24012 B11R1.4 OCCCCCN1CCSC1 269982a_100011215254_100000746330 [1,0,0,1,0,0|2,0,0]=4 24013 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [1,0,0,1,0,0|1,0,0]=3 24014 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [1,0,0,1,0,0|1,0,0]=3 24015 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [1,0,0,1,0,0|1,0,0]=3 24016 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [1,0,0,1,0,0|1,0,0]=3 24017 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [1,0,0,1,0,0|1,0,0]=3 24018 B11R1.4 OCCCCNC1CCOC1 2230a_100000750430_100000731011 [1,0,0,1,0,0|2,0,0]=4 24019 B11R1.4 OCCCCNC1CCOC1 270004a_100000750430_100000752484 [1,0,0,1,0,0|2,0,0]=4 24020 B11R1.4 OCCCCNC1CCOC1 34a_100000750430_100000690089 [1,0,0,1,0,0|2,0,0]=4 24021 B11R1.4 OCCCCNC1CCSC1 270004a_100000750430_100000212027 [1,0,0,1,0,0|2,0,0]=4 24022 B11R1.4 OCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210776 [1,0,0,1,0,0|2,0,0]=4 24023 B11R1.4 OCCCCN[C@H]1CCOC1 2230a_100015188467_100000210776 [1,0,0,1,0,0|2,0,0]=4 24024 B11R1.4 OCCCCN[C@H]1CCOC1 34a_100015188467_100011216708 [1,0,0,1,0,0|2,0,0]=4 24025 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [1,0,0,1,0,0|1,0,0]=3 24026 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [1,0,0,1,0,0|1,0,0]=3 24027 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [1,0,0,1,0,0|2,0,0]=4 24028 B11R1.4 OCCCCOC1CCSC1 7a_100011232664_100000210776 [1,0,0,1,0,0|2,0,0]=4 24029 B11R1.4 OCCCCO[C@H]1CCOC1 34a_100000717292_100011216708 [1,0,0,1,0,0|2,0,0]=4 24030 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [1,0,0,1,0,0|1,0,0]=3 24031 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [1,0,0,1,0,0|1,0,0]=3 24032 B11R1.4 OCCCCSC1CCOC1 62a_100000210776_100000690089 [1,0,0,1,0,0|2,0,0]=4 24033 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [1,0,0,1,0,0|1,0,0]=3 24034 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [1,0,0,1,0,0|1,0,0]=3 24035 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [1,0,0,1,0,0|1,0,0]=3 24036 B11R1.4 OCCCNCC1CCOC1 2230a_100000737293_100000230001 [1,0,0,1,0,0|2,0,0]=4 24037 B11R1.4 OCCCNCC1CCOC1 34a_100000737293_100000230001 [1,0,0,1,0,0|2,0,0]=4 24038 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [1,0,0,1,0,0|2,0,0]=4 24039 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [1,0,0,1,0,0|2,0,0]=4 24040 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [1,0,0,1,0,0|1,0,0]=3 24041 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [1,0,0,1,0,0|1,0,0]=3 24042 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [1,0,0,1,0,0|2,0,0]=4 24043 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [1,0,0,1,0,0|2,0,0]=4 24044 B11R1.4 OCCCOCC1CCNC1 34a_100000748654_100000230001 [1,0,0,1,0,0|2,0,0]=4 24045 B11R1.4 OCCCOCC1CCOC1 34a_100000740260_100000230001 [1,0,0,1,0,0|2,0,0]=4 24046 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [1,0,0,1,0,0|2,0,0]=4 24047 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [1,0,0,1,0,0|1,0,0]=3 24048 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [1,0,0,1,0,0|1,0,0]=3 24049 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [1,0,0,1,0,0|2,0,0]=4 24050 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [1,0,0,1,0,0|2,0,0]=4 24051 B11R1.4 OCCCSCC1CCOC1 62a_100000702531_100011215043 [1,0,0,1,0,0|2,0,0]=4 24052 B11R1.4 OCCCSCC1CCOC1 62a_100011215043_100000702531 [1,0,0,1,0,0|2,0,0]=4 24053 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [1,0,0,1,0,0|1,0,0]=3 24054 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [1,0,0,1,0,0|1,0,0]=3 24055 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [1,0,0,1,0,0|1,0,0]=3 24056 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [1,0,0,1,0,0|1,0,0]=3 24057 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [1,0,0,1,0,0|1,0,0]=3 24058 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [1,0,0,1,0,0|1,0,0]=3 24059 B11R1.4 OCCOCCC1CCNC1 34a_100016987287_100000211926 [1,0,0,1,0,0|2,0,0]=4 24060 B11R1.4 OCCOCCC1CCOC1 34a_100011879284_100000211926 [1,0,0,1,0,0|2,0,0]=4 24061 B11R1.4 OCCOCCN1CCCC1 2230a_100000188435_100011215305 [1,0,0,1,0,0|2,0,0]=4 24062 B11R1.4 OCCOCCN1CCCC1 269982a_100000188435_100011215305 [1,0,0,1,0,0|2,0,0]=4 24063 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [1,0,0,1,0,0|1,0,0]=3 24064 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [1,0,0,1,0,0|1,0,0]=3 24065 B11R1.4 OCCSCCN1CCCC1 62a_100000211926_100000004467 [1,0,0,1,0,0|2,0,0]=4 24066 B11R1.4 OCCSCCN1CCCC1 62a_100000700749_100000211926 [1,0,0,1,0,0|2,0,0]=4 24067 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [1,0,0,1,0,0|2,0,0]=4 24068 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [1,0,0,1,0,0|2,0,0]=4 24069 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [1,0,0,1,0,0|2,0,0]=4 24070 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [1,0,0,1,0,0|2,0,0]=4 24071 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [1,0,0,1,0,0|2,0,0]=4 24072 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,0,0,1,0,0|1,0,0]=3 24073 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,0,0,1,0,0|1,0,0]=3 24074 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,0,0,1,0,0|1,0,0]=3 24075 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,0,0,1,0,0|1,0,0]=3 24076 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [1,0,0,1,0,0|2,0,0]=4 24077 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [1,0,0,1,0,0|2,0,0]=4 24078 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,0,1,0,0|1,0,0]=3 24079 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,0,1,0,0|1,0,0]=3 24080 B11R1.17 CC1CCCCN1CCCF 2230a_100000211376_100011934791 [1,0,0,1,0,0|2,0,0]=4 24081 B11R1.17 CC1CCCCN1CCCF 269982a_100000211376_100011934791 [1,0,0,1,0,0|2,0,0]=4 24082 B11R1.17 CC1CCCCN1CCCF 34a_100000211376_100011934791 [1,0,0,1,0,0|2,0,0]=4 24083 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [1,0,0,1,0,0|1,0,0]=3 24084 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [1,0,0,1,0,0|1,0,0]=3 24085 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [1,0,0,1,0,0|1,0,0]=3 24086 B11R1.17 CC1CCCCN1CCN[13CH3] 2230a_100000739827_200025704644 [1,0,0,1,0,0|2,0,0]=4 24087 B11R1.17 CC1CCCCN1CCN[13CH3] 34a_100000739827_200025704644 [1,0,0,1,0,0|2,0,0]=4 24088 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [1,0,0,1,0,0|2,0,0]=4 24089 B11R1.17 CC1CCNCC1OCCO 34a_100000696640_100000211926 [1,0,0,1,0,0|2,0,0]=4 24090 B11R1.17 CC1CNCCC1NCCO 270004a_100000210304_100000703950 [1,0,0,1,0,0|2,0,0]=4 24091 B11R1.17 CC1CNCCC1OCCO 34a_100011998114_100000211926 [1,0,0,1,0,0|2,0,0]=4 24092 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [1,0,0,1,0,0|2,0,0]=4 24093 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [1,0,0,1,0,0|1,0,0]=3 24094 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [1,0,0,1,0,0|1,0,0]=3 24095 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [1,0,0,1,0,0|1,0,0]=3 24096 B11R1.17 CCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210211 [1,0,0,1,0,0|2,0,0]=4 24097 B11R1.17 CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210211 [1,0,0,1,0,0|2,0,0]=4 24098 B11R1.17 CCCCN1CCOC[C@@H]1C 34a_100009815349_100000210210 [1,0,0,1,0,0|2,0,0]=4 24099 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [1,0,0,1,0,0|1,0,0]=3 24100 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [1,0,0,1,0,0|1,0,0]=3 24101 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [1,0,0,1,0,0|1,0,0]=3 24102 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [1,0,0,1,0,0|1,0,0]=3 24103 B11R1.17 CCCNC1CCNCC1C 270004a_100020643023_100000703950 [1,0,0,1,0,0|2,0,0]=4 24104 B11R1.17 CCCNC1CCOCC1C 270004a_100020643023_100000755695 [1,0,0,1,0,0|2,0,0]=4 24105 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [1,0,0,1,0,0|2,0,0]=4 24106 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [1,0,0,1,0,0|2,0,0]=4 24107 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210303 [1,0,0,1,0,0|2,0,0]=4 24108 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [1,0,0,1,0,0|2,0,0]=4 24109 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [1,0,0,1,0,0|1,0,0]=3 24110 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [1,0,0,1,0,0|1,0,0]=3 24111 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [1,0,0,1,0,0|2,0,0]=4 24112 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [1,0,0,1,0,0|2,0,0]=4 24113 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [1,0,0,1,0,0|2,0,0]=4 24114 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [1,0,0,1,0,0|1,0,0]=3 24115 B11R1.17 CCCOC1CCNCC1C 34a_100011998114_100000210303 [1,0,0,1,0,0|2,0,0]=4 24116 B11R1.17 CCCOC1CNCCC1C 34a_100000696640_100000210303 [1,0,0,1,0,0|2,0,0]=4 24117 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [1,0,0,1,0,0|2,0,0]=4 24118 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [1,0,0,1,0,0|2,0,0]=4 24119 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [1,0,0,1,0,0|2,0,0]=4 24120 B11R1.17 CCCSC1CCCCC1F 62a_100000210303_100015423560 [1,0,0,1,0,0|2,0,0]=4 24121 B11R1.17 CCCSC1CCCCC1F 62a_100015423560_100000210303 [1,0,0,1,0,0|2,0,0]=4 24122 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [1,0,0,1,0,0|1,0,0]=3 24123 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [1,0,0,1,0,0|1,0,0]=3 24124 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,0]=3 24125 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [1,0,0,1,0,0|2,0,0]=4 24126 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [1,0,0,1,0,0|2,0,0]=4 24127 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [1,0,0,1,0,0|2,0,0]=4 24128 B11R1.17 CCOCN1CCCCC1C 269982a_100000211376_100000739092 [1,0,0,1,0,0|2,0,0]=4 24129 B11R1.17 CCSCC1CCCCN1C 62a_100000210202_100015185383 [1,0,0,1,0,0|2,0,0]=4 24130 B11R1.17 CCSCC1CCCCN1C 62a_100015185383_100000210202 [1,0,0,1,0,0|2,0,0]=4 24131 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,0,0,1,0,0|1,0,0]=3 24132 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,0,0,1,0,0|1,0,0]=3 24133 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,0,0,1,0,0|1,0,0]=3 24134 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [1,0,0,1,0,0|2,0,0]=4 24135 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [1,0,0,1,0,0|2,0,0]=4 24136 B11R1.17 CNCCC1CCCCN1C 2230a_106832991635_100000211948 [1,0,0,1,0,0|2,0,0]=4 24137 B11R1.17 CNCCC1CCCCN1C 34a_100102657272_100000211948 [1,0,0,1,0,0|2,0,0]=4 24138 B11R1.17 CNCCC1CCCCN1C 7a_106832991635_100000211948 [1,0,0,1,0,0|2,0,0]=4 24139 B11R1.17 CNCCN1CCCCC1C 2230a_100000739827_200000210301 [1,0,0,1,0,0|2,0,0]=4 24140 B11R1.17 CNCCN1CCCCC1C 34a_100000739827_200000210301 [1,0,0,1,0,0|2,0,0]=4 24141 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 24142 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 24143 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 24144 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [1,0,0,1,0,0|2,0,0]=4 24145 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 24146 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 24147 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 24148 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [1,0,0,1,0,0|2,0,0]=4 24149 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [1,0,0,1,0,0|2,0,0]=4 24150 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [1,0,0,1,0,0|2,0,0]=4 24151 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [1,0,0,1,0,0|2,0,0]=4 24152 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [1,0,0,1,0,0|2,0,0]=4 24153 B11R1.17 COCSC1CCCCC1O 62a_100000038908_100000766300 [1,0,0,1,0,0|2,0,0]=4 24154 B11R1.17 COCSC1CCCCC1O 62a_100000766300_100000038908 [1,0,0,1,0,0|2,0,0]=4 24155 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [1,0,0,1,0,0|2,0,0]=4 24156 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [1,0,0,1,0,0|2,0,0]=4 24157 B11R1.17 CSCCN1CCCCC1C 2230a_100000211376_100000751147 [1,0,0,1,0,0|2,0,0]=4 24158 B11R1.17 CSCCN1CCCCC1C 269982a_100000211376_100000212216 [1,0,0,1,0,0|2,0,0]=4 24159 B11R1.17 CSCCN1CCCCC1C 34a_100000211376_100000212216 [1,0,0,1,0,0|2,0,0]=4 24160 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [1,0,0,1,0,0|2,0,0]=4 24161 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [1,0,0,1,0,0|2,0,0]=4 24162 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [1,0,0,1,0,0|2,0,0]=4 24163 B11R1.17 CSCSC1CCCCC1O 62a_100000038908_100011218213 [1,0,0,1,0,0|2,0,0]=4 24164 B11R1.17 CSCSC1CCCCC1O 62a_100011218213_100000038908 [1,0,0,1,0,0|2,0,0]=4 24165 B11R1.17 C[C@H]1COCCN1CCCO 2230a_100009815349_100000230001 [1,0,0,1,0,0|2,0,0]=4 24166 B11R1.17 C[C@H]1COCCN1CCCO 269982a_100009815349_100011215043 [1,0,0,1,0,0|2,0,0]=4 24167 B11R1.17 C[C@H]1COCCN1CCCO 34a_100009815349_100000230001 [1,0,0,1,0,0|2,0,0]=4 24168 B11R1.17 NCCOC1CCCCC1O 34a_100000210304_100000038908 [1,0,0,1,0,0|2,0,0]=4 24169 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [1,0,0,1,0,0|2,0,0]=4 24170 B11R1.17 OC1CCCCC1CNCF 34a_100011216029_100015361967 [1,0,0,1,0,0|2,0,0]=4 24171 B11R1.17 OC1CCCCC1NCCF 34a_100000724931_100000038908 [1,0,0,1,0,0|2,0,0]=4 24172 B11R1.17 OC1CCCCC1OCCBr 34a_100000211926_100000038908 [1,0,0,1,0,0|2,0,0]=4 24173 B11R1.17 OC1CCCCC1SCCF 62a_100000038908_100011217306 [1,0,0,1,0,0|2,0,0]=4 24174 B11R1.17 OC1CCCCC1SCCF 62a_100011217306_100000038908 [1,0,0,1,0,0|2,0,0]=4 24175 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [1,0,0,1,0,0|2,0,0]=4 24176 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [1,0,0,1,0,0|2,0,0]=4 24177 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [1,0,0,1,0,0|2,0,0]=4 24178 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [1,0,0,1,0,0|2,0,0]=4 24179 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [1,0,0,1,0,0|2,0,0]=4 24180 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [1,0,0,1,0,0|2,0,0]=4 24181 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [1,0,0,1,0,0|2,0,0]=4 24182 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [1,0,0,1,0,0|2,0,0]=4 24183 B11R1.17 OCCSC1CCCCC1F 62a_100000211926_100015423560 [1,0,0,1,0,0|2,0,0]=4 24184 B11R1.17 OCCSC1CCCCC1F 62a_100015423560_100000211926 [1,0,0,1,0,0|2,0,0]=4 24185 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [1,0,0,1,0,0|2,0,0]=4 24186 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [1,0,0,1,0,0|2,0,0]=4 24187 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,0,0,1,0,0|1,0,0]=3 24188 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,0,0,1,0,0|1,0,0]=3 24189 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,0,0,1,0,0|1,0,0]=3 24190 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [1,0,0,1,0,0|2,0,0]=4 24191 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [1,0,0,1,0,0|1,0,0]=3 24192 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [1,0,0,1,0,0|1,0,0]=3 24193 B11R1.18 CCC1CCCN1CCCF 2230a_100000754278_100011934791 [1,0,0,1,0,0|2,0,0]=4 24194 B11R1.18 CCC1CCCN1CCCF 269982a_100000754278_100011934791 [1,0,0,1,0,0|2,0,0]=4 24195 B11R1.18 CCC1CCCN1CCCF 34a_100000754278_100011934791 [1,0,0,1,0,0|2,0,0]=4 24196 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [1,0,0,1,0,0|1,0,0]=3 24197 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [1,0,0,1,0,0|1,0,0]=3 24198 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [1,0,0,1,0,0|1,0,0]=3 24199 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [1,0,0,1,0,0|2,0,0]=4 24200 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [1,0,0,1,0,0|2,0,0]=4 24201 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [1,0,0,1,0,0|2,0,0]=4 24202 B11R1.18 CCC1CCCN1CCSC 2230a_100000754278_100000751147 [1,0,0,1,0,0|2,0,0]=4 24203 B11R1.18 CCC1CCCN1CCSC 269982a_100000754278_100000212216 [1,0,0,1,0,0|2,0,0]=4 24204 B11R1.18 CCC1CCCN1CCSC 34a_100000754278_100000212216 [1,0,0,1,0,0|2,0,0]=4 24205 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|1,0,0]=3 24206 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|1,0,0]=3 24207 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [1,0,0,1,0,0|1,0,0]=3 24208 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [1,0,0,1,0,0|1,0,0]=3 24209 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [1,0,0,1,0,0|1,0,0]=3 24210 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [1,0,0,1,0,0|1,0,0]=3 24211 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [1,0,0,1,0,0|1,0,0]=3 24212 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [1,0,0,1,0,0|1,0,0]=3 24213 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [1,0,0,1,0,0|1,0,0]=3 24214 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [1,0,0,1,0,0|1,0,0]=3 24215 B11R1.18 CCNCC1CCCN1CC 2230a_100000211693_100000210202 [1,0,0,1,0,0|2,0,0]=4 24216 B11R1.18 CCOCN1CCCC1CC 269982a_100000754278_100000739092 [1,0,0,1,0,0|2,0,0]=4 24217 B11R1.18 CCOCN1CCC[C@@H]1CO 269982a_100000745186_100000739092 [1,0,0,1,0,0|2,0,0]=4 24218 B11R1.18 CCOC[C@H]1CCCN1CC 34a_100011739246_100000210202 [1,0,0,1,0,0|2,0,0]=4 24219 B11R1.18 CCOC[C@H]1CCCN1CC 7a_100011739246_100000210202 [1,0,0,1,0,0|2,0,0]=4 24220 B11R1.18 COCCN1CCC[C@@H]1CO 2230a_100000745186_100011201679 [1,0,0,1,0,0|2,0,0]=4 24221 B11R1.18 COCCN1CCC[C@@H]1CO 269982a_100000745186_100000233755 [1,0,0,1,0,0|2,0,0]=4 24222 B11R1.18 COCCN1CCC[C@@H]1CO 34a_100000745186_100011201679 [1,0,0,1,0,0|2,0,0]=4 24223 B11R1.18 CSCCN1CCC[C@@H]1CO 2230a_100000745186_100000751147 [1,0,0,1,0,0|2,0,0]=4 24224 B11R1.18 CSCCN1CCC[C@@H]1CO 269982a_100000745186_100000212216 [1,0,0,1,0,0|2,0,0]=4 24225 B11R1.18 CSCCN1CCC[C@@H]1CO 34a_100000745186_100000212216 [1,0,0,1,0,0|2,0,0]=4 24226 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [1,0,0,1,0,0|2,0,0]=4 24227 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [1,0,0,1,0,0|2,0,0]=4 24228 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [1,0,0,1,0,0|2,0,0]=4 24229 B11R1.18 OC[C@H]1CCCN1CCCF 2230a_100000745186_100011934791 [1,0,0,1,0,0|2,0,0]=4 24230 B11R1.18 OC[C@H]1CCCN1CCCF 269982a_100000745186_100011934791 [1,0,0,1,0,0|2,0,0]=4 24231 B11R1.18 OC[C@H]1CCCN1CCCF 34a_100000745186_100011934791 [1,0,0,1,0,0|2,0,0]=4 24232 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [1,0,0,1,0,0|2,0,0]=4 24233 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [1,0,0,1,0,0|2,0,0]=4 24234 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [1,0,0,1,0,0|2,0,0]=4 24235 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [1,0,0,1,0,0|2,0,0]=4 24236 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [1,0,0,1,0,0|2,0,0]=4 24237 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [1,0,0,1,0,0|2,0,0]=4 24238 B11R1.28 CCCCCN1CCOCC1 2230a_100015191051_100000210326 [1,0,0,1,0,0|2,0,0]=4 24239 B11R1.28 CCCCCN1CCOCC1 269982a_100015191051_100000210215 [1,0,0,1,0,0|2,0,0]=4 24240 B11R1.28 CCCCCN1CCOCC1 34a_100015191051_100000718602 [1,0,0,1,0,0|2,0,0]=4 24241 B11R1.28 CCCCCN1CCSCC1 2230a_100000737611_100000210326 [1,0,0,1,0,0|2,0,0]=4 24242 B11R1.28 CCCCCN1CCSCC1 269982a_100000737611_100000210215 [1,0,0,1,0,0|2,0,0]=4 24243 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [1,0,0,1,0,0|1,0,0]=3 24244 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [1,0,0,1,0,0|1,0,0]=3 24245 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [1,0,0,1,0,0|1,0,0]=3 24246 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [1,0,0,1,0,0|1,0,0]=3 24247 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [1,0,0,1,0,0|2,0,0]=4 24248 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [1,0,0,1,0,0|2,0,0]=4 24249 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [1,0,0,1,0,0|2,0,0]=4 24250 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [1,0,0,1,0,0|2,0,0]=4 24251 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [1,0,0,1,0,0|2,0,0]=4 24252 B11R1.28 CCCCNC1CCNCC1 270004a_100000102301_100015192401 [1,0,0,1,0,0|2,0,0]=4 24253 B11R1.28 CCCCNC1CCOCC1 2230a_100000741149_100000210211 [1,0,0,1,0,0|2,0,0]=4 24254 B11R1.28 CCCCNC1CCOCC1 270004a_100000102301_100011217826 [1,0,0,1,0,0|2,0,0]=4 24255 B11R1.28 CCCCNC1CCOCC1 34a_100000741149_100000210210 [1,0,0,1,0,0|2,0,0]=4 24256 B11R1.28 CCCCNC1CCOCC1 7a_106832991798_100000686592 [1,0,0,1,0,0|2,0,0]=4 24257 B11R1.28 CCCCNC1CCSCC1 2230a_100000748639_100000210211 [1,0,0,1,0,0|2,0,0]=4 24258 B11R1.28 CCCCNC1CCSCC1 270004a_100000102301_100000203788 [1,0,0,1,0,0|2,0,0]=4 24259 B11R1.28 CCCCNC1CCSCC1 34a_100000748639_100000210210 [1,0,0,1,0,0|2,0,0]=4 24260 B11R1.28 CCCCNC1CCSCC1 7a_106832991798_100011500858 [1,0,0,1,0,0|2,0,0]=4 24261 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [1,0,0,1,0,0|1,0,0]=3 24262 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [1,0,0,1,0,0|1,0,0]=3 24263 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [1,0,0,1,0,0|1,0,0]=3 24264 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [1,0,0,1,0,0|1,0,0]=3 24265 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,1,0,0|1,0,0]=3 24266 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [1,0,0,1,0,0|2,0,0]=4 24267 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [1,0,0,1,0,0|2,0,0]=4 24268 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [1,0,0,1,0,0|2,0,0]=4 24269 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [1,0,0,1,0,0|2,0,0]=4 24270 B11R1.28 CCCCOC1CCOCC1 34a_100000744328_100000210210 [1,0,0,1,0,0|2,0,0]=4 24271 B11R1.28 CCCCOC1CCOCC1 7a_100000210227_100000686592 [1,0,0,1,0,0|2,0,0]=4 24272 B11R1.28 CCCCOC1CCSCC1 34a_100000210227_100000069128 [1,0,0,1,0,0|2,0,0]=4 24273 B11R1.28 CCCCOC1CCSCC1 34a_100000731022_100000210210 [1,0,0,1,0,0|2,0,0]=4 24274 B11R1.28 CCCCOC1CCSCC1 7a_100000210227_100011500858 [1,0,0,1,0,0|2,0,0]=4 24275 B11R1.28 CCCCOC1CCSCC1 7a_100000731022_100000210211 [1,0,0,1,0,0|2,0,0]=4 24276 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [1,0,0,1,0,0|1,0,0]=3 24277 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [1,0,0,1,0,0|1,0,0]=3 24278 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [1,0,0,1,0,0|2,0,0]=4 24279 B11R1.28 CCCCSC1CCOCC1 62a_100000210211_100011324220 [1,0,0,1,0,0|2,0,0]=4 24280 B11R1.28 CCCCSC1CCSCC1 62a_100000210211_100000069128 [1,0,0,1,0,0|2,0,0]=4 24281 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [1,0,0,1,0,0|1,0,0]=3 24282 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [1,0,0,1,0,0|1,0,0]=3 24283 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [1,0,0,1,0,0|1,0,0]=3 24284 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,1,0,0|1,0,0]=3 24285 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,1,0,0|1,0,0]=3 24286 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [1,0,0,1,0,0|2,0,0]=4 24287 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [1,0,0,1,0,0|2,0,0]=4 24288 B11R1.28 CCCNCC1CCOCC1 2230a_100000746373_100000210303 [1,0,0,1,0,0|2,0,0]=4 24289 B11R1.28 CCCNCC1CCOCC1 269862a_100020643023_100000749017 [1,0,0,1,0,0|2,0,0]=4 24290 B11R1.28 CCCNCC1CCOCC1 34a_100000746373_100000210303 [1,0,0,1,0,0|2,0,0]=4 24291 B11R1.28 CCCNCC1CCSCC1 2230a_100015188806_100000210303 [1,0,0,1,0,0|2,0,0]=4 24292 B11R1.28 CCCNCC1CCSCC1 269862a_100020643023_100000067145 [1,0,0,1,0,0|2,0,0]=4 24293 B11R1.28 CCCNCC1CCSCC1 270004a_100020643023_100000067145 [1,0,0,1,0,0|2,0,0]=4 24294 B11R1.28 CCCNCC1CCSCC1 34a_100015188806_100000210303 [1,0,0,1,0,0|2,0,0]=4 24295 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [1,0,0,1,0,0|2,0,0]=4 24296 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [1,0,0,1,0,0|2,0,0]=4 24297 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,0,0,1,0,0|1,0,0]=3 24298 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,0,0,1,0,0|1,0,0]=3 24299 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,0,0,1,0,0|1,0,0]=3 24300 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [1,0,0,1,0,0|2,0,0]=4 24301 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,1,0,0|1,0,0]=3 24302 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,1,0,0|1,0,0]=3 24303 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,1,0,0|1,0,0]=3 24304 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [1,0,0,1,0,0|2,0,0]=4 24305 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [1,0,0,1,0,0|2,0,0]=4 24306 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [1,0,0,1,0,0|2,0,0]=4 24307 B11R1.28 CCCOCC1CCNCC1 34a_100000738675_100000210303 [1,0,0,1,0,0|2,0,0]=4 24308 B11R1.28 CCCOCC1CCOCC1 34a_100000210258_100000754603 [1,0,0,1,0,0|2,0,0]=4 24309 B11R1.28 CCCOCC1CCOCC1 34a_100000749013_100000210303 [1,0,0,1,0,0|2,0,0]=4 24310 B11R1.28 CCCOCC1CCSCC1 34a_100000070558_100000210303 [1,0,0,1,0,0|2,0,0]=4 24311 B11R1.28 CCCOCC1CCSCC1 7a_100000070558_100000210303 [1,0,0,1,0,0|2,0,0]=4 24312 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [1,0,0,1,0,0|2,0,0]=4 24313 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [1,0,0,1,0,0|2,0,0]=4 24314 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [1,0,0,1,0,0|1,0,0]=3 24315 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [1,0,0,1,0,0|1,0,0]=3 24316 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,1,0,0|1,0,0]=3 24317 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,1,0,0|1,0,0]=3 24318 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [1,0,0,1,0,0|2,0,0]=4 24319 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [1,0,0,1,0,0|2,0,0]=4 24320 B11R1.28 CCCSCC1CCOCC1 62a_100000210303_100000749018 [1,0,0,1,0,0|2,0,0]=4 24321 B11R1.28 CCCSCC1CCOCC1 62a_100000754603_100000210303 [1,0,0,1,0,0|2,0,0]=4 24322 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,1,0,0|1,0,0]=3 24323 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,1,0,0|1,0,0]=3 24324 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,1,0,0|1,0,0]=3 24325 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,1,0,0|1,0,0]=3 24326 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,1,0,0|1,0,0]=3 24327 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,1,0,0|1,0,0]=3 24328 B11R1.28 CCNCCC1CCOCC1 2230a_100000755988_100000210202 [1,0,0,1,0,0|2,0,0]=4 24329 B11R1.28 CCNCCC1CCOCC1 2230a_100015525214_100011934994 [1,0,0,1,0,0|2,0,0]=4 24330 B11R1.28 CCNCCC1CCOCC1 34a_100000755988_100000210202 [1,0,0,1,0,0|2,0,0]=4 24331 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [1,0,0,1,0,0|2,0,0]=4 24332 B11R1.28 CCNCCN1CCCCC1 2230a_100015525214_100000739454 [1,0,0,1,0,0|2,0,0]=4 24333 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [1,0,0,1,0,0|2,0,0]=4 24334 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,1,0,0|1,0,0]=3 24335 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,1,0,0|1,0,0]=3 24336 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,1,0,0|1,0,0]=3 24337 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [1,0,0,1,0,0|2,0,0]=4 24338 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [1,0,0,1,0,0|2,0,0]=4 24339 B11R1.28 CCOCCC1CCNCC1 34a_100015190746_100000210202 [1,0,0,1,0,0|2,0,0]=4 24340 B11R1.28 CCOCCC1CCOCC1 34a_100011933979_100000210202 [1,0,0,1,0,0|2,0,0]=4 24341 B11R1.28 CCOCCC1CCOCC1 34a_100121572206_100011934994 [1,0,0,1,0,0|2,0,0]=4 24342 B11R1.28 CCOCCC1CCOCC1 7a_100011933979_100000210202 [1,0,0,1,0,0|2,0,0]=4 24343 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [1,0,0,1,0,0|2,0,0]=4 24344 B11R1.28 CCOCCN1CCCCC1 34a_100121572206_100000739454 [1,0,0,1,0,0|2,0,0]=4 24345 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [1,0,0,1,0,0|2,0,0]=4 24346 B11R1.28 CCOCSC1CCCCC1 62a_100000210327_100000739092 [1,0,0,1,0,0|2,0,0]=4 24347 B11R1.28 CCOCSC1CCCCC1 62a_100000739092_100000210327 [1,0,0,1,0,0|2,0,0]=4 24348 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,1,0,0|1,0,0]=3 24349 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,1,0,0|1,0,0]=3 24350 B11R1.28 CCSCCC1CCOCC1 62a_100000210202_100011934994 [1,0,0,1,0,0|2,0,0]=4 24351 B11R1.28 CCSCCC1CCOCC1 62a_100011934994_100000210202 [1,0,0,1,0,0|2,0,0]=4 24352 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [1,0,0,1,0,0|2,0,0]=4 24353 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [1,0,0,1,0,0|2,0,0]=4 24354 B11R1.28 CCSCCN1CCCCC1 62a_100000210202_100000739454 [1,0,0,1,0,0|2,0,0]=4 24355 B11R1.28 CCSCCN1CCCCC1 62a_100000739454_100000210202 [1,0,0,1,0,0|2,0,0]=4 24356 B11R1.28 CCSCOC1CCCCC1 62a_100000210202_100011935260 [1,0,0,1,0,0|2,0,0]=4 24357 B11R1.28 CCSCOC1CCCCC1 62a_100011935260_100000210202 [1,0,0,1,0,0|2,0,0]=4 24358 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|1,0,0]=3 24359 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|1,0,0]=3 24360 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|1,0,0]=3 24361 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|1,0,0]=3 24362 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|1,0,0]=3 24363 B11R1.28 CNCCCN1CCCCC1 2230a_106832991635_100000690320 [1,0,0,1,0,0|2,0,0]=4 24364 B11R1.28 CNCCCN1CCCCC1 34a_100102657272_100000690320 [1,0,0,1,0,0|2,0,0]=4 24365 B11R1.28 CNCCCN1CCCCC1 7a_106832991635_100000007876 [1,0,0,1,0,0|2,0,0]=4 24366 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [1,0,0,1,0,0|2,0,0]=4 24367 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [1,0,0,1,0,0|2,0,0]=4 24368 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [1,0,0,1,0,0|2,0,0]=4 24369 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [1,0,0,1,0,0|2,0,0]=4 24370 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [1,0,0,1,0,0|2,0,0]=4 24371 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [1,0,0,1,0,0|2,0,0]=4 24372 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [1,0,0,1,0,0|2,0,0]=4 24373 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|1,0,0]=3 24374 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|1,0,0]=3 24375 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|1,0,0]=3 24376 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [1,0,0,1,0,0|2,0,0]=4 24377 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [1,0,0,1,0,0|2,0,0]=4 24378 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [1,0,0,1,0,0|2,0,0]=4 24379 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [1,0,0,1,0,0|2,0,0]=4 24380 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [1,0,0,1,0,0|2,0,0]=4 24381 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [1,0,0,1,0,0|2,0,0]=4 24382 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [1,0,0,1,0,0|2,0,0]=4 24383 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [1,0,0,1,0,0|2,0,0]=4 24384 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [1,0,0,1,0,0|2,0,0]=4 24385 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [1,0,0,1,0,0|2,0,0]=4 24386 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [1,0,0,1,0,0|2,0,0]=4 24387 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [1,0,0,1,0,0|2,0,0]=4 24388 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [1,0,0,1,0,0|2,0,0]=4 24389 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [1,0,0,1,0,0|2,0,0]=4 24390 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [1,0,0,1,0,0|2,0,0]=4 24391 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [1,0,0,1,0,0|2,0,0]=4 24392 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [1,0,0,1,0,0|2,0,0]=4 24393 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [1,0,0,1,0,0|2,0,0]=4 24394 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [1,0,0,1,0,0|2,0,0]=4 24395 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [1,0,0,1,0,0|2,0,0]=4 24396 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [1,0,0,1,0,0|2,0,0]=4 24397 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [1,0,0,1,0,0|2,0,0]=4 24398 B11R1.28 COCNCC1CCCCO1 2230a_100000174945_100000766300 [1,0,0,1,0,0|2,0,0]=4 24399 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [1,0,0,1,0,0|2,0,0]=4 24400 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [1,0,0,1,0,0|2,0,0]=4 24401 B11R1.28 COCSCC1CCCCO1 62a_100000211543_100000766300 [1,0,0,1,0,0|2,0,0]=4 24402 B11R1.28 COCSCC1CCCCO1 62a_100000766300_100000211543 [1,0,0,1,0,0|2,0,0]=4 24403 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|1,0,0]=3 24404 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|1,0,0]=3 24405 B11R1.28 CSCCCN1CCCCC1 62a_100132302099_200000210301 [1,0,0,1,0,0|2,0,0]=4 24406 B11R1.28 CSCCCN1CCCCC1 62a_200000210301_100000007876 [1,0,0,1,0,0|2,0,0]=4 24407 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [1,0,0,1,0,0|2,0,0]=4 24408 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [1,0,0,1,0,0|2,0,0]=4 24409 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [1,0,0,1,0,0|2,0,0]=4 24410 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [1,0,0,1,0,0|2,0,0]=4 24411 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [1,0,0,1,0,0|2,0,0]=4 24412 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [1,0,0,1,0,0|2,0,0]=4 24413 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [1,0,0,1,0,0|2,0,0]=4 24414 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [1,0,0,1,0,0|2,0,0]=4 24415 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [1,0,0,1,0,0|2,0,0]=4 24416 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [1,0,0,1,0,0|2,0,0]=4 24417 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [1,0,0,1,0,0|2,0,0]=4 24418 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [1,0,0,1,0,0|2,0,0]=4 24419 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [1,0,0,1,0,0|2,0,0]=4 24420 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [1,0,0,1,0,0|2,0,0]=4 24421 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [1,0,0,1,0,0|2,0,0]=4 24422 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [1,0,0,1,0,0|2,0,0]=4 24423 B11R1.28 CSCNCC1CCCCO1 2230a_100000174945_100011218213 [1,0,0,1,0,0|2,0,0]=4 24424 B11R1.28 CSCNCC1CCCCO1 34a_100000174945_100011218213 [1,0,0,1,0,0|2,0,0]=4 24425 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [1,0,0,1,0,0|2,0,0]=4 24426 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [1,0,0,1,0,0|2,0,0]=4 24427 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [1,0,0,1,0,0|2,0,0]=4 24428 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [1,0,0,1,0,0|2,0,0]=4 24429 B11R1.28 CSCSCC1CCCCO1 62a_100000211543_100011218213 [1,0,0,1,0,0|2,0,0]=4 24430 B11R1.28 CSCSCC1CCCCO1 62a_100011218213_100000211543 [1,0,0,1,0,0|2,0,0]=4 24431 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [1,0,0,1,0,0|2,0,0]=4 24432 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [1,0,0,1,0,0|2,0,0]=4 24433 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [1,0,0,1,0,0|2,0,0]=4 24434 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [1,0,0,1,0,0|2,0,0]=4 24435 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [1,0,0,1,0,0|2,0,0]=4 24436 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [1,0,0,1,0,0|2,0,0]=4 24437 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [1,0,0,1,0,0|2,0,0]=4 24438 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [1,0,0,1,0,0|2,0,0]=4 24439 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [1,0,0,1,0,0|2,0,0]=4 24440 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [1,0,0,1,0,0|2,0,0]=4 24441 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [1,0,0,1,0,0|2,0,0]=4 24442 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [1,0,0,1,0,0|2,0,0]=4 24443 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [1,0,0,1,0,0|2,0,0]=4 24444 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [1,0,0,1,0,0|2,0,0]=4 24445 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [1,0,0,1,0,0|2,0,0]=4 24446 B11R1.28 FCCNCC1CCCCO1 2230a_100000174945_100011217306 [1,0,0,1,0,0|2,0,0]=4 24447 B11R1.28 FCCNCC1CCCCO1 34a_100000174945_100011217306 [1,0,0,1,0,0|2,0,0]=4 24448 B11R1.28 FCCNCC1CCCCO1 34a_100000724931_100000211543 [1,0,0,1,0,0|2,0,0]=4 24449 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [1,0,0,1,0,0|2,0,0]=4 24450 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [1,0,0,1,0,0|2,0,0]=4 24451 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [1,0,0,1,0,0|2,0,0]=4 24452 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [1,0,0,1,0,0|2,0,0]=4 24453 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [1,0,0,1,0,0|2,0,0]=4 24454 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [1,0,0,1,0,0|2,0,0]=4 24455 B11R1.28 FCCSCC1CCCCO1 62a_100000211543_100011217306 [1,0,0,1,0,0|2,0,0]=4 24456 B11R1.28 FCCSCC1CCCCO1 62a_100011217306_100000211543 [1,0,0,1,0,0|2,0,0]=4 24457 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [1,0,0,1,0,0|2,0,0]=4 24458 B11R1.28 FCNCCC1CCCCO1 34a_100015183643_100015361967 [1,0,0,1,0,0|2,0,0]=4 24459 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [1,0,0,1,0,0|2,0,0]=4 24460 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [1,0,0,1,0,0|2,0,0]=4 24461 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [1,0,0,1,0,0|2,0,0]=4 24462 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [1,0,0,1,0,0|2,0,0]=4 24463 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [1,0,0,1,0,0|2,0,0]=4 24464 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [1,0,0,1,0,0|2,0,0]=4 24465 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [1,0,0,1,0,0|2,0,0]=4 24466 B11R1.28 OCCCCN1CCCOC1 2230a_100000131196_100000210776 [1,0,0,1,0,0|2,0,0]=4 24467 B11R1.28 OCCCCN1CCCOC1 269982a_100000131196_100000210776 [1,0,0,1,0,0|2,0,0]=4 24468 B11R1.28 OCCCCN1CCCOC1 34a_100000131196_100011216708 [1,0,0,1,0,0|2,0,0]=4 24469 B11R1.28 OCCCCN1CCOCC1 2230a_100015191051_100000210776 [1,0,0,1,0,0|2,0,0]=4 24470 B11R1.28 OCCCCN1CCOCC1 269982a_100015191051_100000210776 [1,0,0,1,0,0|2,0,0]=4 24471 B11R1.28 OCCCCN1CCOCC1 34a_100015191051_100011216708 [1,0,0,1,0,0|2,0,0]=4 24472 B11R1.28 OCCCCN1CCSCC1 2230a_100000737611_100000210776 [1,0,0,1,0,0|2,0,0]=4 24473 B11R1.28 OCCCCN1CCSCC1 269982a_100000737611_100000210776 [1,0,0,1,0,0|2,0,0]=4 24474 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [1,0,0,1,0,0|1,0,0]=3 24475 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [1,0,0,1,0,0|1,0,0]=3 24476 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [1,0,0,1,0,0|1,0,0]=3 24477 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [1,0,0,1,0,0|2,0,0]=4 24478 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [1,0,0,1,0,0|2,0,0]=4 24479 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [1,0,0,1,0,0|2,0,0]=4 24480 B11R1.28 OCCCNC1CCCSC1 270004a_100000182051_100000057913 [1,0,0,1,0,0|2,0,0]=4 24481 B11R1.28 OCCCNC1CCNCC1 270004a_100000182051_100015192401 [1,0,0,1,0,0|2,0,0]=4 24482 B11R1.28 OCCCNC1CCOCC1 2230a_100000741149_100000230001 [1,0,0,1,0,0|2,0,0]=4 24483 B11R1.28 OCCCNC1CCOCC1 270004a_100000182051_100011217826 [1,0,0,1,0,0|2,0,0]=4 24484 B11R1.28 OCCCNC1CCOCC1 34a_100000741149_100000230001 [1,0,0,1,0,0|2,0,0]=4 24485 B11R1.28 OCCCNC1CCSCC1 2230a_100000748639_100000230001 [1,0,0,1,0,0|2,0,0]=4 24486 B11R1.28 OCCCNC1CCSCC1 270004a_100000182051_100000203788 [1,0,0,1,0,0|2,0,0]=4 24487 B11R1.28 OCCCNC1CCSCC1 34a_100000748639_100000230001 [1,0,0,1,0,0|2,0,0]=4 24488 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [1,0,0,1,0,0|1,0,0]=3 24489 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [1,0,0,1,0,0|1,0,0]=3 24490 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [1,0,0,1,0,0|2,0,0]=4 24491 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [1,0,0,1,0,0|2,0,0]=4 24492 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [1,0,0,1,0,0|2,0,0]=4 24493 B11R1.28 OCCCOC1CCOCC1 34a_100000744328_100000230001 [1,0,0,1,0,0|2,0,0]=4 24494 B11R1.28 OCCCOC1CCSCC1 34a_100000731022_100000230001 [1,0,0,1,0,0|2,0,0]=4 24495 B11R1.28 OCCCOC1CCSCC1 7a_100000731022_100011215043 [1,0,0,1,0,0|2,0,0]=4 24496 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [1,0,0,1,0,0|1,0,0]=3 24497 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [1,0,0,1,0,0|1,0,0]=3 24498 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [1,0,0,1,0,0|2,0,0]=4 24499 B11R1.28 OCCCSC1CCOCC1 62a_100011215043_100011324220 [1,0,0,1,0,0|2,0,0]=4 24500 B11R1.28 OCCCSC1CCSCC1 62a_100011215043_100000069128 [1,0,0,1,0,0|2,0,0]=4 24501 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [1,0,0,1,0,0|1,0,0]=3 24502 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [1,0,0,1,0,0|1,0,0]=3 24503 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [1,0,0,1,0,0|1,0,0]=3 24504 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [1,0,0,1,0,0|1,0,0]=3 24505 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [1,0,0,1,0,0|1,0,0]=3 24506 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [1,0,0,1,0,0|2,0,0]=4 24507 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [1,0,0,1,0,0|2,0,0]=4 24508 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [1,0,0,1,0,0|2,0,0]=4 24509 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [1,0,0,1,0,0|2,0,0]=4 24510 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [1,0,0,1,0,0|2,0,0]=4 24511 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [1,0,0,1,0,0|2,0,0]=4 24512 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [1,0,0,1,0,0|2,0,0]=4 24513 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [1,0,0,1,0,0|2,0,0]=4 24514 B11R1.28 OCCNCC1CCOCC1 2230a_100000746373_100000211926 [1,0,0,1,0,0|2,0,0]=4 24515 B11R1.28 OCCNCC1CCOCC1 2230a_100016997473_100000754603 [1,0,0,1,0,0|2,0,0]=4 24516 B11R1.28 OCCNCC1CCOCC1 269862a_100000210304_100000749017 [1,0,0,1,0,0|2,0,0]=4 24517 B11R1.28 OCCNCC1CCOCC1 34a_100000746373_100000211926 [1,0,0,1,0,0|2,0,0]=4 24518 B11R1.28 OCCNCC1CCOCC1 34a_100016990907_100000754603 [1,0,0,1,0,0|2,0,0]=4 24519 B11R1.28 OCCNCC1CCSCC1 2230a_100015188806_100000211926 [1,0,0,1,0,0|2,0,0]=4 24520 B11R1.28 OCCNCC1CCSCC1 269862a_100000210304_100000067145 [1,0,0,1,0,0|2,0,0]=4 24521 B11R1.28 OCCNCC1CCSCC1 270004a_100000210304_100000067145 [1,0,0,1,0,0|2,0,0]=4 24522 B11R1.28 OCCNCC1CCSCC1 34a_100015188806_100000211926 [1,0,0,1,0,0|2,0,0]=4 24523 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [1,0,0,1,0,0|1,0,0]=3 24524 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [1,0,0,1,0,0|1,0,0]=3 24525 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 24526 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [1,0,0,1,0,0|2,0,0]=4 24527 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [1,0,0,1,0,0|2,0,0]=4 24528 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [1,0,0,1,0,0|2,0,0]=4 24529 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [1,0,0,1,0,0|2,0,0]=4 24530 B11R1.28 OCCOCC1CCNCC1 34a_100000738675_100000211926 [1,0,0,1,0,0|2,0,0]=4 24531 B11R1.28 OCCOCC1CCOCC1 34a_100000749013_100000211926 [1,0,0,1,0,0|2,0,0]=4 24532 B11R1.28 OCCOCC1CCSCC1 34a_100000070558_100000211926 [1,0,0,1,0,0|2,0,0]=4 24533 B11R1.28 OCCOCC1CCSCC1 7a_100000070558_100000211926 [1,0,0,1,0,0|2,0,0]=4 24534 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [1,0,0,1,0,0|1,0,0]=3 24535 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [1,0,0,1,0,0|1,0,0]=3 24536 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [1,0,0,1,0,0|2,0,0]=4 24537 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [1,0,0,1,0,0|2,0,0]=4 24538 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [1,0,0,1,0,0|2,0,0]=4 24539 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [1,0,0,1,0,0|2,0,0]=4 24540 B11R1.28 OCCSCC1CCOCC1 62a_100000211926_100000749018 [1,0,0,1,0,0|2,0,0]=4 24541 B11R1.28 OCCSCC1CCOCC1 62a_100000754603_100000211926 [1,0,0,1,0,0|2,0,0]=4 24542 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|1,0,0]=3 24543 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|1,0,0]=3 24544 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [1,0,0,1,0,0|2,0,0]=4 24545 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|1,0,0]=3 24546 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|1,0,0]=3 24547 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [1,0,0,1,0,0|2,0,0]=4 24548 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [1,0,0,1,0,0|2,0,0]=4 24549 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [1,0,0,1,0,0|2,0,0]=4 24550 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [1,0,0,1,0,0|2,0,0]=4 24551 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [1,0,0,1,0,0|2,0,0]=4 24552 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [1,0,0,1,0,0|2,0,0]=4 24553 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [1,0,0,1,0,0|2,0,0]=4 24554 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [1,0,0,1,0,0|2,0,0]=4 24555 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [1,0,0,1,0,0|2,0,0]=4 24556 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|1,0,0]=3 24557 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|1,0,0]=3 24558 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_100132302099_200025704644 [1,0,0,1,0,0|2,0,0]=4 24559 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_200025704644_100000007876 [1,0,0,1,0,0|2,0,0]=4 24560 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [1,0,0,1,0,0|2,0,0]=4 24561 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [1,0,0,1,0,0|2,0,0]=4 24562 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [1,0,0,1,0,0|2,0,0]=4 24563 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [1,0,0,1,0,0|2,0,0]=4 24564 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [1,0,0,1,0,0|2,0,0]=4 24565 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [1,0,0,1,0,0|2,0,0]=4 24566 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [1,0,0,1,0,0|2,0,0]=4 24567 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [1,0,0,1,0,0|2,0,0]=4 24568 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [1,0,0,1,0,0|2,0,0]=4 24569 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [1,0,0,1,0,0|1,0,0]=3 24570 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [1,0,0,1,0,0|1,0,0]=3 24571 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [1,0,0,1,0,0|1,0,0]=3 24572 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [1,0,0,1,0,0|2,0,0]=4 24573 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [1,0,0,1,0,0|2,0,0]=4 24574 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [1,0,0,1,0,0|2,0,0]=4 24575 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [1,0,0,1,0,0|2,0,0]=4 24576 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [1,0,0,1,0,0|2,0,0]=4 24577 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|1,0,0]=3 24578 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|1,0,0]=3 24579 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|1,0,0]=3 24580 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|1,0,0]=3 24581 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|1,0,0]=3 24582 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|1,0,0]=3 24583 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|1,0,0]=3 24584 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|1,0,0]=3 24585 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|1,0,0]=3 24586 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [1,0,0,1,0,0|2,0,0]=4 24587 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [1,0,0,1,0,0|2,0,0]=4 24588 B11R1.41 CCCC1COCCN1CC 2230a_102495339903_100000210202 [1,0,0,1,0,0|2,0,0]=4 24589 B11R1.41 CCCC1COCCN1CC 269982a_102495339903_100000204670 [1,0,0,1,0,0|2,0,0]=4 24590 B11R1.41 CCCC1COCCN1CC 34a_102495339903_100000210202 [1,0,0,1,0,0|2,0,0]=4 24591 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [1,0,0,1,0,0|1,0,0]=3 24592 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [1,0,0,1,0,0|1,0,0]=3 24593 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [1,0,0,1,0,0|1,0,0]=3 24594 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [1,0,0,1,0,0|1,0,0]=3 24595 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [1,0,0,1,0,0|1,0,0]=3 24596 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [1,0,0,1,0,0|1,0,0]=3 24597 B11R1.41 CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210303 [1,0,0,1,0,0|2,0,0]=4 24598 B11R1.41 CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210303 [1,0,0,1,0,0|2,0,0]=4 24599 B11R1.41 CCCN1CCOC[C@@H]1CC 34a_100016988097_100000210303 [1,0,0,1,0,0|2,0,0]=4 24600 B11R1.41 CCCN1CCOC[C@H]1CO 2230a_100000717676_100000210303 [1,0,0,1,0,0|2,0,0]=4 24601 B11R1.41 CCCN1CCOC[C@H]1CO 269982a_100000717676_100000210303 [1,0,0,1,0,0|2,0,0]=4 24602 B11R1.41 CCCN1CCOC[C@H]1CO 34a_100000717676_100000210303 [1,0,0,1,0,0|2,0,0]=4 24603 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [1,0,0,1,0,0|1,0,0]=3 24604 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [1,0,0,1,0,0|1,0,0]=3 24605 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,0]=3 24606 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [1,0,0,1,0,0|2,0,0]=4 24607 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [1,0,0,1,0,0|2,0,0]=4 24608 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [1,0,0,1,0,0|2,0,0]=4 24609 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [1,0,0,1,0,0|2,0,0]=4 24610 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [1,0,0,1,0,0|2,0,0]=4 24611 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [1,0,0,1,0,0|2,0,0]=4 24612 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [1,0,0,1,0,0|2,0,0]=4 24613 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [1,0,0,1,0,0|2,0,0]=4 24614 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [1,0,0,1,0,0|2,0,0]=4 24615 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [1,0,0,1,0,0|2,0,0]=4 24616 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [1,0,0,1,0,0|2,0,0]=4 24617 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|1,0,0]=3 24618 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|1,0,0]=3 24619 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [1,0,0,1,0,0|1,0,0]=3 24620 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [1,0,0,1,0,0|2,0,0]=4 24621 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [1,0,0,1,0,0|2,0,0]=4 24622 B11R1.41 CCNC1CCOCC1CO 2230a_214813039666_100000210202 [1,0,0,1,0,0|2,0,0]=4 24623 B11R1.41 CCNC1CCOCC1CO 34a_214813039666_100000210202 [1,0,0,1,0,0|2,0,0]=4 24624 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|1,0,0]=3 24625 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|1,0,0]=3 24626 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [1,0,0,1,0,0|2,0,0]=4 24627 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [1,0,0,1,0,0|2,0,0]=4 24628 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [1,0,0,1,0,0|2,0,0]=4 24629 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [1,0,0,1,0,0|2,0,0]=4 24630 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [1,0,0,1,0,0|2,0,0]=4 24631 B11R1.41 CC[C@H]1COCCN1CCO 2230a_100016988097_100000211926 [1,0,0,1,0,0|2,0,0]=4 24632 B11R1.41 CC[C@H]1COCCN1CCO 269982a_100016988097_100000211926 [1,0,0,1,0,0|2,0,0]=4 24633 B11R1.41 CC[C@H]1COCCN1CCO 34a_100016988097_100000211926 [1,0,0,1,0,0|2,0,0]=4 24634 B11R1.41 COCN1CCCCC1CO 2230a_100000210821_100000766300 [1,0,0,1,0,0|2,0,0]=4 24635 B11R1.41 COCN1CCCCC1CO 269982a_100000210821_100000766300 [1,0,0,1,0,0|2,0,0]=4 24636 B11R1.41 CSCN1CCCCC1CO 2230a_100000210821_100011218213 [1,0,0,1,0,0|2,0,0]=4 24637 B11R1.41 CSCN1CCCCC1CO 269982a_100000210821_100011218213 [1,0,0,1,0,0|2,0,0]=4 24638 B11R1.41 CSCN1CCCCC1CO 34a_100000210821_100011218213 [1,0,0,1,0,0|2,0,0]=4 24639 B11R1.41 OCC1CCCCN1CCF 2230a_100000210821_100011217306 [1,0,0,1,0,0|2,0,0]=4 24640 B11R1.41 OCC1CCCCN1CCF 269982a_100000210821_100011217306 [1,0,0,1,0,0|2,0,0]=4 24641 B11R1.41 OCC1CCCCN1CCF 34a_100000210821_100011217306 [1,0,0,1,0,0|2,0,0]=4 24642 B11R1.41 OCCC1CCCCN1CF 269982a_100000211664_100015361967 [1,0,0,1,0,0|2,0,0]=4 24643 B11R1.41 OCCC1CCCCN1CF 34a_100000211664_100015361967 [1,0,0,1,0,0|2,0,0]=4 24644 B11R1.41 OCCN1CCCCC1CO 2230a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 24645 B11R1.41 OCCN1CCCCC1CO 269982a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 24646 B11R1.41 OCCN1CCCCC1CO 34a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 24647 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [1,0,0,1,0,0|2,0,0]=4 24648 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [1,0,0,1,0,0|2,0,0]=4 24649 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [1,0,0,1,0,0|1,0,0]=3 24650 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [1,0,0,1,0,0|1,0,0]=3 24651 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [1,0,0,1,0,0|2,0,0]=4 24652 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [1,0,0,1,0,0|2,0,0]=4 24653 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [1,0,0,1,0,0|2,0,0]=4 24654 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [1,0,0,1,0,0|1,0,0]=3 24655 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [1,0,0,1,0,0|1,0,0]=3 24656 B11R1.46 CCOCCOCC1CC1C 34a_100000744939_100000210147 [1,0,0,1,0,0|2,0,0]=4 24657 B11R1.46 CCOCCOCC1CC1C 7a_100000744939_100011215890 [1,0,0,1,0,0|2,0,0]=4 24658 B11R1.46 CCSCCOCC1CC1C 34a_100000744939_100000757381 [1,0,0,1,0,0|2,0,0]=4 24659 B11R1.46 CCSCCOCC1CC1C 7a_100000744939_100000757381 [1,0,0,1,0,0|2,0,0]=4 24660 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [1,0,0,1,0,0|2,0,0]=4 24661 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [1,0,0,1,0,0|2,0,0]=4 24662 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000746330 [1,0,0,1,0,0|2,0,0]=4 24663 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000746330 [1,0,0,1,0,0|2,0,0]=4 24664 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000746330 [1,0,0,1,0,0|2,0,0]=4 24665 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [1,0,0,1,0,0|2,0,0]=4 24666 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [1,0,0,1,0,0|2,0,0]=4 24667 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [1,0,0,1,0,0|2,0,0]=4 24668 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [1,0,0,1,0,0|1,0,0]=3 24669 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [1,0,0,1,0,0|1,0,0]=3 24670 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [1,0,0,1,0,0|1,0,0]=3 24671 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [1,0,0,1,0,0|1,0,0]=3 24672 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [1,0,0,1,0,0|2,0,0]=4 24673 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [1,0,0,1,0,0|1,0,0]=3 24674 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [1,0,0,1,0,0|1,0,0]=3 24675 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [1,0,0,1,0,0|2,0,0]=4 24676 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [1,0,0,1,0,0|2,0,0]=4 24677 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [1,0,0,1,0,0|2,0,0]=4 24678 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [1,0,0,1,0,0|1,0,0]=3 24679 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [1,0,0,1,0,0|2,0,0]=4 24680 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [1,0,0,1,0,0|1,0,0]=3 24681 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [1,0,0,1,0,0|1,0,0]=3 24682 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [1,0,0,1,0,0|1,0,0]=3 24683 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [1,0,0,1,0,0|1,0,0]=3 24684 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,1,0,0|1,0,0]=3 24685 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [1,0,0,1,0,0|2,0,0]=4 24686 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [1,0,0,1,0,0|2,0,0]=4 24687 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [1,0,0,1,0,0|2,0,0]=4 24688 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,1,0,0|1,0,0]=3 24689 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,1,0,0|1,0,0]=3 24690 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [1,0,0,1,0,0|1,0,0]=3 24691 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [1,0,0,1,0,0|1,0,0]=3 24692 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [1,0,0,1,0,0|1,0,0]=3 24693 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,1,0,0|1,0,0]=3 24694 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,1,0,0|1,0,0]=3 24695 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,1,0,0|1,0,0]=3 24696 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [1,0,0,1,0,0|2,0,0]=4 24697 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [1,0,0,1,0,0|2,0,0]=4 24698 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [1,0,0,1,0,0|2,0,0]=4 24699 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [1,0,0,1,0,0|2,0,0]=4 24700 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [1,0,0,1,0,0|1,0,0]=3 24701 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [1,0,0,1,0,0|1,0,0]=3 24702 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,1,0,0|1,0,0]=3 24703 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,1,0,0|1,0,0]=3 24704 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [1,0,0,1,0,0|2,0,0]=4 24705 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [1,0,0,1,0,0|2,0,0]=4 24706 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [1,0,0,1,0,0|2,0,0]=4 24707 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [1,0,0,1,0,0|2,0,0]=4 24708 B11R1.47 CCCCOCNC1CCC1 2230a_100000749019_100011995733 [1,0,0,1,0,0|2,0,0]=4 24709 B11R1.47 CCCCOCNC1CCC1 34a_100000749019_100011995733 [1,0,0,1,0,0|2,0,0]=4 24710 B11R1.47 CCCCOCOC1CCC1 34a_100000748187_100011995733 [1,0,0,1,0,0|2,0,0]=4 24711 B11R1.47 CCCCOCSC1CCC1 62a_100011995733_100000749161 [1,0,0,1,0,0|2,0,0]=4 24712 B11R1.47 CCCOCCNC1CCC1 2230a_100000749019_100011215938 [1,0,0,1,0,0|2,0,0]=4 24713 B11R1.47 CCCOCCNC1CCC1 270004a_100161115042_100000241760 [1,0,0,1,0,0|2,0,0]=4 24714 B11R1.47 CCCOCCNC1CCC1 34a_100000749019_100011215938 [1,0,0,1,0,0|2,0,0]=4 24715 B11R1.47 CCCOCCNC1CCC1 34a_100161115042_100000749161 [1,0,0,1,0,0|2,0,0]=4 24716 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [1,0,0,1,0,0|2,0,0]=4 24717 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [1,0,0,1,0,0|2,0,0]=4 24718 B11R1.47 CCCOCCSC1CCC1 62a_100011215938_100000749161 [1,0,0,1,0,0|2,0,0]=4 24719 B11R1.47 CCCSCCNC1CCC1 270004a_100020603323_100000241760 [1,0,0,1,0,0|2,0,0]=4 24720 B11R1.47 CCCSCCOC1CCC1 34a_200000230433_100000749161 [1,0,0,1,0,0|2,0,0]=4 24721 B11R1.47 CCOCCCNC1CCC1 2230a_100000749019_100012232248 [1,0,0,1,0,0|2,0,0]=4 24722 B11R1.47 CCOCCCNC1CCC1 270004a_100000210961_100000241760 [1,0,0,1,0,0|2,0,0]=4 24723 B11R1.47 CCOCCCNC1CCC1 34a_100000210961_100000749161 [1,0,0,1,0,0|2,0,0]=4 24724 B11R1.47 CCOCCCNC1CCC1 34a_100000749019_100012232248 [1,0,0,1,0,0|2,0,0]=4 24725 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [1,0,0,1,0,0|2,0,0]=4 24726 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [1,0,0,1,0,0|2,0,0]=4 24727 B11R1.47 CCOCCCSC1CCC1 62a_100012232248_100000749161 [1,0,0,1,0,0|2,0,0]=4 24728 B11R1.47 CCOCCNCC1CCC1 2230a_100000738700_100011215890 [1,0,0,1,0,0|2,0,0]=4 24729 B11R1.47 CCOCCNCC1CCC1 2230a_102516460346_100000763275 [1,0,0,1,0,0|2,0,0]=4 24730 B11R1.47 CCOCCNCC1CCC1 269862a_100011200944_100000753134 [1,0,0,1,0,0|2,0,0]=4 24731 B11R1.47 CCOCCNCC1CCC1 34a_100000738700_100000210147 [1,0,0,1,0,0|2,0,0]=4 24732 B11R1.47 CCOCCNCC1CCC1 34a_102516460346_100000763275 [1,0,0,1,0,0|2,0,0]=4 24733 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [1,0,0,1,0,0|2,0,0]=4 24734 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [1,0,0,1,0,0|2,0,0]=4 24735 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [1,0,0,1,0,0|2,0,0]=4 24736 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [1,0,0,1,0,0|2,0,0]=4 24737 B11R1.47 CCOCCOCC1CCC1 34a_100000210136_100000763275 [1,0,0,1,0,0|2,0,0]=4 24738 B11R1.47 CCOCCOCC1CCC1 34a_100000760304_100000210147 [1,0,0,1,0,0|2,0,0]=4 24739 B11R1.47 CCOCCOCC1CCC1 7a_100000210136_100000763275 [1,0,0,1,0,0|2,0,0]=4 24740 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [1,0,0,1,0,0|2,0,0]=4 24741 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [1,0,0,1,0,0|2,0,0]=4 24742 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [1,0,0,1,0,0|2,0,0]=4 24743 B11R1.47 CCOCCSCC1CCC1 62a_100000210147_100000763275 [1,0,0,1,0,0|2,0,0]=4 24744 B11R1.47 CCOCCSCC1CCC1 62a_100000763275_100011215890 [1,0,0,1,0,0|2,0,0]=4 24745 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [1,0,0,1,0,0|2,0,0]=4 24746 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [1,0,0,1,0,0|2,0,0]=4 24747 B11R1.47 CCSCCCOC1CCC1 34a_100011216438_100000749161 [1,0,0,1,0,0|2,0,0]=4 24748 B11R1.47 CCSCCNCC1CCC1 2230a_100000106463_100000763275 [1,0,0,1,0,0|2,0,0]=4 24749 B11R1.47 CCSCCNCC1CCC1 2230a_100000738700_100000757381 [1,0,0,1,0,0|2,0,0]=4 24750 B11R1.47 CCSCCNCC1CCC1 269862a_100000106463_100000753134 [1,0,0,1,0,0|2,0,0]=4 24751 B11R1.47 CCSCCNCC1CCC1 34a_100000738700_100000757381 [1,0,0,1,0,0|2,0,0]=4 24752 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [1,0,0,1,0,0|2,0,0]=4 24753 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [1,0,0,1,0,0|2,0,0]=4 24754 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [1,0,0,1,0,0|2,0,0]=4 24755 B11R1.47 CCSCCOCC1CCC1 34a_100000212035_100000763275 [1,0,0,1,0,0|2,0,0]=4 24756 B11R1.47 CCSCCOCC1CCC1 34a_100000760304_100000757381 [1,0,0,1,0,0|2,0,0]=4 24757 B11R1.47 CCSCCOCC1CCC1 7a_100000212035_100000763275 [1,0,0,1,0,0|2,0,0]=4 24758 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [1,0,0,1,0,0|2,0,0]=4 24759 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [1,0,0,1,0,0|2,0,0]=4 24760 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [1,0,0,1,0,0|2,0,0]=4 24761 B11R1.47 CCSCCSCC1CCC1 62a_100000757381_100000763275 [1,0,0,1,0,0|2,0,0]=4 24762 B11R1.47 CCSCCSCC1CCC1 62a_100000763275_100000757381 [1,0,0,1,0,0|2,0,0]=4 24763 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [1,0,0,1,0,0|2,0,0]=4 24764 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [1,0,0,1,0,0|2,0,0]=4 24765 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [1,0,0,1,0,0|2,0,0]=4 24766 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [1,0,0,1,0,0|2,0,0]=4 24767 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [1,0,0,1,0,0|2,0,0]=4 24768 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [1,0,0,1,0,0|2,0,0]=4 24769 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [1,0,0,1,0,0|2,0,0]=4 24770 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [1,0,0,1,0,0|2,0,0]=4 24771 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [1,0,0,1,0,0|2,0,0]=4 24772 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [1,0,0,1,0,0|2,0,0]=4 24773 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [1,0,0,1,0,0|2,0,0]=4 24774 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [1,0,0,1,0,0|2,0,0]=4 24775 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [1,0,0,1,0,0|2,0,0]=4 24776 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [1,0,0,1,0,0|2,0,0]=4 24777 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [1,0,0,1,0,0|2,0,0]=4 24778 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [1,0,0,1,0,0|2,0,0]=4 24779 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [1,0,0,1,0,0|2,0,0]=4 24780 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [1,0,0,1,0,0|2,0,0]=4 24781 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [1,0,0,1,0,0|2,0,0]=4 24782 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [1,0,0,1,0,0|2,0,0]=4 24783 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [1,0,0,1,0,0|2,0,0]=4 24784 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [1,0,0,1,0,0|2,0,0]=4 24785 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [1,0,0,1,0,0|2,0,0]=4 24786 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [1,0,0,1,0,0|2,0,0]=4 24787 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [1,0,0,1,0,0|2,0,0]=4 24788 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [1,0,0,1,0,0|2,0,0]=4 24789 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [1,0,0,1,0,0|2,0,0]=4 24790 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [1,0,0,1,0,0|2,0,0]=4 24791 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [1,0,0,1,0,0|2,0,0]=4 24792 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [1,0,0,1,0,0|2,0,0]=4 24793 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [1,0,0,1,0,0|2,0,0]=4 24794 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [1,0,0,1,0,0|2,0,0]=4 24795 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [1,0,0,1,0,0|2,0,0]=4 24796 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [1,0,0,1,0,0|2,0,0]=4 24797 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [1,0,0,1,0,0|2,0,0]=4 24798 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [1,0,0,1,0,0|2,0,0]=4 24799 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [1,0,0,1,0,0|2,0,0]=4 24800 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [1,0,0,1,0,0|2,0,0]=4 24801 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [1,0,0,1,0,0|2,0,0]=4 24802 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [1,0,0,1,0,0|2,0,0]=4 24803 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [1,0,0,1,0,0|2,0,0]=4 24804 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [1,0,0,1,0,0|2,0,0]=4 24805 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [1,0,0,1,0,0|2,0,0]=4 24806 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [1,0,0,1,0,0|2,0,0]=4 24807 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [1,0,0,1,0,0|2,0,0]=4 24808 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [1,0,0,1,0,0|2,0,0]=4 24809 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [1,0,0,1,0,0|2,0,0]=4 24810 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [1,0,0,1,0,0|2,0,0]=4 24811 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [1,0,0,1,0,0|2,0,0]=4 24812 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [1,0,0,1,0,0|2,0,0]=4 24813 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [1,0,0,1,0,0|2,0,0]=4 24814 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [1,0,0,1,0,0|2,0,0]=4 24815 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [1,0,0,1,0,0|2,0,0]=4 24816 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [1,0,0,1,0,0|2,0,0]=4 24817 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [1,0,0,1,0,0|2,0,0]=4 24818 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [1,0,0,1,0,0|2,0,0]=4 24819 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [1,0,0,1,0,0|2,0,0]=4 24820 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [1,0,0,1,0,0|2,0,0]=4 24821 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [1,0,0,1,0,0|2,0,0]=4 24822 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|2,0,0]=4 24823 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [1,0,0,1,0,0|2,0,0]=4 24824 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [1,0,0,1,0,0|2,0,0]=4 24825 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [1,0,0,1,0,0|1,0,0]=3 24826 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [1,0,0,1,0,0|1,0,0]=3 24827 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [1,0,0,1,0,0|1,0,0]=3 24828 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [1,0,0,1,0,0|1,0,0]=3 24829 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|1,0,0]=3 24830 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [1,0,0,1,0,0|2,0,0]=4 24831 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [1,0,0,1,0,0|2,0,0]=4 24832 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [1,0,0,1,0,0|1,0,0]=3 24833 B11R1.47 OCCCCCOC1CSC1 7a_100000072292_100000746330 [1,0,0,1,0,0|2,0,0]=4 24834 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [1,0,0,1,0,0|1,0,0]=3 24835 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [1,0,0,1,0,0|2,0,0]=4 24836 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [1,0,0,1,0,0|1,0,0]=3 24837 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [1,0,0,1,0,0|1,0,0]=3 24838 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [1,0,0,1,0,0|1,0,0]=3 24839 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [1,0,0,1,0,0|1,0,0]=3 24840 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [1,0,0,1,0,0|1,0,0]=3 24841 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [1,0,0,1,0,0|2,0,0]=4 24842 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [1,0,0,1,0,0|2,0,0]=4 24843 B11R1.47 OCCCCNCC1COC1 2230a_100000750430_100010264016 [1,0,0,1,0,0|2,0,0]=4 24844 B11R1.47 OCCCCNCC1COC1 2230a_100015281925_100000210776 [1,0,0,1,0,0|2,0,0]=4 24845 B11R1.47 OCCCCNCC1COC1 34a_100000750430_100010264016 [1,0,0,1,0,0|2,0,0]=4 24846 B11R1.47 OCCCCNCC1COC1 34a_100015281925_100011216708 [1,0,0,1,0,0|2,0,0]=4 24847 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [1,0,0,1,0,0|2,0,0]=4 24848 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [1,0,0,1,0,0|2,0,0]=4 24849 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [1,0,0,1,0,0|1,0,0]=3 24850 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [1,0,0,1,0,0|2,0,0]=4 24851 B11R1.47 OCCCCOCC1CNC1 34a_100016987283_100011216708 [1,0,0,1,0,0|2,0,0]=4 24852 B11R1.47 OCCCCOCC1COC1 34a_100000060846_100011216708 [1,0,0,1,0,0|2,0,0]=4 24853 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [1,0,0,1,0,0|1,0,0]=3 24854 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [1,0,0,1,0,0|1,0,0]=3 24855 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [1,0,0,1,0,0|2,0,0]=4 24856 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [1,0,0,1,0,0|2,0,0]=4 24857 B11R1.47 OCCCCSCC1COC1 62a_100000210776_100010264016 [1,0,0,1,0,0|2,0,0]=4 24858 B11R1.47 OCCCCSCC1COC1 62a_100010264016_100000210776 [1,0,0,1,0,0|2,0,0]=4 24859 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [1,0,0,1,0,0|2,0,0]=4 24860 B11R1.47 OCCOCCNC1CCC1 2230a_100000749019_100011215305 [1,0,0,1,0,0|2,0,0]=4 24861 B11R1.47 OCCOCCNC1CCC1 270004a_100000211614_100000241760 [1,0,0,1,0,0|2,0,0]=4 24862 B11R1.47 OCCOCCNC1CCC1 34a_100000211614_100000749161 [1,0,0,1,0,0|2,0,0]=4 24863 B11R1.47 OCCOCCNC1CCC1 34a_100000749019_100000692535 [1,0,0,1,0,0|2,0,0]=4 24864 B11R1.47 OCCOCCOC1CCC1 34a_100000748187_100000692535 [1,0,0,1,0,0|2,0,0]=4 24865 B11R1.47 OCCOCCSC1CCC1 62a_100011215305_100000749161 [1,0,0,1,0,0|2,0,0]=4 24866 B11R1.47 OCCSCCNC1CCC1 270004a_100011219999_100000241760 [1,0,0,1,0,0|2,0,0]=4 24867 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [1,0,0,1,0,0|2,0,0]=4 24868 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [1,0,0,1,0,0|2,0,0]=4 24869 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [1,0,0,1,0,0|2,0,0]=4 24870 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [1,0,0,1,0,0|2,0,0]=4 24871 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [1,0,0,1,0,0|2,0,0]=4 24872 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [1,0,0,1,0,0|2,0,0]=4 24873 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [1,0,0,1,0,0|2,0,0]=4 24874 B11R1.99 BrCCCCOCCC1CO1 34a_100011216708_100000732470 [1,0,0,1,0,0|2,0,0]=4 24875 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [1,0,0,1,0,0|2,0,0]=4 24876 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [1,0,0,1,0,0|1,0,0]=3 24877 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [1,0,0,1,0,0|1,0,0]=3 24878 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [1,0,0,1,0,0|1,0,0]=3 24879 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [1,0,0,1,0,0|1,0,0]=3 24880 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [1,0,0,1,0,0|1,0,0]=3 24881 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [1,0,0,1,0,0|1,0,0]=3 24882 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [1,0,0,1,0,0|1,0,0]=3 24883 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [1,0,0,1,0,0|1,0,0]=3 24884 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [1,0,0,1,0,0|1,0,0]=3 24885 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [1,0,0,1,0,0|1,0,0]=3 24886 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [1,0,0,1,0,0|1,0,0]=3 24887 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [1,0,0,1,0,0|1,0,0]=3 24888 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [1,0,0,1,0,0|1,0,0]=3 24889 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [1,0,0,1,0,0|1,1,0]=4 24890 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [1,0,0,1,0,0|1,0,0]=3 24891 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [1,0,0,1,0,0|1,0,0]=3 24892 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [1,0,0,1,0,0|1,0,0]=3 24893 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [1,0,0,1,0,0|1,0,0]=3 24894 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [1,0,0,1,0,0|1,0,0]=3 24895 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [1,0,0,1,0,0|1,0,0]=3 24896 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [1,0,0,1,0,0|1,1,0]=4 24897 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [1,0,0,1,0,0|1,1,0]=4 24898 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [1,0,0,1,0,0|1,0,0]=3 24899 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [1,0,0,1,0,0|1,0,0]=3 24900 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [1,0,0,1,0,0|1,0,0]=3 24901 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [1,0,0,1,0,0|1,0,0]=3 24902 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [1,0,0,1,0,0|1,0,0]=3 24903 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [1,0,0,1,0,0|1,0,0]=3 24904 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [1,0,0,1,0,0|1,0,0]=3 24905 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [1,0,0,1,0,0|1,0,0]=3 24906 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [1,0,0,1,0,0|1,0,0]=3 24907 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [1,0,0,1,0,0|1,0,0]=3 24908 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [1,0,0,1,0,0|1,0,0]=3 24909 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [1,0,0,1,0,0|1,0,0]=3 24910 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [1,0,0,1,0,0|1,0,0]=3 24911 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [1,0,0,1,0,0|1,0,0]=3 24912 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [1,0,0,1,0,0|1,0,0]=3 24913 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [1,0,0,1,0,0|1,0,0]=3 24914 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [1,0,0,1,0,0|1,0,0]=3 24915 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [1,0,0,1,0,0|1,0,0]=3 24916 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [1,0,0,1,0,0|1,0,0]=3 24917 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [1,0,0,1,0,0|1,0,0]=3 24918 B11R1.99 CCCCOCCNC1CC1 34a_100000212008_100000743108 [1,0,0,1,0,0|2,0,0]=4 24919 B11R1.99 CCCCOCCNC1CC1 34a_100000738766_100000210210 [1,0,0,1,0,0|2,0,0]=4 24920 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [1,0,0,1,0,0|2,0,0]=4 24921 B11R1.99 CCCCOCCSC1CC1 62a_100000743108_100000211595 [1,0,0,1,0,0|2,0,0]=4 24922 B11R1.99 CCCCOCNCC1CC1 2230a_100000735609_100011995733 [1,0,0,1,0,0|2,0,0]=4 24923 B11R1.99 CCCCOCNCC1CC1 34a_100000735609_100011995733 [1,0,0,1,0,0|2,0,0]=4 24924 B11R1.99 CCCCOCOCC1CC1 34a_100000211283_100011995733 [1,0,0,1,0,0|2,0,0]=4 24925 B11R1.99 CCCCOCOC[C@@H]1CO1 34a_100000757423_100011995733 [1,0,0,1,0,0|2,0,0]=4 24926 B11R1.99 CCCCOCSCC1CC1 62a_100000756562_100011995733 [1,0,0,1,0,0|2,0,0]=4 24927 B11R1.99 CCCCOCSCC1CC1 62a_100011995733_100000742324 [1,0,0,1,0,0|2,0,0]=4 24928 B11R1.99 CCCCOCSCC1CO1 62a_100011995733_102125554688 [1,0,0,1,0,0|2,0,0]=4 24929 B11R1.99 CCCCOCSCC1CO1 62a_102125554688_100011995733 [1,0,0,1,0,0|2,0,0]=4 24930 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100000745022_100011995733 [1,0,0,1,0,0|2,0,0]=4 24931 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100011995733_100000745022 [1,0,0,1,0,0|2,0,0]=4 24932 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [1,0,0,1,0,0|1,0,0]=3 24933 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [1,0,0,1,0,0|1,0,0]=3 24934 B11R1.99 CCCCSCCOC1CC1 34a_200000230436_100000211595 [1,0,0,1,0,0|2,0,0]=4 24935 B11R1.99 CCCOCCCNC1CC1 34a_100011217757_100000211595 [1,0,0,1,0,0|2,0,0]=4 24936 B11R1.99 CCCOCCNCC1CC1 2230a_100000735609_100011215938 [1,0,0,1,0,0|2,0,0]=4 24937 B11R1.99 CCCOCCNCC1CC1 2230a_100161115042_100000742324 [1,0,0,1,0,0|2,0,0]=4 24938 B11R1.99 CCCOCCNCC1CC1 269862a_100161115042_100000741477 [1,0,0,1,0,0|2,0,0]=4 24939 B11R1.99 CCCOCCNCC1CC1 34a_100000735609_100011215938 [1,0,0,1,0,0|2,0,0]=4 24940 B11R1.99 CCCOCCNCC1CC1 34a_100161115042_100000742324 [1,0,0,1,0,0|2,0,0]=4 24941 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [1,0,0,1,0,0|2,0,0]=4 24942 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [1,0,0,1,0,0|2,0,0]=4 24943 B11R1.99 CCCOCCOCC1CC1 34a_100000211283_100011215938 [1,0,0,1,0,0|2,0,0]=4 24944 B11R1.99 CCCOCCOCC1CC1 34a_100000752267_100000742324 [1,0,0,1,0,0|2,0,0]=4 24945 B11R1.99 CCCOCCOCC1CC1 7a_100000752267_100000742324 [1,0,0,1,0,0|2,0,0]=4 24946 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [1,0,0,1,0,0|2,0,0]=4 24947 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [1,0,0,1,0,0|2,0,0]=4 24948 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [1,0,0,1,0,0|2,0,0]=4 24949 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [1,0,0,1,0,0|2,0,0]=4 24950 B11R1.99 CCCOCCSCC1CC1 62a_100000756562_100011215938 [1,0,0,1,0,0|2,0,0]=4 24951 B11R1.99 CCCOCCSCC1CC1 62a_100011215938_100000742324 [1,0,0,1,0,0|2,0,0]=4 24952 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [1,0,0,1,0,0|2,0,0]=4 24953 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [1,0,0,1,0,0|2,0,0]=4 24954 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [1,0,0,1,0,0|2,0,0]=4 24955 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [1,0,0,1,0,0|2,0,0]=4 24956 B11R1.99 CCCSCCNCC1CC1 2230a_100020603323_100000742324 [1,0,0,1,0,0|2,0,0]=4 24957 B11R1.99 CCCSCCNCC1CC1 269862a_100020603323_100000741477 [1,0,0,1,0,0|2,0,0]=4 24958 B11R1.99 CCCSCCNCC1CO1 2230a_100020603323_100011216344 [1,0,0,1,0,0|2,0,0]=4 24959 B11R1.99 CCCSCCOCC1CC1 34a_200000230433_100000742324 [1,0,0,1,0,0|2,0,0]=4 24960 B11R1.99 CCCSCCOCC1CC1 7a_200000230433_100000742324 [1,0,0,1,0,0|2,0,0]=4 24961 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [1,0,0,1,0,0|2,0,0]=4 24962 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [1,0,0,1,0,0|2,0,0]=4 24963 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [1,0,0,1,0,0|2,0,0]=4 24964 B11R1.99 CCOCCCNCC1CC1 2230a_100000210961_100000742324 [1,0,0,1,0,0|2,0,0]=4 24965 B11R1.99 CCOCCCNCC1CC1 2230a_100000735609_100012232248 [1,0,0,1,0,0|2,0,0]=4 24966 B11R1.99 CCOCCCNCC1CC1 269862a_100000210961_100000741477 [1,0,0,1,0,0|2,0,0]=4 24967 B11R1.99 CCOCCCNCC1CC1 34a_100000210961_100000742324 [1,0,0,1,0,0|2,0,0]=4 24968 B11R1.99 CCOCCCNCC1CC1 34a_100000735609_100012232248 [1,0,0,1,0,0|2,0,0]=4 24969 B11R1.99 CCOCCCNCC1CO1 2230a_100000210961_100011216344 [1,0,0,1,0,0|2,0,0]=4 24970 B11R1.99 CCOCCCNCC1CO1 34a_100000210961_102125554688 [1,0,0,1,0,0|2,0,0]=4 24971 B11R1.99 CCOCCCOCC1CC1 34a_100000211283_100012232248 [1,0,0,1,0,0|2,0,0]=4 24972 B11R1.99 CCOCCCOCC1CC1 34a_100000757476_100000742324 [1,0,0,1,0,0|2,0,0]=4 24973 B11R1.99 CCOCCCOCC1CC1 7a_100000757476_100000742324 [1,0,0,1,0,0|2,0,0]=4 24974 B11R1.99 CCOCCCOCC1CO1 34a_100000757476_102125554688 [1,0,0,1,0,0|2,0,0]=4 24975 B11R1.99 CCOCCCOCC1CO1 7a_100000757476_102125554688 [1,0,0,1,0,0|2,0,0]=4 24976 B11R1.99 CCOCCCOC[C@@H]1CO1 34a_100000757423_100012232248 [1,0,0,1,0,0|2,0,0]=4 24977 B11R1.99 CCOCCCOC[C@@H]1CO1 7a_100000757476_100000745022 [1,0,0,1,0,0|2,0,0]=4 24978 B11R1.99 CCOCCCSCC1CC1 62a_100000756562_100012232248 [1,0,0,1,0,0|2,0,0]=4 24979 B11R1.99 CCOCCCSCC1CC1 62a_100012232248_100000742324 [1,0,0,1,0,0|2,0,0]=4 24980 B11R1.99 CCOCCCSCC1CO1 62a_100012232248_102125554688 [1,0,0,1,0,0|2,0,0]=4 24981 B11R1.99 CCOCCCSCC1CO1 62a_102125554688_100012232248 [1,0,0,1,0,0|2,0,0]=4 24982 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100000745022_100012232248 [1,0,0,1,0,0|2,0,0]=4 24983 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100012232248_100000745022 [1,0,0,1,0,0|2,0,0]=4 24984 B11R1.99 CCOCCNCCC1CC1 2230a_102516460346_100000694398 [1,0,0,1,0,0|2,0,0]=4 24985 B11R1.99 CCOCCNCCC1CC1 34a_100000764129_100000210147 [1,0,0,1,0,0|2,0,0]=4 24986 B11R1.99 CCOCCNCCC1CC1 34a_102516460346_100000694398 [1,0,0,1,0,0|2,0,0]=4 24987 B11R1.99 CCOCCNCCC1CO1 2230a_102516460346_100000732470 [1,0,0,1,0,0|2,0,0]=4 24988 B11R1.99 CCOCCNCCC1CO1 34a_102516460346_100000732470 [1,0,0,1,0,0|2,0,0]=4 24989 B11R1.99 CCOCCOCCC1CC1 34a_100000210136_100000694398 [1,0,0,1,0,0|2,0,0]=4 24990 B11R1.99 CCOCCOCCC1CC1 34a_100000754188_100000210147 [1,0,0,1,0,0|2,0,0]=4 24991 B11R1.99 CCOCCOCCC1CC1 7a_100000210136_100000764125 [1,0,0,1,0,0|2,0,0]=4 24992 B11R1.99 CCOCCOCCC1CC1 7a_100000754188_100011215890 [1,0,0,1,0,0|2,0,0]=4 24993 B11R1.99 CCOCCOCCC1CO1 34a_100000210136_100000732470 [1,0,0,1,0,0|2,0,0]=4 24994 B11R1.99 CCOCCOCCC1CO1 7a_100000210136_100000732470 [1,0,0,1,0,0|2,0,0]=4 24995 B11R1.99 CCOCCOCC[C@@H]1CO1 34a_100009820653_100000210147 [1,0,0,1,0,0|2,0,0]=4 24996 B11R1.99 CCOCCSCCC1CC1 62a_100000210147_100000764125 [1,0,0,1,0,0|2,0,0]=4 24997 B11R1.99 CCOCCSCCC1CC1 62a_100000764125_100011215890 [1,0,0,1,0,0|2,0,0]=4 24998 B11R1.99 CCOCCSCCC1CO1 62a_100000210147_100000732470 [1,0,0,1,0,0|2,0,0]=4 24999 B11R1.99 CCOCCSCCC1CO1 62a_100000732470_100011215890 [1,0,0,1,0,0|2,0,0]=4 25000 B11R1.99 CCOCSCCCC1CO1 62a_100000733510_100000739092 [1,0,0,1,0,0|2,0,0]=4 25001 B11R1.99 CCOCSCCCC1CO1 62a_100000739092_100000733510 [1,0,0,1,0,0|2,0,0]=4 25002 B11R1.99 CCSCCCOCC1CC1 34a_100011216438_100000742324 [1,0,0,1,0,0|2,0,0]=4 25003 B11R1.99 CCSCCCOCC1CC1 7a_100011216438_100000742324 [1,0,0,1,0,0|2,0,0]=4 25004 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [1,0,0,1,0,0|2,0,0]=4 25005 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [1,0,0,1,0,0|2,0,0]=4 25006 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [1,0,0,1,0,0|2,0,0]=4 25007 B11R1.99 CCSCCNCCC1CC1 2230a_100000106463_100000694398 [1,0,0,1,0,0|2,0,0]=4 25008 B11R1.99 CCSCCNCCC1CC1 34a_100000764129_100000757381 [1,0,0,1,0,0|2,0,0]=4 25009 B11R1.99 CCSCCNCCC1CO1 2230a_100000106463_100000732470 [1,0,0,1,0,0|2,0,0]=4 25010 B11R1.99 CCSCCOCCC1CC1 34a_100000212035_100000694398 [1,0,0,1,0,0|2,0,0]=4 25011 B11R1.99 CCSCCOCCC1CC1 34a_100000754188_100000757381 [1,0,0,1,0,0|2,0,0]=4 25012 B11R1.99 CCSCCOCCC1CC1 7a_100000212035_100000764125 [1,0,0,1,0,0|2,0,0]=4 25013 B11R1.99 CCSCCOCCC1CC1 7a_100000754188_100000757381 [1,0,0,1,0,0|2,0,0]=4 25014 B11R1.99 CCSCCOCCC1CO1 34a_100000212035_100000732470 [1,0,0,1,0,0|2,0,0]=4 25015 B11R1.99 CCSCCOCCC1CO1 7a_100000212035_100000732470 [1,0,0,1,0,0|2,0,0]=4 25016 B11R1.99 CCSCCOCC[C@@H]1CO1 34a_100009820653_100000757381 [1,0,0,1,0,0|2,0,0]=4 25017 B11R1.99 CCSCCSCCC1CC1 62a_100000757381_100000764125 [1,0,0,1,0,0|2,0,0]=4 25018 B11R1.99 CCSCCSCCC1CC1 62a_100000764125_100000757381 [1,0,0,1,0,0|2,0,0]=4 25019 B11R1.99 CCSCCSCCC1CO1 62a_100000732470_100000757381 [1,0,0,1,0,0|2,0,0]=4 25020 B11R1.99 CCSCCSCCC1CO1 62a_100000757381_100000732470 [1,0,0,1,0,0|2,0,0]=4 25021 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [1,0,0,1,0,0|2,0,0]=4 25022 B11R1.99 CNCCCOCCC1CC1 34a_100000213112_100000694398 [1,0,0,1,0,0|2,0,0]=4 25023 B11R1.99 CNCCCOCCC1CO1 34a_100000213112_100000732470 [1,0,0,1,0,0|2,0,0]=4 25024 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [1,0,0,1,0,0|2,0,0]=4 25025 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [1,0,0,1,0,0|2,0,0]=4 25026 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [1,0,0,1,0,0|2,0,0]=4 25027 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [1,0,0,1,0,0|2,0,0]=4 25028 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [1,0,0,1,0,0|2,0,0]=4 25029 B11R1.99 COCCCCOCC1CO1 34a_100000740925_102125554688 [1,0,0,1,0,0|2,0,0]=4 25030 B11R1.99 COCCCCOCC1CO1 34a_100010889290_200000210301 [1,0,0,1,0,0|2,0,0]=4 25031 B11R1.99 COCCCCOCC1CO1 7a_100010889290_200000210301 [1,0,0,1,0,0|2,0,0]=4 25032 B11R1.99 COCCCCOC[C@@H]1CO1 34a_100000757423_100000755781 [1,0,0,1,0,0|2,0,0]=4 25033 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [1,0,0,1,0,0|2,0,0]=4 25034 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [1,0,0,1,0,0|2,0,0]=4 25035 B11R1.99 COCCCCSCC1CO1 62a_100000730899_102125554688 [1,0,0,1,0,0|2,0,0]=4 25036 B11R1.99 COCCCCSCC1CO1 62a_102125554688_100000730899 [1,0,0,1,0,0|2,0,0]=4 25037 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000730899_100000745022 [1,0,0,1,0,0|2,0,0]=4 25038 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000745022_100000730899 [1,0,0,1,0,0|2,0,0]=4 25039 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [1,0,0,1,0,0|2,0,0]=4 25040 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [1,0,0,1,0,0|2,0,0]=4 25041 B11R1.99 COCCCNCCC1CO1 34a_100150723488_100000732470 [1,0,0,1,0,0|2,0,0]=4 25042 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [1,0,0,1,0,0|2,0,0]=4 25043 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [1,0,0,1,0,0|2,0,0]=4 25044 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [1,0,0,1,0,0|2,0,0]=4 25045 B11R1.99 COCCCOCCC1CO1 34a_100000740835_100000732470 [1,0,0,1,0,0|2,0,0]=4 25046 B11R1.99 COCCCOCC[C@@H]1CO1 34a_100009820653_100000740836 [1,0,0,1,0,0|2,0,0]=4 25047 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [1,0,0,1,0,0|2,0,0]=4 25048 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [1,0,0,1,0,0|2,0,0]=4 25049 B11R1.99 COCCCSCCC1CO1 62a_100000709357_100000732470 [1,0,0,1,0,0|2,0,0]=4 25050 B11R1.99 COCCCSCCC1CO1 62a_100000732470_100000709357 [1,0,0,1,0,0|2,0,0]=4 25051 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [1,0,0,1,0,0|2,0,0]=4 25052 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [1,0,0,1,0,0|2,0,0]=4 25053 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [1,0,0,1,0,0|2,0,0]=4 25054 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [1,0,0,1,0,0|2,0,0]=4 25055 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [1,0,0,1,0,0|2,0,0]=4 25056 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [1,0,0,1,0,0|2,0,0]=4 25057 B11R1.99 CSCCCCOCC1CO1 34a_100011217163_102125554688 [1,0,0,1,0,0|2,0,0]=4 25058 B11R1.99 CSCCCCOCC1CO1 7a_100011217163_102125554688 [1,0,0,1,0,0|2,0,0]=4 25059 B11R1.99 CSCCCCOC[C@@H]1CO1 7a_100011217163_100000745022 [1,0,0,1,0,0|2,0,0]=4 25060 B11R1.99 CSCCCNCCC1CC1 2230a_100000749238_100000694398 [1,0,0,1,0,0|2,0,0]=4 25061 B11R1.99 CSCCCNCCC1CO1 2230a_100000749238_100000732470 [1,0,0,1,0,0|2,0,0]=4 25062 B11R1.99 CSCCCOCCC1CC1 34a_100000690336_100000694398 [1,0,0,1,0,0|2,0,0]=4 25063 B11R1.99 CSCCCOCCC1CC1 7a_100000690336_100000764125 [1,0,0,1,0,0|2,0,0]=4 25064 B11R1.99 CSCCCOCCC1CO1 34a_100000690336_100000732470 [1,0,0,1,0,0|2,0,0]=4 25065 B11R1.99 CSCCCOCCC1CO1 7a_100000690336_100000732470 [1,0,0,1,0,0|2,0,0]=4 25066 B11R1.99 CSCCNCCCC1CO1 2230a_100020590264_100000733510 [1,0,0,1,0,0|2,0,0]=4 25067 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [1,0,0,1,0,0|2,0,0]=4 25068 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [1,0,0,1,0,0|2,0,0]=4 25069 B11R1.99 CSCCSCCCC1CO1 62a_100000212216_100000733510 [1,0,0,1,0,0|2,0,0]=4 25070 B11R1.99 CSCCSCCCC1CO1 62a_100000733510_100000751147 [1,0,0,1,0,0|2,0,0]=4 25071 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [1,0,0,1,0,0|2,0,0]=4 25072 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [1,0,0,1,0,0|2,0,0]=4 25073 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [1,0,0,1,0,0|2,0,0]=4 25074 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 25075 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 25076 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [1,0,0,1,0,0|2,0,0]=4 25077 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [1,0,0,1,0,0|2,0,0]=4 25078 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [1,0,0,1,0,0|2,0,0]=4 25079 B11R1.99 ClCCCCOCCC1CO1 34a_100000210776_100000732470 [1,0,0,1,0,0|2,0,0]=4 25080 B11R1.99 ClCCCCOCCC1CO1 7a_100000210776_100000732470 [1,0,0,1,0,0|2,0,0]=4 25081 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [1,0,0,1,0,0|2,0,0]=4 25082 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [1,0,0,1,0,0|2,0,0]=4 25083 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [1,0,0,1,0,0|2,0,0]=4 25084 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [1,0,0,1,0,0|2,0,0]=4 25085 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [1,0,0,1,0,0|2,0,0]=4 25086 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [1,0,0,1,0,0|2,0,0]=4 25087 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [1,0,0,1,0,0|2,0,0]=4 25088 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [1,0,0,1,0,0|2,0,0]=4 25089 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [1,0,0,1,0,0|2,0,0]=4 25090 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [1,0,0,1,0,0|2,0,0]=4 25091 B11R1.99 FCCCCCSCC1CO1 62a_100000729378_102125554688 [1,0,0,1,0,0|2,0,0]=4 25092 B11R1.99 FCCCCCSCC1CO1 62a_102125554688_100000729378 [1,0,0,1,0,0|2,0,0]=4 25093 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000729378_100000745022 [1,0,0,1,0,0|2,0,0]=4 25094 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000745022_100000729378 [1,0,0,1,0,0|2,0,0]=4 25095 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [1,0,0,1,0,0|2,0,0]=4 25096 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [1,0,0,1,0,0|2,0,0]=4 25097 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [1,0,0,1,0,0|2,0,0]=4 25098 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [1,0,0,1,0,0|2,0,0]=4 25099 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [1,0,0,1,0,0|2,0,0]=4 25100 B11R1.99 FCCCCOCCC1CO1 34a_100011995726_100000732470 [1,0,0,1,0,0|2,0,0]=4 25101 B11R1.99 FCCCCOCCC1CO1 7a_100011995726_100000732470 [1,0,0,1,0,0|2,0,0]=4 25102 B11R1.99 FCCCCOCC[C@@H]1CO1 34a_100009820653_100000729493 [1,0,0,1,0,0|2,0,0]=4 25103 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [1,0,0,1,0,0|2,0,0]=4 25104 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [1,0,0,1,0,0|2,0,0]=4 25105 B11R1.99 FCCCCSCCC1CO1 62a_100000729493_100000732470 [1,0,0,1,0,0|2,0,0]=4 25106 B11R1.99 FCCCCSCCC1CO1 62a_100000732470_100000729493 [1,0,0,1,0,0|2,0,0]=4 25107 B11R1.99 FCCCNCCCC1CO1 2230a_100015189416_100000733510 [1,0,0,1,0,0|2,0,0]=4 25108 B11R1.99 FCCCNCCCC1CO1 34a_100015189416_100000733510 [1,0,0,1,0,0|2,0,0]=4 25109 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [1,0,0,1,0,0|2,0,0]=4 25110 B11R1.99 FCCCSCCCC1CO1 62a_100000733510_100011934791 [1,0,0,1,0,0|2,0,0]=4 25111 B11R1.99 FCCCSCCCC1CO1 62a_100011934791_100000733510 [1,0,0,1,0,0|2,0,0]=4 25112 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [1,0,0,1,0,0|2,0,0]=4 25113 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [1,0,0,1,0,0|2,0,0]=4 25114 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [1,0,0,1,0,0|2,0,0]=4 25115 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [1,0,0,1,0,0|2,0,0]=4 25116 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [1,0,0,1,0,0|2,0,0]=4 25117 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [1,0,0,1,0,0|2,0,0]=4 25118 B11R1.99 ICCCCOCCC1CO1 34a_200012148704_100000732470 [1,0,0,1,0,0|2,0,0]=4 25119 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [1,0,0,1,0,0|2,0,0]=4 25120 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [1,0,0,1,0,0|2,0,0]=4 25121 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [1,0,0,1,0,0|2,0,0]=4 25122 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [1,0,0,1,0,0|2,0,0]=4 25123 B11R1.99 NCCCCOCCC1CO1 34a_100000750430_100000732470 [1,0,0,1,0,0|2,0,0]=4 25124 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [1,0,0,1,0,0|2,0,0]=4 25125 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [1,0,0,1,0,0|1,0,0]=3 25126 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [1,0,0,1,0,0|1,0,0]=3 25127 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [1,0,0,1,0,0|1,0,0]=3 25128 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [1,0,0,1,0,0|1,0,0]=3 25129 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [1,0,0,1,0,0|1,0,0]=3 25130 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [1,0,0,1,0,0|1,0,0]=3 25131 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [1,0,0,1,0,0|1,0,0]=3 25132 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [1,0,0,1,0,0|1,0,0]=3 25133 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [1,0,0,1,0,0|2,0,0]=4 25134 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [1,0,0,1,0,0|2,0,0]=4 25135 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [1,0,0,1,0,0|1,0,0]=3 25136 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [1,0,0,1,0,0|2,0,0]=4 25137 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [1,0,0,1,0,0|1,0,0]=3 25138 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [1,0,0,1,0,0|1,0,0]=3 25139 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 25140 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [1,0,0,1,0,0|2,0,0]=4 25141 B11R1.99 OCCCCCSCC1CS1 62a_100000031435_100000746330 [1,0,0,1,0,0|2,0,0]=4 25142 B11R1.99 OCCCCCSCC1CS1 62a_100000746330_100000031435 [1,0,0,1,0,0|2,0,0]=4 25143 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [1,0,0,1,0,0|2,0,0]=4 25144 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [1,0,0,1,0,0|2,0,0]=4 25145 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [1,0,0,1,0,0|1,0,0]=3 25146 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [1,0,0,1,0,0|1,0,0]=3 25147 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [1,0,0,1,0,0|1,0,0]=3 25148 B11R1.99 OCCCCNCCC1CO1 2230a_100000750430_100000732470 [1,0,0,1,0,0|2,0,0]=4 25149 B11R1.99 OCCCCNCCC1CO1 34a_100000750430_100000732470 [1,0,0,1,0,0|2,0,0]=4 25150 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [1,0,0,1,0,0|1,0,0]=3 25151 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [1,0,0,1,0,0|1,0,0]=3 25152 B11R1.99 OCCCCOCC[C@@H]1CO1 34a_100009820653_100011216708 [1,0,0,1,0,0|2,0,0]=4 25153 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [1,0,0,1,0,0|1,0,0]=3 25154 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [1,0,0,1,0,0|1,0,0]=3 25155 B11R1.99 OCCCCSCCC1CO1 62a_100000210776_100000732470 [1,0,0,1,0,0|2,0,0]=4 25156 B11R1.99 OCCCCSCCC1CO1 62a_100000732470_100000210776 [1,0,0,1,0,0|2,0,0]=4 25157 B11R1.99 OCCCOCCNC1CC1 34a_100000738766_100000230001 [1,0,0,1,0,0|2,0,0]=4 25158 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [1,0,0,1,0,0|2,0,0]=4 25159 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [1,0,0,1,0,0|2,0,0]=4 25160 B11R1.99 OCCOCCNCC1CC1 2230a_100000211614_100000742324 [1,0,0,1,0,0|2,0,0]=4 25161 B11R1.99 OCCOCCNCC1CC1 2230a_100000735609_100011215305 [1,0,0,1,0,0|2,0,0]=4 25162 B11R1.99 OCCOCCNCC1CC1 269862a_100000211614_100000741477 [1,0,0,1,0,0|2,0,0]=4 25163 B11R1.99 OCCOCCNCC1CC1 34a_100000211614_100000742324 [1,0,0,1,0,0|2,0,0]=4 25164 B11R1.99 OCCOCCNCC1CC1 34a_100000735609_100000692535 [1,0,0,1,0,0|2,0,0]=4 25165 B11R1.99 OCCOCCOCC1CC1 34a_100000211283_100000692535 [1,0,0,1,0,0|2,0,0]=4 25166 B11R1.99 OCCOCCSCC1CC1 62a_100000756562_100011215305 [1,0,0,1,0,0|2,0,0]=4 25167 B11R1.99 OCCOCCSCC1CC1 62a_100011215305_100000742324 [1,0,0,1,0,0|2,0,0]=4 25168 B11R1.99 OCCSCCNCC1CC1 2230a_100011219999_100000742324 [1,0,0,1,0,0|2,0,0]=4 25169 B11R1.99 OCCSCCNCC1CC1 269862a_100011219999_100000741477 [1,0,0,1,0,0|2,0,0]=4 25170 B11R1.99 [13CH3]OCCCCOCC1CO1 34a_100010889290_200025704644 [1,0,0,1,0,0|2,0,0]=4 25171 B11R1.99 [13CH3]OCCCCOCC1CO1 7a_100010889290_200025704644 [1,0,0,1,0,0|2,0,0]=4 25172 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [1,0,0,1,0,0|1,0,0]=3 25173 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [1,0,0,1,0,0|1,0,0]=3 25174 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [1,0,0,1,0,0|2,0,0]=4 25175 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [1,0,0,1,0,0|2,0,0]=4 25176 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [1,0,0,1,0,0|2,0,0]=4 25177 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [1,0,0,1,0,0|2,0,0]=4 25178 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 25179 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 25180 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 25181 B11R1.109 COC[C@@H]1CCCN1CCO 2230a_100020646714_100000211926 [1,0,0,1,0,0|2,0,0]=4 25182 B11R1.109 COC[C@@H]1CCCN1CCO 269982a_100020646714_100000211926 [1,0,0,1,0,0|2,0,0]=4 25183 B11R1.109 COC[C@@H]1CCCN1CCO 34a_100020646714_100000211926 [1,0,0,1,0,0|2,0,0]=4 25184 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [1,0,0,1,0,0|1,0,0]=3 25185 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [1,0,0,1,0,0|1,0,0]=3 25186 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [1,0,0,1,0,0|1,0,0]=3 25187 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [1,0,0,1,0,0|1,0,0]=3 25188 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [1,0,0,1,0,0|1,0,0]=3 25189 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [1,0,0,1,0,0|1,0,0]=3 25190 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [1,0,0,1,0,0|1,0,0]=3 25191 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [1,0,0,1,0,0|1,0,0]=3 25192 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|1,0,0]=3 25193 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|1,0,0]=3 25194 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [1,0,0,1,0,0|2,0,0]=4 25195 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [1,0,0,1,0,0|2,0,0]=4 25196 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [1,0,0,1,0,0|2,0,0]=4 25197 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [1,0,0,1,0,0|2,0,0]=4 25198 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [1,0,0,1,0,0|2,0,0]=4 25199 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [1,0,0,1,0,0|2,0,0]=4 25200 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [1,0,0,1,0,0|2,0,0]=4 25201 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [1,0,0,1,0,0|2,0,0]=4 25202 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [1,0,0,1,0,0|2,0,0]=4 25203 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [1,0,0,1,0,0|2,0,0]=4 25204 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [1,0,0,1,0,0|2,0,0]=4 25205 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [1,0,0,1,0,0|1,0,0]=3 25206 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [1,0,0,1,0,0|1,0,0]=3 25207 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [1,0,0,1,0,0|1,0,0]=3 25208 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|1,0,0]=3 25209 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|1,0,0]=3 25210 B11R1.180 CC1CCCC1NCCCF 269862a_100015189416_100000752053 [1,0,0,1,0,0|2,0,0]=4 25211 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [1,0,0,1,0,0|1,0,0]=3 25212 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [1,0,0,1,0,0|2,0,0]=4 25213 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [1,0,0,1,0,0|2,0,0]=4 25214 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [1,0,0,1,0,0|1,0,0]=3 25215 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [1,0,0,1,0,0|1,0,0]=3 25216 B11R1.180 CC1OCCC1NCCCO 270004a_100000182051_100000691750 [1,0,0,1,0,0|2,0,0]=4 25217 B11R1.180 CC1SCCN1CCCCO 2230a_200011216479_100000210776 [1,0,0,1,0,0|2,0,0]=4 25218 B11R1.180 CC1SCCN1CCCCO 269982a_200011216479_100000210776 [1,0,0,1,0,0|2,0,0]=4 25219 B11R1.180 CC1SCCN1CCCCO 34a_200011216479_100011216708 [1,0,0,1,0,0|2,0,0]=4 25220 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [1,0,0,1,0,0|1,0,0]=3 25221 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [1,0,0,1,0,0|1,0,0]=3 25222 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [1,0,0,1,0,0|1,0,0]=3 25223 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [1,0,0,1,0,0|1,0,0]=3 25224 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [1,0,0,1,0,0|1,0,0]=3 25225 B11R1.180 CCCCCN1CCSC1C 2230a_200011216479_100000210326 [1,0,0,1,0,0|2,0,0]=4 25226 B11R1.180 CCCCCN1CCSC1C 269982a_200011216479_100000210215 [1,0,0,1,0,0|2,0,0]=4 25227 B11R1.180 CCCCCN1CCSC1C 34a_200011216479_100000718602 [1,0,0,1,0,0|2,0,0]=4 25228 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [1,0,0,1,0,0|1,0,0]=3 25229 B11R1.180 CCCCNC1CCOC1C 270004a_100000102301_100000691750 [1,0,0,1,0,0|2,0,0]=4 25230 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [1,0,0,1,0,0|2,0,0]=4 25231 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [1,0,0,1,0,0|2,0,0]=4 25232 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [1,0,0,1,0,0|1,0,0]=3 25233 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [1,0,0,1,0,0|1,0,0]=3 25234 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [1,0,0,1,0,0|2,0,0]=4 25235 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [1,0,0,1,0,0|2,0,0]=4 25236 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [1,0,0,1,0,0|2,0,0]=4 25237 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [1,0,0,1,0,0|2,0,0]=4 25238 B11R1.180 CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210210 [1,0,0,1,0,0|2,0,0]=4 25239 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [1,0,0,1,0,0|2,0,0]=4 25240 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [1,0,0,1,0,0|2,0,0]=4 25241 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [1,0,0,1,0,0|1,0,0]=3 25242 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [1,0,0,1,0,0|1,0,0]=3 25243 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [1,0,0,1,0,0|2,0,0]=4 25244 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [1,0,0,1,0,0|2,0,0]=4 25245 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [1,0,0,1,0,0|2,0,0]=4 25246 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [1,0,0,1,0,0|2,0,0]=4 25247 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [1,0,0,1,0,0|2,0,0]=4 25248 B11R1.180 CCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215890 [1,0,0,1,0,0|2,0,0]=4 25249 B11R1.180 CCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215890 [1,0,0,1,0,0|2,0,0]=4 25250 B11R1.180 CCOCCN1CCC[C@H]1C 2230a_100015189458_100011215890 [1,0,0,1,0,0|2,0,0]=4 25251 B11R1.180 CCOCCN1CCC[C@H]1C 269982a_100015189458_100011215890 [1,0,0,1,0,0|2,0,0]=4 25252 B11R1.180 CCOCCN1CCC[C@H]1C 34a_100015189458_100000210147 [1,0,0,1,0,0|2,0,0]=4 25253 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_100000739092_200016002552 [1,0,0,1,0,0|2,0,0]=4 25254 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000739092 [1,0,0,1,0,0|2,0,0]=4 25255 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [1,0,0,1,0,0|2,0,0]=4 25256 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [1,0,0,1,0,0|2,0,0]=4 25257 B11R1.180 CCSCCN1CCC[C@@H]1C 2230a_100020605311_100000757381 [1,0,0,1,0,0|2,0,0]=4 25258 B11R1.180 CCSCCN1CCC[C@@H]1C 269982a_100020605311_100000757381 [1,0,0,1,0,0|2,0,0]=4 25259 B11R1.180 CCSCCN1CCC[C@H]1C 2230a_100015189458_100000757381 [1,0,0,1,0,0|2,0,0]=4 25260 B11R1.180 CCSCCN1CCC[C@H]1C 269982a_100015189458_100000757381 [1,0,0,1,0,0|2,0,0]=4 25261 B11R1.180 CCSCCN1CCC[C@H]1C 34a_100015189458_100000757381 [1,0,0,1,0,0|2,0,0]=4 25262 B11R1.180 CN1CCCC1COCCO 34a_100000743107_100000211926 [1,0,0,1,0,0|2,0,0]=4 25263 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [1,0,0,1,0,0|2,0,0]=4 25264 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [1,0,0,1,0,0|2,0,0]=4 25265 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [1,0,0,1,0,0|2,0,0]=4 25266 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [1,0,0,1,0,0|2,0,0]=4 25267 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [1,0,0,1,0,0|2,0,0]=4 25268 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [1,0,0,1,0,0|2,0,0]=4 25269 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [1,0,0,1,0,0|2,0,0]=4 25270 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [1,0,0,1,0,0|2,0,0]=4 25271 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_100000233755_200016002552 [1,0,0,1,0,0|2,0,0]=4 25272 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000233755 [1,0,0,1,0,0|2,0,0]=4 25273 B11R1.180 CSCCNC1CCCC1C 269862a_100020590264_100000752053 [1,0,0,1,0,0|2,0,0]=4 25274 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [1,0,0,1,0,0|2,0,0]=4 25275 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [1,0,0,1,0,0|2,0,0]=4 25276 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_100000212216_200016002552 [1,0,0,1,0,0|2,0,0]=4 25277 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000751147 [1,0,0,1,0,0|2,0,0]=4 25278 B11R1.180 C[C@@H]1CCCN1CCCCF 2230a_100015189458_100000729493 [1,0,0,1,0,0|2,0,0]=4 25279 B11R1.180 C[C@@H]1CCCN1CCCCF 269982a_100015189458_100000729493 [1,0,0,1,0,0|2,0,0]=4 25280 B11R1.180 C[C@@H]1CCCN1CCCCF 34a_100015189458_100000729493 [1,0,0,1,0,0|2,0,0]=4 25281 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [1,0,0,1,0,0|1,0,0]=3 25282 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [1,0,0,1,0,0|1,0,0]=3 25283 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [1,0,0,1,0,0|1,0,0]=3 25284 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCO 34a_200015306588_100000230001 [1,0,0,1,0,0|2,0,0]=4 25285 B11R1.180 C[C@H]1CCCN1CCCCF 2230a_100020605311_100000729493 [1,0,0,1,0,0|2,0,0]=4 25286 B11R1.180 C[C@H]1CCCN1CCCCF 269982a_100020605311_100000729493 [1,0,0,1,0,0|2,0,0]=4 25287 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [1,0,0,1,0,0|1,0,0]=3 25288 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [1,0,0,1,0,0|1,0,0]=3 25289 B11R1.180 N[C@H]1CCC[C@@H]1OCCCO 34a_100000748460_100000230001 [1,0,0,1,0,0|2,0,0]=4 25290 B11R1.180 OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000230001 [1,0,0,1,0,0|2,0,0]=4 25291 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [1,0,0,1,0,0|2,0,0]=4 25292 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [1,0,0,1,0,0|2,0,0]=4 25293 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_100011934791_200016002552 [1,0,0,1,0,0|2,0,0]=4 25294 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_200016002552_100011934791 [1,0,0,1,0,0|2,0,0]=4 25295 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [1,0,0,1,0,0|2,0,0]=4 25296 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [1,0,0,1,0,0|2,0,0]=4 25297 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [1,0,0,1,0,0|1,0,0]=3 25298 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [1,0,0,1,0,0|1,0,0]=3 25299 B11R1.190 CC1CCN1CCOCCO 269982a_100000755817_100011215305 [1,0,0,1,0,0|2,0,0]=4 25300 B11R1.190 CC1CCN1CCOCCO 34a_100000755817_100000692535 [1,0,0,1,0,0|2,0,0]=4 25301 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [1,0,0,1,0,0|1,0,0]=3 25302 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [1,0,0,1,0,0|1,0,0]=3 25303 B11R1.190 CCCCOCN1CCC1C 269982a_100000755817_100011995733 [1,0,0,1,0,0|2,0,0]=4 25304 B11R1.190 CCCCOCN1CCC1C 34a_100000755817_100011995733 [1,0,0,1,0,0|2,0,0]=4 25305 B11R1.190 CCCOCCN1CCC1C 269982a_100000755817_100011215938 [1,0,0,1,0,0|2,0,0]=4 25306 B11R1.190 CCCOCCN1CCC1C 34a_100000755817_100011215938 [1,0,0,1,0,0|2,0,0]=4 25307 B11R1.190 CCOCCCN1CCC1C 269982a_100000755817_100012232248 [1,0,0,1,0,0|2,0,0]=4 25308 B11R1.190 CCOCCCN1CCC1C 34a_100000755817_100012232248 [1,0,0,1,0,0|2,0,0]=4 25309 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [1,0,0,1,0,0|2,0,0]=4 25310 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [1,0,0,1,0,0|2,0,0]=4 25311 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [1,0,0,1,0,0|2,0,0]=4 25312 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [1,0,0,1,0,0|1,0,0]=3 25313 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [1,0,0,1,0,0|1,0,0]=3 25314 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [1,0,0,1,0,0|1,0,0]=3 25315 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [1,0,0,1,0,0|2,0,0]=4 25316 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [1,0,0,1,0,0|2,0,0]=4 25317 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [1,0,0,1,0,0|2,0,0]=4 25318 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [1,0,0,1,0,0|1,0,0]=3 25319 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [1,0,0,1,0,0|1,0,0]=3 25320 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [1,0,0,1,0,0|1,0,0]=3 25321 B11R1.203 CCCNC1CCCNCC1 270004a_100020643023_100015187895 [1,0,0,1,0,0|2,0,0]=4 25322 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [1,0,0,1,0,0|1,0,0]=3 25323 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [1,0,0,1,0,0|1,0,0]=3 25324 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [1,0,0,1,0,0|1,0,0]=3 25325 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [1,0,0,1,0,0|1,0,0]=3 25326 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [1,0,0,1,0,0|1,0,0]=3 25327 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|1,0,0]=3 25328 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|1,0,0]=3 25329 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|1,0,0]=3 25330 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|1,0,0]=3 25331 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|1,0,0]=3 25332 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|1,0,0]=3 25333 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|1,0,0]=3 25334 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [1,0,0,1,0,0|2,0,0]=4 25335 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|1,0,0]=3 25336 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|1,0,0]=3 25337 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|1,0,0]=3 25338 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|1,0,0]=3 25339 B11R1.203 CNCCN1CCCCCC1 7a_106832991635_100000722644 [1,0,0,1,0,0|2,0,0]=4 25340 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [1,0,0,1,0,0|2,0,0]=4 25341 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [1,0,0,1,0,0|2,0,0]=4 25342 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [1,0,0,1,0,0|2,0,0]=4 25343 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [1,0,0,1,0,0|2,0,0]=4 25344 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [1,0,0,1,0,0|2,0,0]=4 25345 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [1,0,0,1,0,0|2,0,0]=4 25346 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [1,0,0,1,0,0|2,0,0]=4 25347 B11R1.203 CSCCN1CCCCCC1 2230a_100000185865_100000751147 [1,0,0,1,0,0|2,0,0]=4 25348 B11R1.203 CSCCN1CCCCCC1 269982a_100000185865_100000212216 [1,0,0,1,0,0|2,0,0]=4 25349 B11R1.203 CSCCN1CCCCCC1 34a_100000185865_100000212216 [1,0,0,1,0,0|2,0,0]=4 25350 B11R1.203 CSCCN1CCCCCC1 62a_100000722644_200000210301 [1,0,0,1,0,0|2,0,0]=4 25351 B11R1.203 CSCCN1CCCCCC1 62a_200000210301_100000722644 [1,0,0,1,0,0|2,0,0]=4 25352 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [1,0,0,1,0,0|2,0,0]=4 25353 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [1,0,0,1,0,0|2,0,0]=4 25354 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [1,0,0,1,0,0|2,0,0]=4 25355 B11R1.203 CSCSC1CCCCCC1 62a_100011217769_100011218213 [1,0,0,1,0,0|2,0,0]=4 25356 B11R1.203 CSCSC1CCCCCC1 62a_100011218213_100011217769 [1,0,0,1,0,0|2,0,0]=4 25357 B11R1.203 FCCCN1CCCCCC1 2230a_100000185865_100011934791 [1,0,0,1,0,0|2,0,0]=4 25358 B11R1.203 FCCCN1CCCCCC1 269982a_100000185865_100011934791 [1,0,0,1,0,0|2,0,0]=4 25359 B11R1.203 FCCCN1CCCCCC1 34a_100000185865_100011934791 [1,0,0,1,0,0|2,0,0]=4 25360 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [1,0,0,1,0,0|2,0,0]=4 25361 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [1,0,0,1,0,0|2,0,0]=4 25362 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [1,0,0,1,0,0|2,0,0]=4 25363 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [1,0,0,1,0,0|2,0,0]=4 25364 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [1,0,0,1,0,0|2,0,0]=4 25365 B11R1.203 FCCSC1CCCCCC1 62a_100011217306_100011217769 [1,0,0,1,0,0|2,0,0]=4 25366 B11R1.203 FCCSC1CCCCCC1 62a_100011217769_100011217306 [1,0,0,1,0,0|2,0,0]=4 25367 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [1,0,0,1,0,0|2,0,0]=4 25368 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [1,0,0,1,0,0|2,0,0]=4 25369 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [1,0,0,1,0,0|2,0,0]=4 25370 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [1,0,0,1,0,0|2,0,0]=4 25371 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [1,0,0,1,0,0|2,0,0]=4 25372 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [1,0,0,1,0,0|2,0,0]=4 25373 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [1,0,0,1,0,0|1,0,0]=3 25374 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [1,0,0,1,0,0|1,0,0]=3 25375 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [1,0,0,1,0,0|1,0,0]=3 25376 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [1,0,0,1,0,0|2,0,0]=4 25377 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [1,0,0,1,0,0|2,0,0]=4 25378 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [1,0,0,1,0,0|2,0,0]=4 25379 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [1,0,0,1,0,0|1,0,0]=3 25380 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [1,0,0,1,0,0|1,0,0]=3 25381 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [1,0,0,1,0,0|1,0,0]=3 25382 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [1,0,0,1,0,0|1,0,0]=3 25383 B11R1.203 OCCNC1CCCNCC1 270004a_100000210304_100015187895 [1,0,0,1,0,0|2,0,0]=4 25384 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,1,0,0|1,0,0]=3 25385 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,1,0,0|1,0,0]=3 25386 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [1,0,0,1,0,0|1,0,0]=3 25387 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [1,0,0,1,0,0|1,0,0]=3 25388 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|1,0,0]=3 25389 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|1,0,0]=3 25390 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [1,0,0,1,0,0|2,0,0]=4 25391 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_100000722644_200025704644 [1,0,0,1,0,0|2,0,0]=4 25392 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_200025704644_100000722644 [1,0,0,1,0,0|2,0,0]=4 25393 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [1,0,0,1,0,0|2,0,0]=4 25394 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [1,0,0,1,0,0|2,0,0]=4 25395 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [1,0,0,1,0,0|2,0,0]=4 25396 B11R1.232 COCC1CCN1CCCO 2230a_100015195929_100000230001 [1,0,0,1,0,0|2,0,0]=4 25397 B11R1.232 COCC1CCN1CCCO 269982a_100015195929_100011215043 [1,0,0,1,0,0|2,0,0]=4 25398 B11R1.232 COCC1CCN1CCCO 34a_100015195929_100000230001 [1,0,0,1,0,0|2,0,0]=4 25399 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|1,0,0]=3 25400 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|1,0,0]=3 25401 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|1,0,0]=3 25402 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|1,0,0]=3 25403 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [1,0,0,1,0,0|2,0,0]=4 25404 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [1,0,0,1,0,0|2,0,0]=4 25405 B13R1.6 CC1=CC(CCC1)OCCCCO 34a_100011218613_100011216708 [0,1,0,1,0,0|1,0,1]=4 25406 B13R1.6 CC1CC(CCO1)NCCCCO 270004a_100000750430_100000755752 [0,1,0,1,0,0|2,0,0]=4 25407 B13R1.6 CC1CC(CCO1)OCCCCO 34a_100011986385_100011216708 [0,1,0,1,0,0|2,0,0]=4 25408 B13R1.6 CC1CC(CCO1)OCCCCO 7a_100011986385_100000210776 [0,1,0,1,0,0|2,0,0]=4 25409 B13R1.6 CC1CCCC(C1)NCCCCF 2230a_100011194320_100000729493 [0,1,0,1,0,0|2,0,0]=4 25410 B13R1.6 CC1CCCC(C1)NCCCCF 34a_100011194320_100000729493 [0,1,0,1,0,0|2,0,0]=4 25411 B13R1.6 CC1CCCC(C1)NCCCCO 2230a_100011194320_100000210776 [0,1,0,1,0,0|1,0,0]=3 25412 B13R1.6 CC1CCCC(C1)NCCCCO 270004a_100000750430_100000183594 [0,1,0,1,0,0|1,0,0]=3 25413 B13R1.6 CC1CCCC(C1)NCCCCO 34a_100011194320_100011216708 [0,1,0,1,0,0|1,0,0]=3 25414 B13R1.6 CC1CCCC(C1)OCCCCF 34a_100000211399_100000729493 [0,1,0,1,0,0|2,0,0]=4 25415 B13R1.6 CC1CCCC(C1)OCCCCO 34a_100000211399_100011216708 [0,1,0,1,0,0|1,0,0]=3 25416 B13R1.6 CC1CCCN(C1)CCNCCO 2230a_100000739826_100000211926 [0,1,0,1,0,0|2,0,0]=4 25417 B13R1.6 CC1CCCN(C1)CCNCCO 2230a_100016997473_100000766211 [0,1,0,1,0,0|2,0,0]=4 25418 B13R1.6 CC1CCCN(C1)CCNCCO 34a_100016990907_100000766211 [0,1,0,1,0,0|2,0,0]=4 25419 B13R1.6 CC1CCCN(C1)CCSCCO 62a_100000211926_100000766211 [0,1,0,1,0,0|2,0,0]=4 25420 B13R1.6 CC1CN(CCO1)CCCCCO 2230a_100000729577_100000746330 [0,1,0,1,0,0|2,0,0]=4 25421 B13R1.6 CC1CN(CCO1)CCCCCO 269982a_100000729577_100000746330 [0,1,0,1,0,0|2,0,0]=4 25422 B13R1.6 CC1CN(CCO1)CCCCCO 34a_100000729577_100000746330 [0,1,0,1,0,0|2,0,0]=4 25423 B13R1.6 CC1CNCC(C1)COCCCO 34a_200012821172_100000230001 [0,1,0,1,0,0|2,0,0]=4 25424 B13R1.6 CCCCCCN1CCCC(C1)F 2230a_100000697950_100000210314 [0,1,0,1,0,0|2,0,0]=4 25425 B13R1.6 CCCCCCN1CCCC(C1)F 269982a_100000697950_100000210757 [0,1,0,1,0,0|2,0,0]=4 25426 B13R1.6 CCCCCCN1CCCC(C1)F 34a_100000697950_100000210314 [0,1,0,1,0,0|2,0,0]=4 25427 B13R1.6 CCCCCCN1CCCC(C1)O 2230a_100000211013_100000210314 [0,1,0,1,0,0|1,0,0]=3 25428 B13R1.6 CCCCCCN1CCCC(C1)O 269982a_100000211013_100000210757 [0,1,0,1,0,0|1,0,0]=3 25429 B13R1.6 CCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210314 [0,1,0,1,0,0|2,0,0]=4 25430 B13R1.6 CCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210757 [0,1,0,1,0,0|2,0,0]=4 25431 B13R1.6 CCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210314 [0,1,0,1,0,0|2,0,0]=4 25432 B13R1.6 CCCCCCN1CCOC(C1)O 2230a_100000688207_100000210314 [0,1,0,1,0,0|2,0,0]=4 25433 B13R1.6 CCCCCCN1CCOC(C1)O 269982a_100000688207_100000210757 [0,1,0,1,0,0|2,0,0]=4 25434 B13R1.6 CCCCCNC1CCCC(C1)C 2230a_100011194320_100000210326 [0,1,0,1,0,0|2,0,0]=4 25435 B13R1.6 CCCCCNC1CCCC(C1)C 270004a_100000209983_100000183594 [0,1,0,1,0,0|2,0,0]=4 25436 B13R1.6 CCCCCNC1CCCC(C1)C 34a_100011194320_100000718602 [0,1,0,1,0,0|2,0,0]=4 25437 B13R1.6 CCCCCNC1CCCC(C1)O 2230a_100015190357_100000210326 [0,1,0,1,0,0|1,0,0]=3 25438 B13R1.6 CCCCCNC1CCCC(C1)O 270004a_100000209983_100012613340 [0,1,0,1,0,0|1,0,0]=3 25439 B13R1.6 CCCCCOC1CCCC(C1)C 34a_100000211399_100000718602 [0,1,0,1,0,0|2,0,0]=4 25440 B13R1.6 CCCCNCC1CCCC(C1)O 2230a_100011254705_100000210211 [0,1,0,1,0,0|1,0,0]=3 25441 B13R1.6 CCCCOCN1CCCC(C1)O 2230a_100000211013_100011995733 [0,1,0,1,0,0|2,0,0]=4 25442 B13R1.6 CCCCOCN1CCCC(C1)O 269982a_100000211013_100011995733 [0,1,0,1,0,0|2,0,0]=4 25443 B13R1.6 CCCOCCN1CCCC(C1)O 2230a_100000211013_100011215938 [0,1,0,1,0,0|2,0,0]=4 25444 B13R1.6 CCCOCCN1CCCC(C1)O 269982a_100000211013_100011215938 [0,1,0,1,0,0|2,0,0]=4 25445 B13R1.6 CCOCCCN1CCCC(C1)O 2230a_100000211013_100012232248 [0,1,0,1,0,0|2,0,0]=4 25446 B13R1.6 CCOCCCN1CCCC(C1)O 269982a_100000211013_100012232248 [0,1,0,1,0,0|2,0,0]=4 25447 B13R1.6 CCOCCNC1CCCC(C1)O 2230a_100015190357_100011215890 [0,1,0,1,0,0|2,0,0]=4 25448 B13R1.6 CCOCCNC1CCCC(C1)O 270004a_102516460346_100012613340 [0,1,0,1,0,0|2,0,0]=4 25449 B13R1.6 CCSCCNC1CCCC(C1)O 2230a_100015190357_100000757381 [0,1,0,1,0,0|2,0,0]=4 25450 B13R1.6 CCSCCNC1CCCC(C1)O 270004a_100000106463_100012613340 [0,1,0,1,0,0|2,0,0]=4 25451 B13R1.6 CN1CCCC(C1)CSCCCO 62a_100000752043_100011215043 [0,1,0,1,0,0|2,0,0]=4 25452 B13R1.6 CN1CCCC(C1)CSCCCO 62a_100011215043_100000752043 [0,1,0,1,0,0|2,0,0]=4 25453 B13R1.6 COCCCCN1CCCC(C1)O 2230a_100000211013_100000730899 [0,1,0,1,0,0|2,0,0]=4 25454 B13R1.6 COCCCCN1CCCC(C1)O 269982a_100000211013_100000730899 [0,1,0,1,0,0|2,0,0]=4 25455 B13R1.6 COCCCNC1CCCC(C1)O 2230a_100015190357_100000740836 [0,1,0,1,0,0|2,0,0]=4 25456 B13R1.6 COCCCNC1CCCC(C1)O 270004a_100150723488_100012613340 [0,1,0,1,0,0|2,0,0]=4 25457 B13R1.6 COCCNCC1CCCC(C1)O 2230a_100011254705_100011201679 [0,1,0,1,0,0|2,0,0]=4 25458 B13R1.6 CSCCCNC1CCCC(C1)O 270004a_100000749238_100012613340 [0,1,0,1,0,0|2,0,0]=4 25459 B13R1.6 CSCCNCC1CCCC(C1)O 2230a_100011254705_100000751147 [0,1,0,1,0,0|2,0,0]=4 25460 B13R1.6 C[C@@H]1CC(CCN1)NCCCCO 270004a_100000750430_100016994030 [0,1,0,1,0,0|2,0,0]=4 25461 B13R1.6 C[C@H]1CCCN(C1)CCCCCF 2230a_100000717927_100000729378 [0,1,0,1,0,0|2,0,0]=4 25462 B13R1.6 C[C@H]1CCCN(C1)CCCCCF 269982a_100000717927_100000729378 [0,1,0,1,0,0|2,0,0]=4 25463 B13R1.6 C[C@H]1CCCN(C1)CCCCCF 34a_100000717927_100000729378 [0,1,0,1,0,0|2,0,0]=4 25464 B13R1.6 C[C@H]1CCCN(C1)CCCCCO 2230a_100000717927_100000746330 [0,1,0,1,0,0|1,0,0]=3 25465 B13R1.6 C[C@H]1CCCN(C1)CCCCCO 269982a_100000717927_100000746330 [0,1,0,1,0,0|1,0,0]=3 25466 B13R1.6 C[C@H]1CCCN(C1)CCCCCO 34a_100000717927_100000746330 [0,1,0,1,0,0|1,0,0]=3 25467 B13R1.6 C[C@H]1CCCN(C1)CCOCCO 2230a_100000717927_100011215305 [0,1,0,1,0,0|2,0,0]=4 25468 B13R1.6 C[C@H]1CCCN(C1)CCOCCO 269982a_100000717927_100011215305 [0,1,0,1,0,0|2,0,0]=4 25469 B13R1.6 C[C@H]1CCCN(C1)CCOCCO 34a_100000717927_100000692535 [0,1,0,1,0,0|2,0,0]=4 25470 B13R1.6 FCCCCCN1CCCC(C1)F 2230a_100000697950_100000729378 [0,1,0,1,0,0|2,0,0]=4 25471 B13R1.6 FCCCCCN1CCCC(C1)F 269982a_100000697950_100000729378 [0,1,0,1,0,0|2,0,0]=4 25472 B13R1.6 FCCCCCN1CCCC(C1)F 34a_100000697950_100000729378 [0,1,0,1,0,0|2,0,0]=4 25473 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,1,0,0|1,0,1]=4 25474 B13R1.6 OC1CCCC(C1)CNCCCF 2230a_100011254705_100011934791 [0,1,0,1,0,0|2,0,0]=4 25475 B13R1.6 OC1CCCC(C1)NCCCCF 2230a_100015190357_100000729493 [0,1,0,1,0,0|2,0,0]=4 25476 B13R1.6 OC1CCCN(C1)CCCCCF 2230a_100000211013_100000729378 [0,1,0,1,0,0|2,0,0]=4 25477 B13R1.6 OC1CCCN(C1)CCCCCF 269982a_100000211013_100000729378 [0,1,0,1,0,0|2,0,0]=4 25478 B13R1.6 OCCCCCN1CCCC(C1)F 2230a_100000697950_100000746330 [0,1,0,1,0,0|1,0,0]=3 25479 B13R1.6 OCCCCCN1CCCC(C1)F 269982a_100000697950_100000746330 [0,1,0,1,0,0|1,0,0]=3 25480 B13R1.6 OCCCCCN1CCCC(C1)F 34a_100000697950_100000746330 [0,1,0,1,0,0|1,0,0]=3 25481 B13R1.6 OCCCCCN1CCCC(C1)O 2230a_100000211013_100000746330 [0,1,0,1,0,0|1,0,0]=3 25482 B13R1.6 OCCCCCN1CCCC(C1)O 269982a_100000211013_100000746330 [0,1,0,1,0,0|1,0,0]=3 25483 B13R1.6 OCCCCCN1CCOC(C1)O 2230a_100000688207_100000746330 [0,1,0,1,0,0|2,0,0]=4 25484 B13R1.6 OCCCCCN1CCOC(C1)O 269982a_100000688207_100000746330 [0,1,0,1,0,0|2,0,0]=4 25485 B13R1.6 OCCCCNC1CCCC(C1)O 2230a_100015190357_100000210776 [0,1,0,1,0,0|1,0,0]=3 25486 B13R1.6 OCCCCNC1CCCC(C1)O 270004a_100000750430_100012613340 [0,1,0,1,0,0|1,0,0]=3 25487 B13R1.6 OCCCNCC1CCCC(C1)O 2230a_100011254705_100000230001 [0,1,0,1,0,0|1,0,0]=3 25488 B13R1.6 OCCOCCN1CCCC(C1)F 2230a_100000697950_100011215305 [0,1,0,1,0,0|2,0,0]=4 25489 B13R1.6 OCCOCCN1CCCC(C1)F 269982a_100000697950_100011215305 [0,1,0,1,0,0|2,0,0]=4 25490 B13R1.6 OCCOCCN1CCCC(C1)F 34a_100000697950_100000692535 [0,1,0,1,0,0|2,0,0]=4 25491 B13R1.6 OCCOCCN1CCCC(C1)O 2230a_100000211013_100011215305 [0,1,0,1,0,0|2,0,0]=4 25492 B13R1.6 OCCOCCN1CCCC(C1)O 269982a_100000211013_100011215305 [0,1,0,1,0,0|2,0,0]=4 25493 B13R1.42 CC(CCBr)OCC1CCCCC1 34a_100012276601_100000211423 [0,1,0,1,0,0|2,0,0]=4 25494 B13R1.42 CC(CCBr)OCC1CCCCO1 34a_100012276601_100000211543 [0,1,0,1,0,0|2,0,0]=4 25495 B13R1.42 CC(CCN)COC1CCCCC1 34a_106354213184_100000210327 [0,1,0,1,0,0|2,0,0]=4 25496 B13R1.42 CC(CCO)NCC1CCCCC1 2230a_100000210473_100009893172 [0,1,0,1,0,0|1,0,0]=3 25497 B13R1.42 CC(CCO)NCC1CCCCC1 34a_100000210473_100009893172 [0,1,0,1,0,0|1,0,0]=3 25498 B13R1.42 CC(CCO)NCC1CCCCO1 2230a_100000174945_100009893172 [0,1,0,1,0,0|2,0,0]=4 25499 B13R1.42 CC(CCO)NCC1CCCCO1 34a_100000174945_100009893172 [0,1,0,1,0,0|2,0,0]=4 25500 B13R1.42 CC(CCO)NCC1CCCOC1 2230a_100000720124_100009893172 [0,1,0,1,0,0|2,0,0]=4 25501 B13R1.42 CC(CCO)NCC1CCCOC1 34a_100000720124_100009893172 [0,1,0,1,0,0|2,0,0]=4 25502 B13R1.42 CC(CCO)NCC1CCOCC1 2230a_100000746373_100009893172 [0,1,0,1,0,0|2,0,0]=4 25503 B13R1.42 CC(CCO)NCC1CCOCC1 34a_100000746373_100009893172 [0,1,0,1,0,0|2,0,0]=4 25504 B13R1.42 CC(CCO)NCC1CCSCC1 2230a_100015188806_100009893172 [0,1,0,1,0,0|2,0,0]=4 25505 B13R1.42 CC(CCO)NCC1CCSCC1 34a_100015188806_100009893172 [0,1,0,1,0,0|2,0,0]=4 25506 B13R1.42 CC(CCO)OCC1CCCCC1 34a_100000212181_100009893172 [0,1,0,1,0,0|1,0,0]=3 25507 B13R1.42 CC(CCO)OCC1CCCCC1 7a_100000212181_100009893172 [0,1,0,1,0,0|1,0,0]=3 25508 B13R1.42 CC(CCO)OCC1CCCCN1 34a_100000210821_100009893172 [0,1,0,1,0,0|2,0,0]=4 25509 B13R1.42 CC(CCO)OCC1CCCCO1 34a_100000211370_100009893172 [0,1,0,1,0,0|2,0,0]=4 25510 B13R1.42 CC(CCO)OCC1CCCCO1 7a_100000211370_100009893172 [0,1,0,1,0,0|2,0,0]=4 25511 B13R1.42 CC(CCO)OCC1CCCNC1 34a_100000211344_100009893172 [0,1,0,1,0,0|2,0,0]=4 25512 B13R1.42 CC(CCO)OCC1CCCOC1 34a_100000741520_100009893172 [0,1,0,1,0,0|2,0,0]=4 25513 B13R1.42 CC(CCO)OCC1CCNCC1 34a_100000738675_100009893172 [0,1,0,1,0,0|2,0,0]=4 25514 B13R1.42 CC(CCO)OCC1CCOCC1 34a_100000749013_100009893172 [0,1,0,1,0,0|2,0,0]=4 25515 B13R1.42 CC(CCO)OCC1CCSCC1 34a_100000070558_100009893172 [0,1,0,1,0,0|2,0,0]=4 25516 B13R1.42 CC(CCO)OCC1CCSCC1 7a_100000070558_100009893172 [0,1,0,1,0,0|2,0,0]=4 25517 B13R1.42 CC(CCO)SCC1CCCCC1 62a_100000211423_100009893172 [0,1,0,1,0,0|1,0,0]=3 25518 B13R1.42 CC(CCO)SCC1CCCCC1 62a_100009893172_100000211423 [0,1,0,1,0,0|1,0,0]=3 25519 B13R1.42 CC(CCO)SCC1CCCCO1 62a_100000211543_100009893172 [0,1,0,1,0,0|2,0,0]=4 25520 B13R1.42 CC(CCO)SCC1CCCCO1 62a_100009893172_100000211543 [0,1,0,1,0,0|2,0,0]=4 25521 B13R1.42 CC(CCO)SCC1CCCOC1 62a_100000741521_100009893172 [0,1,0,1,0,0|2,0,0]=4 25522 B13R1.42 CC(CCO)SCC1CCCOC1 62a_100009893172_100000741521 [0,1,0,1,0,0|2,0,0]=4 25523 B13R1.42 CC(CCO)SCC1CCOCC1 62a_100000754603_100009893172 [0,1,0,1,0,0|2,0,0]=4 25524 B13R1.42 CC(CCO)SCC1CCOCC1 62a_100009893172_100000749018 [0,1,0,1,0,0|2,0,0]=4 25525 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,1,0,1,0,0|1,0,1]=4 25526 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,1,0,1,0,0|1,0,1]=4 25527 B13R1.42 CCCC(=O)CCC1OCCCO1 1458a_100000211992_100000764188 [0,1,0,1,0,0|1,0,1]=4 25528 B13R1.42 CCCC(=O)CCN1CCCCO1 1458a_200015184090_100000210303 [0,1,0,1,0,0|1,0,1]=4 25529 B13R1.42 CCCC(=O)NCC1CCCCO1 11a_100000174945_100000211992 [0,1,0,1,0,0|1,0,1]=4 25530 B13R1.42 CCCC(=O)NCC1CCCCO1 1626a_100000174945_100000211992 [0,1,0,1,0,0|1,0,1]=4 25531 B13R1.42 CCCC(=O)NCC1CCCCO1 240690a_100000174945_100000211992 [0,1,0,1,0,0|1,0,1]=4 25532 B13R1.42 CCCC(=O)NCC1CCCCO1 527a_100000174945_100000211992 [0,1,0,1,0,0|1,0,1]=4 25533 B13R1.42 CCCC(C)CNC1CCCCC1 2230a_100000182618_100011216630 [0,1,0,1,0,0|2,0,0]=4 25534 B13R1.42 CCCC(C)CNC1CCCCC1 270004a_100000182618_100000243154 [0,1,0,1,0,0|2,0,0]=4 25535 B13R1.42 CCCC(C)CNC1CCCCC1 34a_100000182618_100011216630 [0,1,0,1,0,0|2,0,0]=4 25536 B13R1.42 CCCC(C)COC1CCCCC1 34a_100000210231_100011216630 [0,1,0,1,0,0|2,0,0]=4 25537 B13R1.42 CCCC(C)COC1CCCCC1 34a_100000688023_100000210327 [0,1,0,1,0,0|2,0,0]=4 25538 B13R1.42 CCCC(C)COC1CCCCC1 7a_100000210231_100011216630 [0,1,0,1,0,0|2,0,0]=4 25539 B13R1.42 CCCC(C)COC1CCCCC1 7a_100000688023_100000210327 [0,1,0,1,0,0|2,0,0]=4 25540 B13R1.42 CCCC(C)COC1CCCCO1 34a_100000033831_100011216630 [0,1,0,1,0,0|1,0,0]=3 25541 B13R1.42 CCCC(C)CSC1CCCCC1 62a_100000210327_100011216630 [0,1,0,1,0,0|2,0,0]=4 25542 B13R1.42 CCCC(C)CSC1CCCCC1 62a_100011216630_100000210327 [0,1,0,1,0,0|2,0,0]=4 25543 B13R1.42 CCCC(C)NCC1CCCCC1 2230a_100000210473_100000766640 [0,1,0,1,0,0|2,0,0]=4 25544 B13R1.42 CCCC(C)NCC1CCCCC1 2230a_100000741246_100000211423 [0,1,0,1,0,0|2,0,0]=4 25545 B13R1.42 CCCC(C)NCC1CCCCC1 269862a_100000741246_100000211278 [0,1,0,1,0,0|2,0,0]=4 25546 B13R1.42 CCCC(C)NCC1CCCCC1 270004a_100000210473_100000211909 [0,1,0,1,0,0|2,0,0]=4 25547 B13R1.42 CCCC(C)NCC1CCCCC1 34a_100000210473_100000766640 [0,1,0,1,0,0|2,0,0]=4 25548 B13R1.42 CCCC(C)NCC1CCCCO1 2230a_100000174945_100000766640 [0,1,0,1,0,0|1,0,0]=3 25549 B13R1.42 CCCC(C)NCC1CCCCO1 2230a_100000741246_100000211543 [0,1,0,1,0,0|1,0,0]=3 25550 B13R1.42 CCCC(C)NCC1CCCCO1 270004a_100000174945_100000211909 [0,1,0,1,0,0|1,0,0]=3 25551 B13R1.42 CCCC(C)NCC1CCCCO1 34a_100000174945_100000766640 [0,1,0,1,0,0|1,0,0]=3 25552 B13R1.42 CCCC(C)NC[C@H]1COCCO1 2230a_100010981119_100000766640 [0,1,0,1,0,0|2,0,0]=4 25553 B13R1.42 CCCC(C)NC[C@H]1COCCO1 270004a_100010981119_100000211909 [0,1,0,1,0,0|2,0,0]=4 25554 B13R1.42 CCCC(C)NC[C@H]1COCCO1 34a_100010981119_100000766640 [0,1,0,1,0,0|2,0,0]=4 25555 B13R1.42 CCCC(C)OCC1CCCCC1 34a_100000212181_100000766640 [0,1,0,1,0,0|2,0,0]=4 25556 B13R1.42 CCCC(C)OCC1CCCCC1 34a_100000764384_100000211423 [0,1,0,1,0,0|2,0,0]=4 25557 B13R1.42 CCCC(C)OCC1CCCCC1 7a_100000212181_100000766640 [0,1,0,1,0,0|2,0,0]=4 25558 B13R1.42 CCCC(C)OCC1CCCCC1 7a_100000764384_100000211423 [0,1,0,1,0,0|2,0,0]=4 25559 B13R1.42 CCCC(C)OCC1CCCCN1 34a_100000210821_100000766640 [0,1,0,1,0,0|2,0,0]=4 25560 B13R1.42 CCCC(C)OCC1CCCCO1 34a_100000211370_100000766640 [0,1,0,1,0,0|1,0,0]=3 25561 B13R1.42 CCCC(C)OCC1CCCCO1 34a_100000764384_100000211543 [0,1,0,1,0,0|1,0,0]=3 25562 B13R1.42 CCCC(C)OCC1CCCCO1 7a_100000211370_100000766640 [0,1,0,1,0,0|1,0,0]=3 25563 B13R1.42 CCCC(C)OCC1CCCCO1 7a_100000764384_100000211543 [0,1,0,1,0,0|1,0,0]=3 25564 B13R1.42 CCCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000766640 [0,1,0,1,0,0|2,0,0]=4 25565 B13R1.42 CCCC(C)OC[C@H]1COCCO1 34a_100009875890_100000766640 [0,1,0,1,0,0|2,0,0]=4 25566 B13R1.42 CCCC(C)SCC1CCCCC1 62a_100000211423_100000766640 [0,1,0,1,0,0|2,0,0]=4 25567 B13R1.42 CCCC(C)SCC1CCCCC1 62a_100000766640_100000211423 [0,1,0,1,0,0|2,0,0]=4 25568 B13R1.42 CCCC(C)SCC1CCCCO1 62a_100000211543_100000766640 [0,1,0,1,0,0|1,0,0]=3 25569 B13R1.42 CCCC(C)SCC1CCCCO1 62a_100000766640_100000211543 [0,1,0,1,0,0|1,0,0]=3 25570 B13R1.42 CCCN(C)CCC1CCCCC1 2230a_100000747261_100012355289 [0,1,0,1,0,0|2,0,0]=4 25571 B13R1.42 CCCN(C)CCC1CCCCC1 269982a_100000747261_100011273959 [0,1,0,1,0,0|2,0,0]=4 25572 B13R1.42 CCCN(C)CCC1CCCCC1 270004a_100000747261_100011713444 [0,1,0,1,0,0|2,0,0]=4 25573 B13R1.42 CCCN(C)CCC1CCCCO1 2230a_100015183322_100000210303 [0,1,0,1,0,0|1,0,0]=3 25574 B13R1.42 CCCN(C)CCC1CCCCO1 269982a_100015183322_100000210303 [0,1,0,1,0,0|1,0,0]=3 25575 B13R1.42 CCCN(C)CCC1CCCCO1 34a_100015183322_100000210303 [0,1,0,1,0,0|1,0,0]=3 25576 B13R1.42 CCCN(C)CCC1OCCCO1 2230a_100000747261_100000764188 [0,1,0,1,0,0|2,0,0]=4 25577 B13R1.42 CCCN(C)CCC1OCCCO1 269982a_100000747261_100000764188 [0,1,0,1,0,0|2,0,0]=4 25578 B13R1.42 CCC[C@H](N)COC1CCCCC1 34a_100000732646_100000210327 [0,1,0,1,0,0|2,0,0]=4 25579 B13R1.42 CN(CCF)CCC1CCCCO1 2230a_100015183322_100011217306 [0,1,0,1,0,0|2,0,0]=4 25580 B13R1.42 CN(CCF)CCC1CCCCO1 269982a_100015183322_100011217306 [0,1,0,1,0,0|2,0,0]=4 25581 B13R1.42 CN(CCF)CCC1CCCCO1 34a_100015183322_100011217306 [0,1,0,1,0,0|2,0,0]=4 25582 B13R1.42 CN(CCO)CCC1CCCCC1 2230a_100000210263_100012355289 [0,1,0,1,0,0|1,0,0]=3 25583 B13R1.42 CN(CCO)CCC1CCCCC1 269982a_100000210263_100011273959 [0,1,0,1,0,0|1,0,0]=3 25584 B13R1.42 CN(CCO)CCC1CCCCC1 270004a_100000210263_100011713444 [0,1,0,1,0,0|1,0,0]=3 25585 B13R1.42 CN(CCO)CCC1CCCCO1 2230a_100015183322_100000211926 [0,1,0,1,0,0|2,0,0]=4 25586 B13R1.42 CN(CCO)CCC1CCCCO1 269982a_100015183322_100000211926 [0,1,0,1,0,0|2,0,0]=4 25587 B13R1.42 CN(CCO)CCC1CCCCO1 34a_100015183322_100000211926 [0,1,0,1,0,0|2,0,0]=4 25588 B13R1.42 CN(CCO)CCC1CCOCC1 2230a_100000210263_100011934994 [0,1,0,1,0,0|2,0,0]=4 25589 B13R1.42 CN(CCO)CCC1CCOCC1 269982a_100000210263_100011934994 [0,1,0,1,0,0|2,0,0]=4 25590 B13R1.42 CN(CCO)CCN1CCCCC1 2230a_100000210263_100000739454 [0,1,0,1,0,0|2,0,0]=4 25591 B13R1.42 CN(CCO)CCN1CCCCC1 269982a_100000210263_100000739454 [0,1,0,1,0,0|2,0,0]=4 25592 B13R1.42 CN(CCO)COC1CCCCC1 2230a_100000210263_100011935260 [0,1,0,1,0,0|2,0,0]=4 25593 B13R1.42 CN(CCO)COC1CCCCC1 269982a_100000210263_100011935260 [0,1,0,1,0,0|2,0,0]=4 25594 B13R1.42 COCC(C)NCC1CCCCO1 2230a_100000174945_100000765312 [0,1,0,1,0,0|2,0,0]=4 25595 B13R1.42 COCC(C)NCC1CCCCO1 270004a_100000174945_100000749346 [0,1,0,1,0,0|2,0,0]=4 25596 B13R1.42 COCC(C)NCC1CCCCO1 34a_100000174945_100000765312 [0,1,0,1,0,0|2,0,0]=4 25597 B13R1.42 COCC(C)OCC1CCCCO1 34a_100000211370_100000765312 [0,1,0,1,0,0|2,0,0]=4 25598 B13R1.42 COCC(C)OCC1CCCCO1 7a_100000211370_100000765312 [0,1,0,1,0,0|2,0,0]=4 25599 B13R1.42 COCC(C)SCC1CCCCO1 62a_100000211543_100000765312 [0,1,0,1,0,0|2,0,0]=4 25600 B13R1.42 COCC(C)SCC1CCCCO1 62a_100000765312_100000211543 [0,1,0,1,0,0|2,0,0]=4 25601 B13R1.42 COCC(O)COC1CCCCO1 34a_100000033831_100011215053 [0,1,0,1,0,0|2,0,0]=4 25602 B13R1.42 COCN(C)CCC1CCCCO1 2230a_100015183322_100000766300 [0,1,0,1,0,0|2,0,0]=4 25603 B13R1.42 COCN(C)CCC1CCCCO1 269982a_100015183322_100000766300 [0,1,0,1,0,0|2,0,0]=4 25604 B13R1.42 COC[C@@H](C)NCC1CCCCO1 2230a_100000764878_100000211543 [0,1,0,1,0,0|2,0,0]=4 25605 B13R1.42 COC[C@@H](C)OCC1CCCCO1 34a_100011934205_100000211543 [0,1,0,1,0,0|2,0,0]=4 25606 B13R1.42 CSCC(C)NCC1CCCCO1 270004a_100000174945_100011216314 [0,1,0,1,0,0|2,0,0]=4 25607 B13R1.42 CSCN(C)CCC1CCCCO1 2230a_100015183322_100011218213 [0,1,0,1,0,0|2,0,0]=4 25608 B13R1.42 CSCN(C)CCC1CCCCO1 269982a_100015183322_100011218213 [0,1,0,1,0,0|2,0,0]=4 25609 B13R1.42 CSCN(C)CCC1CCCCO1 34a_100015183322_100011218213 [0,1,0,1,0,0|2,0,0]=4 25610 B13R1.42 C[C@H](CCO)NCC1CCCCC1 2230a_100000706166_100000211423 [0,1,0,1,0,0|1,0,0]=3 25611 B13R1.42 C[C@H](CCO)NCC1CCCCC1 269862a_100000706166_100000211278 [0,1,0,1,0,0|1,0,0]=3 25612 B13R1.42 C[C@H](CCO)NCC1CCCCC1 34a_100000706166_100000211423 [0,1,0,1,0,0|1,0,0]=3 25613 B13R1.42 C[C@H](CCO)NCC1CCCCO1 2230a_100000706166_100000211543 [0,1,0,1,0,0|2,0,0]=4 25614 B13R1.42 C[C@H](CCO)NCC1CCCCO1 34a_100000706166_100000211543 [0,1,0,1,0,0|2,0,0]=4 25615 B13R1.42 C[C@H](CCO)NCC1CCCOC1 2230a_100000706166_100000741521 [0,1,0,1,0,0|2,0,0]=4 25616 B13R1.42 C[C@H](CCO)NCC1CCCOC1 34a_100000706166_100000741521 [0,1,0,1,0,0|2,0,0]=4 25617 B13R1.42 C[C@H](CCO)NCC1CCOCC1 2230a_100000706166_100000754603 [0,1,0,1,0,0|2,0,0]=4 25618 B13R1.42 C[C@H](CCO)NCC1CCOCC1 269862a_100000706166_100000749017 [0,1,0,1,0,0|2,0,0]=4 25619 B13R1.42 C[C@H](CCO)NCC1CCOCC1 34a_100000706166_100000754603 [0,1,0,1,0,0|2,0,0]=4 25620 B13R1.42 C[C@H](CCO)NCC1CCSCC1 269862a_100000706166_100000067145 [0,1,0,1,0,0|2,0,0]=4 25621 B13R1.42 C[C@H](CCO)NCC1CCSCC1 270004a_100000706166_100000067145 [0,1,0,1,0,0|2,0,0]=4 25622 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,1,0,1,0,0|1,0,1]=4 25623 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,1,0,1,0,0|0,0,1]=3 25624 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,1,0,1,0,0|0,0,1]=3 25625 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [0,1,0,1,0,0|1,0,1]=4 25626 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100000743487_100000211926 [0,1,0,1,0,0|1,0,1]=4 25627 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100011216618_100000739454 [0,1,0,1,0,0|1,0,1]=4 25628 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011216618_100011935260 [0,1,0,1,0,0|1,0,1]=4 25629 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011223303_100000211926 [0,1,0,1,0,0|1,0,1]=4 25630 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,1,0,1,0,0|1,0,1]=4 25631 B13R1.119 BrCCCCCCOC1CCCC1 34a_100011215345_100000179811 [0,1,0,1,0,0|1,0,0]=3 25632 B13R1.119 BrCCCCCCOC1CCCC1 7a_100011215345_100000179811 [0,1,0,1,0,0|1,0,0]=3 25633 B13R1.119 BrCCCCCCOC1CCOC1 34a_100011215345_100000690089 [0,1,0,1,0,0|2,0,0]=4 25634 B13R1.119 BrCCCCCCOC1CCOC1 7a_100011215345_100000731011 [0,1,0,1,0,0|2,0,0]=4 25635 B13R1.119 BrCCCCCOCC1CCCC1 34a_100000746331_100000740388 [0,1,0,1,0,0|1,0,0]=3 25636 B13R1.119 BrCCCCCOCC1CCCC1 7a_100000746331_100000740388 [0,1,0,1,0,0|1,0,0]=3 25637 B13R1.119 BrCCCCCOCC1CCCO1 7a_100000746331_100000203698 [0,1,0,1,0,0|1,0,0]=3 25638 B13R1.119 BrCCCCCOCC1CCOC1 34a_100000746331_100011261433 [0,1,0,1,0,0|2,0,0]=4 25639 B13R1.119 BrCCCCCOCC1CCOC1 7a_100000746331_100000702531 [0,1,0,1,0,0|2,0,0]=4 25640 B13R1.119 BrCCCCCOCC1OCCO1 34a_100000746331_100000755774 [0,1,0,1,0,0|2,0,0]=4 25641 B13R1.119 BrCCCCCOCC1OCCO1 7a_100000746331_100000755774 [0,1,0,1,0,0|2,0,0]=4 25642 B13R1.119 BrCCCCOCCC1CCCC1 34a_100011216708_100000760354 [0,1,0,1,0,0|1,0,0]=3 25643 B13R1.119 BrCCCCOCCC1OCCO1 34a_100011216708_100000740749 [0,1,0,1,0,0|2,0,0]=4 25644 B13R1.119 BrCCCOCCCC1CCCC1 34a_100011217188_100011713738 [0,1,0,1,0,0|1,0,0]=3 25645 B13R1.119 BrCCCOCCCC1OCCO1 34a_100011217188_100009861162 [0,1,0,1,0,0|2,0,0]=4 25646 B13R1.119 BrCCCOCCCN1CCCC1 34a_100011217188_100016991639 [0,1,0,1,0,0|2,0,0]=4 25647 B13R1.119 BrCCOCCCCC1OCCO1 34a_100000211926_200009813554 [0,1,0,1,0,0|2,0,0]=4 25648 B13R1.119 BrCCOCCOCC1CCCC1 34a_100000692535_100000740388 [0,1,0,1,0,0|2,0,0]=4 25649 B13R1.119 BrCCOCCOCC1CCCC1 7a_100000692535_100000740388 [0,1,0,1,0,0|2,0,0]=4 25650 B13R1.119 BrCCOCCOCC1CCCO1 7a_100000692535_100000203698 [0,1,0,1,0,0|2,0,0]=4 25651 B13R1.119 C#CCCCCCCN1CCCC1 2230a_100000188435_100012276617 [0,1,0,1,0,0|1,0,1]=4 25652 B13R1.119 C#CCCCCCCN1CCCC1 269982a_100000188435_100012276617 [0,1,0,1,0,0|1,0,1]=4 25653 B13R1.119 C#CCCCCCNC1CCCC1 2230a_100000211070_100012094781 [0,1,0,1,0,0|1,0,1]=4 25654 B13R1.119 C#CCCCCCNC1CCCC1 34a_100000211070_100012094781 [0,1,0,1,0,0|1,0,1]=4 25655 B13R1.119 C#CCCCCCOC1CCCC1 34a_100000210269_100012094781 [0,1,0,1,0,0|1,0,1]=4 25656 B13R1.119 C#CCCCCCOC1CCCC1 34a_100000766912_100000179811 [0,1,0,1,0,0|1,0,1]=4 25657 B13R1.119 C#CCCCCCOC1CCCC1 7a_100000210269_100012094781 [0,1,0,1,0,0|1,0,1]=4 25658 B13R1.119 C#CCCCCCOC1CCCC1 7a_100000766912_100000179811 [0,1,0,1,0,0|1,0,1]=4 25659 B13R1.119 C#CCCCCCOC1CCCO1 34a_100000085407_100012094781 [0,1,0,1,0,0|0,0,2]=4 25660 B13R1.119 C#CCCCCCSC1CCCC1 62a_100011217020_100012094781 [0,1,0,1,0,0|1,0,1]=4 25661 B13R1.119 C#CCCCCCSC1CCCC1 62a_100012094781_100000179811 [0,1,0,1,0,0|1,0,1]=4 25662 B13R1.119 C#CCCCCNCC1CCCC1 2230a_100000706060_100000740388 [0,1,0,1,0,0|1,0,1]=4 25663 B13R1.119 C#CCCCCNCC1CCCC1 2230a_100000737975_100010269958 [0,1,0,1,0,0|1,0,1]=4 25664 B13R1.119 C#CCCCCNCC1CCCC1 34a_100000706060_100000740388 [0,1,0,1,0,0|1,0,1]=4 25665 B13R1.119 C#CCCCCNCC1CCCC1 34a_100000737975_100010269958 [0,1,0,1,0,0|1,0,1]=4 25666 B13R1.119 C#CCCCCNCC1CCCO1 2230a_100000706060_100000203698 [0,1,0,1,0,0|0,0,2]=4 25667 B13R1.119 C#CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100010269958 [0,1,0,1,0,0|0,0,2]=4 25668 B13R1.119 C#CCCCCNC[C@@H]1CCCO1 34a_100020590478_100010269958 [0,1,0,1,0,0|0,0,2]=4 25669 B13R1.119 C#CCCCCOCC1CCCC1 34a_100000742336_100010269958 [0,1,0,1,0,0|1,0,1]=4 25670 B13R1.119 C#CCCCCOCC1CCCC1 34a_100000766709_100000740388 [0,1,0,1,0,0|1,0,1]=4 25671 B13R1.119 C#CCCCCOCC1CCCC1 7a_100000742336_100010269958 [0,1,0,1,0,0|1,0,1]=4 25672 B13R1.119 C#CCCCCOCC1CCCC1 7a_100000766709_100000740388 [0,1,0,1,0,0|1,0,1]=4 25673 B13R1.119 C#CCCCCOCC1CCCO1 34a_100000210270_100010269958 [0,1,0,1,0,0|0,0,2]=4 25674 B13R1.119 C#CCCCCOCC1CCCO1 7a_100000210270_100010269958 [0,1,0,1,0,0|0,0,2]=4 25675 B13R1.119 C#CCCCCOCC1CCCO1 7a_100000766709_100000203698 [0,1,0,1,0,0|0,0,2]=4 25676 B13R1.119 C#CCCCCSCC1CCCC1 62a_100000740388_100010269958 [0,1,0,1,0,0|1,0,1]=4 25677 B13R1.119 C#CCCCCSCC1CCCC1 62a_100010269958_100000740388 [0,1,0,1,0,0|1,0,1]=4 25678 B13R1.119 C#CCCCCSCC1CCCO1 62a_100000203698_100010269958 [0,1,0,1,0,0|0,0,2]=4 25679 B13R1.119 C#CCCCCSCC1CCCO1 62a_100010269958_100000203698 [0,1,0,1,0,0|0,0,2]=4 25680 B13R1.119 C#CCCCNCCC1CCCC1 2230a_100000739158_100000731252 [0,1,0,1,0,0|1,0,1]=4 25681 B13R1.119 C#CCCCNCCC1CCCC1 34a_100000718082_100000760354 [0,1,0,1,0,0|1,0,1]=4 25682 B13R1.119 C#CCCCNCCC1CCCC1 34a_100000739158_100000695029 [0,1,0,1,0,0|1,0,1]=4 25683 B13R1.119 C#CCCCOCCC1CCCC1 34a_100000215630_100000760354 [0,1,0,1,0,0|1,0,1]=4 25684 B13R1.119 C#CCCCOCCC1CCCC1 34a_100000749090_100000695029 [0,1,0,1,0,0|1,0,1]=4 25685 B13R1.119 C#CCCCOCCC1CCCC1 7a_100000215630_100000760354 [0,1,0,1,0,0|1,0,1]=4 25686 B13R1.119 C#CCCCOCCC1CCCC1 7a_100000749090_100011215417 [0,1,0,1,0,0|1,0,1]=4 25687 B13R1.119 C#CCCCSCCC1CCCC1 62a_100000760354_100011215417 [0,1,0,1,0,0|1,0,1]=4 25688 B13R1.119 C#CCCCSCCC1CCCC1 62a_100011215417_100000760354 [0,1,0,1,0,0|1,0,1]=4 25689 B13R1.119 C#CCCNCCCC1CCCC1 2230a_100000736752_100000688953 [0,1,0,1,0,0|1,0,1]=4 25690 B13R1.119 C#CCCNCCCC1CCCC1 34a_100000736752_100000688953 [0,1,0,1,0,0|1,0,1]=4 25691 B13R1.119 C#CCCNCCCC1CCCC1 34a_100000755551_100011713738 [0,1,0,1,0,0|1,0,1]=4 25692 B13R1.119 C#CCCOCCCC1CCCC1 34a_100011215328_100000688953 [0,1,0,1,0,0|1,0,1]=4 25693 B13R1.119 C#CCCOCCCC1CCCC1 34a_100011215631_100011713738 [0,1,0,1,0,0|1,0,1]=4 25694 B13R1.119 C#CCCOCCCC1CCCC1 7a_100011215328_100000688953 [0,1,0,1,0,0|1,0,1]=4 25695 B13R1.119 C#CCCSCCCC1CCCC1 62a_100000688953_100011713738 [0,1,0,1,0,0|1,0,1]=4 25696 B13R1.119 C#CCCSCCCC1CCCC1 62a_100011713738_100000688953 [0,1,0,1,0,0|1,0,1]=4 25697 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [0,1,0,1,0,0|1,0,1]=4 25698 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [0,1,0,1,0,0|1,0,1]=4 25699 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [0,1,0,1,0,0|1,0,1]=4 25700 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [0,1,0,1,0,0|1,0,1]=4 25701 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [0,1,0,1,0,0|1,0,1]=4 25702 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [0,1,0,1,0,0|1,0,1]=4 25703 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [0,1,0,1,0,0|1,0,1]=4 25704 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [0,1,0,1,0,0|1,0,1]=4 25705 B13R1.119 C=CCCCCCOC1CCCO1 34a_100000085407_100000700193 [0,1,0,1,0,0|0,0,2]=4 25706 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [0,1,0,1,0,0|1,0,1]=4 25707 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [0,1,0,1,0,0|1,0,1]=4 25708 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [0,1,0,1,0,0|1,0,1]=4 25709 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [0,1,0,1,0,0|1,0,1]=4 25710 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [0,1,0,1,0,0|1,0,1]=4 25711 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [0,1,0,1,0,0|1,0,1]=4 25712 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [0,1,0,1,0,0|1,0,1]=4 25713 B13R1.119 C=CCCCCNCC1CCCO1 2230a_100000703577_100000203698 [0,1,0,1,0,0|0,0,2]=4 25714 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011215482 [0,1,0,1,0,0|0,0,2]=4 25715 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 34a_100020590478_100011215482 [0,1,0,1,0,0|0,0,2]=4 25716 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [0,1,0,1,0,0|1,0,1]=4 25717 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [0,1,0,1,0,0|1,0,1]=4 25718 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [0,1,0,1,0,0|1,0,1]=4 25719 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [0,1,0,1,0,0|1,0,1]=4 25720 B13R1.119 C=CCCCCOCC1CCCO1 34a_100000210270_100011215482 [0,1,0,1,0,0|0,0,2]=4 25721 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000210270_100011215482 [0,1,0,1,0,0|0,0,2]=4 25722 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000766645_100000203698 [0,1,0,1,0,0|0,0,2]=4 25723 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [0,1,0,1,0,0|1,0,1]=4 25724 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [0,1,0,1,0,0|1,0,1]=4 25725 B13R1.119 C=CCCCCSCC1CCCO1 62a_100000203698_100011215482 [0,1,0,1,0,0|0,0,2]=4 25726 B13R1.119 C=CCCCCSCC1CCCO1 62a_100011215482_100000203698 [0,1,0,1,0,0|0,0,2]=4 25727 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [0,1,0,1,0,0|1,0,1]=4 25728 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [0,1,0,1,0,0|1,0,1]=4 25729 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [0,1,0,1,0,0|1,0,1]=4 25730 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [0,1,0,1,0,0|1,0,1]=4 25731 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [0,1,0,1,0,0|1,0,1]=4 25732 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [0,1,0,1,0,0|1,0,1]=4 25733 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [0,1,0,1,0,0|1,0,1]=4 25734 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [0,1,0,1,0,0|1,0,1]=4 25735 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [0,1,0,1,0,0|1,0,1]=4 25736 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [0,1,0,1,0,0|1,0,1]=4 25737 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [0,1,0,1,0,0|1,0,1]=4 25738 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [0,1,0,1,0,0|1,0,1]=4 25739 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [0,1,0,1,0,0|1,0,1]=4 25740 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [0,1,0,1,0,0|1,0,1]=4 25741 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [0,1,0,1,0,0|1,0,1]=4 25742 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [0,1,0,1,0,0|1,0,1]=4 25743 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [0,1,0,1,0,0|1,0,1]=4 25744 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [0,1,0,1,0,0|1,0,1]=4 25745 B13R1.119 CC/C=C\CCNC[C@@H]1CCCO1 2230a_100020590478_100015370543 [0,1,0,1,0,0|0,0,2]=4 25746 B13R1.119 CC/C=C\CCNC[C@@H]1CCCO1 34a_100020590478_100015370543 [0,1,0,1,0,0|0,0,2]=4 25747 B13R1.119 CC/C=C\CCOCC1CCCO1 34a_100000210270_100015370543 [0,1,0,1,0,0|0,0,2]=4 25748 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100000210270_100015370543 [0,1,0,1,0,0|0,0,2]=4 25749 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100016288707_100000203698 [0,1,0,1,0,0|0,0,2]=4 25750 B13R1.119 CC/C=C\CCSCC1CCCO1 62a_100000203698_100015370543 [0,1,0,1,0,0|0,0,2]=4 25751 B13R1.119 CC/C=C\CCSCC1CCCO1 62a_100015370543_100000203698 [0,1,0,1,0,0|0,0,2]=4 25752 B13R1.119 CCC#CCCOCC1CCCO1 7a_100000036655_100000203698 [0,1,0,1,0,0|0,0,2]=4 25753 B13R1.119 CCC/C=C/COCC1CCCO1 7a_100016278788_100000203698 [0,1,0,1,0,0|0,0,2]=4 25754 B13R1.119 CCCC#CCOCC1CCCO1 7a_100000034806_100000203698 [0,1,0,1,0,0|0,0,2]=4 25755 B13R1.119 CCCCCCCCN1CCCC1 2230a_100000188435_100000210759 [0,1,0,1,0,0|1,0,0]=3 25756 B13R1.119 CCCCCCCCN1CCCC1 269982a_100000188435_100000210759 [0,1,0,1,0,0|1,0,0]=3 25757 B13R1.119 CCCCCCCCN1CCSC1 2230a_100011215254_100000210759 [0,1,0,1,0,0|1,1,0]=4 25758 B13R1.119 CCCCCCCCN1CCSC1 269982a_100011215254_100000210759 [0,1,0,1,0,0|1,1,0]=4 25759 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000211070_100000210681 [0,1,0,1,0,0|1,0,0]=3 25760 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000229938_100000179811 [0,1,0,1,0,0|1,0,0]=3 25761 B13R1.119 CCCCCCCNC1CCCC1 270004a_100000229938_100000210133 [0,1,0,1,0,0|1,0,0]=3 25762 B13R1.119 CCCCCCCNC1CCCC1 34a_100000211070_100000210614 [0,1,0,1,0,0|1,0,0]=3 25763 B13R1.119 CCCCCCCNC1CCOC1 2230a_100000229938_100000731011 [0,1,0,1,0,0|1,0,0]=3 25764 B13R1.119 CCCCCCCNC1CCOC1 270004a_100000229938_100000752484 [0,1,0,1,0,0|1,0,0]=3 25765 B13R1.119 CCCCCCCNC1CCSC1 270004a_100000229938_100000212027 [0,1,0,1,0,0|1,1,0]=4 25766 B13R1.119 CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210681 [0,1,0,1,0,0|1,0,0]=3 25767 B13R1.119 CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210681 [0,1,0,1,0,0|1,0,0]=3 25768 B13R1.119 CCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210614 [0,1,0,1,0,0|1,0,0]=3 25769 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210269_100000210614 [0,1,0,1,0,0|1,0,0]=3 25770 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210272_100000179811 [0,1,0,1,0,0|1,0,0]=3 25771 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210269_100000210614 [0,1,0,1,0,0|1,0,0]=3 25772 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210272_100000179811 [0,1,0,1,0,0|1,0,0]=3 25773 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,1,0,1,0,0|0,0,0]=2 25774 B13R1.119 CCCCCCCOC1CCOC1 34a_100000210272_100000690089 [0,1,0,1,0,0|1,0,0]=3 25775 B13R1.119 CCCCCCCOC1CCOC1 7a_100000210272_100000731011 [0,1,0,1,0,0|1,0,0]=3 25776 B13R1.119 CCCCCCCOC1CCSC1 7a_100011232664_100000210614 [0,1,0,1,0,0|1,1,0]=4 25777 B13R1.119 CCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210614 [0,1,0,1,0,0|1,0,0]=3 25778 B13R1.119 CCCCCCCSC1CCCC1 62a_100000210614_100000179811 [0,1,0,1,0,0|1,0,0]=3 25779 B13R1.119 CCCCCCCSC1CCCC1 62a_100011217020_100000210316 [0,1,0,1,0,0|1,0,0]=3 25780 B13R1.119 CCCCCCCSC1CCOC1 62a_100000210614_100000690089 [0,1,0,1,0,0|1,0,0]=3 25781 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000210581_100000740388 [0,1,0,1,0,0|1,0,0]=3 25782 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000737975_100000210314 [0,1,0,1,0,0|1,0,0]=3 25783 B13R1.119 CCCCCCNCC1CCCC1 269862a_100000210581_100000746403 [0,1,0,1,0,0|1,0,0]=3 25784 B13R1.119 CCCCCCNCC1CCCC1 34a_100000737975_100000210314 [0,1,0,1,0,0|1,0,0]=3 25785 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [0,1,0,1,0,0|0,0,0]=2 25786 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000210581_100000702531 [0,1,0,1,0,0|1,0,0]=3 25787 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000737293_100000210314 [0,1,0,1,0,0|1,0,0]=3 25788 B13R1.119 CCCCCCNCC1CCOC1 34a_100000737293_100000210314 [0,1,0,1,0,0|1,0,0]=3 25789 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000036311_100000210314 [0,1,0,1,0,0|1,0,0]=3 25790 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000210581_100000755774 [0,1,0,1,0,0|1,0,0]=3 25791 B13R1.119 CCCCCCNCC1OCCO1 34a_100000036311_100000210314 [0,1,0,1,0,0|1,0,0]=3 25792 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [0,1,0,1,0,0|0,0,0]=2 25793 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [0,1,0,1,0,0|0,0,0]=2 25794 B13R1.119 CCCCCCOCC1CCCC1 34a_100000210259_100000740388 [0,1,0,1,0,0|1,0,0]=3 25795 B13R1.119 CCCCCCOCC1CCCC1 34a_100000742336_100000210314 [0,1,0,1,0,0|1,0,0]=3 25796 B13R1.119 CCCCCCOCC1CCCC1 7a_100000210259_100000740388 [0,1,0,1,0,0|1,0,0]=3 25797 B13R1.119 CCCCCCOCC1CCCC1 7a_100000742336_100000210314 [0,1,0,1,0,0|1,0,0]=3 25798 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [0,1,0,1,0,0|0,0,0]=2 25799 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [0,1,0,1,0,0|0,0,0]=2 25800 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [0,1,0,1,0,0|0,0,0]=2 25801 B13R1.119 CCCCCCOCC1CCNC1 34a_100000748654_100000210314 [0,1,0,1,0,0|2,0,0]=4 25802 B13R1.119 CCCCCCOCC1CCOC1 34a_100000210259_100011261433 [0,1,0,1,0,0|1,0,0]=3 25803 B13R1.119 CCCCCCOCC1CCOC1 34a_100000740260_100000210314 [0,1,0,1,0,0|1,0,0]=3 25804 B13R1.119 CCCCCCOCC1CCOC1 7a_100000210259_100000702531 [0,1,0,1,0,0|1,0,0]=3 25805 B13R1.119 CCCCCCOCC1COCO1 34a_100011216627_100000210314 [0,1,0,1,0,0|1,0,0]=3 25806 B13R1.119 CCCCCCOCC1OCCO1 34a_100000087154_100000210314 [0,1,0,1,0,0|1,0,0]=3 25807 B13R1.119 CCCCCCOCC1OCCO1 34a_100000210259_100000755774 [0,1,0,1,0,0|1,0,0]=3 25808 B13R1.119 CCCCCCOCC1OCCO1 7a_100000210259_100000755774 [0,1,0,1,0,0|1,0,0]=3 25809 B13R1.119 CCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210314 [0,1,0,1,0,0|1,0,0]=3 25810 B13R1.119 CCCCCCSCC1CCCC1 62a_100000210314_100000740388 [0,1,0,1,0,0|1,0,0]=3 25811 B13R1.119 CCCCCCSCC1CCCC1 62a_100000740388_100000210757 [0,1,0,1,0,0|1,0,0]=3 25812 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [0,1,0,1,0,0|0,0,0]=2 25813 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [0,1,0,1,0,0|0,0,0]=2 25814 B13R1.119 CCCCCCSCC1CCOC1 62a_100000210314_100000702531 [0,1,0,1,0,0|1,0,0]=3 25815 B13R1.119 CCCCCCSCC1CCOC1 62a_100000702531_100000210757 [0,1,0,1,0,0|1,0,0]=3 25816 B13R1.119 CCCCCCSCC1OCCO1 62a_100000210314_100000755774 [0,1,0,1,0,0|1,0,0]=3 25817 B13R1.119 CCCCCCSCC1OCCO1 62a_100000755774_100000210757 [0,1,0,1,0,0|1,0,0]=3 25818 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000209983_100000760354 [0,1,0,1,0,0|1,0,0]=3 25819 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000739158_100000210326 [0,1,0,1,0,0|1,0,0]=3 25820 B13R1.119 CCCCCNCCC1CCCC1 34a_100000739158_100000718602 [0,1,0,1,0,0|1,0,0]=3 25821 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000034215_100000210326 [0,1,0,1,0,0|1,0,0]=3 25822 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000209983_100000740749 [0,1,0,1,0,0|1,0,0]=3 25823 B13R1.119 CCCCCNCCC1OCCO1 34a_100000034215_100000718602 [0,1,0,1,0,0|1,0,0]=3 25824 B13R1.119 CCCCCOCCC1CCCC1 34a_100000210253_100000760354 [0,1,0,1,0,0|1,0,0]=3 25825 B13R1.119 CCCCCOCCC1CCCC1 34a_100000749090_100000718602 [0,1,0,1,0,0|1,0,0]=3 25826 B13R1.119 CCCCCOCCC1CCCC1 7a_100000210253_100000760354 [0,1,0,1,0,0|1,0,0]=3 25827 B13R1.119 CCCCCOCCC1CCCC1 7a_100000749090_100000210326 [0,1,0,1,0,0|1,0,0]=3 25828 B13R1.119 CCCCCOCCC1CCNC1 34a_100016987287_100000718602 [0,1,0,1,0,0|2,0,0]=4 25829 B13R1.119 CCCCCOCCC1CCOC1 34a_100011879284_100000718602 [0,1,0,1,0,0|1,0,0]=3 25830 B13R1.119 CCCCCOCCC1OCCO1 34a_100000210253_100000740749 [0,1,0,1,0,0|1,0,0]=3 25831 B13R1.119 CCCCCOCCC1OCCO1 7a_100000210253_100000740749 [0,1,0,1,0,0|1,0,0]=3 25832 B13R1.119 CCCCCOCCN1CCCC1 7a_100000210253_100000004467 [0,1,0,1,0,0|2,0,0]=4 25833 B13R1.119 CCCCCSCCC1CCCC1 62a_100000210326_100000760354 [0,1,0,1,0,0|1,0,0]=3 25834 B13R1.119 CCCCCSCCC1CCCC1 62a_100000760354_100000210326 [0,1,0,1,0,0|1,0,0]=3 25835 B13R1.119 CCCCCSCCC1OCCO1 62a_100000210326_100000740749 [0,1,0,1,0,0|1,0,0]=3 25836 B13R1.119 CCCCCSCCN1CCCC1 62a_100000210326_100000004467 [0,1,0,1,0,0|2,0,0]=4 25837 B13R1.119 CCCCCSCCN1CCCC1 62a_100000700749_100000210326 [0,1,0,1,0,0|2,0,0]=4 25838 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000102301_100011713738 [0,1,0,1,0,0|1,0,0]=3 25839 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000736752_100000210211 [0,1,0,1,0,0|1,0,0]=3 25840 B13R1.119 CCCCNCCCC1CCCC1 34a_100000736752_100000210210 [0,1,0,1,0,0|1,0,0]=3 25841 B13R1.119 CCCCNCCCC1CCCC1 7a_106832991798_100011713738 [0,1,0,1,0,0|1,0,0]=3 25842 B13R1.119 CCCCNCCCC1OCCO1 2230a_100000102301_100000042513 [0,1,0,1,0,0|1,0,0]=3 25843 B13R1.119 CCCCNCCCC1OCCO1 7a_106832991798_100000042513 [0,1,0,1,0,0|1,0,0]=3 25844 B13R1.119 CCCCNCCCN1CCCC1 2230a_100000102301_100011445909 [0,1,0,1,0,0|2,0,0]=4 25845 B13R1.119 CCCCNCCCN1CCCC1 7a_106832991798_100011445909 [0,1,0,1,0,0|2,0,0]=4 25846 B13R1.119 CCCCNCCOC1CCCC1 34a_100000741755_100000210210 [0,1,0,1,0,0|2,0,0]=4 25847 B13R1.119 CCCCOCCCC1CCCC1 34a_100000210227_100011713738 [0,1,0,1,0,0|1,0,0]=3 25848 B13R1.119 CCCCOCCCC1CCCC1 34a_100011215328_100000210210 [0,1,0,1,0,0|1,0,0]=3 25849 B13R1.119 CCCCOCCCC1CCCC1 7a_100000210227_100011713738 [0,1,0,1,0,0|1,0,0]=3 25850 B13R1.119 CCCCOCCCC1CCCC1 7a_100011215328_100000210211 [0,1,0,1,0,0|1,0,0]=3 25851 B13R1.119 CCCCOCCCC1OCCO1 34a_100000210227_100009861162 [0,1,0,1,0,0|1,0,0]=3 25852 B13R1.119 CCCCOCCCC1OCCO1 34a_100009871617_100000210210 [0,1,0,1,0,0|1,0,0]=3 25853 B13R1.119 CCCCOCCCC1OCCO1 7a_100000210227_100000042513 [0,1,0,1,0,0|1,0,0]=3 25854 B13R1.119 CCCCOCCCC1OCCO1 7a_100009871617_100000210211 [0,1,0,1,0,0|1,0,0]=3 25855 B13R1.119 CCCCOCCCN1CCCC1 34a_100000210227_100016991639 [0,1,0,1,0,0|2,0,0]=4 25856 B13R1.119 CCCCOCCCN1CCCC1 7a_100000210227_100011445909 [0,1,0,1,0,0|2,0,0]=4 25857 B13R1.119 CCCCOCCNC1CCCC1 2230a_100000211070_100000743108 [0,1,0,1,0,0|2,0,0]=4 25858 B13R1.119 CCCCOCCNC1CCCC1 34a_100000211070_100000743108 [0,1,0,1,0,0|2,0,0]=4 25859 B13R1.119 CCCCOCCNC1CCCC1 34a_200000200444_100000210210 [0,1,0,1,0,0|2,0,0]=4 25860 B13R1.119 CCCCOCCN[C@@H]1CCOC1 2230a_200015188469_100000743108 [0,1,0,1,0,0|2,0,0]=4 25861 B13R1.119 CCCCOCCN[C@H]1CCOC1 2230a_100015188467_100000743108 [0,1,0,1,0,0|2,0,0]=4 25862 B13R1.119 CCCCOCCN[C@H]1CCOC1 34a_100015188467_100000743108 [0,1,0,1,0,0|2,0,0]=4 25863 B13R1.119 CCCCOCCOC1CCCC1 34a_100000210238_100000179811 [0,1,0,1,0,0|2,0,0]=4 25864 B13R1.119 CCCCOCCOC1CCCC1 34a_100000210269_100000743108 [0,1,0,1,0,0|2,0,0]=4 25865 B13R1.119 CCCCOCCOC1CCCC1 34a_100000738311_100000210210 [0,1,0,1,0,0|2,0,0]=4 25866 B13R1.119 CCCCOCCOC1CCCC1 7a_100000210238_100000179811 [0,1,0,1,0,0|2,0,0]=4 25867 B13R1.119 CCCCOCCOC1CCCC1 7a_100000210269_100000743108 [0,1,0,1,0,0|2,0,0]=4 25868 B13R1.119 CCCCOCCOC1CCCC1 7a_100000738311_100000210211 [0,1,0,1,0,0|2,0,0]=4 25869 B13R1.119 CCCCOCCOC1CCCO1 34a_100000085407_100000743108 [0,1,0,1,0,0|1,0,0]=3 25870 B13R1.119 CCCCOCCOC1CCOC1 34a_100000210238_100000690089 [0,1,0,1,0,0|2,0,0]=4 25871 B13R1.119 CCCCOCCOC1CCOC1 7a_100000210238_100000731011 [0,1,0,1,0,0|2,0,0]=4 25872 B13R1.119 CCCCOCCO[C@H]1CCOC1 34a_100000717292_100000743108 [0,1,0,1,0,0|2,0,0]=4 25873 B13R1.119 CCCCOCCSC1CCCC1 62a_100000743108_100000179811 [0,1,0,1,0,0|2,0,0]=4 25874 B13R1.119 CCCCOCCSC1CCCC1 62a_100011217020_100000743108 [0,1,0,1,0,0|2,0,0]=4 25875 B13R1.119 CCCCOCCSC1CCOC1 62a_100000743108_100000690089 [0,1,0,1,0,0|2,0,0]=4 25876 B13R1.119 CCCCOCNCC1CCCC1 2230a_100000737975_100011995733 [0,1,0,1,0,0|2,0,0]=4 25877 B13R1.119 CCCCOCNCC1CCCC1 34a_100000737975_100011995733 [0,1,0,1,0,0|2,0,0]=4 25878 B13R1.119 CCCCOCNCC1CCOC1 2230a_100000737293_100011995733 [0,1,0,1,0,0|2,0,0]=4 25879 B13R1.119 CCCCOCNCC1CCOC1 34a_100000737293_100011995733 [0,1,0,1,0,0|2,0,0]=4 25880 B13R1.119 CCCCOCNCC1OCCO1 2230a_100000036311_100011995733 [0,1,0,1,0,0|2,0,0]=4 25881 B13R1.119 CCCCOCNCC1OCCO1 34a_100000036311_100011995733 [0,1,0,1,0,0|2,0,0]=4 25882 B13R1.119 CCCCOCNC[C@@H]1CCCO1 2230a_100020590478_100011995733 [0,1,0,1,0,0|1,0,0]=3 25883 B13R1.119 CCCCOCNC[C@@H]1CCCO1 34a_100020590478_100011995733 [0,1,0,1,0,0|1,0,0]=3 25884 B13R1.119 CCCCOCOCC1CCCC1 34a_100000742336_100011995733 [0,1,0,1,0,0|2,0,0]=4 25885 B13R1.119 CCCCOCOCC1CCCO1 34a_100000210270_100011995733 [0,1,0,1,0,0|1,0,0]=3 25886 B13R1.119 CCCCOCOCC1CCOC1 34a_100000740260_100011995733 [0,1,0,1,0,0|2,0,0]=4 25887 B13R1.119 CCCCOCOCC1COCO1 34a_100011216627_100011995733 [0,1,0,1,0,0|2,0,0]=4 25888 B13R1.119 CCCCOCOCC1OCCO1 34a_100000087154_100011995733 [0,1,0,1,0,0|2,0,0]=4 25889 B13R1.119 CCCCOCOC[C@H]1CCCN1 34a_100000745186_100011995733 [0,1,0,1,0,0|2,0,0]=4 25890 B13R1.119 CCCCOCSCC1CCCC1 62a_100000740388_100011995733 [0,1,0,1,0,0|2,0,0]=4 25891 B13R1.119 CCCCOCSCC1CCCC1 62a_100011995733_100000740388 [0,1,0,1,0,0|2,0,0]=4 25892 B13R1.119 CCCCOCSCC1CCCO1 62a_100000203698_100011995733 [0,1,0,1,0,0|1,0,0]=3 25893 B13R1.119 CCCCOCSCC1CCCO1 62a_100011995733_100000203698 [0,1,0,1,0,0|1,0,0]=3 25894 B13R1.119 CCCCOCSCC1CCOC1 62a_100000702531_100011995733 [0,1,0,1,0,0|2,0,0]=4 25895 B13R1.119 CCCCOCSCC1CCOC1 62a_100011995733_100000702531 [0,1,0,1,0,0|2,0,0]=4 25896 B13R1.119 CCCCOCSCC1OCCO1 62a_100000755774_100011995733 [0,1,0,1,0,0|2,0,0]=4 25897 B13R1.119 CCCCOCSCC1OCCO1 62a_100011995733_100000755774 [0,1,0,1,0,0|2,0,0]=4 25898 B13R1.119 CCCCSCCCC1CCCC1 62a_100000210211_100011713738 [0,1,0,1,0,0|1,0,0]=3 25899 B13R1.119 CCCCSCCCC1CCCC1 62a_100011713738_100000210210 [0,1,0,1,0,0|1,0,0]=3 25900 B13R1.119 CCCCSCCCC1OCCO1 62a_100000210211_100000042513 [0,1,0,1,0,0|1,0,0]=3 25901 B13R1.119 CCCCSCCCN1CCCC1 62a_100000210211_100011445909 [0,1,0,1,0,0|2,0,0]=4 25902 B13R1.119 CCCCSCCCN1CCCC1 62a_100016991639_100000210210 [0,1,0,1,0,0|2,0,0]=4 25903 B13R1.119 CCCCSCCNC1CCCC1 2230a_100025743550_100000179811 [0,1,0,1,0,0|2,0,0]=4 25904 B13R1.119 CCCCSCCNC1CCCC1 270004a_100025743550_100000210133 [0,1,0,1,0,0|2,0,0]=4 25905 B13R1.119 CCCCSCCNC1CCOC1 2230a_100025743550_100000731011 [0,1,0,1,0,0|2,0,0]=4 25906 B13R1.119 CCCCSCCNC1CCOC1 270004a_100025743550_100000752484 [0,1,0,1,0,0|2,0,0]=4 25907 B13R1.119 CCCCSCCOC1CCCC1 34a_200000230436_100000179811 [0,1,0,1,0,0|2,0,0]=4 25908 B13R1.119 CCCCSCCOC1CCCC1 7a_200000230436_100000179811 [0,1,0,1,0,0|2,0,0]=4 25909 B13R1.119 CCCCSCCOC1CCOC1 34a_200000230436_100000690089 [0,1,0,1,0,0|2,0,0]=4 25910 B13R1.119 CCCCSCCOC1CCOC1 7a_200000230436_100000731011 [0,1,0,1,0,0|2,0,0]=4 25911 B13R1.119 CCCNCCCOC1CCCC1 34a_100000747560_100000210303 [0,1,0,1,0,0|2,0,0]=4 25912 B13R1.119 CCCOCCCCC1OCCO1 34a_100000210258_200009813554 [0,1,0,1,0,0|1,0,0]=3 25913 B13R1.119 CCCOCCCNC1CCCC1 2230a_100011217757_100000179811 [0,1,0,1,0,0|2,0,0]=4 25914 B13R1.119 CCCOCCCNC1CCCC1 270004a_100011217757_100000210133 [0,1,0,1,0,0|2,0,0]=4 25915 B13R1.119 CCCOCCCNC1CCCC1 34a_100011217757_100000179811 [0,1,0,1,0,0|2,0,0]=4 25916 B13R1.119 CCCOCCCNC1CCOC1 2230a_100011217757_100000731011 [0,1,0,1,0,0|2,0,0]=4 25917 B13R1.119 CCCOCCCNC1CCOC1 270004a_100011217757_100000752484 [0,1,0,1,0,0|2,0,0]=4 25918 B13R1.119 CCCOCCCNC1CCOC1 34a_100011217757_100000690089 [0,1,0,1,0,0|2,0,0]=4 25919 B13R1.119 CCCOCCNCC1CCCC1 2230a_100000737975_100011215938 [0,1,0,1,0,0|2,0,0]=4 25920 B13R1.119 CCCOCCNCC1CCCC1 2230a_100161115042_100000740388 [0,1,0,1,0,0|2,0,0]=4 25921 B13R1.119 CCCOCCNCC1CCCC1 269862a_100161115042_100000746403 [0,1,0,1,0,0|2,0,0]=4 25922 B13R1.119 CCCOCCNCC1CCCC1 34a_100000737975_100011215938 [0,1,0,1,0,0|2,0,0]=4 25923 B13R1.119 CCCOCCNCC1CCCC1 34a_100161115042_100000740388 [0,1,0,1,0,0|2,0,0]=4 25924 B13R1.119 CCCOCCNCC1CCCO1 2230a_100161115042_100000203698 [0,1,0,1,0,0|1,0,0]=3 25925 B13R1.119 CCCOCCNCC1CCOC1 2230a_100000737293_100011215938 [0,1,0,1,0,0|2,0,0]=4 25926 B13R1.119 CCCOCCNCC1CCOC1 2230a_100161115042_100000702531 [0,1,0,1,0,0|2,0,0]=4 25927 B13R1.119 CCCOCCNCC1CCOC1 34a_100000737293_100011215938 [0,1,0,1,0,0|2,0,0]=4 25928 B13R1.119 CCCOCCNCC1CCOC1 34a_100161115042_100011261433 [0,1,0,1,0,0|2,0,0]=4 25929 B13R1.119 CCCOCCNCC1OCCO1 2230a_100000036311_100011215938 [0,1,0,1,0,0|2,0,0]=4 25930 B13R1.119 CCCOCCNCC1OCCO1 2230a_100161115042_100000755774 [0,1,0,1,0,0|2,0,0]=4 25931 B13R1.119 CCCOCCNCC1OCCO1 34a_100000036311_100011215938 [0,1,0,1,0,0|2,0,0]=4 25932 B13R1.119 CCCOCCNCC1OCCO1 34a_100161115042_100000755774 [0,1,0,1,0,0|2,0,0]=4 25933 B13R1.119 CCCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215938 [0,1,0,1,0,0|1,0,0]=3 25934 B13R1.119 CCCOCCNC[C@@H]1CCCO1 34a_100020590478_100011215938 [0,1,0,1,0,0|1,0,0]=3 25935 B13R1.119 CCCOCCOCC1CCCC1 34a_100000742336_100011215938 [0,1,0,1,0,0|2,0,0]=4 25936 B13R1.119 CCCOCCOCC1CCCC1 34a_100000752267_100000740388 [0,1,0,1,0,0|2,0,0]=4 25937 B13R1.119 CCCOCCOCC1CCCC1 7a_100000742336_100011215938 [0,1,0,1,0,0|2,0,0]=4 25938 B13R1.119 CCCOCCOCC1CCCC1 7a_100000752267_100000740388 [0,1,0,1,0,0|2,0,0]=4 25939 B13R1.119 CCCOCCOCC1CCCO1 34a_100000210270_100011215938 [0,1,0,1,0,0|1,0,0]=3 25940 B13R1.119 CCCOCCOCC1CCCO1 7a_100000210270_100011215938 [0,1,0,1,0,0|1,0,0]=3 25941 B13R1.119 CCCOCCOCC1CCCO1 7a_100000752267_100000203698 [0,1,0,1,0,0|1,0,0]=3 25942 B13R1.119 CCCOCCOCC1CCOC1 34a_100000740260_100011215938 [0,1,0,1,0,0|2,0,0]=4 25943 B13R1.119 CCCOCCOCC1CCOC1 34a_100000752267_100011261433 [0,1,0,1,0,0|2,0,0]=4 25944 B13R1.119 CCCOCCOCC1CCOC1 7a_100000752267_100000702531 [0,1,0,1,0,0|2,0,0]=4 25945 B13R1.119 CCCOCCOCC1COCO1 34a_100011216627_100011215938 [0,1,0,1,0,0|2,0,0]=4 25946 B13R1.119 CCCOCCOCC1OCCO1 34a_100000087154_100011215938 [0,1,0,1,0,0|2,0,0]=4 25947 B13R1.119 CCCOCCOCC1OCCO1 34a_100000752267_100000755774 [0,1,0,1,0,0|2,0,0]=4 25948 B13R1.119 CCCOCCOCC1OCCO1 7a_100000752267_100000755774 [0,1,0,1,0,0|2,0,0]=4 25949 B13R1.119 CCCOCCOC[C@H]1CCCN1 34a_100000745186_100011215938 [0,1,0,1,0,0|2,0,0]=4 25950 B13R1.119 CCCOCCSCC1CCCC1 62a_100000740388_100011215938 [0,1,0,1,0,0|2,0,0]=4 25951 B13R1.119 CCCOCCSCC1CCCC1 62a_100011215938_100000740388 [0,1,0,1,0,0|2,0,0]=4 25952 B13R1.119 CCCOCCSCC1CCCO1 62a_100000203698_100011215938 [0,1,0,1,0,0|1,0,0]=3 25953 B13R1.119 CCCOCCSCC1CCCO1 62a_100011215938_100000203698 [0,1,0,1,0,0|1,0,0]=3 25954 B13R1.119 CCCOCCSCC1CCOC1 62a_100000702531_100011215938 [0,1,0,1,0,0|2,0,0]=4 25955 B13R1.119 CCCOCCSCC1CCOC1 62a_100011215938_100000702531 [0,1,0,1,0,0|2,0,0]=4 25956 B13R1.119 CCCOCCSCC1OCCO1 62a_100000755774_100011215938 [0,1,0,1,0,0|2,0,0]=4 25957 B13R1.119 CCCOCCSCC1OCCO1 62a_100011215938_100000755774 [0,1,0,1,0,0|2,0,0]=4 25958 B13R1.119 CCCSCCCCC1OCCO1 62a_100000210303_100000034956 [0,1,0,1,0,0|1,0,0]=3 25959 B13R1.119 CCCSCCNCC1CCCC1 2230a_100020603323_100000740388 [0,1,0,1,0,0|2,0,0]=4 25960 B13R1.119 CCCSCCNCC1CCCC1 269862a_100020603323_100000746403 [0,1,0,1,0,0|2,0,0]=4 25961 B13R1.119 CCCSCCNCC1CCCO1 2230a_100020603323_100000203698 [0,1,0,1,0,0|1,0,0]=3 25962 B13R1.119 CCCSCCNCC1CCOC1 2230a_100020603323_100000702531 [0,1,0,1,0,0|2,0,0]=4 25963 B13R1.119 CCCSCCNCC1OCCO1 2230a_100020603323_100000755774 [0,1,0,1,0,0|2,0,0]=4 25964 B13R1.119 CCCSCCOCC1CCCC1 34a_200000230433_100000740388 [0,1,0,1,0,0|2,0,0]=4 25965 B13R1.119 CCCSCCOCC1CCCC1 7a_200000230433_100000740388 [0,1,0,1,0,0|2,0,0]=4 25966 B13R1.119 CCCSCCOCC1CCCO1 7a_200000230433_100000203698 [0,1,0,1,0,0|1,0,0]=3 25967 B13R1.119 CCCSCCOCC1CCOC1 34a_200000230433_100011261433 [0,1,0,1,0,0|2,0,0]=4 25968 B13R1.119 CCCSCCOCC1CCOC1 7a_200000230433_100000702531 [0,1,0,1,0,0|2,0,0]=4 25969 B13R1.119 CCCSCCOCC1OCCO1 34a_200000230433_100000755774 [0,1,0,1,0,0|2,0,0]=4 25970 B13R1.119 CCCSCCOCC1OCCO1 7a_200000230433_100000755774 [0,1,0,1,0,0|2,0,0]=4 25971 B13R1.119 CCOCCCCOC1CCCO1 34a_100011018183_100000210202 [0,1,0,1,0,0|1,0,0]=3 25972 B13R1.119 CCOCCCCOC1CCCO1 7a_100011018183_100000210202 [0,1,0,1,0,0|1,0,0]=3 25973 B13R1.119 CCOCCCNCC1CCCC1 2230a_100000210961_100000740388 [0,1,0,1,0,0|2,0,0]=4 25974 B13R1.119 CCOCCCNCC1CCCC1 2230a_100000737975_100012232248 [0,1,0,1,0,0|2,0,0]=4 25975 B13R1.119 CCOCCCNCC1CCCC1 269862a_100000210961_100000746403 [0,1,0,1,0,0|2,0,0]=4 25976 B13R1.119 CCOCCCNCC1CCCC1 34a_100000210961_100000740388 [0,1,0,1,0,0|2,0,0]=4 25977 B13R1.119 CCOCCCNCC1CCCC1 34a_100000737975_100012232248 [0,1,0,1,0,0|2,0,0]=4 25978 B13R1.119 CCOCCCNCC1CCCO1 2230a_100000210961_100000203698 [0,1,0,1,0,0|1,0,0]=3 25979 B13R1.119 CCOCCCNCC1CCOC1 2230a_100000210961_100000702531 [0,1,0,1,0,0|2,0,0]=4 25980 B13R1.119 CCOCCCNCC1CCOC1 2230a_100000737293_100012232248 [0,1,0,1,0,0|2,0,0]=4 25981 B13R1.119 CCOCCCNCC1CCOC1 34a_100000210961_100011261433 [0,1,0,1,0,0|2,0,0]=4 25982 B13R1.119 CCOCCCNCC1CCOC1 34a_100000737293_100012232248 [0,1,0,1,0,0|2,0,0]=4 25983 B13R1.119 CCOCCCNCC1OCCO1 2230a_100000036311_100012232248 [0,1,0,1,0,0|2,0,0]=4 25984 B13R1.119 CCOCCCNCC1OCCO1 2230a_100000210961_100000755774 [0,1,0,1,0,0|2,0,0]=4 25985 B13R1.119 CCOCCCNCC1OCCO1 34a_100000036311_100012232248 [0,1,0,1,0,0|2,0,0]=4 25986 B13R1.119 CCOCCCNCC1OCCO1 34a_100000210961_100000755774 [0,1,0,1,0,0|2,0,0]=4 25987 B13R1.119 CCOCCCNC[C@@H]1CCCO1 2230a_100020590478_100012232248 [0,1,0,1,0,0|1,0,0]=3 25988 B13R1.119 CCOCCCNC[C@@H]1CCCO1 34a_100020590478_100012232248 [0,1,0,1,0,0|1,0,0]=3 25989 B13R1.119 CCOCCCOCC1CCCC1 34a_100000742336_100012232248 [0,1,0,1,0,0|2,0,0]=4 25990 B13R1.119 CCOCCCOCC1CCCC1 34a_100000757476_100000740388 [0,1,0,1,0,0|2,0,0]=4 25991 B13R1.119 CCOCCCOCC1CCCC1 7a_100000742336_100012232248 [0,1,0,1,0,0|2,0,0]=4 25992 B13R1.119 CCOCCCOCC1CCCC1 7a_100000757476_100000740388 [0,1,0,1,0,0|2,0,0]=4 25993 B13R1.119 CCOCCCOCC1CCCO1 34a_100000210270_100012232248 [0,1,0,1,0,0|1,0,0]=3 25994 B13R1.119 CCOCCCOCC1CCCO1 7a_100000210270_100012232248 [0,1,0,1,0,0|1,0,0]=3 25995 B13R1.119 CCOCCCOCC1CCCO1 7a_100000757476_100000203698 [0,1,0,1,0,0|1,0,0]=3 25996 B13R1.119 CCOCCCOCC1CCOC1 34a_100000740260_100012232248 [0,1,0,1,0,0|2,0,0]=4 25997 B13R1.119 CCOCCCOCC1CCOC1 34a_100000757476_100011261433 [0,1,0,1,0,0|2,0,0]=4 25998 B13R1.119 CCOCCCOCC1CCOC1 7a_100000757476_100000702531 [0,1,0,1,0,0|2,0,0]=4 25999 B13R1.119 CCOCCCOCC1COCO1 34a_100011216627_100012232248 [0,1,0,1,0,0|2,0,0]=4 26000 B13R1.119 CCOCCCOCC1OCCO1 34a_100000087154_100012232248 [0,1,0,1,0,0|2,0,0]=4 26001 B13R1.119 CCOCCCOCC1OCCO1 34a_100000757476_100000755774 [0,1,0,1,0,0|2,0,0]=4 26002 B13R1.119 CCOCCCOCC1OCCO1 7a_100000757476_100000755774 [0,1,0,1,0,0|2,0,0]=4 26003 B13R1.119 CCOCCCOC[C@H]1CCCN1 34a_100000745186_100012232248 [0,1,0,1,0,0|2,0,0]=4 26004 B13R1.119 CCOCCCSCC1CCCC1 62a_100000740388_100012232248 [0,1,0,1,0,0|2,0,0]=4 26005 B13R1.119 CCOCCCSCC1CCCC1 62a_100012232248_100000740388 [0,1,0,1,0,0|2,0,0]=4 26006 B13R1.119 CCOCCCSCC1CCCO1 62a_100000203698_100012232248 [0,1,0,1,0,0|1,0,0]=3 26007 B13R1.119 CCOCCCSCC1CCCO1 62a_100012232248_100000203698 [0,1,0,1,0,0|1,0,0]=3 26008 B13R1.119 CCOCCCSCC1CCOC1 62a_100000702531_100012232248 [0,1,0,1,0,0|2,0,0]=4 26009 B13R1.119 CCOCCCSCC1CCOC1 62a_100012232248_100000702531 [0,1,0,1,0,0|2,0,0]=4 26010 B13R1.119 CCOCCCSCC1OCCO1 62a_100000755774_100012232248 [0,1,0,1,0,0|2,0,0]=4 26011 B13R1.119 CCOCCCSCC1OCCO1 62a_100012232248_100000755774 [0,1,0,1,0,0|2,0,0]=4 26012 B13R1.119 CCOCCNCCC1CCCC1 2230a_100000739158_100011215890 [0,1,0,1,0,0|2,0,0]=4 26013 B13R1.119 CCOCCNCCC1CCCC1 2230a_102516460346_100000760354 [0,1,0,1,0,0|2,0,0]=4 26014 B13R1.119 CCOCCNCCC1CCCC1 34a_100000739158_100000210147 [0,1,0,1,0,0|2,0,0]=4 26015 B13R1.119 CCOCCNCCC1CCCC1 34a_102516460346_100000760354 [0,1,0,1,0,0|2,0,0]=4 26016 B13R1.119 CCOCCNCCC1OCCO1 2230a_100000034215_100011215890 [0,1,0,1,0,0|2,0,0]=4 26017 B13R1.119 CCOCCNCCC1OCCO1 2230a_102516460346_100000740749 [0,1,0,1,0,0|2,0,0]=4 26018 B13R1.119 CCOCCNCCC1OCCO1 34a_100000034215_100000210147 [0,1,0,1,0,0|2,0,0]=4 26019 B13R1.119 CCOCCNCCC1OCCO1 34a_102516460346_100000740749 [0,1,0,1,0,0|2,0,0]=4 26020 B13R1.119 CCOCCOCCC1CCCC1 34a_100000210136_100000760354 [0,1,0,1,0,0|2,0,0]=4 26021 B13R1.119 CCOCCOCCC1CCCC1 34a_100000749090_100000210147 [0,1,0,1,0,0|2,0,0]=4 26022 B13R1.119 CCOCCOCCC1CCCC1 7a_100000210136_100000760354 [0,1,0,1,0,0|2,0,0]=4 26023 B13R1.119 CCOCCOCCC1CCCC1 7a_100000749090_100011215890 [0,1,0,1,0,0|2,0,0]=4 26024 B13R1.119 CCOCCOCCC1CCOC1 34a_100011879284_100000210147 [0,1,0,1,0,0|2,0,0]=4 26025 B13R1.119 CCOCCOCCC1OCCO1 34a_100000210136_100000740749 [0,1,0,1,0,0|2,0,0]=4 26026 B13R1.119 CCOCCOCCC1OCCO1 7a_100000210136_100000740749 [0,1,0,1,0,0|2,0,0]=4 26027 B13R1.119 CCOCCSCCC1CCCC1 62a_100000210147_100000760354 [0,1,0,1,0,0|2,0,0]=4 26028 B13R1.119 CCOCCSCCC1CCCC1 62a_100000760354_100011215890 [0,1,0,1,0,0|2,0,0]=4 26029 B13R1.119 CCOCCSCCC1OCCO1 62a_100000210147_100000740749 [0,1,0,1,0,0|2,0,0]=4 26030 B13R1.119 CCOCSCCCC1CCCC1 62a_100000739092_100011713738 [0,1,0,1,0,0|2,0,0]=4 26031 B13R1.119 CCOCSCCCC1CCCC1 62a_100011713738_100000739092 [0,1,0,1,0,0|2,0,0]=4 26032 B13R1.119 CCOCSCCCC1OCCO1 62a_100000739092_100000042513 [0,1,0,1,0,0|2,0,0]=4 26033 B13R1.119 CCSCCCOCC1CCCC1 34a_100011216438_100000740388 [0,1,0,1,0,0|2,0,0]=4 26034 B13R1.119 CCSCCCOCC1CCCC1 7a_100011216438_100000740388 [0,1,0,1,0,0|2,0,0]=4 26035 B13R1.119 CCSCCCOCC1CCCO1 7a_100011216438_100000203698 [0,1,0,1,0,0|1,0,0]=3 26036 B13R1.119 CCSCCCOCC1CCOC1 34a_100011216438_100011261433 [0,1,0,1,0,0|2,0,0]=4 26037 B13R1.119 CCSCCCOCC1CCOC1 7a_100011216438_100000702531 [0,1,0,1,0,0|2,0,0]=4 26038 B13R1.119 CCSCCCOCC1OCCO1 34a_100011216438_100000755774 [0,1,0,1,0,0|2,0,0]=4 26039 B13R1.119 CCSCCCOCC1OCCO1 7a_100011216438_100000755774 [0,1,0,1,0,0|2,0,0]=4 26040 B13R1.119 CCSCCNCCC1CCCC1 2230a_100000106463_100000760354 [0,1,0,1,0,0|2,0,0]=4 26041 B13R1.119 CCSCCNCCC1CCCC1 2230a_100000739158_100000757381 [0,1,0,1,0,0|2,0,0]=4 26042 B13R1.119 CCSCCNCCC1CCCC1 34a_100000739158_100000757381 [0,1,0,1,0,0|2,0,0]=4 26043 B13R1.119 CCSCCNCCC1OCCO1 2230a_100000034215_100000757381 [0,1,0,1,0,0|2,0,0]=4 26044 B13R1.119 CCSCCNCCC1OCCO1 2230a_100000106463_100000740749 [0,1,0,1,0,0|2,0,0]=4 26045 B13R1.119 CCSCCNCCC1OCCO1 34a_100000034215_100000757381 [0,1,0,1,0,0|2,0,0]=4 26046 B13R1.119 CCSCCOCCC1CCCC1 34a_100000212035_100000760354 [0,1,0,1,0,0|2,0,0]=4 26047 B13R1.119 CCSCCOCCC1CCCC1 34a_100000749090_100000757381 [0,1,0,1,0,0|2,0,0]=4 26048 B13R1.119 CCSCCOCCC1CCCC1 7a_100000212035_100000760354 [0,1,0,1,0,0|2,0,0]=4 26049 B13R1.119 CCSCCOCCC1CCCC1 7a_100000749090_100000757381 [0,1,0,1,0,0|2,0,0]=4 26050 B13R1.119 CCSCCOCCC1CCOC1 34a_100011879284_100000757381 [0,1,0,1,0,0|2,0,0]=4 26051 B13R1.119 CCSCCOCCC1OCCO1 34a_100000212035_100000740749 [0,1,0,1,0,0|2,0,0]=4 26052 B13R1.119 CCSCCOCCC1OCCO1 7a_100000212035_100000740749 [0,1,0,1,0,0|2,0,0]=4 26053 B13R1.119 CCSCCSCCC1CCCC1 62a_100000757381_100000760354 [0,1,0,1,0,0|2,0,0]=4 26054 B13R1.119 CCSCCSCCC1CCCC1 62a_100000760354_100000757381 [0,1,0,1,0,0|2,0,0]=4 26055 B13R1.119 CCSCCSCCC1OCCO1 62a_100000757381_100000740749 [0,1,0,1,0,0|2,0,0]=4 26056 B13R1.119 CNCCCCCOC1CCCC1 34a_100000722520_100000179811 [0,1,0,1,0,0|2,0,0]=4 26057 B13R1.119 CNCCCCCOC1CCOC1 34a_100000722520_100000690089 [0,1,0,1,0,0|2,0,0]=4 26058 B13R1.119 CNCCCOCCC1CCCC1 34a_100000213112_100000760354 [0,1,0,1,0,0|2,0,0]=4 26059 B13R1.119 CNCCCOCCC1OCCO1 34a_100000213112_100000740749 [0,1,0,1,0,0|2,0,0]=4 26060 B13R1.119 COCCCCCCN1CCCC1 2230a_100000188435_100011998445 [0,1,0,1,0,0|1,0,0]=3 26061 B13R1.119 COCCCCCCN1CCCC1 269982a_100000188435_100011998445 [0,1,0,1,0,0|1,0,0]=3 26062 B13R1.119 COCCCCCCN1CCSC1 2230a_100011215254_100011998445 [0,1,0,1,0,0|2,0,0]=4 26063 B13R1.119 COCCCCCCN1CCSC1 269982a_100011215254_100011998445 [0,1,0,1,0,0|2,0,0]=4 26064 B13R1.119 COCCCCCNC1CCCC1 2230a_100000747528_100000179811 [0,1,0,1,0,0|1,0,0]=3 26065 B13R1.119 COCCCCCNC1CCCC1 270004a_100000747528_100000210133 [0,1,0,1,0,0|1,0,0]=3 26066 B13R1.119 COCCCCCNC1CCCC1 34a_100000747528_100000179811 [0,1,0,1,0,0|1,0,0]=3 26067 B13R1.119 COCCCCCNC1CCOC1 2230a_100000747528_100000731011 [0,1,0,1,0,0|2,0,0]=4 26068 B13R1.119 COCCCCCNC1CCOC1 270004a_100000747528_100000752484 [0,1,0,1,0,0|2,0,0]=4 26069 B13R1.119 COCCCCCNC1CCOC1 34a_100000747528_100000690089 [0,1,0,1,0,0|2,0,0]=4 26070 B13R1.119 COCCCCCNC1CCSC1 270004a_100000747528_100000212027 [0,1,0,1,0,0|2,0,0]=4 26071 B13R1.119 COCCCCNCC1CCCC1 2230a_100000737975_100000730899 [0,1,0,1,0,0|1,0,0]=3 26072 B13R1.119 COCCCCNCC1CCCC1 34a_100000737975_100000755781 [0,1,0,1,0,0|1,0,0]=3 26073 B13R1.119 COCCCCNCC1CCOC1 2230a_100000737293_100000730899 [0,1,0,1,0,0|2,0,0]=4 26074 B13R1.119 COCCCCNCC1CCOC1 34a_100000737293_100000755781 [0,1,0,1,0,0|2,0,0]=4 26075 B13R1.119 COCCCCNCC1OCCO1 2230a_100000036311_100000730899 [0,1,0,1,0,0|2,0,0]=4 26076 B13R1.119 COCCCCNCC1OCCO1 34a_100000036311_100000755781 [0,1,0,1,0,0|2,0,0]=4 26077 B13R1.119 COCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000730899 [0,1,0,1,0,0|1,0,0]=3 26078 B13R1.119 COCCCCNC[C@@H]1CCCO1 34a_100020590478_100000755781 [0,1,0,1,0,0|1,0,0]=3 26079 B13R1.119 COCCCCOCC1CCCC1 34a_100000740925_100000740388 [0,1,0,1,0,0|1,0,0]=3 26080 B13R1.119 COCCCCOCC1CCCC1 34a_100000742336_100000755781 [0,1,0,1,0,0|1,0,0]=3 26081 B13R1.119 COCCCCOCC1CCCC1 7a_100000742336_100000730899 [0,1,0,1,0,0|1,0,0]=3 26082 B13R1.119 COCCCCOCC1CCCO1 34a_100000210270_100000755781 [0,1,0,1,0,0|1,0,0]=3 26083 B13R1.119 COCCCCOCC1CCCO1 7a_100000210270_100000730899 [0,1,0,1,0,0|1,0,0]=3 26084 B13R1.119 COCCCCOCC1CCNC1 34a_100000748654_100000755781 [0,1,0,1,0,0|2,0,0]=4 26085 B13R1.119 COCCCCOCC1CCOC1 34a_100000740260_100000755781 [0,1,0,1,0,0|2,0,0]=4 26086 B13R1.119 COCCCCOCC1CCOC1 34a_100000740925_100011261433 [0,1,0,1,0,0|2,0,0]=4 26087 B13R1.119 COCCCCOCC1COCO1 34a_100011216627_100000755781 [0,1,0,1,0,0|2,0,0]=4 26088 B13R1.119 COCCCCOCC1OCCO1 34a_100000087154_100000755781 [0,1,0,1,0,0|2,0,0]=4 26089 B13R1.119 COCCCCOCC1OCCO1 34a_100000740925_100000755774 [0,1,0,1,0,0|2,0,0]=4 26090 B13R1.119 COCCCCOC[C@H]1CCCN1 34a_100000745186_100000755781 [0,1,0,1,0,0|2,0,0]=4 26091 B13R1.119 COCCCCSCC1CCCC1 62a_100000730899_100000740388 [0,1,0,1,0,0|1,0,0]=3 26092 B13R1.119 COCCCCSCC1CCCC1 62a_100000740388_100000730899 [0,1,0,1,0,0|1,0,0]=3 26093 B13R1.119 COCCCCSCC1CCCO1 62a_100000203698_100000730899 [0,1,0,1,0,0|1,0,0]=3 26094 B13R1.119 COCCCCSCC1CCCO1 62a_100000730899_100000203698 [0,1,0,1,0,0|1,0,0]=3 26095 B13R1.119 COCCCCSCC1CCOC1 62a_100000702531_100000730899 [0,1,0,1,0,0|2,0,0]=4 26096 B13R1.119 COCCCCSCC1CCOC1 62a_100000730899_100000702531 [0,1,0,1,0,0|2,0,0]=4 26097 B13R1.119 COCCCCSCC1OCCO1 62a_100000730899_100000755774 [0,1,0,1,0,0|2,0,0]=4 26098 B13R1.119 COCCCCSCC1OCCO1 62a_100000755774_100000730899 [0,1,0,1,0,0|2,0,0]=4 26099 B13R1.119 COCCCNCCC1CCCC1 2230a_100000739158_100000740836 [0,1,0,1,0,0|1,0,0]=3 26100 B13R1.119 COCCCNCCC1CCCC1 34a_100000739158_100000740836 [0,1,0,1,0,0|1,0,0]=3 26101 B13R1.119 COCCCNCCC1CCCC1 34a_100150723488_100000760354 [0,1,0,1,0,0|1,0,0]=3 26102 B13R1.119 COCCCNCCC1OCCO1 2230a_100000034215_100000740836 [0,1,0,1,0,0|2,0,0]=4 26103 B13R1.119 COCCCNCCC1OCCO1 34a_100000034215_100000740836 [0,1,0,1,0,0|2,0,0]=4 26104 B13R1.119 COCCCNCCC1OCCO1 34a_100150723488_100000740749 [0,1,0,1,0,0|2,0,0]=4 26105 B13R1.119 COCCCOCCC1CCCC1 34a_100000740835_100000760354 [0,1,0,1,0,0|1,0,0]=3 26106 B13R1.119 COCCCOCCC1CCCC1 34a_100000749090_100000740836 [0,1,0,1,0,0|1,0,0]=3 26107 B13R1.119 COCCCOCCC1CCCC1 7a_100000749090_100000740836 [0,1,0,1,0,0|1,0,0]=3 26108 B13R1.119 COCCCOCCC1CCNC1 34a_100016987287_100000740836 [0,1,0,1,0,0|2,0,0]=4 26109 B13R1.119 COCCCOCCC1CCOC1 34a_100011879284_100000740836 [0,1,0,1,0,0|2,0,0]=4 26110 B13R1.119 COCCCOCCC1OCCO1 34a_100000740835_100000740749 [0,1,0,1,0,0|2,0,0]=4 26111 B13R1.119 COCCCSCCC1CCCC1 62a_100000709357_100000760354 [0,1,0,1,0,0|1,0,0]=3 26112 B13R1.119 COCCCSCCC1CCCC1 62a_100000760354_100000709357 [0,1,0,1,0,0|1,0,0]=3 26113 B13R1.119 COCCCSCCC1OCCO1 62a_100000709357_100000740749 [0,1,0,1,0,0|2,0,0]=4 26114 B13R1.119 COCCCSCCN1CCCC1 62a_100000700749_100000709357 [0,1,0,1,0,0|2,0,0]=4 26115 B13R1.119 COCCCSCCN1CCCC1 62a_100000709357_100000004467 [0,1,0,1,0,0|2,0,0]=4 26116 B13R1.119 COCCNCCCC1CCCC1 2230a_100000209980_100011713738 [0,1,0,1,0,0|1,0,0]=3 26117 B13R1.119 COCCNCCCC1CCCC1 2230a_100000736752_100011201679 [0,1,0,1,0,0|1,0,0]=3 26118 B13R1.119 COCCNCCCC1CCCC1 34a_100000736752_100011201679 [0,1,0,1,0,0|1,0,0]=3 26119 B13R1.119 COCCNCCCC1OCCO1 2230a_100000209980_100000042513 [0,1,0,1,0,0|2,0,0]=4 26120 B13R1.119 COCCNCCCN1CCCC1 2230a_100000209980_100011445909 [0,1,0,1,0,0|2,0,0]=4 26121 B13R1.119 COCCNCCOC1CCCC1 34a_100000741755_100011201679 [0,1,0,1,0,0|2,0,0]=4 26122 B13R1.119 COCCOCCCC1CCCC1 34a_100000210237_100011713738 [0,1,0,1,0,0|1,0,0]=3 26123 B13R1.119 COCCOCCCC1CCCC1 34a_100011215328_100011201679 [0,1,0,1,0,0|1,0,0]=3 26124 B13R1.119 COCCOCCCC1CCCC1 7a_100011215328_100000233755 [0,1,0,1,0,0|1,0,0]=3 26125 B13R1.119 COCCOCCCC1OCCO1 34a_100000210237_100009861162 [0,1,0,1,0,0|2,0,0]=4 26126 B13R1.119 COCCOCCCC1OCCO1 34a_100009871617_100011201679 [0,1,0,1,0,0|2,0,0]=4 26127 B13R1.119 COCCOCCCC1OCCO1 7a_100009871617_100000233755 [0,1,0,1,0,0|2,0,0]=4 26128 B13R1.119 COCCOCCCN1CCCC1 2230a_100000188435_100011216529 [0,1,0,1,0,0|2,0,0]=4 26129 B13R1.119 COCCOCCCN1CCCC1 269982a_100000188435_100011216529 [0,1,0,1,0,0|2,0,0]=4 26130 B13R1.119 COCCOCCCN1CCCC1 34a_100000210237_100016991639 [0,1,0,1,0,0|2,0,0]=4 26131 B13R1.119 COCCOCCNC1CCCC1 2230a_100000211070_100000695917 [0,1,0,1,0,0|2,0,0]=4 26132 B13R1.119 COCCOCCNC1CCCC1 2230a_100000745349_100000179811 [0,1,0,1,0,0|2,0,0]=4 26133 B13R1.119 COCCOCCNC1CCCC1 270004a_100000745349_100000210133 [0,1,0,1,0,0|2,0,0]=4 26134 B13R1.119 COCCOCCNC1CCCC1 34a_100000211070_100000695917 [0,1,0,1,0,0|2,0,0]=4 26135 B13R1.119 COCCOCCNC1CCCC1 34a_100000745349_100000179811 [0,1,0,1,0,0|2,0,0]=4 26136 B13R1.119 COCCOCCNC1CCCC1 34a_200000200444_100011201679 [0,1,0,1,0,0|2,0,0]=4 26137 B13R1.119 COCCOCCOC1CCCC1 34a_100000210269_100000695917 [0,1,0,1,0,0|2,0,0]=4 26138 B13R1.119 COCCOCCOC1CCCC1 34a_100000738311_100011201679 [0,1,0,1,0,0|2,0,0]=4 26139 B13R1.119 COCCOCCOC1CCCC1 34a_100011215163_100000179811 [0,1,0,1,0,0|2,0,0]=4 26140 B13R1.119 COCCOCCOC1CCCC1 7a_100000210269_100000695917 [0,1,0,1,0,0|2,0,0]=4 26141 B13R1.119 COCCOCCOC1CCCC1 7a_100000738311_100000233755 [0,1,0,1,0,0|2,0,0]=4 26142 B13R1.119 COCCOCCOC1CCCC1 7a_100011215163_100000179811 [0,1,0,1,0,0|2,0,0]=4 26143 B13R1.119 COCCOCCOC1CCCO1 34a_100000085407_100000695917 [0,1,0,1,0,0|2,0,0]=4 26144 B13R1.119 COCCOCCSC1CCCC1 62a_100000695917_100000179811 [0,1,0,1,0,0|2,0,0]=4 26145 B13R1.119 COCCOCCSC1CCCC1 62a_100011217020_100000695917 [0,1,0,1,0,0|2,0,0]=4 26146 B13R1.119 COCCOCNCC1CCCC1 2230a_100000737975_100000231047 [0,1,0,1,0,0|2,0,0]=4 26147 B13R1.119 COCCOCNC[C@@H]1CCCO1 2230a_100020590478_100000231047 [0,1,0,1,0,0|2,0,0]=4 26148 B13R1.119 COCCOCSCC1CCCC1 62a_100000231047_100000740388 [0,1,0,1,0,0|2,0,0]=4 26149 B13R1.119 COCCOCSCC1CCCC1 62a_100000740388_100000231047 [0,1,0,1,0,0|2,0,0]=4 26150 B13R1.119 COCCOCSCC1CCCO1 62a_100000203698_100000231047 [0,1,0,1,0,0|2,0,0]=4 26151 B13R1.119 COCCOCSCC1CCCO1 62a_100000231047_100000203698 [0,1,0,1,0,0|2,0,0]=4 26152 B13R1.119 COCCSCCCC1CCCC1 62a_100000233755_100011713738 [0,1,0,1,0,0|1,0,0]=3 26153 B13R1.119 COCCSCCCC1CCCC1 62a_100011713738_100000233755 [0,1,0,1,0,0|1,0,0]=3 26154 B13R1.119 COCCSCCCC1OCCO1 62a_100000233755_100000042513 [0,1,0,1,0,0|2,0,0]=4 26155 B13R1.119 COCCSCCCN1CCCC1 62a_100000233755_100011445909 [0,1,0,1,0,0|2,0,0]=4 26156 B13R1.119 COCCSCCCN1CCCC1 62a_100016991639_100000233755 [0,1,0,1,0,0|2,0,0]=4 26157 B13R1.119 COCSCCCCC1OCCO1 62a_100000766300_100000034956 [0,1,0,1,0,0|2,0,0]=4 26158 B13R1.119 CSCCCCOCC1CCCC1 34a_100011217163_100000740388 [0,1,0,1,0,0|1,1,0]=4 26159 B13R1.119 CSCCCCOCC1CCCC1 7a_100011217163_100000740388 [0,1,0,1,0,0|1,1,0]=4 26160 B13R1.119 CSCCCCOCC1CCCO1 7a_100011217163_100000203698 [0,1,0,1,0,0|1,0,0]=3 26161 B13R1.119 CSCCCCOCC1CCOC1 34a_100011217163_100011261433 [0,1,0,1,0,0|2,0,0]=4 26162 B13R1.119 CSCCCCOCC1CCOC1 7a_100011217163_100000702531 [0,1,0,1,0,0|2,0,0]=4 26163 B13R1.119 CSCCCCOCC1OCCO1 34a_100011217163_100000755774 [0,1,0,1,0,0|2,0,0]=4 26164 B13R1.119 CSCCCCOCC1OCCO1 7a_100011217163_100000755774 [0,1,0,1,0,0|2,0,0]=4 26165 B13R1.119 CSCCCNCCC1CCCC1 2230a_100000749238_100000760354 [0,1,0,1,0,0|1,1,0]=4 26166 B13R1.119 CSCCCNCCC1OCCO1 2230a_100000749238_100000740749 [0,1,0,1,0,0|2,0,0]=4 26167 B13R1.119 CSCCCOCCC1CCCC1 34a_100000690336_100000760354 [0,1,0,1,0,0|1,1,0]=4 26168 B13R1.119 CSCCCOCCC1CCCC1 7a_100000690336_100000760354 [0,1,0,1,0,0|1,1,0]=4 26169 B13R1.119 CSCCCOCCC1OCCO1 34a_100000690336_100000740749 [0,1,0,1,0,0|2,0,0]=4 26170 B13R1.119 CSCCCOCCC1OCCO1 7a_100000690336_100000740749 [0,1,0,1,0,0|2,0,0]=4 26171 B13R1.119 CSCCNCCCC1CCCC1 2230a_100000736752_100000751147 [0,1,0,1,0,0|1,1,0]=4 26172 B13R1.119 CSCCNCCCC1CCCC1 2230a_100020590264_100011713738 [0,1,0,1,0,0|1,1,0]=4 26173 B13R1.119 CSCCNCCCC1CCCC1 34a_100000736752_100000212216 [0,1,0,1,0,0|1,1,0]=4 26174 B13R1.119 CSCCNCCCC1OCCO1 2230a_100020590264_100000042513 [0,1,0,1,0,0|2,0,0]=4 26175 B13R1.119 CSCCOCCCC1CCCC1 34a_100000230434_100011713738 [0,1,0,1,0,0|1,1,0]=4 26176 B13R1.119 CSCCOCCCC1CCCC1 34a_100011215328_100000212216 [0,1,0,1,0,0|1,1,0]=4 26177 B13R1.119 CSCCOCCCC1CCCC1 7a_100000230434_100011713738 [0,1,0,1,0,0|1,1,0]=4 26178 B13R1.119 CSCCOCCCC1CCCC1 7a_100011215328_100000212216 [0,1,0,1,0,0|1,1,0]=4 26179 B13R1.119 CSCCOCCCC1OCCO1 34a_100000230434_100009861162 [0,1,0,1,0,0|2,0,0]=4 26180 B13R1.119 CSCCOCCCC1OCCO1 34a_100009871617_100000212216 [0,1,0,1,0,0|2,0,0]=4 26181 B13R1.119 CSCCOCCCC1OCCO1 7a_100000230434_100000042513 [0,1,0,1,0,0|2,0,0]=4 26182 B13R1.119 CSCCOCCCC1OCCO1 7a_100009871617_100000212216 [0,1,0,1,0,0|2,0,0]=4 26183 B13R1.119 CSCCSCCCC1CCCC1 62a_100000212216_100011713738 [0,1,0,1,0,0|1,1,0]=4 26184 B13R1.119 CSCCSCCCC1CCCC1 62a_100011713738_100000751147 [0,1,0,1,0,0|1,1,0]=4 26185 B13R1.119 CSCCSCCCC1OCCO1 62a_100000212216_100000042513 [0,1,0,1,0,0|2,0,0]=4 26186 B13R1.119 CSCSCCCCC1OCCO1 62a_100011218213_100000034956 [0,1,0,1,0,0|2,0,0]=4 26187 B13R1.119 ClCCCCCCOC1CCCC1 34a_100000766143_100000179811 [0,1,0,1,0,0|1,0,0]=3 26188 B13R1.119 ClCCCCCCOC1CCCC1 7a_100000766143_100000179811 [0,1,0,1,0,0|1,0,0]=3 26189 B13R1.119 ClCCCCCCOC1CCOC1 34a_100000766143_100000690089 [0,1,0,1,0,0|2,0,0]=4 26190 B13R1.119 ClCCCCCCOC1CCOC1 7a_100000766143_100000731011 [0,1,0,1,0,0|2,0,0]=4 26191 B13R1.119 ClCCCCCOCC1CCCC1 34a_100000746330_100000740388 [0,1,0,1,0,0|1,0,0]=3 26192 B13R1.119 ClCCCCCOCC1CCCC1 7a_100000746330_100000740388 [0,1,0,1,0,0|1,0,0]=3 26193 B13R1.119 ClCCCCCOCC1CCCO1 7a_100000746330_100000203698 [0,1,0,1,0,0|1,0,0]=3 26194 B13R1.119 ClCCCCCOCC1CCOC1 34a_100000746330_100011261433 [0,1,0,1,0,0|2,0,0]=4 26195 B13R1.119 ClCCCCCOCC1CCOC1 7a_100000746330_100000702531 [0,1,0,1,0,0|2,0,0]=4 26196 B13R1.119 ClCCCCCOCC1OCCO1 34a_100000746330_100000755774 [0,1,0,1,0,0|2,0,0]=4 26197 B13R1.119 ClCCCCCOCC1OCCO1 7a_100000746330_100000755774 [0,1,0,1,0,0|2,0,0]=4 26198 B13R1.119 ClCCCCOCCC1CCCC1 34a_100000210776_100000760354 [0,1,0,1,0,0|1,0,0]=3 26199 B13R1.119 ClCCCCOCCC1CCCC1 7a_100000210776_100000760354 [0,1,0,1,0,0|1,0,0]=3 26200 B13R1.119 ClCCCCOCCC1OCCO1 34a_100000210776_100000740749 [0,1,0,1,0,0|2,0,0]=4 26201 B13R1.119 ClCCCCOCCC1OCCO1 7a_100000210776_100000740749 [0,1,0,1,0,0|2,0,0]=4 26202 B13R1.119 ClCCCCOCCN1CCCC1 7a_100000210776_100000004467 [0,1,0,1,0,0|2,0,0]=4 26203 B13R1.119 ClCCCOCCCC1CCCC1 34a_100000230001_100011713738 [0,1,0,1,0,0|1,0,0]=3 26204 B13R1.119 ClCCCOCCCC1OCCO1 34a_100000230001_100009861162 [0,1,0,1,0,0|2,0,0]=4 26205 B13R1.119 ClCCCOCCCN1CCCC1 34a_100000230001_100016991639 [0,1,0,1,0,0|2,0,0]=4 26206 B13R1.119 ClCCOCCOCC1CCCC1 34a_100011215305_100000740388 [0,1,0,1,0,0|2,0,0]=4 26207 B13R1.119 ClCCOCCOCC1CCCC1 7a_100011215305_100000740388 [0,1,0,1,0,0|2,0,0]=4 26208 B13R1.119 ClCCOCCOCC1CCCO1 7a_100011215305_100000203698 [0,1,0,1,0,0|2,0,0]=4 26209 B13R1.119 FCCCCCCNC1CCCC1 2230a_100000211070_100015922095 [0,1,0,1,0,0|1,0,0]=3 26210 B13R1.119 FCCCCCCNC1CCCC1 34a_100000211070_100015922095 [0,1,0,1,0,0|1,0,0]=3 26211 B13R1.119 FCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100015922095 [0,1,0,1,0,0|2,0,0]=4 26212 B13R1.119 FCCCCCCN[C@H]1CCOC1 2230a_100015188467_100015922095 [0,1,0,1,0,0|2,0,0]=4 26213 B13R1.119 FCCCCCCN[C@H]1CCOC1 34a_100015188467_100015922095 [0,1,0,1,0,0|2,0,0]=4 26214 B13R1.119 FCCCCCCOC1CCCC1 34a_100000210269_100015922095 [0,1,0,1,0,0|1,0,0]=3 26215 B13R1.119 FCCCCCCOC1CCCC1 34a_100000732779_100000179811 [0,1,0,1,0,0|1,0,0]=3 26216 B13R1.119 FCCCCCCOC1CCCC1 7a_100000210269_100015922095 [0,1,0,1,0,0|1,0,0]=3 26217 B13R1.119 FCCCCCCOC1CCCC1 7a_100000732779_100000179811 [0,1,0,1,0,0|1,0,0]=3 26218 B13R1.119 FCCCCCCOC1CCCO1 34a_100000085407_100015922095 [0,1,0,1,0,0|1,0,0]=3 26219 B13R1.119 FCCCCCCOC1CCOC1 34a_100000732779_100000690089 [0,1,0,1,0,0|2,0,0]=4 26220 B13R1.119 FCCCCCCOC1CCOC1 7a_100000732779_100000731011 [0,1,0,1,0,0|2,0,0]=4 26221 B13R1.119 FCCCCCCOC1CCSC1 7a_100011232664_100015922095 [0,1,0,1,0,0|2,0,0]=4 26222 B13R1.119 FCCCCCCO[C@H]1CCOC1 34a_100000717292_100015922095 [0,1,0,1,0,0|2,0,0]=4 26223 B13R1.119 FCCCCCCSC1CCCC1 62a_100011217020_100015922095 [0,1,0,1,0,0|1,0,0]=3 26224 B13R1.119 FCCCCCCSC1CCCC1 62a_100015922095_100000179811 [0,1,0,1,0,0|1,0,0]=3 26225 B13R1.119 FCCCCCCSC1CCOC1 62a_100015922095_100000690089 [0,1,0,1,0,0|2,0,0]=4 26226 B13R1.119 FCCCCCNCC1CCCC1 2230a_100000737975_100000729378 [0,1,0,1,0,0|1,0,0]=3 26227 B13R1.119 FCCCCCNCC1CCCC1 34a_100000737975_100000729378 [0,1,0,1,0,0|1,0,0]=3 26228 B13R1.119 FCCCCCNCC1CCOC1 2230a_100000737293_100000729378 [0,1,0,1,0,0|2,0,0]=4 26229 B13R1.119 FCCCCCNCC1CCOC1 34a_100000737293_100000729378 [0,1,0,1,0,0|2,0,0]=4 26230 B13R1.119 FCCCCCNCC1OCCO1 2230a_100000036311_100000729378 [0,1,0,1,0,0|2,0,0]=4 26231 B13R1.119 FCCCCCNCC1OCCO1 34a_100000036311_100000729378 [0,1,0,1,0,0|2,0,0]=4 26232 B13R1.119 FCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729378 [0,1,0,1,0,0|1,0,0]=3 26233 B13R1.119 FCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729378 [0,1,0,1,0,0|1,0,0]=3 26234 B13R1.119 FCCCCCOCC1CCCC1 34a_100000742336_100000729378 [0,1,0,1,0,0|1,0,0]=3 26235 B13R1.119 FCCCCCOCC1CCCC1 7a_100000742336_100000729378 [0,1,0,1,0,0|1,0,0]=3 26236 B13R1.119 FCCCCCOCC1CCCO1 34a_100000210270_100000729378 [0,1,0,1,0,0|1,0,0]=3 26237 B13R1.119 FCCCCCOCC1CCCO1 7a_100000210270_100000729378 [0,1,0,1,0,0|1,0,0]=3 26238 B13R1.119 FCCCCCOCC1CCNC1 34a_100000748654_100000729378 [0,1,0,1,0,0|2,0,0]=4 26239 B13R1.119 FCCCCCOCC1CCOC1 34a_100000740260_100000729378 [0,1,0,1,0,0|2,0,0]=4 26240 B13R1.119 FCCCCCOCC1COCO1 34a_100011216627_100000729378 [0,1,0,1,0,0|2,0,0]=4 26241 B13R1.119 FCCCCCOCC1OCCO1 34a_100000087154_100000729378 [0,1,0,1,0,0|2,0,0]=4 26242 B13R1.119 FCCCCCOC[C@H]1CCCN1 34a_100000745186_100000729378 [0,1,0,1,0,0|2,0,0]=4 26243 B13R1.119 FCCCCCSCC1CCCC1 62a_100000729378_100000740388 [0,1,0,1,0,0|1,0,0]=3 26244 B13R1.119 FCCCCCSCC1CCCC1 62a_100000740388_100000729378 [0,1,0,1,0,0|1,0,0]=3 26245 B13R1.119 FCCCCCSCC1CCCO1 62a_100000203698_100000729378 [0,1,0,1,0,0|1,0,0]=3 26246 B13R1.119 FCCCCCSCC1CCCO1 62a_100000729378_100000203698 [0,1,0,1,0,0|1,0,0]=3 26247 B13R1.119 FCCCCCSCC1CCOC1 62a_100000702531_100000729378 [0,1,0,1,0,0|2,0,0]=4 26248 B13R1.119 FCCCCCSCC1CCOC1 62a_100000729378_100000702531 [0,1,0,1,0,0|2,0,0]=4 26249 B13R1.119 FCCCCCSCC1OCCO1 62a_100000729378_100000755774 [0,1,0,1,0,0|2,0,0]=4 26250 B13R1.119 FCCCCCSCC1OCCO1 62a_100000755774_100000729378 [0,1,0,1,0,0|2,0,0]=4 26251 B13R1.119 FCCCCNCCC1CCCC1 2230a_100000739158_100000729493 [0,1,0,1,0,0|1,0,0]=3 26252 B13R1.119 FCCCCNCCC1CCCC1 34a_100000739158_100000729493 [0,1,0,1,0,0|1,0,0]=3 26253 B13R1.119 FCCCCNCCC1OCCO1 2230a_100000034215_100000729493 [0,1,0,1,0,0|2,0,0]=4 26254 B13R1.119 FCCCCNCCC1OCCO1 34a_100000034215_100000729493 [0,1,0,1,0,0|2,0,0]=4 26255 B13R1.119 FCCCCOCCC1CCCC1 34a_100000749090_100000729493 [0,1,0,1,0,0|1,0,0]=3 26256 B13R1.119 FCCCCOCCC1CCCC1 34a_100011995726_100000760354 [0,1,0,1,0,0|1,0,0]=3 26257 B13R1.119 FCCCCOCCC1CCCC1 7a_100000749090_100000729493 [0,1,0,1,0,0|1,0,0]=3 26258 B13R1.119 FCCCCOCCC1CCCC1 7a_100011995726_100000760354 [0,1,0,1,0,0|1,0,0]=3 26259 B13R1.119 FCCCCOCCC1CCNC1 34a_100016987287_100000729493 [0,1,0,1,0,0|2,0,0]=4 26260 B13R1.119 FCCCCOCCC1CCOC1 34a_100011879284_100000729493 [0,1,0,1,0,0|2,0,0]=4 26261 B13R1.119 FCCCCOCCC1OCCO1 34a_100011995726_100000740749 [0,1,0,1,0,0|2,0,0]=4 26262 B13R1.119 FCCCCOCCC1OCCO1 7a_100011995726_100000740749 [0,1,0,1,0,0|2,0,0]=4 26263 B13R1.119 FCCCCOCCN1CCCC1 7a_100011995726_100000004467 [0,1,0,1,0,0|2,0,0]=4 26264 B13R1.119 FCCCCSCCC1CCCC1 62a_100000729493_100000760354 [0,1,0,1,0,0|1,0,0]=3 26265 B13R1.119 FCCCCSCCC1CCCC1 62a_100000760354_100000729493 [0,1,0,1,0,0|1,0,0]=3 26266 B13R1.119 FCCCCSCCC1OCCO1 62a_100000729493_100000740749 [0,1,0,1,0,0|2,0,0]=4 26267 B13R1.119 FCCCCSCCN1CCCC1 62a_100000700749_100000729493 [0,1,0,1,0,0|2,0,0]=4 26268 B13R1.119 FCCCCSCCN1CCCC1 62a_100000729493_100000004467 [0,1,0,1,0,0|2,0,0]=4 26269 B13R1.119 FCCCNCCCC1CCCC1 2230a_100000736752_100011934791 [0,1,0,1,0,0|1,0,0]=3 26270 B13R1.119 FCCCNCCCC1CCCC1 2230a_100015189416_100011713738 [0,1,0,1,0,0|1,0,0]=3 26271 B13R1.119 FCCCNCCCC1CCCC1 34a_100000736752_100011934791 [0,1,0,1,0,0|1,0,0]=3 26272 B13R1.119 FCCCNCCCC1CCCC1 34a_100015189416_100011713738 [0,1,0,1,0,0|1,0,0]=3 26273 B13R1.119 FCCCNCCCC1OCCO1 2230a_100015189416_100000042513 [0,1,0,1,0,0|2,0,0]=4 26274 B13R1.119 FCCCNCCCC1OCCO1 34a_100015189416_100009861162 [0,1,0,1,0,0|2,0,0]=4 26275 B13R1.119 FCCCNCCCN1CCCC1 2230a_100015189416_100011445909 [0,1,0,1,0,0|2,0,0]=4 26276 B13R1.119 FCCCNCCCN1CCCC1 34a_100015189416_100016991639 [0,1,0,1,0,0|2,0,0]=4 26277 B13R1.119 FCCCNCCOC1CCCC1 34a_100000741755_100011934791 [0,1,0,1,0,0|2,0,0]=4 26278 B13R1.119 FCCCOCCCC1CCCC1 34a_100000759539_100011713738 [0,1,0,1,0,0|1,0,0]=3 26279 B13R1.119 FCCCOCCCC1CCCC1 34a_100011215328_100011934791 [0,1,0,1,0,0|1,0,0]=3 26280 B13R1.119 FCCCOCCCC1CCCC1 7a_100011215328_100011934791 [0,1,0,1,0,0|1,0,0]=3 26281 B13R1.119 FCCCOCCCC1OCCO1 34a_100000759539_100009861162 [0,1,0,1,0,0|2,0,0]=4 26282 B13R1.119 FCCCOCCCC1OCCO1 34a_100009871617_100011934791 [0,1,0,1,0,0|2,0,0]=4 26283 B13R1.119 FCCCOCCCC1OCCO1 7a_100009871617_100011934791 [0,1,0,1,0,0|2,0,0]=4 26284 B13R1.119 FCCCOCCCN1CCCC1 34a_100000759539_100016991639 [0,1,0,1,0,0|2,0,0]=4 26285 B13R1.119 FCCCOCCNC1CCCC1 34a_200000200444_100011934791 [0,1,0,1,0,0|2,0,0]=4 26286 B13R1.119 FCCCOCCOC1CCCC1 34a_100000738311_100011934791 [0,1,0,1,0,0|2,0,0]=4 26287 B13R1.119 FCCCOCCOC1CCCC1 7a_100000738311_100011934791 [0,1,0,1,0,0|2,0,0]=4 26288 B13R1.119 FCCCSCCCC1CCCC1 62a_100011713738_100011934791 [0,1,0,1,0,0|1,0,0]=3 26289 B13R1.119 FCCCSCCCC1CCCC1 62a_100011934791_100011713738 [0,1,0,1,0,0|1,0,0]=3 26290 B13R1.119 FCCCSCCCC1OCCO1 62a_100011934791_100000042513 [0,1,0,1,0,0|2,0,0]=4 26291 B13R1.119 FCCCSCCCN1CCCC1 62a_100011934791_100011445909 [0,1,0,1,0,0|2,0,0]=4 26292 B13R1.119 FCCCSCCCN1CCCC1 62a_100016991639_100011934791 [0,1,0,1,0,0|2,0,0]=4 26293 B13R1.119 FCCNCCCCC1OCCO1 34a_100000724931_200009813554 [0,1,0,1,0,0|2,0,0]=4 26294 B13R1.119 FCCNCCCOC1CCCC1 34a_100000747560_100011217306 [0,1,0,1,0,0|2,0,0]=4 26295 B13R1.119 FCCOCCOCC1CCCC1 34a_200015357709_100000740388 [0,1,0,1,0,0|2,0,0]=4 26296 B13R1.119 FCCOCCOCC1CCCC1 7a_200015357709_100000740388 [0,1,0,1,0,0|2,0,0]=4 26297 B13R1.119 FCCOCCOCC1CCCO1 7a_200015357709_100000203698 [0,1,0,1,0,0|2,0,0]=4 26298 B13R1.119 FCCSCCCCC1OCCO1 62a_100011217306_100000034956 [0,1,0,1,0,0|2,0,0]=4 26299 B13R1.119 FCOCCCCOC1CCCO1 34a_100011018183_100015361967 [0,1,0,1,0,0|2,0,0]=4 26300 B13R1.119 FCOCCCCOC1CCCO1 7a_100011018183_100015361967 [0,1,0,1,0,0|2,0,0]=4 26301 B13R1.119 ICCCCCOCC1CCCC1 34a_200012148887_100000740388 [0,1,0,1,0,0|1,0,0]=3 26302 B13R1.119 ICCCCCOCC1CCCC1 7a_200012148887_100000740388 [0,1,0,1,0,0|1,0,0]=3 26303 B13R1.119 ICCCCCOCC1CCCO1 7a_200012148887_100000203698 [0,1,0,1,0,0|1,0,0]=3 26304 B13R1.119 ICCCCCOCC1CCOC1 34a_200012148887_100011261433 [0,1,0,1,0,0|2,0,0]=4 26305 B13R1.119 ICCCCCOCC1CCOC1 7a_200012148887_100000702531 [0,1,0,1,0,0|2,0,0]=4 26306 B13R1.119 ICCCCCOCC1OCCO1 34a_200012148887_100000755774 [0,1,0,1,0,0|2,0,0]=4 26307 B13R1.119 ICCCCCOCC1OCCO1 7a_200012148887_100000755774 [0,1,0,1,0,0|2,0,0]=4 26308 B13R1.119 ICCCCOCCC1CCCC1 34a_200012148704_100000760354 [0,1,0,1,0,0|1,0,0]=3 26309 B13R1.119 ICCCCOCCC1OCCO1 34a_200012148704_100000740749 [0,1,0,1,0,0|2,0,0]=4 26310 B13R1.119 ICCOCCOCC1CCCC1 34a_100012149058_100000740388 [0,1,0,1,0,0|2,0,0]=4 26311 B13R1.119 ICCOCCOCC1CCCC1 7a_100012149058_100000740388 [0,1,0,1,0,0|2,0,0]=4 26312 B13R1.119 ICCOCCOCC1CCCO1 7a_100012149058_100000203698 [0,1,0,1,0,0|2,0,0]=4 26313 B13R1.119 N#CCCCCCCN1CCCC1 2230a_100000188435_100009813337 [0,1,0,1,0,0|1,0,1]=4 26314 B13R1.119 N#CCCCCCCN1CCCC1 269982a_100000188435_100009813337 [0,1,0,1,0,0|1,0,1]=4 26315 B13R1.119 N#CCCCCCNC1CCCC1 2230a_100000211070_100009813376 [0,1,0,1,0,0|1,0,1]=4 26316 B13R1.119 N#CCCCCCNC1CCCC1 270004a_100000061152_100000210133 [0,1,0,1,0,0|1,0,1]=4 26317 B13R1.119 N#CCCCCCOC1CCCC1 7a_100000210269_100009813376 [0,1,0,1,0,0|1,0,1]=4 26318 B13R1.119 N#CCCCCCSC1CCCC1 62a_100009813376_100000179811 [0,1,0,1,0,0|1,0,1]=4 26319 B13R1.119 N#CCCCCCSC1CCCC1 62a_100011217020_100009813376 [0,1,0,1,0,0|1,0,1]=4 26320 B13R1.119 N#CCCCCNCC1CCCC1 2230a_100000737975_100000211819 [0,1,0,1,0,0|1,0,1]=4 26321 B13R1.119 N#CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000211819 [0,1,0,1,0,0|1,0,1]=4 26322 B13R1.119 N#CCCCCOCC1CCCC1 7a_100000742336_100000211819 [0,1,0,1,0,0|1,0,1]=4 26323 B13R1.119 N#CCCCCOCC1CCCO1 7a_100000210270_100000211819 [0,1,0,1,0,0|1,0,1]=4 26324 B13R1.119 N#CCCCCSCC1CCCC1 62a_100000740388_100000211819 [0,1,0,1,0,0|1,0,1]=4 26325 B13R1.119 N#CCCCCSCC1CCCC1 62a_100011219923_100000740388 [0,1,0,1,0,0|1,0,1]=4 26326 B13R1.119 N#CCCCCSCC1CCCO1 62a_100000203698_100000211819 [0,1,0,1,0,0|1,0,1]=4 26327 B13R1.119 N#CCCCCSCC1CCCO1 62a_100011219923_100000203698 [0,1,0,1,0,0|1,0,1]=4 26328 B13R1.119 N#CCCCNCCC1CCCC1 2230a_100000739158_100000687738 [0,1,0,1,0,0|1,0,1]=4 26329 B13R1.119 N#CCCCOCCC1CCCC1 7a_100000749090_100000687738 [0,1,0,1,0,0|1,0,1]=4 26330 B13R1.119 N#CCCCSCCC1CCCC1 62a_100000687738_100000760354 [0,1,0,1,0,0|1,0,1]=4 26331 B13R1.119 N#CCCCSCCC1CCCC1 62a_100000760354_100000687738 [0,1,0,1,0,0|1,0,1]=4 26332 B13R1.119 N#CCCNCCCC1CCCC1 2230a_100000736752_100011215226 [0,1,0,1,0,0|1,0,1]=4 26333 B13R1.119 N#CCCOCCCC1CCCC1 7a_100011215328_100000184422 [0,1,0,1,0,0|1,0,1]=4 26334 B13R1.119 N#CCCSCCCC1CCCC1 62a_100011215226_100011713738 [0,1,0,1,0,0|1,0,1]=4 26335 B13R1.119 N#CCCSCCCC1CCCC1 62a_100011713738_100011215226 [0,1,0,1,0,0|1,0,1]=4 26336 B13R1.119 NCCCCCCOC1CCCC1 34a_100000686447_100000179811 [0,1,0,1,0,0|1,0,0]=3 26337 B13R1.119 NCCCCCCOC1CCOC1 34a_100000686447_100000690089 [0,1,0,1,0,0|2,0,0]=4 26338 B13R1.119 NCCCCCOCC1CCCC1 34a_100000762737_100000740388 [0,1,0,1,0,0|1,0,0]=3 26339 B13R1.119 NCCCCCOCC1CCOC1 34a_100000762737_100011261433 [0,1,0,1,0,0|2,0,0]=4 26340 B13R1.119 NCCCCCOCC1OCCO1 34a_100000762737_100000755774 [0,1,0,1,0,0|2,0,0]=4 26341 B13R1.119 NCCCCOCCC1CCCC1 34a_100000750430_100000760354 [0,1,0,1,0,0|1,0,0]=3 26342 B13R1.119 NCCCCOCCC1OCCO1 34a_100000750430_100000740749 [0,1,0,1,0,0|2,0,0]=4 26343 B13R1.119 NCCCOCCCC1CCCC1 34a_100000182051_100011713738 [0,1,0,1,0,0|1,0,0]=3 26344 B13R1.119 NCCCOCCCC1OCCO1 34a_100000182051_100009861162 [0,1,0,1,0,0|2,0,0]=4 26345 B13R1.119 NCCCOCCCN1CCCC1 34a_100000182051_100016991639 [0,1,0,1,0,0|2,0,0]=4 26346 B13R1.119 NCCOCCCCC1OCCO1 34a_100000210304_200009813554 [0,1,0,1,0,0|2,0,0]=4 26347 B13R1.119 NCCOCCOCC1CCCC1 34a_100000211614_100000740388 [0,1,0,1,0,0|2,0,0]=4 26348 B13R1.119 NOCCOCCCC1CCCC1 34a_100000700252_100011713738 [0,1,0,1,0,0|1,0,0]=3 26349 B13R1.119 NOCCOCCCN1CCCC1 34a_100000700252_100016991639 [0,1,0,1,0,0|2,0,0]=4 26350 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [0,1,0,1,0,0|0,0,2]=4 26351 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [0,1,0,1,0,0|0,0,2]=4 26352 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [0,1,0,1,0,0|0,0,2]=4 26353 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [0,1,0,1,0,0|0,0,2]=4 26354 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [0,1,0,1,0,0|0,0,2]=4 26355 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [0,1,0,1,0,0|1,0,1]=4 26356 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [0,1,0,1,0,0|0,0,2]=4 26357 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [0,1,0,1,0,0|1,0,1]=4 26358 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [0,1,0,1,0,0|0,0,2]=4 26359 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [0,1,0,1,0,0|0,0,2]=4 26360 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [0,1,0,1,0,0|1,0,1]=4 26361 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [0,1,0,1,0,0|1,0,1]=4 26362 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [0,1,0,1,0,0|0,0,2]=4 26363 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [0,1,0,1,0,0|0,0,2]=4 26364 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [0,1,0,1,0,0|0,0,2]=4 26365 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [0,1,0,1,0,0|0,0,2]=4 26366 B13R1.119 OCC#CCNCCC1CCCC1 2230a_100000739158_200000047223 [0,1,0,1,0,0|0,0,2]=4 26367 B13R1.119 OCC#CCNCCC1CCCC1 34a_100000739158_200000047223 [0,1,0,1,0,0|0,0,2]=4 26368 B13R1.119 OCC#CCOCCC1CCCC1 34a_100000749090_200000047223 [0,1,0,1,0,0|0,0,2]=4 26369 B13R1.119 OCC#CCOCCC1CCCC1 7a_100000749090_200000047223 [0,1,0,1,0,0|0,0,2]=4 26370 B13R1.119 OCC#CCSCCC1CCCC1 62a_100000760354_200000047223 [0,1,0,1,0,0|0,0,2]=4 26371 B13R1.119 OCC#CCSCCC1CCCC1 62a_200000047223_100000760354 [0,1,0,1,0,0|0,0,2]=4 26372 B13R1.119 OCCCCC=NNC1CCCC1 4a_100000737850_100000031955 [0,1,0,1,0,0|1,0,1]=4 26373 B13R1.119 OCCCCCCCN1CC=CC1 269982a_100015195280_100000760002 [0,1,0,1,0,0|0,0,2]=4 26374 B13R1.119 OCCCCCCCN1CCCC1 2230a_100000188435_100000760002 [0,1,0,1,0,0|0,0,0]=2 26375 B13R1.119 OCCCCCCCN1CCCC1 269982a_100000188435_100000760002 [0,1,0,1,0,0|0,0,0]=2 26376 B13R1.119 OCCCCCCCN1CCSC1 2230a_100011215254_100000760002 [0,1,0,1,0,0|1,0,0]=3 26377 B13R1.119 OCCCCCCCN1CCSC1 269982a_100011215254_100000760002 [0,1,0,1,0,0|1,0,0]=3 26378 B13R1.119 OCCCCCCNC1CC=CC1 2230a_100015188752_100000766143 [0,1,0,1,0,0|0,0,2]=4 26379 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000211070_100000766143 [0,1,0,1,0,0|0,0,0]=2 26380 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000686447_100000179811 [0,1,0,1,0,0|0,0,0]=2 26381 B13R1.119 OCCCCCCNC1CCCC1 270004a_100000686447_100000210133 [0,1,0,1,0,0|0,0,0]=2 26382 B13R1.119 OCCCCCCNC1CCCC1 34a_100000211070_100000766143 [0,1,0,1,0,0|0,0,0]=2 26383 B13R1.119 OCCCCCCNC1CCCC1 34a_100000686447_100000179811 [0,1,0,1,0,0|0,0,0]=2 26384 B13R1.119 OCCCCCCNC1CCOC1 2230a_100000686447_100000731011 [0,1,0,1,0,0|1,0,0]=3 26385 B13R1.119 OCCCCCCNC1CCOC1 270004a_100000686447_100000752484 [0,1,0,1,0,0|1,0,0]=3 26386 B13R1.119 OCCCCCCNC1CCOC1 34a_100000686447_100000690089 [0,1,0,1,0,0|1,0,0]=3 26387 B13R1.119 OCCCCCCNC1CCSC1 270004a_100000686447_100000212027 [0,1,0,1,0,0|1,0,0]=3 26388 B13R1.119 OCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000766143 [0,1,0,1,0,0|1,0,0]=3 26389 B13R1.119 OCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000766143 [0,1,0,1,0,0|1,0,0]=3 26390 B13R1.119 OCCCCCCN[C@H]1CCOC1 34a_100015188467_100000766143 [0,1,0,1,0,0|1,0,0]=3 26391 B13R1.119 OCCCCCCOC1CCCC1 34a_100000210269_100000766143 [0,1,0,1,0,0|0,0,0]=2 26392 B13R1.119 OCCCCCCOC1CCCC1 7a_100000210269_100000766143 [0,1,0,1,0,0|0,0,0]=2 26393 B13R1.119 OCCCCCCOC1CCCO1 34a_100000085407_100000766143 [0,1,0,1,0,0|1,0,0]=3 26394 B13R1.119 OCCCCCCOC1CCSC1 7a_100011232664_100000766143 [0,1,0,1,0,0|1,0,0]=3 26395 B13R1.119 OCCCCCCO[C@H]1CCOC1 34a_100000717292_100000766143 [0,1,0,1,0,0|1,0,0]=3 26396 B13R1.119 OCCCCCCSC1CCCC1 62a_100000766143_100000179811 [0,1,0,1,0,0|0,0,0]=2 26397 B13R1.119 OCCCCCCSC1CCCC1 62a_100011217020_100000766143 [0,1,0,1,0,0|0,0,0]=2 26398 B13R1.119 OCCCCCCSC1CCOC1 62a_100000766143_100000690089 [0,1,0,1,0,0|1,0,0]=3 26399 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000737975_100000746330 [0,1,0,1,0,0|0,0,0]=2 26400 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000762737_100000740388 [0,1,0,1,0,0|0,0,0]=2 26401 B13R1.119 OCCCCCNCC1CCCC1 269862a_100000762737_100000746403 [0,1,0,1,0,0|0,0,0]=2 26402 B13R1.119 OCCCCCNCC1CCCC1 34a_100000737975_100000746330 [0,1,0,1,0,0|0,0,0]=2 26403 B13R1.119 OCCCCCNCC1CCCC1 34a_100000762737_100000740388 [0,1,0,1,0,0|0,0,0]=2 26404 B13R1.119 OCCCCCNCC1CCCO1 2230a_100000762737_100000203698 [0,1,0,1,0,0|1,0,0]=3 26405 B13R1.119 OCCCCCNCC1CCOC1 2230a_100000737293_100000746330 [0,1,0,1,0,0|1,0,0]=3 26406 B13R1.119 OCCCCCNCC1CCOC1 2230a_100000762737_100000702531 [0,1,0,1,0,0|1,0,0]=3 26407 B13R1.119 OCCCCCNCC1CCOC1 34a_100000737293_100000746330 [0,1,0,1,0,0|1,0,0]=3 26408 B13R1.119 OCCCCCNCC1CCOC1 34a_100000762737_100011261433 [0,1,0,1,0,0|1,0,0]=3 26409 B13R1.119 OCCCCCNCC1OCCO1 2230a_100000036311_100000746330 [0,1,0,1,0,0|2,0,0]=4 26410 B13R1.119 OCCCCCNCC1OCCO1 2230a_100000762737_100000755774 [0,1,0,1,0,0|2,0,0]=4 26411 B13R1.119 OCCCCCNCC1OCCO1 34a_100000036311_100000746330 [0,1,0,1,0,0|2,0,0]=4 26412 B13R1.119 OCCCCCNCC1OCCO1 34a_100000762737_100000755774 [0,1,0,1,0,0|2,0,0]=4 26413 B13R1.119 OCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000746330 [0,1,0,1,0,0|1,0,0]=3 26414 B13R1.119 OCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000746330 [0,1,0,1,0,0|1,0,0]=3 26415 B13R1.119 OCCCCCOCC1CC=CC1 34a_100000688395_100000746330 [0,1,0,1,0,0|0,0,2]=4 26416 B13R1.119 OCCCCCOCC1CCCC1 34a_100000742336_100000746330 [0,1,0,1,0,0|0,0,0]=2 26417 B13R1.119 OCCCCCOCC1CCCC1 7a_100000742336_100000746330 [0,1,0,1,0,0|0,0,0]=2 26418 B13R1.119 OCCCCCOCC1CCCO1 34a_100000210270_100000746330 [0,1,0,1,0,0|1,0,0]=3 26419 B13R1.119 OCCCCCOCC1CCCO1 7a_100000210270_100000746330 [0,1,0,1,0,0|1,0,0]=3 26420 B13R1.119 OCCCCCOCC1CCNC1 34a_100000748654_100000746330 [0,1,0,1,0,0|1,0,0]=3 26421 B13R1.119 OCCCCCOCC1CCOC1 34a_100000740260_100000746330 [0,1,0,1,0,0|1,0,0]=3 26422 B13R1.119 OCCCCCOCC1COCO1 34a_100011216627_100000746330 [0,1,0,1,0,0|2,0,0]=4 26423 B13R1.119 OCCCCCOCC1OCCO1 34a_100000087154_100000746330 [0,1,0,1,0,0|2,0,0]=4 26424 B13R1.119 OCCCCCOC[C@H]1CCCN1 34a_100000745186_100000746330 [0,1,0,1,0,0|1,0,0]=3 26425 B13R1.119 OCCCCCSCC1CCCC1 62a_100000740388_100000746330 [0,1,0,1,0,0|0,0,0]=2 26426 B13R1.119 OCCCCCSCC1CCCC1 62a_100000746330_100000740388 [0,1,0,1,0,0|0,0,0]=2 26427 B13R1.119 OCCCCCSCC1CCCO1 62a_100000203698_100000746330 [0,1,0,1,0,0|1,0,0]=3 26428 B13R1.119 OCCCCCSCC1CCCO1 62a_100000746330_100000203698 [0,1,0,1,0,0|1,0,0]=3 26429 B13R1.119 OCCCCCSCC1CCOC1 62a_100000702531_100000746330 [0,1,0,1,0,0|1,0,0]=3 26430 B13R1.119 OCCCCCSCC1CCOC1 62a_100000746330_100000702531 [0,1,0,1,0,0|1,0,0]=3 26431 B13R1.119 OCCCCCSCC1OCCO1 62a_100000746330_100000755774 [0,1,0,1,0,0|2,0,0]=4 26432 B13R1.119 OCCCCCSCC1OCCO1 62a_100000755774_100000746330 [0,1,0,1,0,0|2,0,0]=4 26433 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000739158_100000210776 [0,1,0,1,0,0|0,0,0]=2 26434 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000750430_100000760354 [0,1,0,1,0,0|0,0,0]=2 26435 B13R1.119 OCCCCNCCC1CCCC1 34a_100000739158_100011216708 [0,1,0,1,0,0|0,0,0]=2 26436 B13R1.119 OCCCCNCCC1CCCC1 34a_100000750430_100000760354 [0,1,0,1,0,0|0,0,0]=2 26437 B13R1.119 OCCCCNCCC1OCCO1 2230a_100000034215_100000210776 [0,1,0,1,0,0|2,0,0]=4 26438 B13R1.119 OCCCCNCCC1OCCO1 2230a_100000750430_100000740749 [0,1,0,1,0,0|2,0,0]=4 26439 B13R1.119 OCCCCNCCC1OCCO1 34a_100000034215_100011216708 [0,1,0,1,0,0|2,0,0]=4 26440 B13R1.119 OCCCCNCCC1OCCO1 34a_100000750430_100000740749 [0,1,0,1,0,0|2,0,0]=4 26441 B13R1.119 OCCCCOCCC1CCCC1 34a_100000749090_100011216708 [0,1,0,1,0,0|0,0,0]=2 26442 B13R1.119 OCCCCOCCC1CCCC1 7a_100000749090_100000210776 [0,1,0,1,0,0|0,0,0]=2 26443 B13R1.119 OCCCCOCCC1CCNC1 34a_100016987287_100011216708 [0,1,0,1,0,0|1,0,0]=3 26444 B13R1.119 OCCCCOCCC1CCOC1 34a_100011879284_100011216708 [0,1,0,1,0,0|1,0,0]=3 26445 B13R1.119 OCCCCSCCC1CCCC1 62a_100000210776_100000760354 [0,1,0,1,0,0|0,0,0]=2 26446 B13R1.119 OCCCCSCCC1CCCC1 62a_100000760354_100000210776 [0,1,0,1,0,0|0,0,0]=2 26447 B13R1.119 OCCCCSCCC1OCCO1 62a_100000210776_100000740749 [0,1,0,1,0,0|2,0,0]=4 26448 B13R1.119 OCCCCSCCN1CCCC1 62a_100000210776_100000004467 [0,1,0,1,0,0|1,0,0]=3 26449 B13R1.119 OCCCCSCCN1CCCC1 62a_100000700749_100000210776 [0,1,0,1,0,0|1,0,0]=3 26450 B13R1.119 OCCCNCCCC1CCCC1 2230a_100000736752_100000230001 [0,1,0,1,0,0|0,0,0]=2 26451 B13R1.119 OCCCNCCCC1CCCC1 34a_100000736752_100000230001 [0,1,0,1,0,0|0,0,0]=2 26452 B13R1.119 OCCCNCCOC1CCCC1 34a_100000741755_100000230001 [0,1,0,1,0,0|1,0,0]=3 26453 B13R1.119 OCCCOCCCC1CCCC1 34a_100011215328_100000230001 [0,1,0,1,0,0|0,0,0]=2 26454 B13R1.119 OCCCOCCCC1CCCC1 7a_100011215328_100011215043 [0,1,0,1,0,0|0,0,0]=2 26455 B13R1.119 OCCCOCCCC1OCCO1 34a_100009871617_100000230001 [0,1,0,1,0,0|2,0,0]=4 26456 B13R1.119 OCCCOCCCC1OCCO1 7a_100009871617_100011215043 [0,1,0,1,0,0|2,0,0]=4 26457 B13R1.119 OCCCOCCNC1CCCC1 34a_200000200444_100000230001 [0,1,0,1,0,0|1,0,0]=3 26458 B13R1.119 OCCCOCCOC1CCCC1 34a_100000738311_100000230001 [0,1,0,1,0,0|1,0,0]=3 26459 B13R1.119 OCCCOCCOC1CCCC1 7a_100000738311_100011215043 [0,1,0,1,0,0|1,0,0]=3 26460 B13R1.119 OCCCSCCCC1CCCC1 62a_100011215043_100011713738 [0,1,0,1,0,0|0,0,0]=2 26461 B13R1.119 OCCCSCCCC1CCCC1 62a_100011713738_100011215043 [0,1,0,1,0,0|0,0,0]=2 26462 B13R1.119 OCCCSCCCC1OCCO1 62a_100011215043_100000042513 [0,1,0,1,0,0|2,0,0]=4 26463 B13R1.119 OCCCSCCCN1CCCC1 62a_100011215043_100011445909 [0,1,0,1,0,0|1,0,0]=3 26464 B13R1.119 OCCCSCCCN1CCCC1 62a_100016991639_100011215043 [0,1,0,1,0,0|1,0,0]=3 26465 B13R1.119 OCCNCCCCC1OCCO1 2230a_100016997473_100000034956 [0,1,0,1,0,0|2,0,0]=4 26466 B13R1.119 OCCNCCCCC1OCCO1 34a_100016990907_200009813554 [0,1,0,1,0,0|2,0,0]=4 26467 B13R1.119 OCCNCCCOC1CCCC1 34a_100000747560_100000211926 [0,1,0,1,0,0|1,0,0]=3 26468 B13R1.119 OCCNN=CCCC1CCCC1 4a_100000210001_100011713431 [0,1,0,1,0,0|1,0,1]=4 26469 B13R1.119 OCCOCCNCC1CCCC1 2230a_100000211614_100000740388 [0,1,0,1,0,0|1,0,0]=3 26470 B13R1.119 OCCOCCNCC1CCCC1 2230a_100000737975_100011215305 [0,1,0,1,0,0|1,0,0]=3 26471 B13R1.119 OCCOCCNCC1CCCC1 269862a_100000211614_100000746403 [0,1,0,1,0,0|1,0,0]=3 26472 B13R1.119 OCCOCCNCC1CCCC1 34a_100000211614_100000740388 [0,1,0,1,0,0|1,0,0]=3 26473 B13R1.119 OCCOCCNCC1CCCC1 34a_100000737975_100000692535 [0,1,0,1,0,0|1,0,0]=3 26474 B13R1.119 OCCOCCNCC1CCCO1 2230a_100000211614_100000203698 [0,1,0,1,0,0|2,0,0]=4 26475 B13R1.119 OCCOCCNCC1CCOC1 2230a_100000211614_100000702531 [0,1,0,1,0,0|2,0,0]=4 26476 B13R1.119 OCCOCCNCC1CCOC1 2230a_100000737293_100011215305 [0,1,0,1,0,0|2,0,0]=4 26477 B13R1.119 OCCOCCNCC1CCOC1 34a_100000211614_100011261433 [0,1,0,1,0,0|2,0,0]=4 26478 B13R1.119 OCCOCCNCC1CCOC1 34a_100000737293_100000692535 [0,1,0,1,0,0|2,0,0]=4 26479 B13R1.119 OCCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215305 [0,1,0,1,0,0|2,0,0]=4 26480 B13R1.119 OCCOCCNC[C@@H]1CCCO1 34a_100020590478_100000692535 [0,1,0,1,0,0|2,0,0]=4 26481 B13R1.119 OCCOCCOCC1CCCC1 34a_100000742336_100000692535 [0,1,0,1,0,0|1,0,0]=3 26482 B13R1.119 OCCOCCOCC1CCCC1 7a_100000742336_100011215305 [0,1,0,1,0,0|1,0,0]=3 26483 B13R1.119 OCCOCCOCC1CCCO1 34a_100000210270_100000692535 [0,1,0,1,0,0|2,0,0]=4 26484 B13R1.119 OCCOCCOCC1CCCO1 7a_100000210270_100011215305 [0,1,0,1,0,0|2,0,0]=4 26485 B13R1.119 OCCOCCOCC1CCNC1 34a_100000748654_100000692535 [0,1,0,1,0,0|2,0,0]=4 26486 B13R1.119 OCCOCCOCC1CCOC1 34a_100000740260_100000692535 [0,1,0,1,0,0|2,0,0]=4 26487 B13R1.119 OCCOCCOC[C@H]1CCCN1 34a_100000745186_100000692535 [0,1,0,1,0,0|2,0,0]=4 26488 B13R1.119 OCCOCCSCC1CCCC1 62a_100000740388_100011215305 [0,1,0,1,0,0|1,0,0]=3 26489 B13R1.119 OCCOCCSCC1CCCC1 62a_100011215305_100000740388 [0,1,0,1,0,0|1,0,0]=3 26490 B13R1.119 OCCOCCSCC1CCCO1 62a_100000203698_100011215305 [0,1,0,1,0,0|2,0,0]=4 26491 B13R1.119 OCCOCCSCC1CCCO1 62a_100011215305_100000203698 [0,1,0,1,0,0|2,0,0]=4 26492 B13R1.119 OCCOCCSCC1CCOC1 62a_100000702531_100011215305 [0,1,0,1,0,0|2,0,0]=4 26493 B13R1.119 OCCOCCSCC1CCOC1 62a_100011215305_100000702531 [0,1,0,1,0,0|2,0,0]=4 26494 B13R1.119 OCCSCCCCC1OCCO1 62a_100000211926_100000034956 [0,1,0,1,0,0|2,0,0]=4 26495 B13R1.119 OCCSCCNCC1CCCC1 2230a_100011219999_100000740388 [0,1,0,1,0,0|1,0,0]=3 26496 B13R1.119 OCCSCCNCC1CCCC1 269862a_100011219999_100000746403 [0,1,0,1,0,0|1,0,0]=3 26497 B13R1.119 OCCSCCNCC1CCCO1 2230a_100011219999_100000203698 [0,1,0,1,0,0|2,0,0]=4 26498 B13R1.119 OCCSCCNCC1CCOC1 2230a_100011219999_100000702531 [0,1,0,1,0,0|2,0,0]=4 26499 B13R1.208 CCCC1CCCC1N(C)CCC 270004a_100000747261_100000723119 [0,1,0,1,0,0|2,0,0]=4 26500 B13R1.208 CCCC1CCCC1N(C)CCO 270004a_100000210263_100000723119 [0,1,0,1,0,0|1,0,0]=3 26501 B13R1.208 COC[C@@H]1CCCN1C(C)CCO 2230a_100020646714_100009893172 [0,1,0,1,0,0|2,0,0]=4 26502 B13R1.208 COC[C@@H]1CCCN1C(C)CCO 269982a_100020646714_100009893172 [0,1,0,1,0,0|2,0,0]=4 26503 B13R1.208 COC[C@@H]1CCCN1C(C)CCO 34a_100020646714_100009893172 [0,1,0,1,0,0|2,0,0]=4 26504 B13R1.362 C=C1CC(C1)CNCCCCCO 2230a_100102567296_100000746330 [0,1,0,1,0,0|1,0,1]=4 26505 B13R1.362 C=C1CC(C1)CNCCCCCO 34a_100102567296_100000746330 [0,1,0,1,0,0|1,0,1]=4 26506 B13R1.362 C=C1CC(C1)COCCCCCO 34a_100011011225_100000746330 [0,1,0,1,0,0|1,0,1]=4 26507 B13R1.362 C=C1CC(C1)NCCCCCCO 2230a_100132301982_100000766143 [0,1,0,1,0,0|1,0,1]=4 26508 B13R1.362 CC1CN(C1)CCCCCCCO 2230a_100000702820_100000760002 [0,1,0,1,0,0|1,0,0]=3 26509 B13R1.362 CC1CN(C1)CCCCCCCO 269982a_100000702820_100000760002 [0,1,0,1,0,0|1,0,0]=3 26510 B13R1.362 CC1CN(C1)CCCCCCCO 34a_100000702820_100000760002 [0,1,0,1,0,0|1,0,0]=3 26511 B13R1.362 CCCCCCCCN1CC(C1)C 2230a_100000702820_100000210759 [0,1,0,1,0,0|2,0,0]=4 26512 B13R1.362 CCCCCCCCN1CC(C1)C 269982a_100000702820_100000210759 [0,1,0,1,0,0|2,0,0]=4 26513 B13R1.362 CCCCCCCCN1CC(C1)C 34a_100000702820_100000210759 [0,1,0,1,0,0|2,0,0]=4 26514 B13R1.362 CCCCCCCCN1CC(C1)F 2230a_100000690557_100000210759 [0,1,0,1,0,0|2,0,0]=4 26515 B13R1.362 CCCCCCCCN1CC(C1)F 269982a_100000690557_100000210759 [0,1,0,1,0,0|2,0,0]=4 26516 B13R1.362 CCCCCCCCN1CC(C1)F 34a_100000690557_100000210759 [0,1,0,1,0,0|2,0,0]=4 26517 B13R1.362 CCCCCCCCN1CC(C1)O 269982a_100000749847_100000210759 [0,1,0,1,0,0|1,0,0]=3 26518 B13R1.362 CCCCCCCNC1CC(C1)F 2230a_100016993743_100000210681 [0,1,0,1,0,0|2,0,0]=4 26519 B13R1.362 CCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210681 [0,1,0,1,0,0|1,0,0]=3 26520 B13R1.362 CCCCCCNCC1CC(C1)O 2230a_100016992100_100000210314 [0,1,0,1,0,0|1,0,0]=3 26521 B13R1.362 CCCCCCOCC1CC(C1)Cl 34a_100009874164_100000210314 [0,1,0,1,0,0|2,0,0]=4 26522 B13R1.362 CCCCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000743108 [0,1,0,1,0,0|2,0,0]=4 26523 B13R1.362 CCCCOCNCC1CC(C1)O 2230a_100016992100_100011995733 [0,1,0,1,0,0|2,0,0]=4 26524 B13R1.362 CCCOCCNCC1CC(C1)O 2230a_100016992100_100011215938 [0,1,0,1,0,0|2,0,0]=4 26525 B13R1.362 CCOCCCNCC1CC(C1)O 2230a_100016992100_100012232248 [0,1,0,1,0,0|2,0,0]=4 26526 B13R1.362 COCCCCCCN1CC(C1)O 269982a_100000749847_100011998445 [0,1,0,1,0,0|2,0,0]=4 26527 B13R1.362 COCCCCNCC1CC(C1)O 2230a_100016992100_100000730899 [0,1,0,1,0,0|2,0,0]=4 26528 B13R1.362 FCCCCCCNC1CC(C1)F 2230a_100016993743_100015922095 [0,1,0,1,0,0|2,0,0]=4 26529 B13R1.362 FCCCCCOCC1CC(C1)Cl 34a_100009874164_100000729378 [0,1,0,1,0,0|2,0,0]=4 26530 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,1,0,1,0,0|1,0,1]=4 26531 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,1,0,1,0,0|1,0,1]=4 26532 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,1,0,1,0,0|1,0,1]=4 26533 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,1,0,1,0,0|1,0,1]=4 26534 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,1,0,1,0,0|1,0,1]=4 26535 B13R1.362 OC1CC(C1)CNCCCCCF 2230a_100016992100_100000729378 [0,1,0,1,0,0|2,0,0]=4 26536 B13R1.362 OCCCCCCCN1CC(C1)F 2230a_100000690557_100000760002 [0,1,0,1,0,0|1,0,0]=3 26537 B13R1.362 OCCCCCCCN1CC(C1)F 269982a_100000690557_100000760002 [0,1,0,1,0,0|1,0,0]=3 26538 B13R1.362 OCCCCCCCN1CC(C1)F 34a_100000690557_100000760002 [0,1,0,1,0,0|1,0,0]=3 26539 B13R1.362 OCCCCCCCN1CC(C1)O 269982a_100000749847_100000760002 [0,1,0,1,0,0|1,0,0]=3 26540 B13R1.362 OCCCCCCNC1CC(C1)F 2230a_100016993743_100000766143 [0,1,0,1,0,0|1,0,0]=3 26541 B13R1.362 OCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000766143 [0,1,0,1,0,0|1,0,0]=3 26542 B13R1.362 OCCCCCNCC1CC(C1)O 2230a_100016992100_100000746330 [0,1,0,1,0,0|1,0,0]=3 26543 B13R1.362 OCCCCCOCC1CC(C1)Cl 34a_100009874164_100000746330 [0,1,0,1,0,0|1,0,0]=3 26544 B13R1.362 OCCOCCNCC1CC(C1)O 2230a_100016992100_100011215305 [0,1,0,1,0,0|2,0,0]=4 26545 B13R1.362 OCCOCCOCC1CC(C1)Cl 34a_100009874164_100000692535 [0,1,0,1,0,0|2,0,0]=4 26546 B13R1.362 O[C@H]1C[C@@H](C1)NCCCCCCF 2230a_100020629032_100015922095 [0,1,0,1,0,0|2,0,0]=4 26547 B13R1.369 CC1CCC(C(C1)C)OCCCF 34a_100011539931_100011934791 [0,1,0,1,0,0|2,0,0]=4 26548 B13R1.369 CC1CCC(C(C1)C)OCCCF 7a_100011539931_100011934791 [0,1,0,1,0,0|2,0,0]=4 26549 B13R1.369 CC1CCC(C(C1)C)OCCCO 34a_100011539931_100000230001 [0,1,0,1,0,0|1,0,0]=3 26550 B13R1.369 CC1CCC(C(C1)C)OCCCO 7a_100011539931_100011215043 [0,1,0,1,0,0|1,0,0]=3 26551 B13R1.369 CCCCOC1CCC(CC1C)C 34a_100011539931_100000210210 [0,1,0,1,0,0|2,0,0]=4 26552 B13R1.369 CCCCOC1CCC(CC1C)C 7a_100011539931_100000210211 [0,1,0,1,0,0|2,0,0]=4 26553 B13R1.369 C[C@H]1CN(CCN1CCCCO)C 2230a_100012002466_100000210776 [0,1,0,1,0,0|2,0,0]=4 26554 B13R1.369 C[C@H]1CN(CCN1CCCCO)C 269982a_100012002466_100000210776 [0,1,0,1,0,0|2,0,0]=4 26555 B13R1.404 CC(CCBr)OCCC1CCCC1 34a_100012276601_100000760354 [0,1,0,1,0,0|2,0,0]=4 26556 B13R1.404 CC(CCN)COCC1CCCC1 34a_106354213184_100000740388 [0,1,0,1,0,0|2,0,0]=4 26557 B13R1.404 CC(CCO)NCCC1CCCC1 2230a_100000739158_100009893172 [0,1,0,1,0,0|1,0,0]=3 26558 B13R1.404 CC(CCO)NCCC1CCCC1 34a_100000739158_100009893172 [0,1,0,1,0,0|1,0,0]=3 26559 B13R1.404 CC(CCO)OCCC1CCCC1 34a_100000749090_100009893172 [0,1,0,1,0,0|1,0,0]=3 26560 B13R1.404 CC(CCO)OCCC1CCCC1 7a_100000749090_100009893172 [0,1,0,1,0,0|1,0,0]=3 26561 B13R1.404 CC(CCO)OCCC1CCNC1 34a_100016987287_100009893172 [0,1,0,1,0,0|2,0,0]=4 26562 B13R1.404 CC(CCO)OCCC1CCOC1 34a_100011879284_100009893172 [0,1,0,1,0,0|2,0,0]=4 26563 B13R1.404 CC(CCO)SCCC1CCCC1 62a_100000760354_100009893172 [0,1,0,1,0,0|1,0,0]=3 26564 B13R1.404 CC(CCO)SCCC1CCCC1 62a_100009893172_100000760354 [0,1,0,1,0,0|1,0,0]=3 26565 B13R1.404 CC(CCO)SCCN1CCCC1 62a_100000700749_100009893172 [0,1,0,1,0,0|2,0,0]=4 26566 B13R1.404 CC(CCO)SCCN1CCCC1 62a_100009893172_100000004467 [0,1,0,1,0,0|2,0,0]=4 26567 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,1,0,1,0,0|1,0,1]=4 26568 B13R1.404 CCCC(=O)CCCC1OCCO1 1458a_100000211992_100000042513 [0,1,0,1,0,0|1,0,1]=4 26569 B13R1.404 CCCC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747444 [0,1,0,1,0,0|1,0,1]=4 26570 B13R1.404 CCCC(=O)COCC1CCCO1 1458a_100011223388_100000210303 [0,1,0,1,0,0|1,0,1]=4 26571 B13R1.404 CCCC(=O)COCC1CCCO1 7a_100000210270_100000747444 [0,1,0,1,0,0|1,0,1]=4 26572 B13R1.404 CCCC(=O)CSCC1CCCO1 1458a_100000217298_100000210303 [0,1,0,1,0,0|1,0,1]=4 26573 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000203698_100000747444 [0,1,0,1,0,0|1,0,1]=4 26574 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000747444_100000203698 [0,1,0,1,0,0|1,0,1]=4 26575 B13R1.404 CCCC(C)CCOC1CCCC1 34a_100011217855_100000179811 [0,1,0,1,0,0|2,0,0]=4 26576 B13R1.404 CCCC(C)CCOC1CCCC1 7a_100011217855_100000179811 [0,1,0,1,0,0|2,0,0]=4 26577 B13R1.404 CCCC(C)CNCC1CCCC1 2230a_100000737975_100011216630 [0,1,0,1,0,0|2,0,0]=4 26578 B13R1.404 CCCC(C)CNCC1CCCC1 270004a_100000737975_100000243154 [0,1,0,1,0,0|2,0,0]=4 26579 B13R1.404 CCCC(C)CNCC1CCCC1 34a_100000737975_100011216630 [0,1,0,1,0,0|2,0,0]=4 26580 B13R1.404 CCCC(C)CNCC1OCCO1 2230a_100000036311_100011216630 [0,1,0,1,0,0|2,0,0]=4 26581 B13R1.404 CCCC(C)CNCC1OCCO1 270004a_100000036311_100000243154 [0,1,0,1,0,0|2,0,0]=4 26582 B13R1.404 CCCC(C)CNCC1OCCO1 34a_100000036311_100011216630 [0,1,0,1,0,0|2,0,0]=4 26583 B13R1.404 CCCC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100011216630 [0,1,0,1,0,0|1,0,0]=3 26584 B13R1.404 CCCC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000243154 [0,1,0,1,0,0|1,0,0]=3 26585 B13R1.404 CCCC(C)CNC[C@@H]1CCCO1 34a_100020590478_100011216630 [0,1,0,1,0,0|1,0,0]=3 26586 B13R1.404 CCCC(C)COCC1CCCC1 34a_100000688023_100000740388 [0,1,0,1,0,0|2,0,0]=4 26587 B13R1.404 CCCC(C)COCC1CCCC1 34a_100000742336_100011216630 [0,1,0,1,0,0|2,0,0]=4 26588 B13R1.404 CCCC(C)COCC1CCCC1 7a_100000688023_100000740388 [0,1,0,1,0,0|2,0,0]=4 26589 B13R1.404 CCCC(C)COCC1CCCC1 7a_100000742336_100011216630 [0,1,0,1,0,0|2,0,0]=4 26590 B13R1.404 CCCC(C)COCC1CCCO1 34a_100000210270_100011216630 [0,1,0,1,0,0|1,0,0]=3 26591 B13R1.404 CCCC(C)COCC1CCCO1 7a_100000210270_100011216630 [0,1,0,1,0,0|1,0,0]=3 26592 B13R1.404 CCCC(C)COCC1CCCO1 7a_100000688023_100000203698 [0,1,0,1,0,0|1,0,0]=3 26593 B13R1.404 CCCC(C)COCC1COCO1 34a_100011216627_100011216630 [0,1,0,1,0,0|2,0,0]=4 26594 B13R1.404 CCCC(C)COCC1OCCO1 34a_100000087154_100011216630 [0,1,0,1,0,0|2,0,0]=4 26595 B13R1.404 CCCC(C)COCC1OCCO1 34a_100000688023_100000755774 [0,1,0,1,0,0|2,0,0]=4 26596 B13R1.404 CCCC(C)COCC1OCCO1 7a_100000688023_100000755774 [0,1,0,1,0,0|2,0,0]=4 26597 B13R1.404 CCCC(C)COC[C@H]1CCCN1 34a_100000745186_100011216630 [0,1,0,1,0,0|2,0,0]=4 26598 B13R1.404 CCCC(C)CSCC1CCCC1 62a_100000740388_100011216630 [0,1,0,1,0,0|2,0,0]=4 26599 B13R1.404 CCCC(C)CSCC1CCCC1 62a_100011216630_100000740388 [0,1,0,1,0,0|2,0,0]=4 26600 B13R1.404 CCCC(C)CSCC1CCCO1 62a_100000203698_100011216630 [0,1,0,1,0,0|1,0,0]=3 26601 B13R1.404 CCCC(C)CSCC1CCCO1 62a_100011216630_100000203698 [0,1,0,1,0,0|1,0,0]=3 26602 B13R1.404 CCCC(C)CSCC1OCCO1 62a_100000755774_100011216630 [0,1,0,1,0,0|2,0,0]=4 26603 B13R1.404 CCCC(C)CSCC1OCCO1 62a_100011216630_100000755774 [0,1,0,1,0,0|2,0,0]=4 26604 B13R1.404 CCCC(C)NCCC1CCCC1 2230a_100000739158_100000766640 [0,1,0,1,0,0|2,0,0]=4 26605 B13R1.404 CCCC(C)NCCC1CCCC1 2230a_100000741246_100000760354 [0,1,0,1,0,0|2,0,0]=4 26606 B13R1.404 CCCC(C)NCCC1CCCC1 270004a_100000739158_100000211909 [0,1,0,1,0,0|2,0,0]=4 26607 B13R1.404 CCCC(C)NCCC1CCCC1 34a_100000739158_100000766640 [0,1,0,1,0,0|2,0,0]=4 26608 B13R1.404 CCCC(C)NCCC1OCCO1 2230a_100000034215_100000766640 [0,1,0,1,0,0|2,0,0]=4 26609 B13R1.404 CCCC(C)NCCC1OCCO1 2230a_100000741246_100000740749 [0,1,0,1,0,0|2,0,0]=4 26610 B13R1.404 CCCC(C)NCCC1OCCO1 270004a_100000034215_100000211909 [0,1,0,1,0,0|2,0,0]=4 26611 B13R1.404 CCCC(C)NCCC1OCCO1 34a_100000034215_100000766640 [0,1,0,1,0,0|2,0,0]=4 26612 B13R1.404 CCCC(C)OCCC1CCCC1 34a_100000749090_100000766640 [0,1,0,1,0,0|2,0,0]=4 26613 B13R1.404 CCCC(C)OCCC1CCCC1 34a_100000764384_100000760354 [0,1,0,1,0,0|2,0,0]=4 26614 B13R1.404 CCCC(C)OCCC1CCCC1 7a_100000749090_100000766640 [0,1,0,1,0,0|2,0,0]=4 26615 B13R1.404 CCCC(C)OCCC1CCCC1 7a_100000764384_100000760354 [0,1,0,1,0,0|2,0,0]=4 26616 B13R1.404 CCCC(C)OCCC1OCCO1 34a_100000764384_100000740749 [0,1,0,1,0,0|2,0,0]=4 26617 B13R1.404 CCCC(C)OCCC1OCCO1 7a_100000764384_100000740749 [0,1,0,1,0,0|2,0,0]=4 26618 B13R1.404 CCCC(C)SCCC1CCCC1 62a_100000760354_100000766640 [0,1,0,1,0,0|2,0,0]=4 26619 B13R1.404 CCCC(C)SCCC1CCCC1 62a_100000766640_100000760354 [0,1,0,1,0,0|2,0,0]=4 26620 B13R1.404 CCCC(C)SCCC1OCCO1 62a_100000766640_100000740749 [0,1,0,1,0,0|2,0,0]=4 26621 B13R1.404 CCCN(C)CCCC1CCCC1 2230a_100000747261_100011713738 [0,1,0,1,0,0|2,0,0]=4 26622 B13R1.404 CCCN(C)CCCC1CCCC1 2230a_100015186261_100000210303 [0,1,0,1,0,0|2,0,0]=4 26623 B13R1.404 CCCN(C)CCCC1CCCC1 269982a_100000747261_100011713738 [0,1,0,1,0,0|2,0,0]=4 26624 B13R1.404 CCCN(C)CCCC1CCCC1 269982a_100015186261_100000210303 [0,1,0,1,0,0|2,0,0]=4 26625 B13R1.404 CCCN(C)CCCC1CCCC1 34a_100015186261_100000210303 [0,1,0,1,0,0|2,0,0]=4 26626 B13R1.404 CCCN(C)CCCC1CCCO1 2230a_100011698863_100000210303 [0,1,0,1,0,0|1,0,0]=3 26627 B13R1.404 CCCN(C)CCCC1CCCO1 269982a_100011698863_100000210303 [0,1,0,1,0,0|1,0,0]=3 26628 B13R1.404 CCCN(C)CCCC1CCCO1 34a_100011698863_100000210303 [0,1,0,1,0,0|1,0,0]=3 26629 B13R1.404 CCCN(C)CCCC1OCCO1 2230a_100000747261_100000042513 [0,1,0,1,0,0|2,0,0]=4 26630 B13R1.404 CCCN(C)CCCC1OCCO1 269982a_100000747261_100000042513 [0,1,0,1,0,0|2,0,0]=4 26631 B13R1.404 CCC[C@H](N)CCOC1CCCC1 34a_100015193777_100000179811 [0,1,0,1,0,0|2,0,0]=4 26632 B13R1.404 CCC[C@H](N)COCC1CCCC1 34a_100000732646_100000740388 [0,1,0,1,0,0|2,0,0]=4 26633 B13R1.404 CCC[C@H](N)COCC1OCCO1 34a_100000732646_100000755774 [0,1,0,1,0,0|2,0,0]=4 26634 B13R1.404 CN(CCF)CCCC1CCCC1 2230a_100015186261_100011217306 [0,1,0,1,0,0|2,0,0]=4 26635 B13R1.404 CN(CCF)CCCC1CCCC1 269982a_100015186261_100011217306 [0,1,0,1,0,0|2,0,0]=4 26636 B13R1.404 CN(CCF)CCCC1CCCC1 34a_100015186261_100011217306 [0,1,0,1,0,0|2,0,0]=4 26637 B13R1.404 CN(CCF)CCCC1CCCO1 2230a_100011698863_100011217306 [0,1,0,1,0,0|2,0,0]=4 26638 B13R1.404 CN(CCF)CCCC1CCCO1 269982a_100011698863_100011217306 [0,1,0,1,0,0|2,0,0]=4 26639 B13R1.404 CN(CCF)CCCC1CCCO1 34a_100011698863_100011217306 [0,1,0,1,0,0|2,0,0]=4 26640 B13R1.404 CN(CCO)CCCC1CCCC1 2230a_100000210263_100011713738 [0,1,0,1,0,0|1,0,0]=3 26641 B13R1.404 CN(CCO)CCCC1CCCC1 2230a_100015186261_100000211926 [0,1,0,1,0,0|1,0,0]=3 26642 B13R1.404 CN(CCO)CCCC1CCCC1 269982a_100000210263_100011713738 [0,1,0,1,0,0|1,0,0]=3 26643 B13R1.404 CN(CCO)CCCC1CCCC1 269982a_100015186261_100000211926 [0,1,0,1,0,0|1,0,0]=3 26644 B13R1.404 CN(CCO)CCCC1CCCC1 34a_100015186261_100000211926 [0,1,0,1,0,0|1,0,0]=3 26645 B13R1.404 CN(CCO)CCCC1CCCO1 2230a_100011698863_100000211926 [0,1,0,1,0,0|2,0,0]=4 26646 B13R1.404 CN(CCO)CCCC1CCCO1 269982a_100011698863_100000211926 [0,1,0,1,0,0|2,0,0]=4 26647 B13R1.404 CN(CCO)CCCC1CCCO1 34a_100011698863_100000211926 [0,1,0,1,0,0|2,0,0]=4 26648 B13R1.404 CN(CCO)CCCN1CCCC1 2230a_100000210263_100011445909 [0,1,0,1,0,0|2,0,0]=4 26649 B13R1.404 CN(CCO)CCCN1CCCC1 269982a_100000210263_100011445909 [0,1,0,1,0,0|2,0,0]=4 26650 B13R1.404 CN(CCO)CCCN1CCCC1 269982a_100000233079_100000211926 [0,1,0,1,0,0|2,0,0]=4 26651 B13R1.404 COCC(O)CNCC1CCCO1 2230a_100000756049_100000203698 [0,1,0,1,0,0|2,0,0]=4 26652 B13R1.404 COCC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011215053 [0,1,0,1,0,0|2,0,0]=4 26653 B13R1.404 COCC(O)COCC1CCCO1 34a_100000210270_100011215053 [0,1,0,1,0,0|2,0,0]=4 26654 B13R1.404 COCC(O)COCC1CCCO1 7a_100000210270_100011215053 [0,1,0,1,0,0|2,0,0]=4 26655 B13R1.404 COCC(O)CSCC1CCCO1 62a_100000203698_100011215053 [0,1,0,1,0,0|2,0,0]=4 26656 B13R1.404 COCC(O)CSCC1CCCO1 62a_100011215053_100000203698 [0,1,0,1,0,0|2,0,0]=4 26657 B13R1.404 COCN(C)CCCC1CCCO1 2230a_100011698863_100000766300 [0,1,0,1,0,0|2,0,0]=4 26658 B13R1.404 COCN(C)CCCC1CCCO1 269982a_100011698863_100000766300 [0,1,0,1,0,0|2,0,0]=4 26659 B13R1.404 CSCN(C)CCCC1CCCO1 2230a_100011698863_100011218213 [0,1,0,1,0,0|2,0,0]=4 26660 B13R1.404 CSCN(C)CCCC1CCCO1 269982a_100011698863_100011218213 [0,1,0,1,0,0|2,0,0]=4 26661 B13R1.404 CSCN(C)CCCC1CCCO1 34a_100011698863_100011218213 [0,1,0,1,0,0|2,0,0]=4 26662 B13R1.404 C[C@H](CCO)NCCC1CCCC1 2230a_100000706166_100000760354 [0,1,0,1,0,0|1,0,0]=3 26663 B13R1.404 C[C@H](CCO)NCCC1CCCC1 34a_100000706166_100000760354 [0,1,0,1,0,0|1,0,0]=3 26664 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [0,1,0,1,0,0|0,0,1]=3 26665 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100000743284_100000211926 [0,1,0,1,0,0|1,0,1]=4 26666 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100011216618_100011445909 [0,1,0,1,0,0|1,0,1]=4 26667 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [0,1,0,1,0,0|1,0,1]=4 26668 B13R1.443 CCC1CCCC1N[C@H](C)CCO 269862a_100000706166_100000749056 [0,1,0,1,0,0|1,0,0]=3 26669 B13R1.443 CCC1CCCC1N[C@H](C)CCO 270004a_100000706166_100000749056 [0,1,0,1,0,0|1,0,0]=3 26670 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747444 [0,1,0,1,0,0|1,0,1]=4 26671 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747444 [0,1,0,1,0,0|1,0,1]=4 26672 B13R1.443 CCCC(C)CN1CCCC1CC 2230a_100000754278_100011216630 [0,1,0,1,0,0|2,0,0]=4 26673 B13R1.443 CCCC(C)CN1CCCC1CC 269982a_100000754278_100011216630 [0,1,0,1,0,0|2,0,0]=4 26674 B13R1.443 CCCC(C)CN1CCCC1CC 270004a_100000754278_100000243154 [0,1,0,1,0,0|2,0,0]=4 26675 B13R1.443 CCCC(C)CN1CCCC1CC 34a_100000754278_100011216630 [0,1,0,1,0,0|2,0,0]=4 26676 B13R1.443 CCCC(C)CN1CCC[C@@H]1CO 2230a_100000745186_100011216630 [0,1,0,1,0,0|1,0,0]=3 26677 B13R1.443 CCCC(C)CN1CCC[C@@H]1CO 269982a_100000745186_100011216630 [0,1,0,1,0,0|1,0,0]=3 26678 B13R1.443 CCCC(C)CN1CCC[C@@H]1CO 270004a_100000745186_100000243154 [0,1,0,1,0,0|1,0,0]=3 26679 B13R1.443 CCCC(C)CN1CCC[C@@H]1CO 34a_100000745186_100011216630 [0,1,0,1,0,0|1,0,0]=3 26680 B13R1.443 CCCC(C)NC1CCCC1CC 269862a_100000741246_100000749056 [0,1,0,1,0,0|2,0,0]=4 26681 B13R1.443 CCCC(C)NC1CCCC1CC 270004a_100000741246_100000749056 [0,1,0,1,0,0|2,0,0]=4 26682 B13R1.443 COCC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011215053 [0,1,0,1,0,0|2,0,0]=4 26683 B13R1.444 CC(CCO)OCC1CCCN1C 34a_100000743107_100009893172 [0,1,0,1,0,0|2,0,0]=4 26684 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747444_200016002552 [0,1,0,1,0,0|1,0,1]=4 26685 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747444 [0,1,0,1,0,0|1,0,1]=4 26686 B13R1.444 CCCC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000243154 [0,1,0,1,0,0|1,0,0]=3 26687 B13R1.444 CCCC(C)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100011216630 [0,1,0,1,0,0|2,0,0]=4 26688 B13R1.444 CCCC(C)CN[C@H]1COC[C@@H]1O 270004a_100015191717_100000243154 [0,1,0,1,0,0|2,0,0]=4 26689 B13R1.444 CCCC(C)COC1CCCC1C 34a_100011216460_100011216630 [0,1,0,1,0,0|2,0,0]=4 26690 B13R1.444 CCCC(C)COC1CCCC1C 7a_100011216460_100011216630 [0,1,0,1,0,0|2,0,0]=4 26691 B13R1.444 CCCC(C)COC1COCC1O 34a_100000688023_200000725654 [0,1,0,1,0,0|2,0,0]=4 26692 B13R1.444 CCCC(C)COC1COCC1O 7a_100000688023_200000725654 [0,1,0,1,0,0|2,0,0]=4 26693 B13R1.444 CCCC(C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011216630 [0,1,0,1,0,0|2,0,0]=4 26694 B13R1.444 CCCC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011216630 [0,1,0,1,0,0|2,0,0]=4 26695 B13R1.444 CCCC(C)CSC1COCC1O 62a_100011216630_200000725654 [0,1,0,1,0,0|2,0,0]=4 26696 B13R1.444 CCCC(C)CSC1COCC1O 62a_200000725654_100011216630 [0,1,0,1,0,0|2,0,0]=4 26697 B13R1.444 CCCC(C)CS[C@@H]1CCC[C@H]1O 62a_100011216630_200016002552 [0,1,0,1,0,0|1,0,0]=3 26698 B13R1.444 CCCC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011216630 [0,1,0,1,0,0|1,0,0]=3 26699 B13R1.444 CCC[C@H](N)COC1COCC1O 34a_100000732646_200000725654 [0,1,0,1,0,0|2,0,0]=4 26700 B13R1.444 CN(CCO)CCC1CCCN1C 2230a_100000210263_100000005710 [0,1,0,1,0,0|2,0,0]=4 26701 B13R1.444 CN(CCO)CCC1CCCN1C 269982a_100000210263_100000005710 [0,1,0,1,0,0|2,0,0]=4 26702 B13R1.444 CN1CCCC1CCC(=O)CCO 1458a_100011216618_100000005710 [0,1,0,1,0,0|1,0,1]=4 26703 B13R1.444 COCC(O)CS[C@@H]1CCC[C@H]1O 62a_100011215053_200016002552 [0,1,0,1,0,0|2,0,0]=4 26704 B13R1.444 COCC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215053 [0,1,0,1,0,0|2,0,0]=4 26705 B13R1.448 CCCC(C)CCCOC1CCC1 34a_100011713154_100000749161 [0,1,0,1,0,0|2,0,0]=4 26706 B13R1.448 CCCC(C)CCOCC1CCC1 34a_100011217855_100000763275 [0,1,0,1,0,0|2,0,0]=4 26707 B13R1.448 CCCC(C)CCOCC1CCC1 7a_100011217855_100000763275 [0,1,0,1,0,0|2,0,0]=4 26708 B13R1.448 CCCC(C)CCOCC1CCO1 34a_100011217855_100000103362 [0,1,0,1,0,0|1,0,0]=3 26709 B13R1.448 CCCC(C)CCOCC1CCO1 7a_100011217855_100000103362 [0,1,0,1,0,0|1,0,0]=3 26710 B13R1.448 CCC[C@H](N)CCOCC1CCC1 34a_100015193777_100000763275 [0,1,0,1,0,0|2,0,0]=4 26711 B13R1.448 CCC[C@H](N)CCOCC1CCO1 34a_100015193777_100000103362 [0,1,0,1,0,0|1,0,0]=3 26712 B13R1.453 CC(CCN)COCCCC1CO1 34a_106354213184_100000733510 [0,1,0,1,0,0|2,0,0]=4 26713 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000733510_100000747444 [0,1,0,1,0,0|1,0,1]=4 26714 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000747444_100000733510 [0,1,0,1,0,0|1,0,1]=4 26715 B13R1.453 CCCC(C)CCCOCC1CC1 34a_100011713154_100000742324 [0,1,0,1,0,0|2,0,0]=4 26716 B13R1.453 CCCC(C)CCCOCC1CC1 7a_100011713154_100000742324 [0,1,0,1,0,0|2,0,0]=4 26717 B13R1.453 CCCC(C)CCCOCC1CO1 34a_100011713154_102125554688 [0,1,0,1,0,0|1,0,0]=3 26718 B13R1.453 CCCC(C)CCCOCC1CO1 7a_100011713154_102125554688 [0,1,0,1,0,0|1,0,0]=3 26719 B13R1.453 CCCC(C)CCCOCC1CS1 7a_100011713154_100000031435 [0,1,0,1,0,0|1,1,0]=4 26720 B13R1.453 CCCC(C)CCCOC[C@@H]1CO1 7a_100011713154_100000745022 [0,1,0,1,0,0|1,0,0]=3 26721 B13R1.453 CCCC(C)CCOCCC1CC1 34a_100011217855_100000694398 [0,1,0,1,0,0|2,0,0]=4 26722 B13R1.453 CCCC(C)CCOCCC1CC1 7a_100011217855_100000764125 [0,1,0,1,0,0|2,0,0]=4 26723 B13R1.453 CCCC(C)CCOCCC1CO1 34a_100011217855_100000732470 [0,1,0,1,0,0|1,0,0]=3 26724 B13R1.453 CCCC(C)CCOCCC1CO1 7a_100011217855_100000732470 [0,1,0,1,0,0|1,0,0]=3 26725 B13R1.453 CCCC(C)COCCCC1CO1 34a_100000688023_100000733510 [0,1,0,1,0,0|1,0,0]=3 26726 B13R1.453 CCCC(C)COCCCC1CO1 7a_100000688023_100000733510 [0,1,0,1,0,0|1,0,0]=3 26727 B13R1.453 CCCC(C)CSCCCC1CO1 62a_100000733510_100011216630 [0,1,0,1,0,0|1,0,0]=3 26728 B13R1.453 CCCC(C)CSCCCC1CO1 62a_100011216630_100000733510 [0,1,0,1,0,0|1,0,0]=3 26729 B13R1.453 CCC[C@H](N)CCOCCC1CC1 34a_100015193777_100000694398 [0,1,0,1,0,0|2,0,0]=4 26730 B13R1.453 CCC[C@H](N)CCOCCC1CO1 34a_100015193777_100000732470 [0,1,0,1,0,0|1,0,0]=3 26731 B13R1.453 CCC[C@H](N)COCCCC1CO1 34a_100000732646_100000733510 [0,1,0,1,0,0|1,0,0]=3 26732 B13R1.453 COCC(N)COCCCC1CO1 34a_100000724102_100000733510 [0,1,0,1,0,0|2,0,0]=4 26733 B13R1.453 COCC(O)CNCCCC1CO1 2230a_100000756049_100000733510 [0,1,0,1,0,0|2,0,0]=4 26734 B13R1.453 COCC(O)CNCCCC1CO1 34a_100000756049_100000733510 [0,1,0,1,0,0|2,0,0]=4 26735 B13R1.453 COCC(O)CSCCCC1CO1 62a_100000733510_100011215053 [0,1,0,1,0,0|2,0,0]=4 26736 B13R1.453 COCC(O)CSCCCC1CO1 62a_100011215053_100000733510 [0,1,0,1,0,0|2,0,0]=4 26737 B13R1.463 CN1CCCCCC1C(=O)CCO 1458a_100015187800_100000211926 [0,1,0,1,0,0|1,0,1]=4 26738 B13R1.464 CC(CCO)N1CCCCC1CO 2230a_100000210821_100009893172 [0,1,0,1,0,0|2,0,0]=4 26739 B13R1.464 CC(CCO)N1CCCCC1CO 269982a_100000210821_100009893172 [0,1,0,1,0,0|2,0,0]=4 26740 B13R1.464 CC(CCO)N1CCCCC1CO 34a_100000210821_100009893172 [0,1,0,1,0,0|2,0,0]=4 26741 B13R1.464 CCC1CCCCC1N(C)CCO 270004a_100000210263_100000757040 [0,1,0,1,0,0|1,0,0]=3 26742 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [0,1,0,1,0,0|1,0,1]=4 26743 B13R1.464 CCC1CCCCN1C(C)CCO 2230a_100000210034_100009893172 [0,1,0,1,0,0|1,0,0]=3 26744 B13R1.464 CCC1CCCCN1C(C)CCO 269982a_100000210034_100009893172 [0,1,0,1,0,0|1,0,0]=3 26745 B13R1.464 CCC1CCCCN1C(C)CCO 34a_100000210034_100009893172 [0,1,0,1,0,0|1,0,0]=3 26746 B13R1.464 CCCC(=O)N1CCCCC1CO 240690a_100000210821_100000211992 [0,1,0,1,0,0|1,0,1]=4 26747 B13R1.464 CCCC(C)N1CCCCC1CC 2230a_100000210034_100000766640 [0,1,0,1,0,0|2,0,0]=4 26748 B13R1.464 CCCC(C)N1CCCCC1CC 269982a_100000210034_100000766640 [0,1,0,1,0,0|2,0,0]=4 26749 B13R1.464 CCCC(C)N1CCCCC1CC 270004a_100000210034_100000211909 [0,1,0,1,0,0|2,0,0]=4 26750 B13R1.464 CCCC(C)N1CCCCC1CC 34a_100000210034_100000766640 [0,1,0,1,0,0|2,0,0]=4 26751 B13R1.464 CCCC(C)N1CCCCC1CO 2230a_100000210821_100000766640 [0,1,0,1,0,0|1,0,0]=3 26752 B13R1.464 CCCC(C)N1CCCCC1CO 269982a_100000210821_100000766640 [0,1,0,1,0,0|1,0,0]=3 26753 B13R1.464 CCCC(C)N1CCCCC1CO 34a_100000210821_100000766640 [0,1,0,1,0,0|1,0,0]=3 26754 B13R1.464 CCCC(C)N1CCOC[C@H]1CO 2230a_100000717676_100000766640 [0,1,0,1,0,0|2,0,0]=4 26755 B13R1.464 CCCC(C)N1CCOC[C@H]1CO 269982a_100000717676_100000766640 [0,1,0,1,0,0|2,0,0]=4 26756 B13R1.464 CCCC(C)N1CCOC[C@H]1CO 270004a_100000717676_100000211909 [0,1,0,1,0,0|2,0,0]=4 26757 B13R1.464 CCCC(C)N1CCOC[C@H]1CO 34a_100000717676_100000766640 [0,1,0,1,0,0|2,0,0]=4 26758 B13R1.464 CCCN(C)C1CCCCC1CC 270004a_100000747261_100000757040 [0,1,0,1,0,0|2,0,0]=4 26759 B13R1.464 CCCN(C)C1CCCCC1CO 270004a_100000747261_100009861125 [0,1,0,1,0,0|1,0,0]=3 26760 B13R1.464 CCN1CCCCC1C(=O)CCO 1458a_100000743832_100000211926 [0,1,0,1,0,0|1,0,1]=4 26761 B13R1.464 CC[C@H]1COCCN1C(C)CCO 2230a_100016988097_100009893172 [0,1,0,1,0,0|2,0,0]=4 26762 B13R1.464 CC[C@H]1COCCN1C(C)CCO 269982a_100016988097_100009893172 [0,1,0,1,0,0|2,0,0]=4 26763 B13R1.464 CC[C@H]1COCCN1C(C)CCO 34a_100016988097_100009893172 [0,1,0,1,0,0|2,0,0]=4 26764 B13R1.464 CN(CCO)C1CCCCC1CO 270004a_100000210263_100009861125 [0,1,0,1,0,0|2,0,0]=4 26765 B13R1.464 COC1CCCCC1N(C)CCO 270004a_100000210263_100000740605 [0,1,0,1,0,0|2,0,0]=4 26766 B13R1.464 COCC(C)N1CCCCC1CO 2230a_100000210821_100000765312 [0,1,0,1,0,0|2,0,0]=4 26767 B13R1.464 COCC(C)N1CCCCC1CO 269982a_100000210821_100000765312 [0,1,0,1,0,0|2,0,0]=4 26768 B13R1.464 COCC(C)N1CCCCC1CO 34a_100000210821_100000765312 [0,1,0,1,0,0|2,0,0]=4 26769 B13R1.470 CC(CCBr)OC1CCCCC1O 34a_100012276601_100000038908 [0,1,0,1,0,0|2,0,0]=4 26770 B13R1.470 CC(CCO)NC1CCCCC1C 2230a_100000211402_100009893172 [0,1,0,1,0,0|1,0,0]=3 26771 B13R1.470 CC(CCO)NC1CCCCC1C 34a_100000211402_100009893172 [0,1,0,1,0,0|1,0,0]=3 26772 B13R1.470 CC(CCO)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009893172 [0,1,0,1,0,0|2,0,0]=4 26773 B13R1.470 CC(CCO)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100009893172 [0,1,0,1,0,0|2,0,0]=4 26774 B13R1.470 CC(CCO)OC1CCCCC1C 34a_100000211207_100009893172 [0,1,0,1,0,0|1,0,0]=3 26775 B13R1.470 CC(CCO)OC1CCCCC1C 7a_100000211207_100009893172 [0,1,0,1,0,0|1,0,0]=3 26776 B13R1.470 CC(CCO)OC1CCCCC1Cl 34a_100000038908_100009893172 [0,1,0,1,0,0|2,0,0]=4 26777 B13R1.470 CC(CCO)OC1CCCCC1Cl 7a_100000038908_100009893172 [0,1,0,1,0,0|2,0,0]=4 26778 B13R1.470 CC(CCO)OC1CCNCC1C 34a_100011998114_100009893172 [0,1,0,1,0,0|2,0,0]=4 26779 B13R1.470 CC(CCO)OC1CNCCC1C 34a_100000696640_100009893172 [0,1,0,1,0,0|2,0,0]=4 26780 B13R1.470 CC(CCO)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100009893172 [0,1,0,1,0,0|2,0,0]=4 26781 B13R1.470 CC(CCO)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100009893172 [0,1,0,1,0,0|2,0,0]=4 26782 B13R1.470 CC(CCO)O[C@H]1CCCC[C@H]1N 34a_100015191688_100009893172 [0,1,0,1,0,0|2,0,0]=4 26783 B13R1.470 CC(CCO)SC1CCCCC1F 62a_100009893172_100015423560 [0,1,0,1,0,0|2,0,0]=4 26784 B13R1.470 CC(CCO)SC1CCCCC1F 62a_100015423560_100009893172 [0,1,0,1,0,0|2,0,0]=4 26785 B13R1.470 CC(CCO)SC1CCCCC1O 62a_100000038908_100009893172 [0,1,0,1,0,0|2,0,0]=4 26786 B13R1.470 CC(CCO)SC1CCCCC1O 62a_100009893172_100000038908 [0,1,0,1,0,0|2,0,0]=4 26787 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [0,1,0,1,0,0|1,0,1]=4 26788 B13R1.470 CC1CCCCC1N[C@H](C)CCO 269862a_100000706166_100000210921 [0,1,0,1,0,0|1,0,0]=3 26789 B13R1.470 CC1CCCCC1N[C@H](C)CCO 270004a_100000706166_100000210921 [0,1,0,1,0,0|1,0,0]=3 26790 B13R1.470 CC1CNCCC1N[C@H](C)CCO 270004a_100000706166_100000703950 [0,1,0,1,0,0|2,0,0]=4 26791 B13R1.470 CC1COCCC1N[C@H](C)CCO 270004a_100000706166_100000755695 [0,1,0,1,0,0|2,0,0]=4 26792 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000211992 [0,1,0,1,0,0|1,0,1]=4 26793 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000211992 [0,1,0,1,0,0|1,0,1]=4 26794 B13R1.470 CCCC(C)CN1CCCCC1C 2230a_100000211376_100011216630 [0,1,0,1,0,0|2,0,0]=4 26795 B13R1.470 CCCC(C)CN1CCCCC1C 269982a_100000211376_100011216630 [0,1,0,1,0,0|2,0,0]=4 26796 B13R1.470 CCCC(C)CN1CCCCC1C 270004a_100000211376_100000243154 [0,1,0,1,0,0|2,0,0]=4 26797 B13R1.470 CCCC(C)CN1CCCCC1C 34a_100000211376_100011216630 [0,1,0,1,0,0|2,0,0]=4 26798 B13R1.470 CCCC(C)NC1CCCCC1C 2230a_100000211402_100000766640 [0,1,0,1,0,0|2,0,0]=4 26799 B13R1.470 CCCC(C)NC1CCCCC1C 269862a_100000741246_100000210921 [0,1,0,1,0,0|2,0,0]=4 26800 B13R1.470 CCCC(C)NC1CCCCC1C 270004a_100000211402_100000211909 [0,1,0,1,0,0|2,0,0]=4 26801 B13R1.470 CCCC(C)NC1CCCCC1C 270004a_100000741246_100000210921 [0,1,0,1,0,0|2,0,0]=4 26802 B13R1.470 CCCC(C)NC1CCCCC1C 34a_100000211402_100000766640 [0,1,0,1,0,0|2,0,0]=4 26803 B13R1.470 CCCC(C)N[C@@H]1CCCC[C@@H]1O 270004a_100015191688_100000211909 [0,1,0,1,0,0|1,0,0]=3 26804 B13R1.470 CCCC(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000766640 [0,1,0,1,0,0|2,0,0]=4 26805 B13R1.470 CCCC(C)N[C@@H]1CCCC[C@H]1F 270004a_100015195156_100000211909 [0,1,0,1,0,0|2,0,0]=4 26806 B13R1.470 CCCC(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100000766640 [0,1,0,1,0,0|2,0,0]=4 26807 B13R1.470 CCCC(C)N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000766640 [0,1,0,1,0,0|2,0,0]=4 26808 B13R1.470 CCCC(C)N[C@@H]1CCOC[C@@H]1O 270004a_100016994285_100000211909 [0,1,0,1,0,0|2,0,0]=4 26809 B13R1.470 CCCC(C)N[C@H]1COCC[C@@H]1O 2230a_100015739063_100000766640 [0,1,0,1,0,0|2,0,0]=4 26810 B13R1.470 CCCC(C)N[C@H]1COCC[C@@H]1O 270004a_100015739063_100000211909 [0,1,0,1,0,0|2,0,0]=4 26811 B13R1.470 CCCC(C)OC1CCCCC1C 34a_100000211207_100000766640 [0,1,0,1,0,0|2,0,0]=4 26812 B13R1.470 CCCC(C)OC1CCCCC1C 7a_100000211207_100000766640 [0,1,0,1,0,0|2,0,0]=4 26813 B13R1.470 CCCC(C)OC1CCCCC1Cl 34a_100000038908_100000766640 [0,1,0,1,0,0|2,0,0]=4 26814 B13R1.470 CCCC(C)OC1CCCCC1Cl 7a_100000038908_100000766640 [0,1,0,1,0,0|2,0,0]=4 26815 B13R1.470 CCCC(C)OC1CCCCC1F 34a_100000764384_100015423560 [0,1,0,1,0,0|2,0,0]=4 26816 B13R1.470 CCCC(C)OC1CCCCC1O 34a_100000764384_100000038908 [0,1,0,1,0,0|1,0,0]=3 26817 B13R1.470 CCCC(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100000766640 [0,1,0,1,0,0|2,0,0]=4 26818 B13R1.470 CCCC(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000766640 [0,1,0,1,0,0|2,0,0]=4 26819 B13R1.470 CCCC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000766640 [0,1,0,1,0,0|2,0,0]=4 26820 B13R1.470 CCCC(C)SC1CCCCC1F 62a_100000766640_100015423560 [0,1,0,1,0,0|2,0,0]=4 26821 B13R1.470 CCCC(C)SC1CCCCC1F 62a_100015423560_100000766640 [0,1,0,1,0,0|2,0,0]=4 26822 B13R1.470 CCCC(C)SC1CCCCC1O 62a_100000038908_100000766640 [0,1,0,1,0,0|1,0,0]=3 26823 B13R1.470 CCCC(C)SC1CCCCC1O 62a_100000766640_100000038908 [0,1,0,1,0,0|1,0,0]=3 26824 B13R1.470 CN(CCO)CC1CCCCN1C 2230a_100015185953_100000211926 [0,1,0,1,0,0|2,0,0]=4 26825 B13R1.470 CN(CCO)CC1CCCCN1C 269982a_100000210263_100015185383 [0,1,0,1,0,0|2,0,0]=4 26826 B13R1.470 CN(CCO)CC1CCCCN1C 269982a_100015185953_100000211926 [0,1,0,1,0,0|2,0,0]=4 26827 B13R1.470 CN1CCCCC1CC(=O)CCO 1458a_100011216618_100015185383 [0,1,0,1,0,0|1,0,1]=4 26828 B13R1.470 COCC(C)N[C@@H]1CCCC[C@@H]1O 270004a_100015191688_100000749346 [0,1,0,1,0,0|2,0,0]=4 26829 B13R1.470 COCC(C)SC1CCCCC1O 62a_100000038908_100000765312 [0,1,0,1,0,0|2,0,0]=4 26830 B13R1.470 COCC(C)SC1CCCCC1O 62a_100000765312_100000038908 [0,1,0,1,0,0|2,0,0]=4 26831 B13R1.470 COC[C@@H](C)OC1CCCCC1O 34a_100011934205_100000038908 [0,1,0,1,0,0|2,0,0]=4 26832 B13R1.470 CSCC(C)N[C@@H]1CCCC[C@@H]1O 270004a_100015191688_100011216314 [0,1,0,1,0,0|2,0,0]=4 26833 B13R1.470 C[C@H](CCO)NC1CCCCC1F 34a_100000706166_100015423560 [0,1,0,1,0,0|2,0,0]=4 26834 B13R1.470 C[C@H](CCO)NC1CCCCC1O 34a_100000706166_100000038908 [0,1,0,1,0,0|2,0,0]=4 26835 B13R1.567 CCCC1CC(CCN1)NCCO 270004a_100000210304_100016991347 [0,1,0,1,0,0|2,0,0]=4 26836 B13R1.567 CCCCN1CCCC(C1)CCO 2230a_100000752241_100000210211 [0,1,0,1,0,0|1,0,0]=3 26837 B13R1.567 CCCCN1CCCC(C1)CCO 269982a_100000752241_100000210211 [0,1,0,1,0,0|1,0,0]=3 26838 B13R1.567 CCCCN1CCCC(C1)CCO 34a_100000752241_100000210210 [0,1,0,1,0,0|1,0,0]=3 26839 B13R1.567 CCCN1CCCC(C1)CCCO 2230a_100150707839_100000210303 [0,1,0,1,0,0|1,0,0]=3 26840 B13R1.567 CCCN1CCCC(C1)CCCO 269982a_100150707839_100000210303 [0,1,0,1,0,0|1,0,0]=3 26841 B13R1.567 CCCN1CCCC(C1)CCCO 34a_100150707839_100000210303 [0,1,0,1,0,0|1,0,0]=3 26842 B13R1.567 CCCN1CCCC(C1)NCCO 2230a_100011435248_100000211926 [0,1,0,1,0,0|2,0,0]=4 26843 B13R1.567 CCCOC1CCCN(C1)CCO 2230a_100000743837_100000211926 [0,1,0,1,0,0|2,0,0]=4 26844 B13R1.567 CCCOC1CCCN(C1)CCO 269982a_100000743837_100000211926 [0,1,0,1,0,0|2,0,0]=4 26845 B13R1.567 CCCOC1CCCN(C1)CCO 34a_100000743837_100000211926 [0,1,0,1,0,0|2,0,0]=4 26846 B13R1.567 CCOC1CCCN(C1)CCCO 2230a_100000745229_100000230001 [0,1,0,1,0,0|2,0,0]=4 26847 B13R1.567 CCOC1CCCN(C1)CCCO 269982a_100000745229_100011215043 [0,1,0,1,0,0|2,0,0]=4 26848 B13R1.567 CCOC1CCCN(C1)CCCO 34a_100000745229_100000230001 [0,1,0,1,0,0|2,0,0]=4 26849 B13R1.567 CCOCN1CCCC(C1)CCO 269982a_100000752241_100000739092 [0,1,0,1,0,0|2,0,0]=4 26850 B13R1.567 COCC1CCCN(C1)CCCO 2230a_100000755410_100000230001 [0,1,0,1,0,0|2,0,0]=4 26851 B13R1.567 COCC1CCCN(C1)CCCO 269982a_100000755410_100011215043 [0,1,0,1,0,0|2,0,0]=4 26852 B13R1.567 COCC1CCCN(C1)CCCO 34a_100000755410_100000230001 [0,1,0,1,0,0|2,0,0]=4 26853 B13R1.567 COCCC1CCCN(C1)CCO 2230a_100011653411_100000211926 [0,1,0,1,0,0|2,0,0]=4 26854 B13R1.567 COCCC1CCCN(C1)CCO 269982a_100011653411_100000211926 [0,1,0,1,0,0|2,0,0]=4 26855 B13R1.567 COCCC1CCCN(C1)CCO 34a_100011653411_100000211926 [0,1,0,1,0,0|2,0,0]=4 26856 B13R1.567 COCCN1CCCC(C1)CCO 2230a_100000752241_100011201679 [0,1,0,1,0,0|2,0,0]=4 26857 B13R1.567 COCCN1CCCC(C1)CCO 269982a_100000752241_100000233755 [0,1,0,1,0,0|2,0,0]=4 26858 B13R1.567 COCCN1CCCC(C1)CCO 34a_100000752241_100011201679 [0,1,0,1,0,0|2,0,0]=4 26859 B13R1.567 COCN1CCCC(C1)CCCO 2230a_100150707839_100000766300 [0,1,0,1,0,0|2,0,0]=4 26860 B13R1.567 COCN1CCCC(C1)CCCO 269982a_100150707839_100000766300 [0,1,0,1,0,0|2,0,0]=4 26861 B13R1.567 CSCCN1CCCC(C1)CCO 2230a_100000752241_100000751147 [0,1,0,1,0,0|2,0,0]=4 26862 B13R1.567 CSCCN1CCCC(C1)CCO 269982a_100000752241_100000212216 [0,1,0,1,0,0|2,0,0]=4 26863 B13R1.567 CSCCN1CCCC(C1)CCO 34a_100000752241_100000212216 [0,1,0,1,0,0|2,0,0]=4 26864 B13R1.567 CSCN1CCCC(C1)CCCO 2230a_100150707839_100011218213 [0,1,0,1,0,0|2,0,0]=4 26865 B13R1.567 CSCN1CCCC(C1)CCCO 269982a_100150707839_100011218213 [0,1,0,1,0,0|2,0,0]=4 26866 B13R1.567 CSCN1CCCC(C1)CCCO 34a_100150707839_100011218213 [0,1,0,1,0,0|2,0,0]=4 26867 B13R1.567 OCCC1CCCN(C1)CCCF 2230a_100000752241_100011934791 [0,1,0,1,0,0|2,0,0]=4 26868 B13R1.567 OCCC1CCCN(C1)CCCF 269982a_100000752241_100011934791 [0,1,0,1,0,0|2,0,0]=4 26869 B13R1.567 OCCC1CCCN(C1)CCCF 34a_100000752241_100011934791 [0,1,0,1,0,0|2,0,0]=4 26870 B13R1.567 OCCCC1CCCN(C1)CCF 2230a_100150707839_100011217306 [0,1,0,1,0,0|2,0,0]=4 26871 B13R1.567 OCCCC1CCCN(C1)CCF 269982a_100150707839_100011217306 [0,1,0,1,0,0|2,0,0]=4 26872 B13R1.567 OCCCC1CCCN(C1)CCF 34a_100150707839_100011217306 [0,1,0,1,0,0|2,0,0]=4 26873 B13R1.567 OCCCC1CCCN(C1)CCO 2230a_100150707839_100000211926 [0,1,0,1,0,0|2,0,0]=4 26874 B13R1.567 OCCCC1CCCN(C1)CCO 269982a_100150707839_100000211926 [0,1,0,1,0,0|2,0,0]=4 26875 B13R1.567 OCCCC1CCCN(C1)CCO 34a_100150707839_100000211926 [0,1,0,1,0,0|2,0,0]=4 26876 B13R1.567 OCCCN1CCCC(C1)CCO 2230a_100000752241_100000230001 [0,1,0,1,0,0|2,0,0]=4 26877 B13R1.567 OCCCN1CCCC(C1)CCO 269982a_100000752241_100011215043 [0,1,0,1,0,0|2,0,0]=4 26878 B13R1.567 OCCCN1CCCC(C1)CCO 34a_100000752241_100000230001 [0,1,0,1,0,0|2,0,0]=4 26879 B13R1.654 C#CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100012094781 [0,1,0,1,0,0|1,0,1]=4 26880 B13R1.654 C#CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100012094781 [0,1,0,1,0,0|1,0,1]=4 26881 B13R1.654 C#CCCCCCN1CCC[C@H]1C 2230a_100015189458_100012094781 [0,1,0,1,0,0|1,0,1]=4 26882 B13R1.654 C#CCCCCCN1CCC[C@H]1C 269982a_100015189458_100012094781 [0,1,0,1,0,0|1,0,1]=4 26883 B13R1.654 C#CCCCCCN1CCC[C@H]1C 34a_100015189458_100012094781 [0,1,0,1,0,0|1,0,1]=4 26884 B13R1.654 C#CCCCCOC1CCCC1C 34a_100011216460_100010269958 [0,1,0,1,0,0|1,0,1]=4 26885 B13R1.654 C#CCCCCOC1CCCC1C 7a_100011216460_100010269958 [0,1,0,1,0,0|1,0,1]=4 26886 B13R1.654 C#CCCCCS[C@@H]1CCC[C@H]1O 62a_100010269958_200016002552 [0,1,0,1,0,0|0,0,2]=4 26887 B13R1.654 C#CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100010269958 [0,1,0,1,0,0|0,0,2]=4 26888 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [0,1,0,1,0,0|1,0,1]=4 26889 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [0,1,0,1,0,0|1,0,1]=4 26890 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [0,1,0,1,0,0|1,0,1]=4 26891 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [0,1,0,1,0,0|1,0,1]=4 26892 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [0,1,0,1,0,0|1,0,1]=4 26893 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [0,1,0,1,0,0|1,0,1]=4 26894 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [0,1,0,1,0,0|1,0,1]=4 26895 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [0,1,0,1,0,0|1,0,1]=4 26896 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_100011215482_200016002552 [0,1,0,1,0,0|0,0,2]=4 26897 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215482 [0,1,0,1,0,0|0,0,2]=4 26898 B13R1.654 CC/C=C\CCS[C@@H]1CCC[C@H]1O 62a_100015370543_200016002552 [0,1,0,1,0,0|0,0,2]=4 26899 B13R1.654 CC/C=C\CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100015370543 [0,1,0,1,0,0|0,0,2]=4 26900 B13R1.654 CC1CCCC1NCCCCCO 269862a_100000762737_100000752053 [0,1,0,1,0,0|0,0,0]=2 26901 B13R1.654 CC1CCCC1NCCOCCO 269862a_100000211614_100000752053 [0,1,0,1,0,0|1,0,0]=3 26902 B13R1.654 CC1CCCC1NCCSCCO 269862a_100011219999_100000752053 [0,1,0,1,0,0|1,0,0]=3 26903 B13R1.654 CC1CCCC1OCCCCC#N 7a_100011216460_100000211819 [0,1,0,1,0,0|1,0,1]=4 26904 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [0,1,0,1,0,0|0,0,2]=4 26905 B13R1.654 CC1CCCC1OCCCCCF 34a_100011216460_100000729378 [0,1,0,1,0,0|1,0,0]=3 26906 B13R1.654 CC1CCCC1OCCCCCF 7a_100011216460_100000729378 [0,1,0,1,0,0|1,0,0]=3 26907 B13R1.654 CC1CCCC1OCCCCCO 34a_100011216460_100000746330 [0,1,0,1,0,0|0,0,0]=2 26908 B13R1.654 CC1CCCC1OCCCCCO 7a_100011216460_100000746330 [0,1,0,1,0,0|0,0,0]=2 26909 B13R1.654 CC1CCCC1OCCOCCO 34a_100011216460_100000692535 [0,1,0,1,0,0|1,0,0]=3 26910 B13R1.654 CC1CCCC1OCCOCCO 7a_100011216460_100011215305 [0,1,0,1,0,0|1,0,0]=3 26911 B13R1.654 CC1OCCC1NCCCCCO 270004a_100000762737_100000691750 [0,1,0,1,0,0|1,0,0]=3 26912 B13R1.654 CC1OCCC1NCCOCCO 270004a_100000211614_100000691750 [0,1,0,1,0,0|2,0,0]=4 26913 B13R1.654 CC1OCCC1NCCSCCO 270004a_100011219999_100000691750 [0,1,0,1,0,0|2,0,0]=4 26914 B13R1.654 CC1SCCN1CCCCCCF 2230a_200011216479_100015922095 [0,1,0,1,0,0|2,0,0]=4 26915 B13R1.654 CC1SCCN1CCCCCCF 269982a_200011216479_100015922095 [0,1,0,1,0,0|2,0,0]=4 26916 B13R1.654 CC1SCCN1CCCCCCF 34a_200011216479_100015922095 [0,1,0,1,0,0|2,0,0]=4 26917 B13R1.654 CC1SCCN1CCCCCCO 2230a_200011216479_100000766143 [0,1,0,1,0,0|1,0,0]=3 26918 B13R1.654 CC1SCCN1CCCCCCO 269982a_200011216479_100000766143 [0,1,0,1,0,0|1,0,0]=3 26919 B13R1.654 CC1SCCN1CCCCCCO 34a_200011216479_100000766143 [0,1,0,1,0,0|1,0,0]=3 26920 B13R1.654 CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210681 [0,1,0,1,0,0|1,0,0]=3 26921 B13R1.654 CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210681 [0,1,0,1,0,0|1,0,0]=3 26922 B13R1.654 CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210681 [0,1,0,1,0,0|1,0,0]=3 26923 B13R1.654 CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210681 [0,1,0,1,0,0|1,0,0]=3 26924 B13R1.654 CCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210614 [0,1,0,1,0,0|1,0,0]=3 26925 B13R1.654 CCCCCCCN1CCSC1C 2230a_200011216479_100000210681 [0,1,0,1,0,0|2,0,0]=4 26926 B13R1.654 CCCCCCCN1CCSC1C 269982a_200011216479_100000210681 [0,1,0,1,0,0|2,0,0]=4 26927 B13R1.654 CCCCCCCN1CCSC1C 34a_200011216479_100000210614 [0,1,0,1,0,0|2,0,0]=4 26928 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,1,0,1,0,0|0,0,2]=4 26929 B13R1.654 CCCCCCNC1CCCC1C 269862a_100000210581_100000752053 [0,1,0,1,0,0|1,0,0]=3 26930 B13R1.654 CCCCCCNC1CCOC1C 270004a_100000210581_100000691750 [0,1,0,1,0,0|2,0,0]=4 26931 B13R1.654 CCCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210314 [0,1,0,1,0,0|1,0,0]=3 26932 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,1,0,0|0,0,2]=4 26933 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,1,0,0|0,0,2]=4 26934 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,1,0,0|0,0,2]=4 26935 B13R1.654 CCCCCCOC1CCCC1C 34a_100011216460_100000210314 [0,1,0,1,0,0|1,0,0]=3 26936 B13R1.654 CCCCCCOC1CCCC1C 7a_100011216460_100000210314 [0,1,0,1,0,0|1,0,0]=3 26937 B13R1.654 CCCCCCOC1COCC1O 34a_100000210259_200000725654 [0,1,0,1,0,0|1,0,0]=3 26938 B13R1.654 CCCCCCOC1COCC1O 7a_100000210259_200000725654 [0,1,0,1,0,0|1,0,0]=3 26939 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210314 [0,1,0,1,0,0|1,0,0]=3 26940 B13R1.654 CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210314 [0,1,0,1,0,0|1,0,0]=3 26941 B13R1.654 CCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210314 [0,1,0,1,0,0|2,0,0]=4 26942 B13R1.654 CCCCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210314 [0,1,0,1,0,0|2,0,0]=4 26943 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,1,0,1,0,0|0,0,2]=4 26944 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,1,0,1,0,0|0,0,2]=4 26945 B13R1.654 CCCCCCSC1COCC1O 62a_100000210314_200000725654 [0,1,0,1,0,0|1,0,0]=3 26946 B13R1.654 CCCCCCSC1COCC1O 62a_200000725654_100000210757 [0,1,0,1,0,0|1,0,0]=3 26947 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [0,1,0,1,0,0|0,0,0]=2 26948 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [0,1,0,1,0,0|0,0,0]=2 26949 B13R1.654 CCCCCNN=C1CCCC1O 4a_100000694160_200000719330 [0,1,0,1,0,0|1,0,1]=4 26950 B13R1.654 CCCCCOCC1CCCN1C 34a_100000743107_100000718602 [0,1,0,1,0,0|2,0,0]=4 26951 B13R1.654 CCCCNCCC1CCCN1C 2230a_100000102301_100000005710 [0,1,0,1,0,0|2,0,0]=4 26952 B13R1.654 CCCCNCCC1CCCN1C 7a_106832991798_100000005710 [0,1,0,1,0,0|2,0,0]=4 26953 B13R1.654 CCCCOCCC1CCCN1C 34a_100000210227_100000005710 [0,1,0,1,0,0|2,0,0]=4 26954 B13R1.654 CCCCOCCC1CCCN1C 34a_100011215177_100000210210 [0,1,0,1,0,0|2,0,0]=4 26955 B13R1.654 CCCCOCCC1CCCN1C 7a_100000210227_100000005710 [0,1,0,1,0,0|2,0,0]=4 26956 B13R1.654 CCCCOCCC1CCCN1C 7a_100011215177_100000210211 [0,1,0,1,0,0|2,0,0]=4 26957 B13R1.654 CCCCOCCN1CCC[C@@H]1C 2230a_100020605311_100000743108 [0,1,0,1,0,0|2,0,0]=4 26958 B13R1.654 CCCCOCCN1CCC[C@@H]1C 269982a_100020605311_100000743108 [0,1,0,1,0,0|2,0,0]=4 26959 B13R1.654 CCCCOCCN1CCC[C@H]1C 2230a_100015189458_100000743108 [0,1,0,1,0,0|2,0,0]=4 26960 B13R1.654 CCCCOCCN1CCC[C@H]1C 269982a_100015189458_100000743108 [0,1,0,1,0,0|2,0,0]=4 26961 B13R1.654 CCCCOCCN1CCC[C@H]1C 34a_100015189458_100000743108 [0,1,0,1,0,0|2,0,0]=4 26962 B13R1.654 CCCCOCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011995733 [0,1,0,1,0,0|2,0,0]=4 26963 B13R1.654 CCCCOCOC1CCCC1C 34a_100011216460_100011995733 [0,1,0,1,0,0|2,0,0]=4 26964 B13R1.654 CCCCOCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011995733 [0,1,0,1,0,0|2,0,0]=4 26965 B13R1.654 CCCCOCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011995733 [0,1,0,1,0,0|2,0,0]=4 26966 B13R1.654 CCCCOCSC1COCC1O 62a_100011995733_200000725654 [0,1,0,1,0,0|2,0,0]=4 26967 B13R1.654 CCCCOCSC1COCC1O 62a_200000725654_100011995733 [0,1,0,1,0,0|2,0,0]=4 26968 B13R1.654 CCCCOCS[C@@H]1CCC[C@H]1O 62a_100011995733_200016002552 [0,1,0,1,0,0|1,0,0]=3 26969 B13R1.654 CCCCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011995733 [0,1,0,1,0,0|1,0,0]=3 26970 B13R1.654 CCCCSCCC1CCCN1C 62a_100000005710_100000210210 [0,1,0,1,0,0|2,0,0]=4 26971 B13R1.654 CCCCSCCC1CCCN1C 62a_100000210211_100000005710 [0,1,0,1,0,0|2,0,0]=4 26972 B13R1.654 CCCOCCNC1CCCC1C 269862a_100161115042_100000752053 [0,1,0,1,0,0|2,0,0]=4 26973 B13R1.654 CCCOCCNC1COCC1O 34a_100161115042_200000725654 [0,1,0,1,0,0|2,0,0]=4 26974 B13R1.654 CCCOCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011215938 [0,1,0,1,0,0|2,0,0]=4 26975 B13R1.654 CCCOCCOC1CCCC1C 34a_100011216460_100011215938 [0,1,0,1,0,0|2,0,0]=4 26976 B13R1.654 CCCOCCOC1CCCC1C 7a_100011216460_100011215938 [0,1,0,1,0,0|2,0,0]=4 26977 B13R1.654 CCCOCCOC1COCC1O 34a_100000752267_200000725654 [0,1,0,1,0,0|2,0,0]=4 26978 B13R1.654 CCCOCCOC1COCC1O 7a_100000752267_200000725654 [0,1,0,1,0,0|2,0,0]=4 26979 B13R1.654 CCCOCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215938 [0,1,0,1,0,0|2,0,0]=4 26980 B13R1.654 CCCOCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215938 [0,1,0,1,0,0|2,0,0]=4 26981 B13R1.654 CCCOCCSC1COCC1O 62a_100011215938_200000725654 [0,1,0,1,0,0|2,0,0]=4 26982 B13R1.654 CCCOCCSC1COCC1O 62a_200000725654_100011215938 [0,1,0,1,0,0|2,0,0]=4 26983 B13R1.654 CCCOCCS[C@@H]1CCC[C@H]1O 62a_100011215938_200016002552 [0,1,0,1,0,0|1,0,0]=3 26984 B13R1.654 CCCOCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215938 [0,1,0,1,0,0|1,0,0]=3 26985 B13R1.654 CCCSCCNC1CCCC1C 269862a_100020603323_100000752053 [0,1,0,1,0,0|2,0,0]=4 26986 B13R1.654 CCCSCCOC1COCC1O 34a_200000230433_200000725654 [0,1,0,1,0,0|2,0,0]=4 26987 B13R1.654 CCCSCCOC1COCC1O 7a_200000230433_200000725654 [0,1,0,1,0,0|2,0,0]=4 26988 B13R1.654 CCOCCCNC1CCCC1C 269862a_100000210961_100000752053 [0,1,0,1,0,0|2,0,0]=4 26989 B13R1.654 CCOCCCNC1COCC1O 34a_100000210961_200000725654 [0,1,0,1,0,0|2,0,0]=4 26990 B13R1.654 CCOCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100012232248 [0,1,0,1,0,0|2,0,0]=4 26991 B13R1.654 CCOCCCOC1CCCC1C 34a_100011216460_100012232248 [0,1,0,1,0,0|2,0,0]=4 26992 B13R1.654 CCOCCCOC1CCCC1C 7a_100011216460_100012232248 [0,1,0,1,0,0|2,0,0]=4 26993 B13R1.654 CCOCCCOC1COCC1O 34a_100000757476_200000725654 [0,1,0,1,0,0|2,0,0]=4 26994 B13R1.654 CCOCCCOC1COCC1O 7a_100000757476_200000725654 [0,1,0,1,0,0|2,0,0]=4 26995 B13R1.654 CCOCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012232248 [0,1,0,1,0,0|2,0,0]=4 26996 B13R1.654 CCOCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100012232248 [0,1,0,1,0,0|2,0,0]=4 26997 B13R1.654 CCOCCCSC1COCC1O 62a_100012232248_200000725654 [0,1,0,1,0,0|2,0,0]=4 26998 B13R1.654 CCOCCCSC1COCC1O 62a_200000725654_100012232248 [0,1,0,1,0,0|2,0,0]=4 26999 B13R1.654 CCOCCCS[C@@H]1CCC[C@H]1O 62a_100012232248_200016002552 [0,1,0,1,0,0|1,0,0]=3 27000 B13R1.654 CCOCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100012232248 [0,1,0,1,0,0|1,0,0]=3 27001 B13R1.654 CCSCCCOC1COCC1O 34a_100011216438_200000725654 [0,1,0,1,0,0|2,0,0]=4 27002 B13R1.654 CCSCCCOC1COCC1O 7a_100011216438_200000725654 [0,1,0,1,0,0|2,0,0]=4 27003 B13R1.654 CN1CCCC1CCNCCCF 2230a_100015189416_100000005710 [0,1,0,1,0,0|2,0,0]=4 27004 B13R1.654 CN1CCCC1CCNCCCF 34a_100015189416_100000005710 [0,1,0,1,0,0|2,0,0]=4 27005 B13R1.654 CN1CCCC1CCOCCCBr 34a_100011217188_100000005710 [0,1,0,1,0,0|2,0,0]=4 27006 B13R1.654 CN1CCCC1CCOCCCCl 34a_100000230001_100000005710 [0,1,0,1,0,0|2,0,0]=4 27007 B13R1.654 CN1CCCC1CCOCCCF 34a_100000759539_100000005710 [0,1,0,1,0,0|2,0,0]=4 27008 B13R1.654 CN1CCCC1CCOCCCF 34a_100011215177_100011934791 [0,1,0,1,0,0|2,0,0]=4 27009 B13R1.654 CN1CCCC1CCOCCCF 7a_100011215177_100011934791 [0,1,0,1,0,0|2,0,0]=4 27010 B13R1.654 CN1CCCC1CCOCCCN 34a_100000182051_100000005710 [0,1,0,1,0,0|2,0,0]=4 27011 B13R1.654 CN1CCCC1CCOCCCO 34a_100011215177_100000230001 [0,1,0,1,0,0|1,0,0]=3 27012 B13R1.654 CN1CCCC1CCOCCCO 7a_100011215177_100011215043 [0,1,0,1,0,0|1,0,0]=3 27013 B13R1.654 CN1CCCC1CCOCCON 34a_100000700252_100000005710 [0,1,0,1,0,0|2,0,0]=4 27014 B13R1.654 CN1CCCC1CCSCCCF 62a_100000005710_100011934791 [0,1,0,1,0,0|2,0,0]=4 27015 B13R1.654 CN1CCCC1CCSCCCF 62a_100011934791_100000005710 [0,1,0,1,0,0|2,0,0]=4 27016 B13R1.654 CN1CCCC1CCSCCCO 62a_100000005710_100011215043 [0,1,0,1,0,0|1,0,0]=3 27017 B13R1.654 CN1CCCC1CCSCCCO 62a_100011215043_100000005710 [0,1,0,1,0,0|1,0,0]=3 27018 B13R1.654 CN1CCCC1COCCCCF 34a_100000743107_100000729493 [0,1,0,1,0,0|2,0,0]=4 27019 B13R1.654 CN1CCCC1COCCCCO 34a_100000743107_100011216708 [0,1,0,1,0,0|1,0,0]=3 27020 B13R1.654 COCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000730899 [0,1,0,1,0,0|2,0,0]=4 27021 B13R1.654 COCCCCOC1CCCC1C 34a_100011216460_100000755781 [0,1,0,1,0,0|1,0,0]=3 27022 B13R1.654 COCCCCOC1CCCC1C 7a_100011216460_100000730899 [0,1,0,1,0,0|1,0,0]=3 27023 B13R1.654 COCCCCOC1COCC1O 34a_100000740925_200000725654 [0,1,0,1,0,0|2,0,0]=4 27024 B13R1.654 COCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000755781 [0,1,0,1,0,0|2,0,0]=4 27025 B13R1.654 COCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000755781 [0,1,0,1,0,0|2,0,0]=4 27026 B13R1.654 COCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000755781 [0,1,0,1,0,0|2,0,0]=4 27027 B13R1.654 COCCCCSC1COCC1O 62a_100000730899_200000725654 [0,1,0,1,0,0|2,0,0]=4 27028 B13R1.654 COCCCCSC1COCC1O 62a_200000725654_100000730899 [0,1,0,1,0,0|2,0,0]=4 27029 B13R1.654 COCCCCS[C@@H]1CCC[C@H]1O 62a_100000730899_200016002552 [0,1,0,1,0,0|1,0,0]=3 27030 B13R1.654 COCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000730899 [0,1,0,1,0,0|1,0,0]=3 27031 B13R1.654 COCCCOCC1CCCN1C 34a_100000743107_100000740836 [0,1,0,1,0,0|2,0,0]=4 27032 B13R1.654 COCCNCCC1CCCN1C 2230a_100000209980_100000005710 [0,1,0,1,0,0|2,0,0]=4 27033 B13R1.654 COCCOCCC1CCCN1C 34a_100000210237_100000005710 [0,1,0,1,0,0|2,0,0]=4 27034 B13R1.654 COCCOCCC1CCCN1C 34a_100011215177_100011201679 [0,1,0,1,0,0|2,0,0]=4 27035 B13R1.654 COCCOCCC1CCCN1C 7a_100011215177_100000233755 [0,1,0,1,0,0|2,0,0]=4 27036 B13R1.654 COCCOCCN1CCC[C@@H]1C 2230a_100020605311_100000695917 [0,1,0,1,0,0|2,0,0]=4 27037 B13R1.654 COCCOCCN1CCC[C@@H]1C 269982a_100020605311_100000695917 [0,1,0,1,0,0|2,0,0]=4 27038 B13R1.654 COCCOCCN1CCC[C@H]1C 2230a_100015189458_100000695917 [0,1,0,1,0,0|2,0,0]=4 27039 B13R1.654 COCCOCCN1CCC[C@H]1C 269982a_100015189458_100000695917 [0,1,0,1,0,0|2,0,0]=4 27040 B13R1.654 COCCOCCN1CCC[C@H]1C 34a_100015189458_100000695917 [0,1,0,1,0,0|2,0,0]=4 27041 B13R1.654 COCCOCS[C@@H]1CCC[C@H]1O 62a_100000231047_200016002552 [0,1,0,1,0,0|2,0,0]=4 27042 B13R1.654 COCCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000231047 [0,1,0,1,0,0|2,0,0]=4 27043 B13R1.654 COCCSCCC1CCCN1C 62a_100000005710_100000233755 [0,1,0,1,0,0|2,0,0]=4 27044 B13R1.654 COCCSCCC1CCCN1C 62a_100000233755_100000005710 [0,1,0,1,0,0|2,0,0]=4 27045 B13R1.654 CSCCCCOC1COCC1O 34a_100011217163_200000725654 [0,1,0,1,0,0|2,0,0]=4 27046 B13R1.654 CSCCCCOC1COCC1O 7a_100011217163_200000725654 [0,1,0,1,0,0|2,0,0]=4 27047 B13R1.654 C[C@@H]1CCCN1CCCCCC#N 2230a_100015189458_100009813376 [0,1,0,1,0,0|1,0,1]=4 27048 B13R1.654 C[C@@H]1CCCN1CCCCCC#N 269982a_100015189458_100009813376 [0,1,0,1,0,0|1,0,1]=4 27049 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [0,1,0,1,0,0|0,0,2]=4 27050 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [0,1,0,1,0,0|0,0,2]=4 27051 B13R1.654 C[C@@H]1CCCN1CCCCCCF 2230a_100015189458_100015922095 [0,1,0,1,0,0|1,0,0]=3 27052 B13R1.654 C[C@@H]1CCCN1CCCCCCF 269982a_100015189458_100015922095 [0,1,0,1,0,0|1,0,0]=3 27053 B13R1.654 C[C@@H]1CCCN1CCCCCCF 34a_100015189458_100015922095 [0,1,0,1,0,0|1,0,0]=3 27054 B13R1.654 C[C@@H]1CCCN1CCCCCCO 2230a_100015189458_100000766143 [0,1,0,1,0,0|0,0,0]=2 27055 B13R1.654 C[C@@H]1CCCN1CCCCCCO 269982a_100015189458_100000766143 [0,1,0,1,0,0|0,0,0]=2 27056 B13R1.654 C[C@@H]1CCCN1CCCCCCO 34a_100015189458_100000766143 [0,1,0,1,0,0|0,0,0]=2 27057 B13R1.654 C[C@@H]1CNC[C@@H]1OCCCCCF 34a_200015306588_100000729378 [0,1,0,1,0,0|2,0,0]=4 27058 B13R1.654 C[C@@H]1CNC[C@@H]1OCCCCCO 34a_200015306588_100000746330 [0,1,0,1,0,0|1,0,0]=3 27059 B13R1.654 C[C@@H]1CNC[C@@H]1OCCOCCO 34a_200015306588_100000692535 [0,1,0,1,0,0|2,0,0]=4 27060 B13R1.654 C[C@H]1CCCN1CCCCCC#N 2230a_100020605311_100009813376 [0,1,0,1,0,0|1,0,1]=4 27061 B13R1.654 C[C@H]1CCCN1CCCCCC#N 269982a_100020605311_100009813376 [0,1,0,1,0,0|1,0,1]=4 27062 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [0,1,0,1,0,0|0,0,2]=4 27063 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [0,1,0,1,0,0|0,0,2]=4 27064 B13R1.654 C[C@H]1CCCN1CCCCCCF 2230a_100020605311_100015922095 [0,1,0,1,0,0|1,0,0]=3 27065 B13R1.654 C[C@H]1CCCN1CCCCCCF 269982a_100020605311_100015922095 [0,1,0,1,0,0|1,0,0]=3 27066 B13R1.654 C[C@H]1CCCN1CCCCCCO 2230a_100020605311_100000766143 [0,1,0,1,0,0|0,0,0]=2 27067 B13R1.654 C[C@H]1CCCN1CCCCCCO 269982a_100020605311_100000766143 [0,1,0,1,0,0|0,0,0]=2 27068 B13R1.654 FCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000729378 [0,1,0,1,0,0|2,0,0]=4 27069 B13R1.654 N#CCCCCS[C@@H]1CCC[C@H]1O 62a_100011219923_200016002552 [0,1,0,1,0,0|1,0,1]=4 27070 B13R1.654 N#CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211819 [0,1,0,1,0,0|1,0,1]=4 27071 B13R1.654 NCCCCCOC1COCC1O 34a_100000762737_200000725654 [0,1,0,1,0,0|2,0,0]=4 27072 B13R1.654 N[C@H]1CCC[C@@H]1OCCCCCF 34a_100000748460_100000729378 [0,1,0,1,0,0|2,0,0]=4 27073 B13R1.654 N[C@H]1CCC[C@@H]1OCCCCCO 34a_100000748460_100000746330 [0,1,0,1,0,0|1,0,0]=3 27074 B13R1.654 N[C@H]1CCC[C@@H]1OCCOCCO 34a_100000748460_100000692535 [0,1,0,1,0,0|2,0,0]=4 27075 B13R1.654 N[C@H]1COC[C@@H]1OCCCCCO 34a_100015191717_100000746330 [0,1,0,1,0,0|2,0,0]=4 27076 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,1,0,1,0,0|1,0,1]=4 27077 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,1,0,1,0,0|1,0,1]=4 27078 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,1,0,1,0,0|1,0,1]=4 27079 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,1,0,1,0,0|1,0,1]=4 27080 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,1,0,1,0,0|1,0,1]=4 27081 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [0,1,0,1,0,0|1,0,1]=4 27082 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [0,1,0,1,0,0|1,0,1]=4 27083 B13R1.654 OC1COCC1OCCCCCBr 34a_100000746331_200000725654 [0,1,0,1,0,0|2,0,0]=4 27084 B13R1.654 OC1COCC1OCCCCCBr 7a_100000746331_200000725654 [0,1,0,1,0,0|2,0,0]=4 27085 B13R1.654 OC1COCC1OCCCCCCl 34a_100000746330_200000725654 [0,1,0,1,0,0|2,0,0]=4 27086 B13R1.654 OC1COCC1OCCCCCCl 7a_100000746330_200000725654 [0,1,0,1,0,0|2,0,0]=4 27087 B13R1.654 OC1COCC1OCCCCCI 34a_200012148887_200000725654 [0,1,0,1,0,0|2,0,0]=4 27088 B13R1.654 OC1COCC1OCCCCCI 7a_200012148887_200000725654 [0,1,0,1,0,0|2,0,0]=4 27089 B13R1.654 OC1COCC1SCCCCCF 62a_100000729378_200000725654 [0,1,0,1,0,0|2,0,0]=4 27090 B13R1.654 OC1COCC1SCCCCCF 62a_200000725654_100000729378 [0,1,0,1,0,0|2,0,0]=4 27091 B13R1.654 OCCCCCNC1COCC1O 34a_100000762737_200000725654 [0,1,0,1,0,0|2,0,0]=4 27092 B13R1.654 OCCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000746330 [0,1,0,1,0,0|2,0,0]=4 27093 B13R1.654 OCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000746330 [0,1,0,1,0,0|1,0,0]=3 27094 B13R1.654 OCCCCCSC1COCC1O 62a_100000746330_200000725654 [0,1,0,1,0,0|2,0,0]=4 27095 B13R1.654 OCCCCCSC1COCC1O 62a_200000725654_100000746330 [0,1,0,1,0,0|2,0,0]=4 27096 B13R1.654 OCCCCCS[C@@H]1CCC[C@H]1O 62a_100000746330_200016002552 [0,1,0,1,0,0|1,0,0]=3 27097 B13R1.654 OCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000746330 [0,1,0,1,0,0|1,0,0]=3 27098 B13R1.654 OCCOCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000692535 [0,1,0,1,0,0|2,0,0]=4 27099 B13R1.654 OCCOCCS[C@@H]1CCC[C@H]1O 62a_100011215305_200016002552 [0,1,0,1,0,0|2,0,0]=4 27100 B13R1.654 OCCOCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215305 [0,1,0,1,0,0|2,0,0]=4 27101 B13R1.654 O[C@@H]1CCC[C@H]1SCCCCCF 62a_100000729378_200016002552 [0,1,0,1,0,0|1,0,0]=3 27102 B13R1.654 O[C@@H]1CCC[C@H]1SCCCCCF 62a_200016002552_100000729378 [0,1,0,1,0,0|1,0,0]=3 27103 B13R1.654 O[C@H]1COC[C@@H]1NCCCCCF 2230a_100015191717_100000729378 [0,1,0,1,0,0|2,0,0]=4 27104 B13R1.657 CCCC1CCC(C1)NCCCF 270004a_100015189416_200012087856 [0,1,0,1,0,0|2,0,0]=4 27105 B13R1.657 CCCC1CCC(C1)NCCCO 270004a_100000182051_200012087856 [0,1,0,1,0,0|1,0,0]=3 27106 B13R1.657 CCCCCN1CCC(C1)CCO 2230a_100016987287_100000210326 [0,1,0,1,0,0|1,0,0]=3 27107 B13R1.657 CCCCCN1CCC(C1)CCO 269982a_100016987287_100000210215 [0,1,0,1,0,0|1,0,0]=3 27108 B13R1.657 CCCCCN1CCC(C1)CCO 34a_100016987287_100000718602 [0,1,0,1,0,0|1,0,0]=3 27109 B13R1.657 CCCCNC1CCC(C1)CCC 270004a_100000102301_200012087856 [0,1,0,1,0,0|2,0,0]=4 27110 B13R1.657 CCCOCC1CCN(C1)CCO 2230a_200011652792_100000211926 [0,1,0,1,0,0|2,0,0]=4 27111 B13R1.657 CCCOCC1CCN(C1)CCO 269982a_200011652792_100000211926 [0,1,0,1,0,0|2,0,0]=4 27112 B13R1.657 CCCOCC1CCN(C1)CCO 34a_200011652792_100000211926 [0,1,0,1,0,0|2,0,0]=4 27113 B13R1.657 CCOCCN1CCC(C1)CCO 2230a_100016987287_100011215890 [0,1,0,1,0,0|2,0,0]=4 27114 B13R1.657 CCOCCN1CCC(C1)CCO 269982a_100016987287_100011215890 [0,1,0,1,0,0|2,0,0]=4 27115 B13R1.657 CCOCCN1CCC(C1)CCO 34a_100016987287_100000210147 [0,1,0,1,0,0|2,0,0]=4 27116 B13R1.657 CCO[C@H]1CCN(C1)CCCCO 2230a_100011787710_100000210776 [0,1,0,1,0,0|2,0,0]=4 27117 B13R1.657 CCO[C@H]1CCN(C1)CCCCO 269982a_100011787710_100000210776 [0,1,0,1,0,0|2,0,0]=4 27118 B13R1.657 CCO[C@H]1CCN(C1)CCCCO 34a_100011787710_100011216708 [0,1,0,1,0,0|2,0,0]=4 27119 B13R1.657 CCSCCN1CCC(C1)CCO 2230a_100016987287_100000757381 [0,1,0,1,0,0|2,0,0]=4 27120 B13R1.657 CCSCCN1CCC(C1)CCO 269982a_100016987287_100000757381 [0,1,0,1,0,0|2,0,0]=4 27121 B13R1.657 CCSCCN1CCC(C1)CCO 34a_100016987287_100000757381 [0,1,0,1,0,0|2,0,0]=4 27122 B13R1.657 COCC1CCN(C1)CCCCO 2230a_100025706693_100000210776 [0,1,0,1,0,0|2,0,0]=4 27123 B13R1.657 COCC1CCN(C1)CCCCO 269982a_100025706693_100000210776 [0,1,0,1,0,0|2,0,0]=4 27124 B13R1.657 COCC1CCN(C1)CCCCO 34a_100025706693_100011216708 [0,1,0,1,0,0|2,0,0]=4 27125 B13R1.657 COCCCN1CCC(C1)CCO 2230a_100016987287_100000740836 [0,1,0,1,0,0|2,0,0]=4 27126 B13R1.657 COCCCN1CCC(C1)CCO 269982a_100016987287_100000740836 [0,1,0,1,0,0|2,0,0]=4 27127 B13R1.657 COCCCN1CCC(C1)CCO 34a_100016987287_100000740836 [0,1,0,1,0,0|2,0,0]=4 27128 B13R1.657 OCCC1CCN(C1)CCCCF 2230a_100016987287_100000729493 [0,1,0,1,0,0|2,0,0]=4 27129 B13R1.657 OCCC1CCN(C1)CCCCF 269982a_100016987287_100000729493 [0,1,0,1,0,0|2,0,0]=4 27130 B13R1.657 OCCC1CCN(C1)CCCCF 34a_100016987287_100000729493 [0,1,0,1,0,0|2,0,0]=4 27131 B13R1.657 OCCCCN1CCC(C1)CCO 2230a_100016987287_100000210776 [0,1,0,1,0,0|2,0,0]=4 27132 B13R1.657 OCCCCN1CCC(C1)CCO 269982a_100016987287_100000210776 [0,1,0,1,0,0|2,0,0]=4 27133 B13R1.657 OCCCCN1CCC(C1)CCO 34a_100016987287_100011216708 [0,1,0,1,0,0|2,0,0]=4 27134 B13R1.1149 CC1CCCN(CC1)CCCCF 2230a_100025706717_100000729493 [0,1,0,1,0,0|2,0,0]=4 27135 B13R1.1149 CC1CCCN(CC1)CCCCF 269982a_100025706717_100000729493 [0,1,0,1,0,0|2,0,0]=4 27136 B13R1.1149 CC1CCCN(CC1)CCCCF 34a_100025706717_100000729493 [0,1,0,1,0,0|2,0,0]=4 27137 B13R1.1149 CC1CCCN(CC1)CCCCO 2230a_100025706717_100000210776 [0,1,0,1,0,0|1,0,0]=3 27138 B13R1.1149 CC1CCCN(CC1)CCCCO 269982a_100025706717_100000210776 [0,1,0,1,0,0|1,0,0]=3 27139 B13R1.1149 CC1CCCN(CC1)CCCCO 34a_100025706717_100011216708 [0,1,0,1,0,0|1,0,0]=3 27140 B13R1.1149 CCCCCN1CCCC(CC1)C 2230a_100025706717_100000210326 [0,1,0,1,0,0|2,0,0]=4 27141 B13R1.1149 CCCCCN1CCCC(CC1)C 269982a_100025706717_100000210215 [0,1,0,1,0,0|2,0,0]=4 27142 B13R1.1149 CCCCCN1CCCC(CC1)C 34a_100025706717_100000718602 [0,1,0,1,0,0|2,0,0]=4 27143 B13R1.1149 CCCCCN1CCCC(CC1)O 2230a_100015186869_100000210326 [0,1,0,1,0,0|2,0,0]=4 27144 B13R1.1149 CCCCCN1CCCC(CC1)O 269982a_100015186869_100000210215 [0,1,0,1,0,0|2,0,0]=4 27145 B13R1.1149 CN1CCCN(CC1)CCCCO 2230a_100000211313_100000210776 [0,1,0,1,0,0|2,0,0]=4 27146 B13R1.1149 CN1CCCN(CC1)CCCCO 269982a_100000211313_100000210776 [0,1,0,1,0,0|2,0,0]=4 27147 B13R1.1149 OC1CCCN(CC1)CCCCF 2230a_100015186869_100000729493 [0,1,0,1,0,0|2,0,0]=4 27148 B13R1.1149 OC1CCCN(CC1)CCCCF 269982a_100015186869_100000729493 [0,1,0,1,0,0|2,0,0]=4 27149 B13R1.1149 OCCCCN1CCCC(CC1)O 2230a_100015186869_100000210776 [0,1,0,1,0,0|1,0,0]=3 27150 B13R1.1149 OCCCCN1CCCC(CC1)O 269982a_100015186869_100000210776 [0,1,0,1,0,0|1,0,0]=3 27151 B13R1.1464 CC(CCO)N1CCCCCCC1 2230a_100000211400_100009893172 [0,1,0,1,0,0|1,0,0]=3 27152 B13R1.1464 CC(CCO)N1CCCCCCC1 269982a_100000211400_100009893172 [0,1,0,1,0,0|1,0,0]=3 27153 B13R1.1464 CC(CCO)N1CCCCCCC1 34a_100000211400_100009893172 [0,1,0,1,0,0|1,0,0]=3 27154 B13R1.1464 CCCC(C)N1CCCCCCC1 2230a_100000211400_100000766640 [0,1,0,1,0,0|2,0,0]=4 27155 B13R1.1464 CCCC(C)N1CCCCCCC1 269982a_100000211400_100000766640 [0,1,0,1,0,0|2,0,0]=4 27156 B13R1.1464 CCCC(C)N1CCCCCCC1 270004a_100000211400_100000211909 [0,1,0,1,0,0|2,0,0]=4 27157 B13R1.1464 CCCC(C)N1CCCCCCC1 34a_100000211400_100000766640 [0,1,0,1,0,0|2,0,0]=4 27158 B13R1.1464 CCCN(C)C1CCCCCCC1 270004a_100000747261_100000210524 [0,1,0,1,0,0|2,0,0]=4 27159 B13R1.1464 CN(CCO)C1CCCCCCC1 270004a_100000210263_100000210524 [0,1,0,1,0,0|1,0,0]=3 27160 B13R1.1464 O=C(CCO)N1CCCCCCC1 240690a_100000211400_100011216618 [0,1,0,1,0,0|1,0,1]=4 27161 B13R1.1575 CC(CCBr)OC1CCCCCC1 34a_100012276601_100011217769 [0,1,0,1,0,0|2,0,0]=4 27162 B13R1.1575 CC(CCO)NC1CCCCCC1 2230a_100000210984_100009893172 [0,1,0,1,0,0|1,0,0]=3 27163 B13R1.1575 CC(CCO)NC1CCCCCC1 34a_100000210984_100009893172 [0,1,0,1,0,0|1,0,0]=3 27164 B13R1.1575 CC(CCO)OC1CCCCCC1 34a_100000210887_100009893172 [0,1,0,1,0,0|1,0,0]=3 27165 B13R1.1575 CC(CCO)OC1CCCCCC1 7a_100000210887_100009893172 [0,1,0,1,0,0|1,0,0]=3 27166 B13R1.1575 CC(CCO)SC1CCCCCC1 62a_100009893172_100011217769 [0,1,0,1,0,0|1,0,0]=3 27167 B13R1.1575 CC(CCO)SC1CCCCCC1 62a_100011217769_100009893172 [0,1,0,1,0,0|1,0,0]=3 27168 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,1,0,1,0,0|1,0,1]=4 27169 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,1,0,1,0,0|1,0,1]=4 27170 B13R1.1575 CCCC(C)CN1CCCCCC1 2230a_100000185865_100011216630 [0,1,0,1,0,0|2,0,0]=4 27171 B13R1.1575 CCCC(C)CN1CCCCCC1 269982a_100000185865_100011216630 [0,1,0,1,0,0|2,0,0]=4 27172 B13R1.1575 CCCC(C)CN1CCCCCC1 270004a_100000185865_100000243154 [0,1,0,1,0,0|2,0,0]=4 27173 B13R1.1575 CCCC(C)CN1CCCCCC1 34a_100000185865_100011216630 [0,1,0,1,0,0|2,0,0]=4 27174 B13R1.1575 CCCC(C)NC1CCCCCC1 2230a_100000210984_100000766640 [0,1,0,1,0,0|2,0,0]=4 27175 B13R1.1575 CCCC(C)NC1CCCCCC1 270004a_100000210984_100000211909 [0,1,0,1,0,0|2,0,0]=4 27176 B13R1.1575 CCCC(C)NC1CCCCCC1 270004a_100000741246_100000210131 [0,1,0,1,0,0|2,0,0]=4 27177 B13R1.1575 CCCC(C)NC1CCCCCC1 34a_100000210984_100000766640 [0,1,0,1,0,0|2,0,0]=4 27178 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000210887_100000766640 [0,1,0,1,0,0|2,0,0]=4 27179 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000764384_100011217769 [0,1,0,1,0,0|2,0,0]=4 27180 B13R1.1575 CCCC(C)OC1CCCCCC1 7a_100000210887_100000766640 [0,1,0,1,0,0|2,0,0]=4 27181 B13R1.1575 CCCC(C)SC1CCCCCC1 62a_100000766640_100011217769 [0,1,0,1,0,0|2,0,0]=4 27182 B13R1.1575 CCCC(C)SC1CCCCCC1 62a_100011217769_100000766640 [0,1,0,1,0,0|2,0,0]=4 27183 B13R1.1575 CCCN(C)CC1CCCCCC1 2230a_100000747261_200000696569 [0,1,0,1,0,0|2,0,0]=4 27184 B13R1.1575 CCCN(C)CC1CCCCCC1 269982a_100000747261_200000696569 [0,1,0,1,0,0|2,0,0]=4 27185 B13R1.1575 CN(CCO)CC1CCCCCC1 2230a_100000210263_200000696569 [0,1,0,1,0,0|1,0,0]=3 27186 B13R1.1575 CN(CCO)CC1CCCCCC1 269982a_100000210263_200000696569 [0,1,0,1,0,0|1,0,0]=3 27187 B13R1.1575 C[C@H](CCO)NC1CCCCCC1 270004a_100000706166_100000210131 [0,1,0,1,0,0|1,0,0]=3 27188 B13R1.1575 C[C@H](CCO)NC1CCCCCC1 34a_100000706166_100011217769 [0,1,0,1,0,0|1,0,0]=3 27189 B13R1.1575 C[C@H](CCO)NC1CCCNCC1 270004a_100000706166_100015187895 [0,1,0,1,0,0|2,0,0]=4 27190 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,1,0,1,0,0|1,0,1]=4 27191 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,1,0,1,0,0|0,0,1]=3 27192 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,1,0,1,0,0|0,0,1]=3 27193 B13R1.1575 O=C(CCO)CN1CCCCCC1 1458a_100000740298_100000211926 [0,1,0,1,0,0|1,0,1]=4 27194 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [0,1,0,1,0,0|1,0,1]=4 27195 B13R1.1650 CC1CN(CCCN1CCCO)C 269982a_100011935175_100011215043 [0,1,0,1,0,0|2,0,0]=4 27196 B13R1.1892 CCOC1CN(C1)CCCCCO 269982a_100000732654_100000746330 [0,1,0,1,0,0|2,0,0]=4 27197 B13R1.1892 CCOC1CN(C1)CCCCCO 34a_100000732654_100000746330 [0,1,0,1,0,0|2,0,0]=4 27198 B13R1.1892 COCC1CC(C1)NCCCCO 2230a_100012180050_100000210776 [0,1,0,1,0,0|2,0,0]=4 27199 B13R1.1892 COCC1CC(C1)NCCCCO 270004a_100000750430_100010371266 [0,1,0,1,0,0|2,0,0]=4 27200 B13R1.1892 COCC1CN(C1)CCCCCO 2230a_100016993750_100000746330 [0,1,0,1,0,0|2,0,0]=4 27201 B13R1.1892 COCC1CN(C1)CCCCCO 269982a_100016993750_100000746330 [0,1,0,1,0,0|2,0,0]=4 27202 B13R1.1892 COCC1CN(C1)CCCCCO 34a_100016993750_100000746330 [0,1,0,1,0,0|2,0,0]=4 27203 B13R1.3151 CC(NCCCCCCF)C1CC1 2230a_100000700016_100015922095 [0,1,0,1,0,0|2,0,0]=4 27204 B13R1.3151 CC(NCCCCCCF)C1CC1 34a_100000700016_100015922095 [0,1,0,1,0,0|2,0,0]=4 27205 B13R1.3151 CC(NCCCCCCO)C1CC1 2230a_100000700016_100000766143 [0,1,0,1,0,0|1,0,0]=3 27206 B13R1.3151 CC(NCCCCCCO)C1CC1 269862a_100000686447_100000210639 [0,1,0,1,0,0|1,0,0]=3 27207 B13R1.3151 CC(NCCCCCCO)C1CC1 34a_100000700016_100000766143 [0,1,0,1,0,0|1,0,0]=3 27208 B13R1.3151 CC(NCCCCCCO)C1CO1 270004a_100000686447_100000031964 [0,1,0,1,0,0|2,0,0]=4 27209 B13R1.3151 CC(OCCCCCCF)C1CC1 34a_100000744524_100015922095 [0,1,0,1,0,0|2,0,0]=4 27210 B13R1.3151 CC(OCCCCCCF)C1CC1 7a_100000744524_100015922095 [0,1,0,1,0,0|2,0,0]=4 27211 B13R1.3151 CC(OCCCCCCO)C1CC1 34a_100000744524_100000766143 [0,1,0,1,0,0|1,0,0]=3 27212 B13R1.3151 CC(OCCCCCCO)C1CC1 7a_100000744524_100000766143 [0,1,0,1,0,0|1,0,0]=3 27213 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [0,1,0,1,0,0|1,0,1]=4 27214 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [0,1,0,1,0,0|0,0,1]=3 27215 B13R1.3151 CCCCCCCCN(C)C1CC1 2230a_100000226674_100000210759 [0,1,0,1,0,0|2,0,0]=4 27216 B13R1.3151 CCCCCCCCN(C)C1CC1 269982a_100000207567_100000211595 [0,1,0,1,0,0|2,0,0]=4 27217 B13R1.3151 CCCCCCCCN(C)C1CC1 269982a_100000226674_100000210759 [0,1,0,1,0,0|2,0,0]=4 27218 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 27219 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 27220 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 27221 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 27222 B13R1.3151 CCCCCCCNC(C)C1CC1 2230a_100000700016_100000210681 [0,1,0,1,0,0|2,0,0]=4 27223 B13R1.3151 CCCCCCCNC(C)C1CC1 269862a_100000229938_100000210639 [0,1,0,1,0,0|2,0,0]=4 27224 B13R1.3151 CCCCCCCNC(C)C1CC1 34a_100000700016_100000210614 [0,1,0,1,0,0|2,0,0]=4 27225 B13R1.3151 CCCCCCCNC(C)C1CO1 270004a_100000229938_100000031964 [0,1,0,1,0,0|1,0,0]=3 27226 B13R1.3151 CCCCCCCOC(C)C1CC1 34a_100000744524_100000210614 [0,1,0,1,0,0|2,0,0]=4 27227 B13R1.3151 CCCCCCCOC(C)C1CC1 7a_100000744524_100000210614 [0,1,0,1,0,0|2,0,0]=4 27228 B13R1.3151 CCCCCCNCC(O)C1CC1 2230a_100000751198_100000210314 [0,1,0,1,0,0|2,0,0]=4 27229 B13R1.3151 CCCCCCNCC(O)C1CC1 34a_100000751198_100000210314 [0,1,0,1,0,0|2,0,0]=4 27230 B13R1.3151 CCCCCCOC[C@H](N)C1CC1 34a_100020623730_100000210314 [0,1,0,1,0,0|2,0,0]=4 27231 B13R1.3151 CCCCSCCNC(C)C1CO1 270004a_100025743550_100000031964 [0,1,0,1,0,0|2,0,0]=4 27232 B13R1.3151 CCCOCCCNC(C)C1CO1 270004a_100011217757_100000031964 [0,1,0,1,0,0|2,0,0]=4 27233 B13R1.3151 CN(CCCCCCCO)C1CC1 2230a_100000226674_100000760002 [0,1,0,1,0,0|1,0,0]=3 27234 B13R1.3151 CN(CCCCCCCO)C1CC1 269982a_100000226674_100000760002 [0,1,0,1,0,0|1,0,0]=3 27235 B13R1.3151 COCCCCCCC(=O)C1CO1 1458a_100000701028_100011998445 [0,1,0,1,0,0|1,0,1]=4 27236 B13R1.3151 COCCCCCNC(C)C1CO1 270004a_100000747528_100000031964 [0,1,0,1,0,0|2,0,0]=4 27237 B13R1.3151 N[C@@H](COCCCCCF)C1CC1 34a_100020623730_100000729378 [0,1,0,1,0,0|2,0,0]=4 27238 B13R1.3151 N[C@@H](COCCCCCO)C1CC1 34a_100020623730_100000746330 [0,1,0,1,0,0|1,0,0]=3 27239 B13R1.3151 N[C@@H](COCCOCCO)C1CC1 34a_100020623730_100000692535 [0,1,0,1,0,0|2,0,0]=4 27240 B13R1.3151 O=C(CCCCCCCO)C1CC1 1458a_100000210395_100000760002 [0,1,0,1,0,0|0,0,1]=3 27241 B13R1.3151 O=C(CCCCCCCO)C1CO1 1458a_100000701028_100000760002 [0,1,0,1,0,0|1,0,1]=4 27242 B13R1.3151 O=C(CNCCCCCO)C1CC1 2230a_100000762737_100000746382 [0,1,0,1,0,0|1,0,1]=4 27243 B13R1.3151 O=C(CNCCCCCO)C1CC1 34a_100000762737_100000746382 [0,1,0,1,0,0|1,0,1]=4 27244 B13R1.3151 O=C(COCCCCCO)C1CC1 34a_100000686663_100000746330 [0,1,0,1,0,0|1,0,1]=4 27245 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746330_100000746382 [0,1,0,1,0,0|1,0,1]=4 27246 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746382_100000746330 [0,1,0,1,0,0|1,0,1]=4 27247 B13R1.3151 O=C(NCCCCCCO)C1CC1 240690a_100000686447_100000210395 [0,1,0,1,0,0|1,0,1]=4 27248 B13R1.3151 O=C(NCCCCCCO)C1CC1 527a_100000686447_100000210395 [0,1,0,1,0,0|1,0,1]=4 27249 B13R1.3151 OC(CNCCCCCF)C1CC1 2230a_100000751198_100000729378 [0,1,0,1,0,0|2,0,0]=4 27250 B13R1.3151 OC(CNCCCCCF)C1CC1 34a_100000751198_100000729378 [0,1,0,1,0,0|2,0,0]=4 27251 B13R1.3151 OCCCCCNCC(O)C1CC1 2230a_100000751198_100000746330 [0,1,0,1,0,0|1,0,0]=3 27252 B13R1.3151 OCCCCCNCC(O)C1CC1 34a_100000751198_100000746330 [0,1,0,1,0,0|1,0,0]=3 27253 B13R1.3151 OCCOCCNCC(O)C1CC1 2230a_100000751198_100011215305 [0,1,0,1,0,0|2,0,0]=4 27254 B13R1.3151 OCCOCCNCC(O)C1CC1 34a_100000751198_100000692535 [0,1,0,1,0,0|2,0,0]=4 27255 B13R1.3673 CC1(CCC1)CNCCCCCF 2230a_100000706607_100000729378 [0,1,0,1,0,0|2,0,0]=4 27256 B13R1.3673 CC1(CCC1)CNCCCCCO 2230a_100000706607_100000746330 [0,1,0,1,0,0|1,0,0]=3 27257 B13R1.3673 CC1(CCC1)CNCCCCCO 2230a_100000762737_100000726658 [0,1,0,1,0,0|1,0,0]=3 27258 B13R1.3673 CC1(CCC1)CNCCCCCO 34a_100000762737_100000726658 [0,1,0,1,0,0|1,0,0]=3 27259 B13R1.3673 CC1(CCC1)CNCCOCCO 2230a_100000211614_100000726658 [0,1,0,1,0,0|2,0,0]=4 27260 B13R1.3673 CC1(CCC1)CNCCOCCO 2230a_100000706607_100011215305 [0,1,0,1,0,0|2,0,0]=4 27261 B13R1.3673 CC1(CCC1)CNCCOCCO 34a_100000211614_100000726658 [0,1,0,1,0,0|2,0,0]=4 27262 B13R1.3673 CC1(CCC1)CNCCSCCO 2230a_100011219999_100000726658 [0,1,0,1,0,0|2,0,0]=4 27263 B13R1.3673 CC1(CCC1)COCCCCCBr 34a_100000746331_100000726658 [0,1,0,1,0,0|2,0,0]=4 27264 B13R1.3673 CC1(CCC1)COCCCCCBr 7a_100000746331_100000726658 [0,1,0,1,0,0|2,0,0]=4 27265 B13R1.3673 CC1(CCC1)COCCCCCCl 34a_100000746330_100000726658 [0,1,0,1,0,0|2,0,0]=4 27266 B13R1.3673 CC1(CCC1)COCCCCCCl 7a_100000746330_100000726658 [0,1,0,1,0,0|2,0,0]=4 27267 B13R1.3673 CC1(CCC1)COCCCCCI 34a_200012148887_100000726658 [0,1,0,1,0,0|2,0,0]=4 27268 B13R1.3673 CC1(CCC1)COCCCCCI 7a_200012148887_100000726658 [0,1,0,1,0,0|2,0,0]=4 27269 B13R1.3673 CC1(CCC1)COCCCCCN 34a_100000762737_100000726658 [0,1,0,1,0,0|2,0,0]=4 27270 B13R1.3673 CC1(CCC1)CSCCCCCF 62a_100000726658_100000729378 [0,1,0,1,0,0|2,0,0]=4 27271 B13R1.3673 CC1(CCC1)CSCCCCCF 62a_100000729378_100000726658 [0,1,0,1,0,0|2,0,0]=4 27272 B13R1.3673 CC1(CCC1)CSCCCCCO 62a_100000726658_100000746330 [0,1,0,1,0,0|1,0,0]=3 27273 B13R1.3673 CC1(CCC1)CSCCCCCO 62a_100000746330_100000726658 [0,1,0,1,0,0|1,0,0]=3 27274 B13R1.3673 CC1(CCC1)CSCCOCCO 62a_100000726658_100011215305 [0,1,0,1,0,0|2,0,0]=4 27275 B13R1.3673 CC1(CCC1)CSCCOCCO 62a_100011215305_100000726658 [0,1,0,1,0,0|2,0,0]=4 27276 B13R1.3673 CC1(CCC1)NCCCCCCF 2230a_100000692455_100015922095 [0,1,0,1,0,0|2,0,0]=4 27277 B13R1.3673 CC1(CCC1)NCCCCCCF 34a_100000692455_100015922095 [0,1,0,1,0,0|2,0,0]=4 27278 B13R1.3673 CC1(CCC1)NCCCCCCO 2230a_100000692455_100000766143 [0,1,0,1,0,0|1,0,0]=3 27279 B13R1.3673 CC1(CCC1)NCCCCCCO 34a_100000692455_100000766143 [0,1,0,1,0,0|1,0,0]=3 27280 B13R1.3673 CC1(CCC1)OCCCCCCF 34a_100000759064_100015922095 [0,1,0,1,0,0|2,0,0]=4 27281 B13R1.3673 CC1(CCC1)OCCCCCCF 7a_100000759064_100015922095 [0,1,0,1,0,0|2,0,0]=4 27282 B13R1.3673 CC1(CCC1)OCCCCCCO 34a_100000759064_100000766143 [0,1,0,1,0,0|1,0,0]=3 27283 B13R1.3673 CC1(CCC1)OCCCCCCO 7a_100000759064_100000766143 [0,1,0,1,0,0|1,0,0]=3 27284 B13R1.3673 CC1(COC1)CNCCCCCO 2230a_100000762737_100000066812 [0,1,0,1,0,0|2,0,0]=4 27285 B13R1.3673 CC1(COC1)CNCCCCCO 2230a_100020631278_100000746330 [0,1,0,1,0,0|2,0,0]=4 27286 B13R1.3673 CC1(COC1)CNCCCCCO 269862a_100000762737_100000050806 [0,1,0,1,0,0|2,0,0]=4 27287 B13R1.3673 CC1(COC1)CNCCCCCO 34a_100000762737_100009817586 [0,1,0,1,0,0|2,0,0]=4 27288 B13R1.3673 CC1(COC1)CSCCCCCO 62a_100000746330_100009817586 [0,1,0,1,0,0|2,0,0]=4 27289 B13R1.3673 CC1(COC1)CSCCCCCO 62a_100009817586_100000746330 [0,1,0,1,0,0|2,0,0]=4 27290 B13R1.3673 CC1(COC1)NCCCCCCO 2230a_100000732644_100000766143 [0,1,0,1,0,0|2,0,0]=4 27291 B13R1.3673 CC1(CSC1)COCCCCCO 34a_100000732658_100000746330 [0,1,0,1,0,0|2,0,0]=4 27292 B13R1.3673 CC1(CSC1)COCCCCCO 7a_100000732658_100000746330 [0,1,0,1,0,0|2,0,0]=4 27293 B13R1.3673 CC1(CSC1)OCCCCCCO 7a_100016018533_100000766143 [0,1,0,1,0,0|2,0,0]=4 27294 B13R1.3673 CCCCCCCNC1(CCC1)C 2230a_100000692455_100000210681 [0,1,0,1,0,0|2,0,0]=4 27295 B13R1.3673 CCCCCCCNC1(CCC1)C 34a_100000692455_100000210614 [0,1,0,1,0,0|2,0,0]=4 27296 B13R1.3673 CCCCCCCOC1(CCC1)C 34a_100000759064_100000210614 [0,1,0,1,0,0|2,0,0]=4 27297 B13R1.3673 CCCCCCCOC1(CCC1)C 7a_100000759064_100000210614 [0,1,0,1,0,0|2,0,0]=4 27298 B13R1.3673 CCCCCCNCC1(CCC1)C 2230a_100000210581_100000726658 [0,1,0,1,0,0|2,0,0]=4 27299 B13R1.3673 CCCCCCNCC1(CCC1)C 2230a_100000706607_100000210314 [0,1,0,1,0,0|2,0,0]=4 27300 B13R1.3673 CCCCCCNCC1(CCC1)O 2230a_100000752638_100000210314 [0,1,0,1,0,0|2,0,0]=4 27301 B13R1.3673 CCCCCCOCC1(CCC1)C 34a_100000210259_100000726658 [0,1,0,1,0,0|2,0,0]=4 27302 B13R1.3673 CCCCCCOCC1(CCC1)C 7a_100000210259_100000726658 [0,1,0,1,0,0|2,0,0]=4 27303 B13R1.3673 CCCCCCSCC1(CCC1)C 62a_100000210314_100000726658 [0,1,0,1,0,0|2,0,0]=4 27304 B13R1.3673 CCCCCCSCC1(CCC1)C 62a_100000726658_100000210757 [0,1,0,1,0,0|2,0,0]=4 27305 B13R1.3673 OC1(CCC1)CNCCCCCF 2230a_100000752638_100000729378 [0,1,0,1,0,0|2,0,0]=4 27306 B13R1.3673 OCCCCCNCC1(CCC1)O 2230a_100000752638_100000746330 [0,1,0,1,0,0|1,0,0]=3 27307 B13R1.3673 OCCCCCNCC1(COC1)O 2230a_100010264505_100000746330 [0,1,0,1,0,0|2,0,0]=4 27308 B13R1.3673 OCCOCCNCC1(CCC1)O 2230a_100000752638_100011215305 [0,1,0,1,0,0|2,0,0]=4 27309 B13R1.28 BrCCCCCOC1CCCCC1 34a_100000746331_100000210327 [0,1,0,1,0,0|1,0,0]=3 27310 B13R1.28 BrCCCCCOC1CCCCC1 7a_100000746331_100000210327 [0,1,0,1,0,0|1,0,0]=3 27311 B13R1.28 BrCCCCCOC1CCCOC1 34a_100000746331_100000693364 [0,1,0,1,0,0|2,0,0]=4 27312 B13R1.28 BrCCCCCOC1CCCOC1 7a_100000746331_100000693364 [0,1,0,1,0,0|2,0,0]=4 27313 B13R1.28 BrCCCCCOC1CCOCC1 7a_100000746331_100000686592 [0,1,0,1,0,0|2,0,0]=4 27314 B13R1.28 BrCCCCCOC1CCSCC1 34a_100000746331_100000069128 [0,1,0,1,0,0|2,0,0]=4 27315 B13R1.28 BrCCCCCOC1CCSCC1 7a_100000746331_100011500858 [0,1,0,1,0,0|2,0,0]=4 27316 B13R1.28 BrCCCCOCC1CCCCC1 34a_100011216708_100000211423 [0,1,0,1,0,0|1,0,0]=3 27317 B13R1.28 BrCCCCOCC1CCCCO1 34a_100011216708_100000211543 [0,1,0,1,0,0|1,0,0]=3 27318 B13R1.28 BrCCCCOCC1CCCOC1 34a_100011216708_100000741521 [0,1,0,1,0,0|2,0,0]=4 27319 B13R1.28 BrCCCCOCC1CCOCC1 34a_100011216708_100000754603 [0,1,0,1,0,0|2,0,0]=4 27320 B13R1.28 BrCCCOCCC1CCCCC1 34a_100011217188_100011209188 [0,1,0,1,0,0|1,0,0]=3 27321 B13R1.28 BrCCCOCCC1CCOCC1 34a_100011217188_100011934994 [0,1,0,1,0,0|2,0,0]=4 27322 B13R1.28 BrCCCOCCC1OCCCO1 34a_100011217188_100000764188 [0,1,0,1,0,0|2,0,0]=4 27323 B13R1.28 BrCCCOCCN1CCCCC1 34a_100011217188_100000739454 [0,1,0,1,0,0|2,0,0]=4 27324 B13R1.28 BrCCCOCOC1CCCCC1 34a_100011217188_100011935260 [0,1,0,1,0,0|2,0,0]=4 27325 B13R1.28 BrCCOCCCC1CCCCC1 34a_100000211926_100011713725 [0,1,0,1,0,0|1,0,0]=3 27326 B13R1.28 BrCCOCCCN1CCCCC1 34a_100000211926_100000690320 [0,1,0,1,0,0|2,0,0]=4 27327 B13R1.28 BrCCOCCOC1CCCCC1 34a_100000211926_100011211530 [0,1,0,1,0,0|2,0,0]=4 27328 B13R1.28 BrCCOCCOC1CCCCC1 34a_100000692535_100000210327 [0,1,0,1,0,0|2,0,0]=4 27329 B13R1.28 BrCCOCCOC1CCCCC1 7a_100000692535_100000210327 [0,1,0,1,0,0|2,0,0]=4 27330 B13R1.28 BrCCOCCOC1CCCCO1 34a_100000211926_100000744793 [0,1,0,1,0,0|2,0,0]=4 27331 B13R1.28 C#CCCCCNC1CCCCC1 2230a_100000182618_100010269958 [0,1,0,1,0,0|1,0,1]=4 27332 B13R1.28 C#CCCCCNC1CCCCC1 34a_100000182618_100010269958 [0,1,0,1,0,0|1,0,1]=4 27333 B13R1.28 C#CCCCCNC1CCCCC1 34a_100000706060_100000210327 [0,1,0,1,0,0|1,0,1]=4 27334 B13R1.28 C#CCCCCOC1CCCCC1 34a_100000210231_100010269958 [0,1,0,1,0,0|1,0,1]=4 27335 B13R1.28 C#CCCCCOC1CCCCC1 34a_100000766709_100000210327 [0,1,0,1,0,0|1,0,1]=4 27336 B13R1.28 C#CCCCCOC1CCCCC1 7a_100000210231_100010269958 [0,1,0,1,0,0|1,0,1]=4 27337 B13R1.28 C#CCCCCOC1CCCCC1 7a_100000766709_100000210327 [0,1,0,1,0,0|1,0,1]=4 27338 B13R1.28 C#CCCCCOC1CCCCO1 34a_100000033831_100010269958 [0,1,0,1,0,0|0,0,2]=4 27339 B13R1.28 C#CCCCCSC1CCCCC1 62a_100000210327_100010269958 [0,1,0,1,0,0|1,0,1]=4 27340 B13R1.28 C#CCCCCSC1CCCCC1 62a_100010269958_100000210327 [0,1,0,1,0,0|1,0,1]=4 27341 B13R1.28 C#CCCCNCC1CCCCC1 2230a_100000210473_100000731252 [0,1,0,1,0,0|1,0,1]=4 27342 B13R1.28 C#CCCCNCC1CCCCC1 34a_100000210473_100000695029 [0,1,0,1,0,0|1,0,1]=4 27343 B13R1.28 C#CCCCNCC1CCCCC1 34a_100000718082_100000211423 [0,1,0,1,0,0|1,0,1]=4 27344 B13R1.28 C#CCCCNCC1CCCCO1 2230a_100000174945_100000731252 [0,1,0,1,0,0|0,0,2]=4 27345 B13R1.28 C#CCCCNCC1CCCCO1 34a_100000174945_100000695029 [0,1,0,1,0,0|0,0,2]=4 27346 B13R1.28 C#CCCCNCC1CCCCO1 34a_100000718082_100000211543 [0,1,0,1,0,0|0,0,2]=4 27347 B13R1.28 C#CCCCOCC1CCCCC1 34a_100000212181_100000695029 [0,1,0,1,0,0|1,0,1]=4 27348 B13R1.28 C#CCCCOCC1CCCCC1 34a_100000215630_100000211423 [0,1,0,1,0,0|1,0,1]=4 27349 B13R1.28 C#CCCCOCC1CCCCC1 7a_100000212181_100011215417 [0,1,0,1,0,0|1,0,1]=4 27350 B13R1.28 C#CCCCOCC1CCCCC1 7a_100000215630_100000211423 [0,1,0,1,0,0|1,0,1]=4 27351 B13R1.28 C#CCCCOCC1CCCCO1 34a_100000211370_100000695029 [0,1,0,1,0,0|0,0,2]=4 27352 B13R1.28 C#CCCCOCC1CCCCO1 34a_100000215630_100000211543 [0,1,0,1,0,0|0,0,2]=4 27353 B13R1.28 C#CCCCOCC1CCCCO1 7a_100000211370_100011215417 [0,1,0,1,0,0|0,0,2]=4 27354 B13R1.28 C#CCCCOCC1CCCCO1 7a_100000215630_100000211543 [0,1,0,1,0,0|0,0,2]=4 27355 B13R1.28 C#CCCCSCC1CCCCC1 62a_100000211423_100011215417 [0,1,0,1,0,0|1,0,1]=4 27356 B13R1.28 C#CCCCSCC1CCCCC1 62a_100011215417_100000211423 [0,1,0,1,0,0|1,0,1]=4 27357 B13R1.28 C#CCCCSCC1CCCCO1 62a_100000211543_100011215417 [0,1,0,1,0,0|0,0,2]=4 27358 B13R1.28 C#CCCCSCC1CCCCO1 62a_100011215417_100000211543 [0,1,0,1,0,0|0,0,2]=4 27359 B13R1.28 C#CCCNCCC1CCCCC1 2230a_100000738074_100000688953 [0,1,0,1,0,0|1,0,1]=4 27360 B13R1.28 C#CCCNCCC1CCCCC1 34a_100000738074_100000688953 [0,1,0,1,0,0|1,0,1]=4 27361 B13R1.28 C#CCCNCCC1CCCCC1 34a_100000755551_100011209188 [0,1,0,1,0,0|1,0,1]=4 27362 B13R1.28 C#CCCNCCC1CCCCO1 2230a_100015183643_100000688953 [0,1,0,1,0,0|0,0,2]=4 27363 B13R1.28 C#CCCNCCC1CCCCO1 34a_100015183643_100000688953 [0,1,0,1,0,0|0,0,2]=4 27364 B13R1.28 C#CCCOCCC1CCCCC1 34a_100011215631_100011209188 [0,1,0,1,0,0|1,0,1]=4 27365 B13R1.28 C#CCCOCCC1CCCCC1 34a_100011217863_100000688953 [0,1,0,1,0,0|1,0,1]=4 27366 B13R1.28 C#CCCOCCC1CCCCC1 7a_100011217863_100000688953 [0,1,0,1,0,0|1,0,1]=4 27367 B13R1.28 C#CCCSCCC1CCCCC1 62a_100000688953_100012355289 [0,1,0,1,0,0|1,0,1]=4 27368 B13R1.28 C#CCCSCCC1CCCCC1 62a_100012355289_100000688953 [0,1,0,1,0,0|1,0,1]=4 27369 B13R1.28 C#CCNCCCC1CCCCC1 2230a_100011211642_100000038162 [0,1,0,1,0,0|1,0,1]=4 27370 B13R1.28 C#CCNCCCC1CCCCC1 34a_100000212058_100011713725 [0,1,0,1,0,0|1,0,1]=4 27371 B13R1.28 C#CCNCCCC1CCCCC1 34a_100011211642_100000184674 [0,1,0,1,0,0|1,0,1]=4 27372 B13R1.28 C#CCOCCCC1CCCCC1 34a_100000198086_100000184674 [0,1,0,1,0,0|1,0,1]=4 27373 B13R1.28 C#CCOCCCC1CCCCC1 34a_100000210247_100011713725 [0,1,0,1,0,0|1,0,1]=4 27374 B13R1.28 C#CCOCCCC1CCCCC1 7a_100000198086_100000038162 [0,1,0,1,0,0|1,0,1]=4 27375 B13R1.28 C#CCSCCCC1CCCCC1 62a_100000038162_100011713725 [0,1,0,1,0,0|1,0,1]=4 27376 B13R1.28 C/C=C/CCOCC1CCCCO1 34a_100016278192_100000211543 [0,1,0,1,0,0|0,0,2]=4 27377 B13R1.28 C/C=C/CNCCC1CCCCO1 34a_100015183643_100102629194 [0,1,0,1,0,0|0,0,2]=4 27378 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [0,1,0,1,0,0|1,0,1]=4 27379 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [0,1,0,1,0,0|1,0,1]=4 27380 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [0,1,0,1,0,0|1,0,1]=4 27381 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [0,1,0,1,0,0|1,0,1]=4 27382 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [0,1,0,1,0,0|1,0,1]=4 27383 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [0,1,0,1,0,0|1,0,1]=4 27384 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [0,1,0,1,0,0|1,0,1]=4 27385 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [0,1,0,1,0,0|1,0,1]=4 27386 B13R1.28 C=CCCCCOC1CCCCO1 34a_100000033831_100011215482 [0,1,0,1,0,0|0,0,2]=4 27387 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [0,1,0,1,0,0|1,0,1]=4 27388 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [0,1,0,1,0,0|1,0,1]=4 27389 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [0,1,0,1,0,0|1,0,1]=4 27390 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [0,1,0,1,0,0|1,0,1]=4 27391 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [0,1,0,1,0,0|1,0,1]=4 27392 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [0,1,0,1,0,0|1,0,1]=4 27393 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [0,1,0,1,0,0|1,0,1]=4 27394 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000174945_100011713584 [0,1,0,1,0,0|0,0,2]=4 27395 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000700776_100000211543 [0,1,0,1,0,0|0,0,2]=4 27396 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000174945_100000757094 [0,1,0,1,0,0|0,0,2]=4 27397 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000700776_100000211543 [0,1,0,1,0,0|0,0,2]=4 27398 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [0,1,0,1,0,0|1,0,1]=4 27399 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [0,1,0,1,0,0|1,0,1]=4 27400 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [0,1,0,1,0,0|1,0,1]=4 27401 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [0,1,0,1,0,0|1,0,1]=4 27402 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000211370_100000757094 [0,1,0,1,0,0|0,0,2]=4 27403 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000758997_100000211543 [0,1,0,1,0,0|0,0,2]=4 27404 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000211370_100000757094 [0,1,0,1,0,0|0,0,2]=4 27405 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000758997_100000211543 [0,1,0,1,0,0|0,0,2]=4 27406 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [0,1,0,1,0,0|1,0,1]=4 27407 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [0,1,0,1,0,0|1,0,1]=4 27408 B13R1.28 C=CCCCSCC1CCCCO1 62a_100000211543_100000757094 [0,1,0,1,0,0|0,0,2]=4 27409 B13R1.28 C=CCCCSCC1CCCCO1 62a_100011713584_100000211543 [0,1,0,1,0,0|0,0,2]=4 27410 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [0,1,0,1,0,0|1,0,1]=4 27411 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [0,1,0,1,0,0|1,0,1]=4 27412 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [0,1,0,1,0,0|1,0,1]=4 27413 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [0,1,0,1,0,0|1,0,1]=4 27414 B13R1.28 C=CCCNCCC1CCCCO1 2230a_100015183643_100000754431 [0,1,0,1,0,0|0,0,2]=4 27415 B13R1.28 C=CCCNCCC1CCCCO1 34a_100015183643_100000754431 [0,1,0,1,0,0|0,0,2]=4 27416 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [0,1,0,1,0,0|1,0,1]=4 27417 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [0,1,0,1,0,0|1,0,1]=4 27418 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [0,1,0,1,0,0|1,0,1]=4 27419 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [0,1,0,1,0,0|1,0,1]=4 27420 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [0,1,0,1,0,0|1,0,1]=4 27421 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [0,1,0,1,0,0|1,0,1]=4 27422 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [0,1,0,1,0,0|1,0,1]=4 27423 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [0,1,0,1,0,0|1,0,1]=4 27424 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [0,1,0,1,0,0|1,0,1]=4 27425 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [0,1,0,1,0,0|1,0,1]=4 27426 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [0,1,0,1,0,0|1,0,1]=4 27427 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [0,1,0,1,0,0|1,0,1]=4 27428 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [0,1,0,1,0,0|1,0,1]=4 27429 B13R1.28 CC#CCCOCC1CCCCO1 34a_100000750427_100000211543 [0,1,0,1,0,0|0,0,2]=4 27430 B13R1.28 CC#CCNCCC1CCCCO1 2230a_100015183643_100000748600 [0,1,0,1,0,0|0,0,2]=4 27431 B13R1.28 CC#CCNCCC1CCCCO1 34a_100015183643_100000748600 [0,1,0,1,0,0|0,0,2]=4 27432 B13R1.28 CC/C=C\CCOC1CCCCO1 34a_100000033831_100015370543 [0,1,0,1,0,0|0,0,2]=4 27433 B13R1.28 CC/C=C\CNCC1CCCCO1 2230a_100000174945_100103147603 [0,1,0,1,0,0|0,0,2]=4 27434 B13R1.28 CC/C=C\CNCC1CCCCO1 34a_100000174945_100103147603 [0,1,0,1,0,0|0,0,2]=4 27435 B13R1.28 CC/C=C\COCC1CCCCO1 34a_100000211370_100103147603 [0,1,0,1,0,0|0,0,2]=4 27436 B13R1.28 CC/C=C\COCC1CCCCO1 34a_100016268518_100000211543 [0,1,0,1,0,0|0,0,2]=4 27437 B13R1.28 CC/C=C\COCC1CCCCO1 7a_100000211370_100103147603 [0,1,0,1,0,0|0,0,2]=4 27438 B13R1.28 CC/C=C\CSCC1CCCCO1 62a_100000211543_100103147603 [0,1,0,1,0,0|0,0,2]=4 27439 B13R1.28 CC/C=C\CSCC1CCCCO1 62a_100103147603_100000211543 [0,1,0,1,0,0|0,0,2]=4 27440 B13R1.28 CC=CCNCCC1CCCCO1 2230a_100015183643_100000070051 [0,1,0,1,0,0|0,0,2]=4 27441 B13R1.28 CC=CCNCCC1CCCCO1 34a_100015183643_100000070051 [0,1,0,1,0,0|0,0,2]=4 27442 B13R1.28 CCC#CCNCC1CCCCO1 2230a_100000174945_100009813939 [0,1,0,1,0,0|0,0,2]=4 27443 B13R1.28 CCC#CCNCC1CCCCO1 34a_100000174945_100009813939 [0,1,0,1,0,0|0,0,2]=4 27444 B13R1.28 CCC#CCOCC1CCCCO1 34a_100000032950_100000211543 [0,1,0,1,0,0|0,0,2]=4 27445 B13R1.28 CCC#CCOCC1CCCCO1 34a_100000211370_100009813939 [0,1,0,1,0,0|0,0,2]=4 27446 B13R1.28 CCC#CCOCC1CCCCO1 7a_100000211370_100009813939 [0,1,0,1,0,0|0,0,2]=4 27447 B13R1.28 CCC#CCSCC1CCCCO1 62a_100000211543_100009813939 [0,1,0,1,0,0|0,0,2]=4 27448 B13R1.28 CCC#CCSCC1CCCCO1 62a_100009813939_100000211543 [0,1,0,1,0,0|0,0,2]=4 27449 B13R1.28 CCCCCCCN1CCCOC1 2230a_100000131196_100000210681 [0,1,0,1,0,0|1,0,0]=3 27450 B13R1.28 CCCCCCCN1CCCOC1 269982a_100000131196_100000210681 [0,1,0,1,0,0|1,0,0]=3 27451 B13R1.28 CCCCCCCN1CCCOC1 34a_100000131196_100000210614 [0,1,0,1,0,0|1,0,0]=3 27452 B13R1.28 CCCCCCCN1CCOCC1 2230a_100015191051_100000210681 [0,1,0,1,0,0|2,0,0]=4 27453 B13R1.28 CCCCCCCN1CCOCC1 269982a_100015191051_100000210681 [0,1,0,1,0,0|2,0,0]=4 27454 B13R1.28 CCCCCCCN1CCOCC1 34a_100015191051_100000210614 [0,1,0,1,0,0|2,0,0]=4 27455 B13R1.28 CCCCCCCN1CCSCC1 2230a_100000737611_100000210681 [0,1,0,1,0,0|2,0,0]=4 27456 B13R1.28 CCCCCCCN1CCSCC1 269982a_100000737611_100000210681 [0,1,0,1,0,0|2,0,0]=4 27457 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [0,1,0,1,0,0|1,0,1]=4 27458 B13R1.28 CCCCCCNC1CCCCC1 2230a_100000182618_100000210314 [0,1,0,1,0,0|1,0,0]=3 27459 B13R1.28 CCCCCCNC1CCCCC1 270004a_100000210581_100000210434 [0,1,0,1,0,0|1,0,0]=3 27460 B13R1.28 CCCCCCNC1CCCCC1 34a_100000182618_100000210314 [0,1,0,1,0,0|1,0,0]=3 27461 B13R1.28 CCCCCCNC1CCCOC1 2230a_100000719290_100000210314 [0,1,0,1,0,0|1,0,0]=3 27462 B13R1.28 CCCCCCNC1CCCOC1 270004a_100000210581_100000753404 [0,1,0,1,0,0|1,0,0]=3 27463 B13R1.28 CCCCCCNC1CCCOC1 34a_100000719290_100000210314 [0,1,0,1,0,0|1,0,0]=3 27464 B13R1.28 CCCCCCNC1CCCSC1 270004a_100000210581_100000057913 [0,1,0,1,0,0|1,1,0]=4 27465 B13R1.28 CCCCCCNC1CCNCC1 270004a_100000210581_100015192401 [0,1,0,1,0,0|2,0,0]=4 27466 B13R1.28 CCCCCCNC1CCOCC1 2230a_100000741149_100000210314 [0,1,0,1,0,0|2,0,0]=4 27467 B13R1.28 CCCCCCNC1CCOCC1 270004a_100000210581_100011217826 [0,1,0,1,0,0|2,0,0]=4 27468 B13R1.28 CCCCCCNC1CCOCC1 34a_100000741149_100000210314 [0,1,0,1,0,0|2,0,0]=4 27469 B13R1.28 CCCCCCNC1CCSCC1 2230a_100000748639_100000210314 [0,1,0,1,0,0|2,0,0]=4 27470 B13R1.28 CCCCCCNC1CCSCC1 270004a_100000210581_100000203788 [0,1,0,1,0,0|2,0,0]=4 27471 B13R1.28 CCCCCCNC1CCSCC1 34a_100000748639_100000210314 [0,1,0,1,0,0|2,0,0]=4 27472 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [0,1,0,1,0,0|1,0,1]=4 27473 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [0,1,0,1,0,0|1,0,1]=4 27474 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210231_100000210314 [0,1,0,1,0,0|1,0,0]=3 27475 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210259_100000210327 [0,1,0,1,0,0|1,0,0]=3 27476 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210231_100000210314 [0,1,0,1,0,0|1,0,0]=3 27477 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210259_100000210327 [0,1,0,1,0,0|1,0,0]=3 27478 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [0,1,0,1,0,0|0,0,0]=2 27479 B13R1.28 CCCCCCOC1CCCOC1 34a_100000210259_100000693364 [0,1,0,1,0,0|1,0,0]=3 27480 B13R1.28 CCCCCCOC1CCCOC1 34a_100000754041_100000210314 [0,1,0,1,0,0|1,0,0]=3 27481 B13R1.28 CCCCCCOC1CCCOC1 7a_100000210259_100000693364 [0,1,0,1,0,0|1,0,0]=3 27482 B13R1.28 CCCCCCOC1CCCSC1 7a_100015962668_100000210314 [0,1,0,1,0,0|1,1,0]=4 27483 B13R1.28 CCCCCCOC1CCOCC1 34a_100000744328_100000210314 [0,1,0,1,0,0|2,0,0]=4 27484 B13R1.28 CCCCCCOC1CCOCC1 7a_100000210259_100000686592 [0,1,0,1,0,0|2,0,0]=4 27485 B13R1.28 CCCCCCOC1CCSCC1 34a_100000210259_100000069128 [0,1,0,1,0,0|2,0,0]=4 27486 B13R1.28 CCCCCCOC1CCSCC1 34a_100000731022_100000210314 [0,1,0,1,0,0|2,0,0]=4 27487 B13R1.28 CCCCCCOC1CCSCC1 7a_100000210259_100011500858 [0,1,0,1,0,0|2,0,0]=4 27488 B13R1.28 CCCCCCOC1CCSCC1 7a_100000731022_100000210314 [0,1,0,1,0,0|2,0,0]=4 27489 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [0,1,0,1,0,0|1,0,1]=4 27490 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [0,1,0,1,0,0|1,0,1]=4 27491 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210314_100000210327 [0,1,0,1,0,0|1,0,0]=3 27492 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210327_100000210757 [0,1,0,1,0,0|1,0,0]=3 27493 B13R1.28 CCCCCCSC1CCCOC1 62a_100000210314_100000693364 [0,1,0,1,0,0|1,0,0]=3 27494 B13R1.28 CCCCCCSC1CCOCC1 62a_100000210314_100011324220 [0,1,0,1,0,0|2,0,0]=4 27495 B13R1.28 CCCCCCSC1CCSCC1 62a_100000210314_100000069128 [0,1,0,1,0,0|2,0,0]=4 27496 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000209983_100000211423 [0,1,0,1,0,0|1,0,0]=3 27497 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000210473_100000210326 [0,1,0,1,0,0|1,0,0]=3 27498 B13R1.28 CCCCCNCC1CCCCC1 269862a_100000209983_100000211278 [0,1,0,1,0,0|1,0,0]=3 27499 B13R1.28 CCCCCNCC1CCCCC1 34a_100000210473_100000718602 [0,1,0,1,0,0|1,0,0]=3 27500 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [0,1,0,1,0,0|0,0,0]=2 27501 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [0,1,0,1,0,0|0,0,0]=2 27502 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [0,1,0,1,0,0|0,0,0]=2 27503 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000209983_100000741521 [0,1,0,1,0,0|1,0,0]=3 27504 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000720124_100000210326 [0,1,0,1,0,0|1,0,0]=3 27505 B13R1.28 CCCCCNCC1CCCOC1 34a_100000720124_100000718602 [0,1,0,1,0,0|1,0,0]=3 27506 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000209983_100000754603 [0,1,0,1,0,0|2,0,0]=4 27507 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000746373_100000210326 [0,1,0,1,0,0|2,0,0]=4 27508 B13R1.28 CCCCCNCC1CCOCC1 269862a_100000209983_100000749017 [0,1,0,1,0,0|2,0,0]=4 27509 B13R1.28 CCCCCNCC1CCOCC1 34a_100000746373_100000718602 [0,1,0,1,0,0|2,0,0]=4 27510 B13R1.28 CCCCCNCC1CCSCC1 2230a_100015188806_100000210326 [0,1,0,1,0,0|2,0,0]=4 27511 B13R1.28 CCCCCNCC1CCSCC1 269862a_100000209983_100000067145 [0,1,0,1,0,0|2,0,0]=4 27512 B13R1.28 CCCCCNCC1CCSCC1 270004a_100000209983_100000067145 [0,1,0,1,0,0|2,0,0]=4 27513 B13R1.28 CCCCCNCC1CCSCC1 34a_100015188806_100000718602 [0,1,0,1,0,0|2,0,0]=4 27514 B13R1.28 CCCCCNC[C@H]1COCCO1 2230a_100010981119_100000210326 [0,1,0,1,0,0|1,0,0]=3 27515 B13R1.28 CCCCCNC[C@H]1COCCO1 34a_100010981119_100000718602 [0,1,0,1,0,0|1,0,0]=3 27516 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,1,0,1,0,0|0,0,2]=4 27517 B13R1.28 CCCCCOCC1CCCCC1 34a_100000210253_100000211423 [0,1,0,1,0,0|1,0,0]=3 27518 B13R1.28 CCCCCOCC1CCCCC1 34a_100000212181_100000718602 [0,1,0,1,0,0|1,0,0]=3 27519 B13R1.28 CCCCCOCC1CCCCC1 7a_100000210253_100000211423 [0,1,0,1,0,0|1,0,0]=3 27520 B13R1.28 CCCCCOCC1CCCCC1 7a_100000212181_100000210326 [0,1,0,1,0,0|1,0,0]=3 27521 B13R1.28 CCCCCOCC1CCCCN1 34a_100000210821_100000718602 [0,1,0,1,0,0|1,0,0]=3 27522 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [0,1,0,1,0,0|0,0,0]=2 27523 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [0,1,0,1,0,0|0,0,0]=2 27524 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [0,1,0,1,0,0|0,0,0]=2 27525 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [0,1,0,1,0,0|0,0,0]=2 27526 B13R1.28 CCCCCOCC1CCCNC1 34a_100000211344_100000718602 [0,1,0,1,0,0|2,0,0]=4 27527 B13R1.28 CCCCCOCC1CCCOC1 34a_100000210253_100000741521 [0,1,0,1,0,0|1,0,0]=3 27528 B13R1.28 CCCCCOCC1CCCOC1 34a_100000741520_100000718602 [0,1,0,1,0,0|1,0,0]=3 27529 B13R1.28 CCCCCOCC1CCCOC1 7a_100000210253_100000741521 [0,1,0,1,0,0|1,0,0]=3 27530 B13R1.28 CCCCCOCC1CCNCC1 34a_100000738675_100000718602 [0,1,0,1,0,0|2,0,0]=4 27531 B13R1.28 CCCCCOCC1CCOCC1 34a_100000210253_100000754603 [0,1,0,1,0,0|2,0,0]=4 27532 B13R1.28 CCCCCOCC1CCOCC1 34a_100000749013_100000718602 [0,1,0,1,0,0|2,0,0]=4 27533 B13R1.28 CCCCCOCC1CCOCC1 7a_100000210253_100000754603 [0,1,0,1,0,0|2,0,0]=4 27534 B13R1.28 CCCCCOCC1CCSCC1 34a_100000070558_100000718602 [0,1,0,1,0,0|2,0,0]=4 27535 B13R1.28 CCCCCOCC1CCSCC1 7a_100000070558_100000210326 [0,1,0,1,0,0|2,0,0]=4 27536 B13R1.28 CCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000718602 [0,1,0,1,0,0|1,0,0]=3 27537 B13R1.28 CCCCCOC[C@@H]1COCCN1 34a_100000717676_100000718602 [0,1,0,1,0,0|2,0,0]=4 27538 B13R1.28 CCCCCOC[C@H]1COCCO1 34a_100009875890_100000718602 [0,1,0,1,0,0|1,0,0]=3 27539 B13R1.28 CCCCCSCC1CCCCC1 62a_100000210326_100000211423 [0,1,0,1,0,0|1,0,0]=3 27540 B13R1.28 CCCCCSCC1CCCCC1 62a_100000211423_100000210326 [0,1,0,1,0,0|1,0,0]=3 27541 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [0,1,0,1,0,0|0,0,0]=2 27542 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [0,1,0,1,0,0|0,0,0]=2 27543 B13R1.28 CCCCCSCC1CCCOC1 62a_100000210326_100000741521 [0,1,0,1,0,0|1,0,0]=3 27544 B13R1.28 CCCCCSCC1CCCOC1 62a_100000741521_100000210326 [0,1,0,1,0,0|1,0,0]=3 27545 B13R1.28 CCCCCSCC1CCOCC1 62a_100000210326_100000749018 [0,1,0,1,0,0|2,0,0]=4 27546 B13R1.28 CCCCCSCC1CCOCC1 62a_100000754603_100000210326 [0,1,0,1,0,0|2,0,0]=4 27547 B13R1.28 CCCCNCCC1=CCCCC1 2230a_100000212019_100000210211 [0,1,0,1,0,0|1,0,1]=4 27548 B13R1.28 CCCCNCCC1=CCCCC1 34a_100000212019_100000210210 [0,1,0,1,0,0|1,0,1]=4 27549 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000102301_100012355289 [0,1,0,1,0,0|1,0,0]=3 27550 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000738074_100000210211 [0,1,0,1,0,0|1,0,0]=3 27551 B13R1.28 CCCCNCCC1CCCCC1 270004a_100000102301_100011713444 [0,1,0,1,0,0|1,0,0]=3 27552 B13R1.28 CCCCNCCC1CCCCC1 34a_100000738074_100000210210 [0,1,0,1,0,0|1,0,0]=3 27553 B13R1.28 CCCCNCCC1CCCCC1 7a_106832991798_100011273959 [0,1,0,1,0,0|1,0,0]=3 27554 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [0,1,0,1,0,0|0,0,0]=2 27555 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [0,1,0,1,0,0|0,0,0]=2 27556 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000102301_100011934994 [0,1,0,1,0,0|2,0,0]=4 27557 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000755988_100000210211 [0,1,0,1,0,0|2,0,0]=4 27558 B13R1.28 CCCCNCCC1CCOCC1 34a_100000755988_100000210210 [0,1,0,1,0,0|2,0,0]=4 27559 B13R1.28 CCCCNCCC1CCOCC1 7a_106832991798_100011934994 [0,1,0,1,0,0|2,0,0]=4 27560 B13R1.28 CCCCNCCC1OCCCO1 2230a_100000102301_100000764188 [0,1,0,1,0,0|1,0,0]=3 27561 B13R1.28 CCCCNCCC1OCCCO1 7a_106832991798_100000764188 [0,1,0,1,0,0|1,0,0]=3 27562 B13R1.28 CCCCNCCN1CCCCC1 2230a_100000102301_100000739454 [0,1,0,1,0,0|2,0,0]=4 27563 B13R1.28 CCCCNCCN1CCCCC1 7a_106832991798_100000739454 [0,1,0,1,0,0|2,0,0]=4 27564 B13R1.28 CCCCNCOC1CCCCC1 2230a_100000102301_100011935260 [0,1,0,1,0,0|2,0,0]=4 27565 B13R1.28 CCCCNCOC1CCCCC1 7a_106832991798_100011935260 [0,1,0,1,0,0|2,0,0]=4 27566 B13R1.28 CCCCOCCC1CCCCC1 34a_100000210227_100011209188 [0,1,0,1,0,0|1,0,0]=3 27567 B13R1.28 CCCCOCCC1CCCCC1 34a_100011217863_100000210210 [0,1,0,1,0,0|1,0,0]=3 27568 B13R1.28 CCCCOCCC1CCCCC1 7a_100000210227_100011273959 [0,1,0,1,0,0|1,0,0]=3 27569 B13R1.28 CCCCOCCC1CCCCC1 7a_100011217863_100000210211 [0,1,0,1,0,0|1,0,0]=3 27570 B13R1.28 CCCCOCCC1CCCCN1 34a_100000211664_100000210210 [0,1,0,1,0,0|1,0,0]=3 27571 B13R1.28 CCCCOCCC1CCCNC1 34a_100000752241_100000210210 [0,1,0,1,0,0|2,0,0]=4 27572 B13R1.28 CCCCOCCC1CCNCC1 34a_100015190746_100000210210 [0,1,0,1,0,0|2,0,0]=4 27573 B13R1.28 CCCCOCCC1CCOCC1 34a_100000210227_100011934994 [0,1,0,1,0,0|2,0,0]=4 27574 B13R1.28 CCCCOCCC1CCOCC1 34a_100011933979_100000210210 [0,1,0,1,0,0|2,0,0]=4 27575 B13R1.28 CCCCOCCC1CCOCC1 7a_100000210227_100011934994 [0,1,0,1,0,0|2,0,0]=4 27576 B13R1.28 CCCCOCCC1CCOCC1 7a_100011933979_100000210211 [0,1,0,1,0,0|2,0,0]=4 27577 B13R1.28 CCCCOCCC1OCCCO1 34a_100000210227_100000764188 [0,1,0,1,0,0|1,0,0]=3 27578 B13R1.28 CCCCOCCC1OCCCO1 7a_100000210227_100000764188 [0,1,0,1,0,0|1,0,0]=3 27579 B13R1.28 CCCCOCCC1SCCCS1 34a_200011025297_100000210210 [0,1,0,1,0,0|1,1,0]=4 27580 B13R1.28 CCCCOCCC1SCCCS1 7a_200011025297_100000210211 [0,1,0,1,0,0|1,1,0]=4 27581 B13R1.28 CCCCOCCN1CCCCC1 34a_100000210227_100000739454 [0,1,0,1,0,0|2,0,0]=4 27582 B13R1.28 CCCCOCCN1CCCCC1 7a_100000210227_100000739454 [0,1,0,1,0,0|2,0,0]=4 27583 B13R1.28 CCCCOCCN1CCCOC1 2230a_100000131196_100000743108 [0,1,0,1,0,0|2,0,0]=4 27584 B13R1.28 CCCCOCCN1CCCOC1 269982a_100000131196_100000743108 [0,1,0,1,0,0|2,0,0]=4 27585 B13R1.28 CCCCOCCN1CCCOC1 34a_100000131196_100000743108 [0,1,0,1,0,0|2,0,0]=4 27586 B13R1.28 CCCCOCC[C@@H]1CNCCN1 34a_100016989929_100000210210 [0,1,0,1,0,0|2,0,0]=4 27587 B13R1.28 CCCCOCNC1CCCCC1 2230a_100000182618_100011995733 [0,1,0,1,0,0|2,0,0]=4 27588 B13R1.28 CCCCOCNC1CCCCC1 34a_100000182618_100011995733 [0,1,0,1,0,0|2,0,0]=4 27589 B13R1.28 CCCCOCNC1CCCOC1 2230a_100000719290_100011995733 [0,1,0,1,0,0|2,0,0]=4 27590 B13R1.28 CCCCOCNC1CCCOC1 34a_100000719290_100011995733 [0,1,0,1,0,0|2,0,0]=4 27591 B13R1.28 CCCCOCOC1CCCCC1 34a_100000210227_100011935260 [0,1,0,1,0,0|2,0,0]=4 27592 B13R1.28 CCCCOCOC1CCCCC1 34a_100000210231_100011995733 [0,1,0,1,0,0|2,0,0]=4 27593 B13R1.28 CCCCOCOC1CCCCC1 7a_100000210227_100011935260 [0,1,0,1,0,0|2,0,0]=4 27594 B13R1.28 CCCCOCOC1CCCCO1 34a_100000033831_100011995733 [0,1,0,1,0,0|1,0,0]=3 27595 B13R1.28 CCCCOCOC1CCCOC1 34a_100000754041_100011995733 [0,1,0,1,0,0|2,0,0]=4 27596 B13R1.28 CCCCOCSC1CCCCC1 62a_100000210327_100011995733 [0,1,0,1,0,0|2,0,0]=4 27597 B13R1.28 CCCCOCSC1CCCCC1 62a_100011995733_100000210327 [0,1,0,1,0,0|2,0,0]=4 27598 B13R1.28 CCCCOCSC1CCCOC1 62a_100011995733_100000693364 [0,1,0,1,0,0|2,0,0]=4 27599 B13R1.28 CCCCSCCC1CCCCC1 62a_100000210211_100012355289 [0,1,0,1,0,0|1,0,0]=3 27600 B13R1.28 CCCCSCCC1CCCCC1 62a_100012355289_100000210210 [0,1,0,1,0,0|1,0,0]=3 27601 B13R1.28 CCCCSCCC1CCOCC1 62a_100000210211_100011934994 [0,1,0,1,0,0|2,0,0]=4 27602 B13R1.28 CCCCSCCC1CCOCC1 62a_100011934994_100000210210 [0,1,0,1,0,0|2,0,0]=4 27603 B13R1.28 CCCCSCCC1OCCCO1 62a_100000210211_100000764188 [0,1,0,1,0,0|1,0,0]=3 27604 B13R1.28 CCCCSCCC1OCCCO1 62a_100000764188_100000210210 [0,1,0,1,0,0|1,0,0]=3 27605 B13R1.28 CCCCSCCN1CCCCC1 62a_100000210211_100000739454 [0,1,0,1,0,0|2,0,0]=4 27606 B13R1.28 CCCCSCCN1CCCCC1 62a_100000739454_100000210210 [0,1,0,1,0,0|2,0,0]=4 27607 B13R1.28 CCCCSCOC1CCCCC1 62a_100000210211_100011935260 [0,1,0,1,0,0|2,0,0]=4 27608 B13R1.28 CCCCSCOC1CCCCC1 62a_100011935260_100000210210 [0,1,0,1,0,0|2,0,0]=4 27609 B13R1.28 CCCNCCCC1CCCCC1 2230a_100011211642_100000210303 [0,1,0,1,0,0|1,0,0]=3 27610 B13R1.28 CCCNCCCC1CCCCC1 34a_100011211642_100000210303 [0,1,0,1,0,0|1,0,0]=3 27611 B13R1.28 CCCNCCOC1CCCCC1 34a_100015206981_100000210303 [0,1,0,1,0,0|2,0,0]=4 27612 B13R1.28 CCCOCCCC1CCCCC1 34a_100000198086_100000210303 [0,1,0,1,0,0|1,0,0]=3 27613 B13R1.28 CCCOCCCC1CCCCC1 34a_100000210258_100011713725 [0,1,0,1,0,0|1,0,0]=3 27614 B13R1.28 CCCOCCCC1CCCCC1 7a_100000198086_100000210303 [0,1,0,1,0,0|1,0,0]=3 27615 B13R1.28 CCCOCCCC1CCCCN1 34a_100011934581_100000210303 [0,1,0,1,0,0|1,0,0]=3 27616 B13R1.28 CCCOCCCC1CCCNC1 34a_100150707839_100000210303 [0,1,0,1,0,0|2,0,0]=4 27617 B13R1.28 CCCOCCCC1CCNCC1 34a_100016988962_100000210303 [0,1,0,1,0,0|2,0,0]=4 27618 B13R1.28 CCCOCCCN1CCCCC1 34a_100000210258_100000690320 [0,1,0,1,0,0|2,0,0]=4 27619 B13R1.28 CCCOCCCN1CCCCC1 34a_100000212458_100000210303 [0,1,0,1,0,0|2,0,0]=4 27620 B13R1.28 CCCOCCNC1CCCCC1 2230a_100000182618_100011215938 [0,1,0,1,0,0|2,0,0]=4 27621 B13R1.28 CCCOCCNC1CCCCC1 270004a_100161115042_100000210434 [0,1,0,1,0,0|2,0,0]=4 27622 B13R1.28 CCCOCCNC1CCCCC1 34a_100000182618_100011215938 [0,1,0,1,0,0|2,0,0]=4 27623 B13R1.28 CCCOCCNC1CCCCC1 34a_100000200466_100000210303 [0,1,0,1,0,0|2,0,0]=4 27624 B13R1.28 CCCOCCNC1CCCCC1 34a_100161115042_100000210327 [0,1,0,1,0,0|2,0,0]=4 27625 B13R1.28 CCCOCCNC1CCCOC1 2230a_100000719290_100011215938 [0,1,0,1,0,0|2,0,0]=4 27626 B13R1.28 CCCOCCNC1CCCOC1 270004a_100161115042_100000753404 [0,1,0,1,0,0|2,0,0]=4 27627 B13R1.28 CCCOCCNC1CCCOC1 34a_100000719290_100011215938 [0,1,0,1,0,0|2,0,0]=4 27628 B13R1.28 CCCOCCNC1CCCOC1 34a_100161115042_100000693364 [0,1,0,1,0,0|2,0,0]=4 27629 B13R1.28 CCCOCCOC1CCCCC1 34a_100000210231_100011215938 [0,1,0,1,0,0|2,0,0]=4 27630 B13R1.28 CCCOCCOC1CCCCC1 34a_100000210258_100011211530 [0,1,0,1,0,0|2,0,0]=4 27631 B13R1.28 CCCOCCOC1CCCCC1 34a_100000752267_100000210327 [0,1,0,1,0,0|2,0,0]=4 27632 B13R1.28 CCCOCCOC1CCCCC1 34a_100011249652_100000210303 [0,1,0,1,0,0|2,0,0]=4 27633 B13R1.28 CCCOCCOC1CCCCC1 7a_100000210231_100011215938 [0,1,0,1,0,0|2,0,0]=4 27634 B13R1.28 CCCOCCOC1CCCCC1 7a_100000752267_100000210327 [0,1,0,1,0,0|2,0,0]=4 27635 B13R1.28 CCCOCCOC1CCCCC1 7a_100011249652_100000210303 [0,1,0,1,0,0|2,0,0]=4 27636 B13R1.28 CCCOCCOC1CCCCO1 34a_100000033831_100011215938 [0,1,0,1,0,0|1,0,0]=3 27637 B13R1.28 CCCOCCOC1CCCCO1 34a_100000034223_100000210303 [0,1,0,1,0,0|1,0,0]=3 27638 B13R1.28 CCCOCCOC1CCCCO1 34a_100000210258_100000744793 [0,1,0,1,0,0|1,0,0]=3 27639 B13R1.28 CCCOCCOC1CCCCO1 7a_100000034223_100000210303 [0,1,0,1,0,0|1,0,0]=3 27640 B13R1.28 CCCOCCOC1CCCOC1 34a_100000752267_100000693364 [0,1,0,1,0,0|2,0,0]=4 27641 B13R1.28 CCCOCCOC1CCCOC1 34a_100000754041_100011215938 [0,1,0,1,0,0|2,0,0]=4 27642 B13R1.28 CCCOCCOC1CCCOC1 7a_100000752267_100000693364 [0,1,0,1,0,0|2,0,0]=4 27643 B13R1.28 CCCOCCSC1CCCCC1 62a_100000210327_100011215938 [0,1,0,1,0,0|2,0,0]=4 27644 B13R1.28 CCCOCCSC1CCCCC1 62a_100011215938_100000210327 [0,1,0,1,0,0|2,0,0]=4 27645 B13R1.28 CCCOCCSC1CCCOC1 62a_100011215938_100000693364 [0,1,0,1,0,0|2,0,0]=4 27646 B13R1.28 CCCSCCCC1CCCCC1 62a_100000210303_100011713725 [0,1,0,1,0,0|1,0,0]=3 27647 B13R1.28 CCCSCCCC1CCCCC1 62a_100011713725_100000210303 [0,1,0,1,0,0|1,0,0]=3 27648 B13R1.28 CCCSCCCN1CCCCC1 62a_100000210303_100000007876 [0,1,0,1,0,0|2,0,0]=4 27649 B13R1.28 CCCSCCCN1CCCCC1 62a_100132302099_100000210303 [0,1,0,1,0,0|2,0,0]=4 27650 B13R1.28 CCCSCCNC1CCCCC1 270004a_100020603323_100000210434 [0,1,0,1,0,0|2,0,0]=4 27651 B13R1.28 CCCSCCNC1CCCOC1 270004a_100020603323_100000753404 [0,1,0,1,0,0|2,0,0]=4 27652 B13R1.28 CCCSCCOC1CCCCC1 34a_200000230433_100000210327 [0,1,0,1,0,0|2,0,0]=4 27653 B13R1.28 CCCSCCOC1CCCCC1 62a_100000210303_100011211530 [0,1,0,1,0,0|2,0,0]=4 27654 B13R1.28 CCCSCCOC1CCCCC1 62a_100011211530_100000210303 [0,1,0,1,0,0|2,0,0]=4 27655 B13R1.28 CCCSCCOC1CCCCC1 7a_200000230433_100000210327 [0,1,0,1,0,0|2,0,0]=4 27656 B13R1.28 CCCSCCOC1CCCCO1 62a_100000210303_100000744793 [0,1,0,1,0,0|1,0,0]=3 27657 B13R1.28 CCCSCCOC1CCCCO1 62a_100000744793_100000210303 [0,1,0,1,0,0|1,0,0]=3 27658 B13R1.28 CCCSCCOC1CCCOC1 34a_200000230433_100000693364 [0,1,0,1,0,0|2,0,0]=4 27659 B13R1.28 CCCSCCOC1CCCOC1 7a_200000230433_100000693364 [0,1,0,1,0,0|2,0,0]=4 27660 B13R1.28 CCNCCCOC1CCCCC1 34a_100000205933_100000210202 [0,1,0,1,0,0|2,0,0]=4 27661 B13R1.28 CCNCCCOC1CCCCO1 2230a_100015525214_100000700653 [0,1,0,1,0,0|1,0,0]=3 27662 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [0,1,0,1,0,0|1,0,0]=3 27663 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [0,1,0,1,0,0|1,0,0]=3 27664 B13R1.28 CCOCCCCC1CCNCC1 34a_100016989291_100000210202 [0,1,0,1,0,0|2,0,0]=4 27665 B13R1.28 CCOCCCNC1CCCCC1 2230a_100000182618_100012232248 [0,1,0,1,0,0|2,0,0]=4 27666 B13R1.28 CCOCCCNC1CCCCC1 270004a_100000210961_100000210434 [0,1,0,1,0,0|2,0,0]=4 27667 B13R1.28 CCOCCCNC1CCCCC1 34a_100000182618_100012232248 [0,1,0,1,0,0|2,0,0]=4 27668 B13R1.28 CCOCCCNC1CCCCC1 34a_100000210961_100000210327 [0,1,0,1,0,0|2,0,0]=4 27669 B13R1.28 CCOCCCNC1CCCOC1 2230a_100000719290_100012232248 [0,1,0,1,0,0|2,0,0]=4 27670 B13R1.28 CCOCCCNC1CCCOC1 270004a_100000210961_100000753404 [0,1,0,1,0,0|2,0,0]=4 27671 B13R1.28 CCOCCCNC1CCCOC1 34a_100000210961_100000693364 [0,1,0,1,0,0|2,0,0]=4 27672 B13R1.28 CCOCCCNC1CCCOC1 34a_100000719290_100012232248 [0,1,0,1,0,0|2,0,0]=4 27673 B13R1.28 CCOCCCOC1CCCCC1 34a_100000210231_100012232248 [0,1,0,1,0,0|2,0,0]=4 27674 B13R1.28 CCOCCCOC1CCCCC1 34a_100000757476_100000210327 [0,1,0,1,0,0|2,0,0]=4 27675 B13R1.28 CCOCCCOC1CCCCC1 7a_100000210231_100012232248 [0,1,0,1,0,0|2,0,0]=4 27676 B13R1.28 CCOCCCOC1CCCCC1 7a_100000757476_100000210327 [0,1,0,1,0,0|2,0,0]=4 27677 B13R1.28 CCOCCCOC1CCCCO1 34a_100000033831_100012232248 [0,1,0,1,0,0|1,0,0]=3 27678 B13R1.28 CCOCCCOC1CCCCO1 34a_100121572206_100000700653 [0,1,0,1,0,0|1,0,0]=3 27679 B13R1.28 CCOCCCOC1CCCOC1 34a_100000754041_100012232248 [0,1,0,1,0,0|2,0,0]=4 27680 B13R1.28 CCOCCCOC1CCCOC1 34a_100000757476_100000693364 [0,1,0,1,0,0|2,0,0]=4 27681 B13R1.28 CCOCCCOC1CCCOC1 7a_100000757476_100000693364 [0,1,0,1,0,0|2,0,0]=4 27682 B13R1.28 CCOCCCSC1CCCCC1 62a_100000210327_100012232248 [0,1,0,1,0,0|2,0,0]=4 27683 B13R1.28 CCOCCCSC1CCCCC1 62a_100012232248_100000210327 [0,1,0,1,0,0|2,0,0]=4 27684 B13R1.28 CCOCCCSC1CCCOC1 62a_100012232248_100000693364 [0,1,0,1,0,0|2,0,0]=4 27685 B13R1.28 CCOCCNCC1CCCCC1 2230a_100000210473_100011215890 [0,1,0,1,0,0|2,0,0]=4 27686 B13R1.28 CCOCCNCC1CCCCC1 2230a_102516460346_100000211423 [0,1,0,1,0,0|2,0,0]=4 27687 B13R1.28 CCOCCNCC1CCCCC1 269862a_100011200944_100000211278 [0,1,0,1,0,0|2,0,0]=4 27688 B13R1.28 CCOCCNCC1CCCCC1 34a_100000210473_100000210147 [0,1,0,1,0,0|2,0,0]=4 27689 B13R1.28 CCOCCNCC1CCCCC1 34a_102516460346_100000211423 [0,1,0,1,0,0|2,0,0]=4 27690 B13R1.28 CCOCCNCC1CCCCO1 2230a_100000174945_100011215890 [0,1,0,1,0,0|1,0,0]=3 27691 B13R1.28 CCOCCNCC1CCCCO1 2230a_102516460346_100000211543 [0,1,0,1,0,0|1,0,0]=3 27692 B13R1.28 CCOCCNCC1CCCCO1 34a_100000174945_100000210147 [0,1,0,1,0,0|1,0,0]=3 27693 B13R1.28 CCOCCNCC1CCCCO1 34a_102516460346_100000211543 [0,1,0,1,0,0|1,0,0]=3 27694 B13R1.28 CCOCCNCC1CCCOC1 2230a_100000720124_100011215890 [0,1,0,1,0,0|2,0,0]=4 27695 B13R1.28 CCOCCNCC1CCCOC1 2230a_102516460346_100000741521 [0,1,0,1,0,0|2,0,0]=4 27696 B13R1.28 CCOCCNCC1CCCOC1 34a_100000720124_100000210147 [0,1,0,1,0,0|2,0,0]=4 27697 B13R1.28 CCOCCNCC1CCCOC1 34a_102516460346_100000741521 [0,1,0,1,0,0|2,0,0]=4 27698 B13R1.28 CCOCCNC[C@H]1COCCO1 2230a_100010981119_100011215890 [0,1,0,1,0,0|2,0,0]=4 27699 B13R1.28 CCOCCNC[C@H]1COCCO1 34a_100010981119_100000210147 [0,1,0,1,0,0|2,0,0]=4 27700 B13R1.28 CCOCCOCC1CCCCC1 34a_100000210136_100000211423 [0,1,0,1,0,0|2,0,0]=4 27701 B13R1.28 CCOCCOCC1CCCCC1 34a_100000212181_100000210147 [0,1,0,1,0,0|2,0,0]=4 27702 B13R1.28 CCOCCOCC1CCCCC1 7a_100000210136_100000211423 [0,1,0,1,0,0|2,0,0]=4 27703 B13R1.28 CCOCCOCC1CCCCC1 7a_100000212181_100011215890 [0,1,0,1,0,0|2,0,0]=4 27704 B13R1.28 CCOCCOCC1CCCCN1 34a_100000210821_100000210147 [0,1,0,1,0,0|2,0,0]=4 27705 B13R1.28 CCOCCOCC1CCCCO1 34a_100000210136_100000211543 [0,1,0,1,0,0|1,0,0]=3 27706 B13R1.28 CCOCCOCC1CCCCO1 34a_100000211370_100000210147 [0,1,0,1,0,0|1,0,0]=3 27707 B13R1.28 CCOCCOCC1CCCCO1 7a_100000210136_100000211543 [0,1,0,1,0,0|1,0,0]=3 27708 B13R1.28 CCOCCOCC1CCCCO1 7a_100000211370_100011215890 [0,1,0,1,0,0|1,0,0]=3 27709 B13R1.28 CCOCCOCC1CCCOC1 34a_100000210136_100000741521 [0,1,0,1,0,0|2,0,0]=4 27710 B13R1.28 CCOCCOCC1CCCOC1 34a_100000741520_100000210147 [0,1,0,1,0,0|2,0,0]=4 27711 B13R1.28 CCOCCOCC1CCCOC1 7a_100000210136_100000741521 [0,1,0,1,0,0|2,0,0]=4 27712 B13R1.28 CCOCCOC[C@@H]1CNCCO1 34a_100015189573_100000210147 [0,1,0,1,0,0|2,0,0]=4 27713 B13R1.28 CCOCCOC[C@H]1COCCO1 34a_100009875890_100000210147 [0,1,0,1,0,0|2,0,0]=4 27714 B13R1.28 CCOCCSCC1CCCCC1 62a_100000210147_100000211423 [0,1,0,1,0,0|2,0,0]=4 27715 B13R1.28 CCOCCSCC1CCCCC1 62a_100000211423_100011215890 [0,1,0,1,0,0|2,0,0]=4 27716 B13R1.28 CCOCCSCC1CCCCO1 62a_100000210147_100000211543 [0,1,0,1,0,0|1,0,0]=3 27717 B13R1.28 CCOCCSCC1CCCCO1 62a_100000211543_100011215890 [0,1,0,1,0,0|1,0,0]=3 27718 B13R1.28 CCOCCSCC1CCCOC1 62a_100000210147_100000741521 [0,1,0,1,0,0|2,0,0]=4 27719 B13R1.28 CCOCCSCC1CCCOC1 62a_100000741521_100011215890 [0,1,0,1,0,0|2,0,0]=4 27720 B13R1.28 CCOCSCCC1CCCCC1 62a_100000739092_100012355289 [0,1,0,1,0,0|2,0,0]=4 27721 B13R1.28 CCOCSCCC1CCCCC1 62a_100012355289_100000739092 [0,1,0,1,0,0|2,0,0]=4 27722 B13R1.28 CCOCSCCC1OCCCO1 62a_100000739092_100000764188 [0,1,0,1,0,0|2,0,0]=4 27723 B13R1.28 CCOCSCCC1OCCCO1 62a_100000764188_100000739092 [0,1,0,1,0,0|2,0,0]=4 27724 B13R1.28 CCSCCCOC1CCCCC1 34a_100011216438_100000210327 [0,1,0,1,0,0|2,0,0]=4 27725 B13R1.28 CCSCCCOC1CCCCC1 7a_100011216438_100000210327 [0,1,0,1,0,0|2,0,0]=4 27726 B13R1.28 CCSCCCOC1CCCCO1 62a_100000210202_100000700653 [0,1,0,1,0,0|1,0,0]=3 27727 B13R1.28 CCSCCCOC1CCCCO1 62a_100000700653_100000210202 [0,1,0,1,0,0|1,0,0]=3 27728 B13R1.28 CCSCCCOC1CCCOC1 34a_100011216438_100000693364 [0,1,0,1,0,0|2,0,0]=4 27729 B13R1.28 CCSCCCOC1CCCOC1 7a_100011216438_100000693364 [0,1,0,1,0,0|2,0,0]=4 27730 B13R1.28 CCSCCNCC1CCCCC1 2230a_100000106463_100000211423 [0,1,0,1,0,0|2,0,0]=4 27731 B13R1.28 CCSCCNCC1CCCCC1 2230a_100000210473_100000757381 [0,1,0,1,0,0|2,0,0]=4 27732 B13R1.28 CCSCCNCC1CCCCC1 269862a_100000106463_100000211278 [0,1,0,1,0,0|2,0,0]=4 27733 B13R1.28 CCSCCNCC1CCCCC1 34a_100000210473_100000757381 [0,1,0,1,0,0|2,0,0]=4 27734 B13R1.28 CCSCCNCC1CCCCO1 2230a_100000106463_100000211543 [0,1,0,1,0,0|1,0,0]=3 27735 B13R1.28 CCSCCNCC1CCCCO1 2230a_100000174945_100000757381 [0,1,0,1,0,0|1,0,0]=3 27736 B13R1.28 CCSCCNCC1CCCCO1 34a_100000174945_100000757381 [0,1,0,1,0,0|1,0,0]=3 27737 B13R1.28 CCSCCNCC1CCCOC1 2230a_100000106463_100000741521 [0,1,0,1,0,0|2,0,0]=4 27738 B13R1.28 CCSCCNCC1CCCOC1 2230a_100000720124_100000757381 [0,1,0,1,0,0|2,0,0]=4 27739 B13R1.28 CCSCCNCC1CCCOC1 34a_100000720124_100000757381 [0,1,0,1,0,0|2,0,0]=4 27740 B13R1.28 CCSCCNC[C@H]1COCCO1 2230a_100010981119_100000757381 [0,1,0,1,0,0|2,0,0]=4 27741 B13R1.28 CCSCCNC[C@H]1COCCO1 34a_100010981119_100000757381 [0,1,0,1,0,0|2,0,0]=4 27742 B13R1.28 CCSCCOCC1CCCCC1 34a_100000212035_100000211423 [0,1,0,1,0,0|2,0,0]=4 27743 B13R1.28 CCSCCOCC1CCCCC1 34a_100000212181_100000757381 [0,1,0,1,0,0|2,0,0]=4 27744 B13R1.28 CCSCCOCC1CCCCC1 7a_100000212035_100000211423 [0,1,0,1,0,0|2,0,0]=4 27745 B13R1.28 CCSCCOCC1CCCCC1 7a_100000212181_100000757381 [0,1,0,1,0,0|2,0,0]=4 27746 B13R1.28 CCSCCOCC1CCCCN1 34a_100000210821_100000757381 [0,1,0,1,0,0|2,0,0]=4 27747 B13R1.28 CCSCCOCC1CCCCO1 34a_100000211370_100000757381 [0,1,0,1,0,0|1,0,0]=3 27748 B13R1.28 CCSCCOCC1CCCCO1 34a_100000212035_100000211543 [0,1,0,1,0,0|1,0,0]=3 27749 B13R1.28 CCSCCOCC1CCCCO1 7a_100000211370_100000757381 [0,1,0,1,0,0|1,0,0]=3 27750 B13R1.28 CCSCCOCC1CCCCO1 7a_100000212035_100000211543 [0,1,0,1,0,0|1,0,0]=3 27751 B13R1.28 CCSCCOCC1CCCOC1 34a_100000212035_100000741521 [0,1,0,1,0,0|2,0,0]=4 27752 B13R1.28 CCSCCOCC1CCCOC1 34a_100000741520_100000757381 [0,1,0,1,0,0|2,0,0]=4 27753 B13R1.28 CCSCCOCC1CCCOC1 7a_100000212035_100000741521 [0,1,0,1,0,0|2,0,0]=4 27754 B13R1.28 CCSCCOC[C@@H]1CNCCO1 34a_100015189573_100000757381 [0,1,0,1,0,0|2,0,0]=4 27755 B13R1.28 CCSCCOC[C@H]1COCCO1 34a_100009875890_100000757381 [0,1,0,1,0,0|2,0,0]=4 27756 B13R1.28 CCSCCSCC1CCCCC1 62a_100000211423_100000757381 [0,1,0,1,0,0|2,0,0]=4 27757 B13R1.28 CCSCCSCC1CCCCC1 62a_100000757381_100000211423 [0,1,0,1,0,0|2,0,0]=4 27758 B13R1.28 CCSCCSCC1CCCCO1 62a_100000211543_100000757381 [0,1,0,1,0,0|1,0,0]=3 27759 B13R1.28 CCSCCSCC1CCCCO1 62a_100000757381_100000211543 [0,1,0,1,0,0|1,0,0]=3 27760 B13R1.28 CCSCCSCC1CCCOC1 62a_100000741521_100000757381 [0,1,0,1,0,0|2,0,0]=4 27761 B13R1.28 CCSCCSCC1CCCOC1 62a_100000757381_100000741521 [0,1,0,1,0,0|2,0,0]=4 27762 B13R1.28 CNCCCCOC1CCCCO1 2230a_106832991635_100000031530 [0,1,0,1,0,0|1,0,0]=3 27763 B13R1.28 CNCCCCOC1CCCCO1 34a_100102657272_100000031530 [0,1,0,1,0,0|1,0,0]=3 27764 B13R1.28 CNCCCCOC1CCCCO1 7a_106832991635_100000031530 [0,1,0,1,0,0|1,0,0]=3 27765 B13R1.28 CNCCCOCC1CCCCC1 34a_100000213112_100000211423 [0,1,0,1,0,0|2,0,0]=4 27766 B13R1.28 CNCCCOCC1CCCCO1 34a_100000213112_100000211543 [0,1,0,1,0,0|1,0,0]=3 27767 B13R1.28 CNCCCOCC1CCCOC1 34a_100000213112_100000741521 [0,1,0,1,0,0|2,0,0]=4 27768 B13R1.28 COCCCCCN1CCCCC1 34a_100011216611_200000210301 [0,1,0,1,0,0|1,0,0]=3 27769 B13R1.28 COCCCCCN1CCCCC1 7a_100011216611_200000210301 [0,1,0,1,0,0|1,0,0]=3 27770 B13R1.28 COCCCCNC1CCCCC1 2230a_100000182618_100000730899 [0,1,0,1,0,0|1,0,0]=3 27771 B13R1.28 COCCCCNC1CCCCC1 34a_100000182618_100000755781 [0,1,0,1,0,0|1,0,0]=3 27772 B13R1.28 COCCCCNC1CCCOC1 2230a_100000719290_100000730899 [0,1,0,1,0,0|2,0,0]=4 27773 B13R1.28 COCCCCNC1CCCOC1 34a_100000719290_100000755781 [0,1,0,1,0,0|2,0,0]=4 27774 B13R1.28 COCCCCNC1CCOCC1 2230a_100000741149_100000730899 [0,1,0,1,0,0|2,0,0]=4 27775 B13R1.28 COCCCCNC1CCOCC1 34a_100000741149_100000755781 [0,1,0,1,0,0|2,0,0]=4 27776 B13R1.28 COCCCCNC1CCSCC1 2230a_100000748639_100000730899 [0,1,0,1,0,0|2,0,0]=4 27777 B13R1.28 COCCCCNC1CCSCC1 34a_100000748639_100000755781 [0,1,0,1,0,0|2,0,0]=4 27778 B13R1.28 COCCCCOC1CCCCC1 34a_100000210231_100000755781 [0,1,0,1,0,0|1,0,0]=3 27779 B13R1.28 COCCCCOC1CCCCC1 34a_100000740925_100000210327 [0,1,0,1,0,0|1,0,0]=3 27780 B13R1.28 COCCCCOC1CCCCC1 7a_100000210231_100000730899 [0,1,0,1,0,0|1,0,0]=3 27781 B13R1.28 COCCCCOC1CCCCO1 34a_100000033831_100000755781 [0,1,0,1,0,0|1,0,0]=3 27782 B13R1.28 COCCCCOC1CCCCO1 34a_100138415774_100000031530 [0,1,0,1,0,0|1,0,0]=3 27783 B13R1.28 COCCCCOC1CCCOC1 34a_100000740925_100000693364 [0,1,0,1,0,0|2,0,0]=4 27784 B13R1.28 COCCCCOC1CCCOC1 34a_100000754041_100000755781 [0,1,0,1,0,0|2,0,0]=4 27785 B13R1.28 COCCCCOC1CCCSC1 7a_100015962668_100000730899 [0,1,0,1,0,0|2,0,0]=4 27786 B13R1.28 COCCCCOC1CCOCC1 34a_100000744328_100000755781 [0,1,0,1,0,0|2,0,0]=4 27787 B13R1.28 COCCCCOC1CCSCC1 34a_100000731022_100000755781 [0,1,0,1,0,0|2,0,0]=4 27788 B13R1.28 COCCCCOC1CCSCC1 34a_100000740925_100000069128 [0,1,0,1,0,0|2,0,0]=4 27789 B13R1.28 COCCCCOC1CCSCC1 7a_100000731022_100000730899 [0,1,0,1,0,0|2,0,0]=4 27790 B13R1.28 COCCCCSC1CCCCC1 62a_100000210327_100000730899 [0,1,0,1,0,0|1,0,0]=3 27791 B13R1.28 COCCCCSC1CCCCC1 62a_100000730899_100000210327 [0,1,0,1,0,0|1,0,0]=3 27792 B13R1.28 COCCCCSC1CCCOC1 62a_100000730899_100000693364 [0,1,0,1,0,0|2,0,0]=4 27793 B13R1.28 COCCCCSC1CCOCC1 62a_100000730899_100011324220 [0,1,0,1,0,0|2,0,0]=4 27794 B13R1.28 COCCCCSC1CCSCC1 62a_100000730899_100000069128 [0,1,0,1,0,0|2,0,0]=4 27795 B13R1.28 COCCCNCC1CCCCC1 2230a_100000210473_100000740836 [0,1,0,1,0,0|1,0,0]=3 27796 B13R1.28 COCCCNCC1CCCCC1 269862a_100150723488_100000211278 [0,1,0,1,0,0|1,0,0]=3 27797 B13R1.28 COCCCNCC1CCCCC1 34a_100000210473_100000740836 [0,1,0,1,0,0|1,0,0]=3 27798 B13R1.28 COCCCNCC1CCCCC1 34a_100150723488_100000211423 [0,1,0,1,0,0|1,0,0]=3 27799 B13R1.28 COCCCNCC1CCCCO1 2230a_100000174945_100000740836 [0,1,0,1,0,0|1,0,0]=3 27800 B13R1.28 COCCCNCC1CCCCO1 34a_100000174945_100000740836 [0,1,0,1,0,0|1,0,0]=3 27801 B13R1.28 COCCCNCC1CCCCO1 34a_100150723488_100000211543 [0,1,0,1,0,0|1,0,0]=3 27802 B13R1.28 COCCCNCC1CCCOC1 2230a_100000720124_100000740836 [0,1,0,1,0,0|2,0,0]=4 27803 B13R1.28 COCCCNCC1CCCOC1 34a_100000720124_100000740836 [0,1,0,1,0,0|2,0,0]=4 27804 B13R1.28 COCCCNCC1CCCOC1 34a_100150723488_100000741521 [0,1,0,1,0,0|2,0,0]=4 27805 B13R1.28 COCCCNCC1CCOCC1 2230a_100000746373_100000740836 [0,1,0,1,0,0|2,0,0]=4 27806 B13R1.28 COCCCNCC1CCOCC1 269862a_100150723488_100000749017 [0,1,0,1,0,0|2,0,0]=4 27807 B13R1.28 COCCCNCC1CCOCC1 34a_100000746373_100000740836 [0,1,0,1,0,0|2,0,0]=4 27808 B13R1.28 COCCCNCC1CCOCC1 34a_100150723488_100000754603 [0,1,0,1,0,0|2,0,0]=4 27809 B13R1.28 COCCCNCC1CCSCC1 2230a_100015188806_100000740836 [0,1,0,1,0,0|2,0,0]=4 27810 B13R1.28 COCCCNCC1CCSCC1 269862a_100150723488_100000067145 [0,1,0,1,0,0|2,0,0]=4 27811 B13R1.28 COCCCNCC1CCSCC1 270004a_100150723488_100000067145 [0,1,0,1,0,0|2,0,0]=4 27812 B13R1.28 COCCCNCC1CCSCC1 34a_100015188806_100000740836 [0,1,0,1,0,0|2,0,0]=4 27813 B13R1.28 COCCCNC[C@H]1COCCO1 2230a_100010981119_100000740836 [0,1,0,1,0,0|2,0,0]=4 27814 B13R1.28 COCCCNC[C@H]1COCCO1 34a_100010981119_100000740836 [0,1,0,1,0,0|2,0,0]=4 27815 B13R1.28 COCCCOCC1CCCCC1 34a_100000212181_100000740836 [0,1,0,1,0,0|1,0,0]=3 27816 B13R1.28 COCCCOCC1CCCCC1 34a_100000740835_100000211423 [0,1,0,1,0,0|1,0,0]=3 27817 B13R1.28 COCCCOCC1CCCCC1 7a_100000212181_100000740836 [0,1,0,1,0,0|1,0,0]=3 27818 B13R1.28 COCCCOCC1CCCCN1 34a_100000210821_100000740836 [0,1,0,1,0,0|2,0,0]=4 27819 B13R1.28 COCCCOCC1CCCCO1 34a_100000211370_100000740836 [0,1,0,1,0,0|1,0,0]=3 27820 B13R1.28 COCCCOCC1CCCCO1 34a_100000740835_100000211543 [0,1,0,1,0,0|1,0,0]=3 27821 B13R1.28 COCCCOCC1CCCCO1 7a_100000211370_100000740836 [0,1,0,1,0,0|1,0,0]=3 27822 B13R1.28 COCCCOCC1CCCNC1 34a_100000211344_100000740836 [0,1,0,1,0,0|2,0,0]=4 27823 B13R1.28 COCCCOCC1CCCOC1 34a_100000740835_100000741521 [0,1,0,1,0,0|2,0,0]=4 27824 B13R1.28 COCCCOCC1CCCOC1 34a_100000741520_100000740836 [0,1,0,1,0,0|2,0,0]=4 27825 B13R1.28 COCCCOCC1CCNCC1 34a_100000738675_100000740836 [0,1,0,1,0,0|2,0,0]=4 27826 B13R1.28 COCCCOCC1CCOCC1 34a_100000740835_100000754603 [0,1,0,1,0,0|2,0,0]=4 27827 B13R1.28 COCCCOCC1CCOCC1 34a_100000749013_100000740836 [0,1,0,1,0,0|2,0,0]=4 27828 B13R1.28 COCCCOCC1CCSCC1 34a_100000070558_100000740836 [0,1,0,1,0,0|2,0,0]=4 27829 B13R1.28 COCCCOCC1CCSCC1 7a_100000070558_100000740836 [0,1,0,1,0,0|2,0,0]=4 27830 B13R1.28 COCCCOC[C@@H]1CNCCO1 34a_100015189573_100000740836 [0,1,0,1,0,0|2,0,0]=4 27831 B13R1.28 COCCCOC[C@H]1COCCO1 34a_100009875890_100000740836 [0,1,0,1,0,0|2,0,0]=4 27832 B13R1.28 COCCCSCC1CCCCC1 62a_100000211423_100000709357 [0,1,0,1,0,0|1,0,0]=3 27833 B13R1.28 COCCCSCC1CCCCC1 62a_100000709357_100000211423 [0,1,0,1,0,0|1,0,0]=3 27834 B13R1.28 COCCCSCC1CCCCO1 62a_100000211543_100000709357 [0,1,0,1,0,0|1,0,0]=3 27835 B13R1.28 COCCCSCC1CCCCO1 62a_100000709357_100000211543 [0,1,0,1,0,0|1,0,0]=3 27836 B13R1.28 COCCCSCC1CCCOC1 62a_100000709357_100000741521 [0,1,0,1,0,0|2,0,0]=4 27837 B13R1.28 COCCCSCC1CCCOC1 62a_100000741521_100000709357 [0,1,0,1,0,0|2,0,0]=4 27838 B13R1.28 COCCCSCC1CCOCC1 62a_100000709357_100000749018 [0,1,0,1,0,0|2,0,0]=4 27839 B13R1.28 COCCCSCC1CCOCC1 62a_100000754603_100000709357 [0,1,0,1,0,0|2,0,0]=4 27840 B13R1.28 COCCNCCC1CCCCC1 2230a_100000209980_100012355289 [0,1,0,1,0,0|1,0,0]=3 27841 B13R1.28 COCCNCCC1CCCCC1 2230a_100000738074_100011201679 [0,1,0,1,0,0|1,0,0]=3 27842 B13R1.28 COCCNCCC1CCCCC1 270004a_100000209980_100011713444 [0,1,0,1,0,0|1,0,0]=3 27843 B13R1.28 COCCNCCC1CCCCC1 34a_100000738074_100011201679 [0,1,0,1,0,0|1,0,0]=3 27844 B13R1.28 COCCNCCC1CCCCO1 2230a_100015183643_100011201679 [0,1,0,1,0,0|1,0,0]=3 27845 B13R1.28 COCCNCCC1CCCCO1 34a_100015183643_100011201679 [0,1,0,1,0,0|1,0,0]=3 27846 B13R1.28 COCCNCCC1CCOCC1 2230a_100000209980_100011934994 [0,1,0,1,0,0|2,0,0]=4 27847 B13R1.28 COCCNCCC1CCOCC1 2230a_100000755988_100011201679 [0,1,0,1,0,0|2,0,0]=4 27848 B13R1.28 COCCNCCC1CCOCC1 34a_100000755988_100011201679 [0,1,0,1,0,0|2,0,0]=4 27849 B13R1.28 COCCNCCC1OCCCO1 2230a_100000209980_100000764188 [0,1,0,1,0,0|2,0,0]=4 27850 B13R1.28 COCCNCCN1CCCCC1 2230a_100000209980_100000739454 [0,1,0,1,0,0|2,0,0]=4 27851 B13R1.28 COCCNCOC1CCCCC1 2230a_100000209980_100011935260 [0,1,0,1,0,0|2,0,0]=4 27852 B13R1.28 COCCOCCC1CCCCC1 34a_100000210237_100011209188 [0,1,0,1,0,0|1,0,0]=3 27853 B13R1.28 COCCOCCC1CCCCC1 34a_100011217863_100011201679 [0,1,0,1,0,0|1,0,0]=3 27854 B13R1.28 COCCOCCC1CCCCC1 7a_100011217863_100000233755 [0,1,0,1,0,0|1,0,0]=3 27855 B13R1.28 COCCOCCC1CCCCN1 34a_100000211664_100011201679 [0,1,0,1,0,0|2,0,0]=4 27856 B13R1.28 COCCOCCC1CCCNC1 34a_100000752241_100011201679 [0,1,0,1,0,0|2,0,0]=4 27857 B13R1.28 COCCOCCC1CCNCC1 34a_100015190746_100011201679 [0,1,0,1,0,0|2,0,0]=4 27858 B13R1.28 COCCOCCC1CCOCC1 34a_100000210237_100011934994 [0,1,0,1,0,0|2,0,0]=4 27859 B13R1.28 COCCOCCC1CCOCC1 34a_100011933979_100011201679 [0,1,0,1,0,0|2,0,0]=4 27860 B13R1.28 COCCOCCC1CCOCC1 7a_100011933979_100000233755 [0,1,0,1,0,0|2,0,0]=4 27861 B13R1.28 COCCOCCC1OCCCO1 34a_100000210237_100000764188 [0,1,0,1,0,0|2,0,0]=4 27862 B13R1.28 COCCOCCN1CCCCC1 34a_100000210237_100000739454 [0,1,0,1,0,0|2,0,0]=4 27863 B13R1.28 COCCOCCN1CCCCC1 34a_200011409831_200000210301 [0,1,0,1,0,0|2,0,0]=4 27864 B13R1.28 COCCOCCN1CCCCC1 7a_200011409831_200000210301 [0,1,0,1,0,0|2,0,0]=4 27865 B13R1.28 COCCOCNC1CCCCC1 2230a_100000182618_100000231047 [0,1,0,1,0,0|2,0,0]=4 27866 B13R1.28 COCCOCOC1CCCCC1 34a_100000210237_100011935260 [0,1,0,1,0,0|2,0,0]=4 27867 B13R1.28 COCCOCSC1CCCCC1 62a_100000210327_100000231047 [0,1,0,1,0,0|2,0,0]=4 27868 B13R1.28 COCCOCSC1CCCCC1 62a_100000231047_100000210327 [0,1,0,1,0,0|2,0,0]=4 27869 B13R1.28 COCCSCCC1CCCCC1 62a_100000233755_100012355289 [0,1,0,1,0,0|1,0,0]=3 27870 B13R1.28 COCCSCCC1CCCCC1 62a_100012355289_100000233755 [0,1,0,1,0,0|1,0,0]=3 27871 B13R1.28 COCCSCCC1CCOCC1 62a_100000233755_100011934994 [0,1,0,1,0,0|2,0,0]=4 27872 B13R1.28 COCCSCCC1CCOCC1 62a_100011934994_100000233755 [0,1,0,1,0,0|2,0,0]=4 27873 B13R1.28 COCCSCCC1OCCCO1 62a_100000233755_100000764188 [0,1,0,1,0,0|2,0,0]=4 27874 B13R1.28 COCCSCCC1OCCCO1 62a_100000764188_100000233755 [0,1,0,1,0,0|2,0,0]=4 27875 B13R1.28 COCCSCCN1CCCCC1 62a_100000233755_100000739454 [0,1,0,1,0,0|2,0,0]=4 27876 B13R1.28 COCCSCCN1CCCCC1 62a_100000739454_100000233755 [0,1,0,1,0,0|2,0,0]=4 27877 B13R1.28 COCCSCOC1CCCCC1 62a_100000233755_100011935260 [0,1,0,1,0,0|2,0,0]=4 27878 B13R1.28 COCCSCOC1CCCCC1 62a_100011935260_100000233755 [0,1,0,1,0,0|2,0,0]=4 27879 B13R1.28 COCNCCCC1CCCCC1 2230a_100011211642_100000766300 [0,1,0,1,0,0|1,0,0]=3 27880 B13R1.28 COCSCCCC1CCCCC1 62a_100000766300_100011713725 [0,1,0,1,0,0|1,0,0]=3 27881 B13R1.28 COCSCCCC1CCCCC1 62a_100011713725_100000766300 [0,1,0,1,0,0|1,0,0]=3 27882 B13R1.28 COCSCCCN1CCCCC1 62a_100000766300_100000007876 [0,1,0,1,0,0|2,0,0]=4 27883 B13R1.28 COCSCCCN1CCCCC1 62a_100132302099_100000766300 [0,1,0,1,0,0|2,0,0]=4 27884 B13R1.28 COCSCCOC1CCCCC1 62a_100000766300_100011211530 [0,1,0,1,0,0|2,0,0]=4 27885 B13R1.28 COCSCCOC1CCCCC1 62a_100011211530_100000766300 [0,1,0,1,0,0|2,0,0]=4 27886 B13R1.28 COCSCCOC1CCCCO1 62a_100000744793_100000766300 [0,1,0,1,0,0|2,0,0]=4 27887 B13R1.28 COCSCCOC1CCCCO1 62a_100000766300_100000744793 [0,1,0,1,0,0|2,0,0]=4 27888 B13R1.28 CSCCCCOC1CCCCC1 34a_100011217163_100000210327 [0,1,0,1,0,0|1,1,0]=4 27889 B13R1.28 CSCCCCOC1CCCCC1 7a_100011217163_100000210327 [0,1,0,1,0,0|1,1,0]=4 27890 B13R1.28 CSCCCCOC1CCCCO1 62a_100000031530_200000210301 [0,1,0,1,0,0|1,0,0]=3 27891 B13R1.28 CSCCCCOC1CCCCO1 62a_200000210301_100000031530 [0,1,0,1,0,0|1,0,0]=3 27892 B13R1.28 CSCCCCOC1CCCOC1 34a_100011217163_100000693364 [0,1,0,1,0,0|2,0,0]=4 27893 B13R1.28 CSCCCCOC1CCCOC1 7a_100011217163_100000693364 [0,1,0,1,0,0|2,0,0]=4 27894 B13R1.28 CSCCCNCC1CCCCC1 2230a_100000749238_100000211423 [0,1,0,1,0,0|1,1,0]=4 27895 B13R1.28 CSCCCNCC1CCCCC1 269862a_100000749238_100000211278 [0,1,0,1,0,0|1,1,0]=4 27896 B13R1.28 CSCCCNCC1CCCCO1 2230a_100000749238_100000211543 [0,1,0,1,0,0|1,0,0]=3 27897 B13R1.28 CSCCCNCC1CCCOC1 2230a_100000749238_100000741521 [0,1,0,1,0,0|2,0,0]=4 27898 B13R1.28 CSCCCOCC1CCCCC1 34a_100000690336_100000211423 [0,1,0,1,0,0|1,1,0]=4 27899 B13R1.28 CSCCCOCC1CCCCC1 7a_100000690336_100000211423 [0,1,0,1,0,0|1,1,0]=4 27900 B13R1.28 CSCCCOCC1CCCCO1 34a_100000690336_100000211543 [0,1,0,1,0,0|1,0,0]=3 27901 B13R1.28 CSCCCOCC1CCCCO1 7a_100000690336_100000211543 [0,1,0,1,0,0|1,0,0]=3 27902 B13R1.28 CSCCCOCC1CCCOC1 34a_100000690336_100000741521 [0,1,0,1,0,0|2,0,0]=4 27903 B13R1.28 CSCCCOCC1CCCOC1 7a_100000690336_100000741521 [0,1,0,1,0,0|2,0,0]=4 27904 B13R1.28 CSCCNCCC1CCCCC1 2230a_100000738074_100000751147 [0,1,0,1,0,0|1,1,0]=4 27905 B13R1.28 CSCCNCCC1CCCCC1 2230a_100020590264_100012355289 [0,1,0,1,0,0|1,1,0]=4 27906 B13R1.28 CSCCNCCC1CCCCC1 270004a_100020590264_100011713444 [0,1,0,1,0,0|1,1,0]=4 27907 B13R1.28 CSCCNCCC1CCCCC1 34a_100000738074_100000212216 [0,1,0,1,0,0|1,1,0]=4 27908 B13R1.28 CSCCNCCC1CCCCO1 2230a_100015183643_100000751147 [0,1,0,1,0,0|1,0,0]=3 27909 B13R1.28 CSCCNCCC1CCCCO1 34a_100015183643_100000212216 [0,1,0,1,0,0|1,0,0]=3 27910 B13R1.28 CSCCNCCC1OCCCO1 2230a_100020590264_100000764188 [0,1,0,1,0,0|2,0,0]=4 27911 B13R1.28 CSCCOCCC1CCCCC1 34a_100000230434_100011209188 [0,1,0,1,0,0|1,1,0]=4 27912 B13R1.28 CSCCOCCC1CCCCC1 34a_100011217863_100000212216 [0,1,0,1,0,0|1,1,0]=4 27913 B13R1.28 CSCCOCCC1CCCCC1 7a_100000230434_100011273959 [0,1,0,1,0,0|1,1,0]=4 27914 B13R1.28 CSCCOCCC1CCCCC1 7a_100011217863_100000212216 [0,1,0,1,0,0|1,1,0]=4 27915 B13R1.28 CSCCOCCC1CCCCN1 34a_100000211664_100000212216 [0,1,0,1,0,0|2,0,0]=4 27916 B13R1.28 CSCCOCCC1OCCCO1 34a_100000230434_100000764188 [0,1,0,1,0,0|2,0,0]=4 27917 B13R1.28 CSCCOCCC1OCCCO1 7a_100000230434_100000764188 [0,1,0,1,0,0|2,0,0]=4 27918 B13R1.28 CSCCSCCC1CCCCC1 62a_100000212216_100012355289 [0,1,0,1,0,0|1,1,0]=4 27919 B13R1.28 CSCCSCCC1CCCCC1 62a_100012355289_100000751147 [0,1,0,1,0,0|1,1,0]=4 27920 B13R1.28 CSCCSCCC1OCCCO1 62a_100000212216_100000764188 [0,1,0,1,0,0|2,0,0]=4 27921 B13R1.28 CSCCSCCC1OCCCO1 62a_100000764188_100000751147 [0,1,0,1,0,0|2,0,0]=4 27922 B13R1.28 CSCNCCCC1CCCCC1 2230a_100011211642_100011218213 [0,1,0,1,0,0|1,1,0]=4 27923 B13R1.28 CSCNCCCC1CCCCC1 34a_100011211642_100011218213 [0,1,0,1,0,0|1,1,0]=4 27924 B13R1.28 CSCOCCCC1CCCCC1 34a_100000198086_100011218213 [0,1,0,1,0,0|1,1,0]=4 27925 B13R1.28 CSCOCCCC1CCCCN1 34a_100011934581_100011218213 [0,1,0,1,0,0|2,0,0]=4 27926 B13R1.28 CSCOCCOC1CCCCO1 34a_100000034223_100011218213 [0,1,0,1,0,0|2,0,0]=4 27927 B13R1.28 CSCSCCCC1CCCCC1 62a_100011218213_100011713725 [0,1,0,1,0,0|1,1,0]=4 27928 B13R1.28 CSCSCCCC1CCCCC1 62a_100011713725_100011218213 [0,1,0,1,0,0|1,1,0]=4 27929 B13R1.28 CSCSCCOC1CCCCO1 62a_100000744793_100011218213 [0,1,0,1,0,0|2,0,0]=4 27930 B13R1.28 CSCSCCOC1CCCCO1 62a_100011218213_100000744793 [0,1,0,1,0,0|2,0,0]=4 27931 B13R1.28 ClCCCCCOC1CCCCC1 34a_100000746330_100000210327 [0,1,0,1,0,0|1,0,0]=3 27932 B13R1.28 ClCCCCCOC1CCCCC1 7a_100000746330_100000210327 [0,1,0,1,0,0|1,0,0]=3 27933 B13R1.28 ClCCCCCOC1CCCOC1 34a_100000746330_100000693364 [0,1,0,1,0,0|2,0,0]=4 27934 B13R1.28 ClCCCCCOC1CCCOC1 7a_100000746330_100000693364 [0,1,0,1,0,0|2,0,0]=4 27935 B13R1.28 ClCCCCCOC1CCOCC1 7a_100000746330_100000686592 [0,1,0,1,0,0|2,0,0]=4 27936 B13R1.28 ClCCCCCOC1CCSCC1 34a_100000746330_100000069128 [0,1,0,1,0,0|2,0,0]=4 27937 B13R1.28 ClCCCCCOC1CCSCC1 7a_100000746330_100011500858 [0,1,0,1,0,0|2,0,0]=4 27938 B13R1.28 ClCCCCOCC1CCCCC1 34a_100000210776_100000211423 [0,1,0,1,0,0|1,0,0]=3 27939 B13R1.28 ClCCCCOCC1CCCCC1 7a_100000210776_100000211423 [0,1,0,1,0,0|1,0,0]=3 27940 B13R1.28 ClCCCCOCC1CCCCO1 34a_100000210776_100000211543 [0,1,0,1,0,0|1,0,0]=3 27941 B13R1.28 ClCCCCOCC1CCCCO1 7a_100000210776_100000211543 [0,1,0,1,0,0|1,0,0]=3 27942 B13R1.28 ClCCCCOCC1CCCOC1 34a_100000210776_100000741521 [0,1,0,1,0,0|2,0,0]=4 27943 B13R1.28 ClCCCCOCC1CCCOC1 7a_100000210776_100000741521 [0,1,0,1,0,0|2,0,0]=4 27944 B13R1.28 ClCCCCOCC1CCOCC1 34a_100000210776_100000754603 [0,1,0,1,0,0|2,0,0]=4 27945 B13R1.28 ClCCCCOCC1CCOCC1 7a_100000210776_100000754603 [0,1,0,1,0,0|2,0,0]=4 27946 B13R1.28 ClCCCOCCC1CCCCC1 34a_100000230001_100011209188 [0,1,0,1,0,0|1,0,0]=3 27947 B13R1.28 ClCCCOCCC1CCOCC1 34a_100000230001_100011934994 [0,1,0,1,0,0|2,0,0]=4 27948 B13R1.28 ClCCCOCCC1OCCCO1 34a_100000230001_100000764188 [0,1,0,1,0,0|2,0,0]=4 27949 B13R1.28 ClCCCOCCN1CCCCC1 34a_100000230001_100000739454 [0,1,0,1,0,0|2,0,0]=4 27950 B13R1.28 ClCCCOCOC1CCCCC1 34a_100000230001_100011935260 [0,1,0,1,0,0|2,0,0]=4 27951 B13R1.28 ClCCOCCOC1CCCCC1 34a_100011215305_100000210327 [0,1,0,1,0,0|2,0,0]=4 27952 B13R1.28 ClCCOCCOC1CCCCC1 7a_100011215305_100000210327 [0,1,0,1,0,0|2,0,0]=4 27953 B13R1.28 FCCCCCCN1CCCOC1 2230a_100000131196_100015922095 [0,1,0,1,0,0|2,0,0]=4 27954 B13R1.28 FCCCCCCN1CCCOC1 269982a_100000131196_100015922095 [0,1,0,1,0,0|2,0,0]=4 27955 B13R1.28 FCCCCCCN1CCCOC1 34a_100000131196_100015922095 [0,1,0,1,0,0|2,0,0]=4 27956 B13R1.28 FCCCCCCN1CCOCC1 2230a_100015191051_100015922095 [0,1,0,1,0,0|2,0,0]=4 27957 B13R1.28 FCCCCCCN1CCOCC1 269982a_100015191051_100015922095 [0,1,0,1,0,0|2,0,0]=4 27958 B13R1.28 FCCCCCCN1CCOCC1 34a_100015191051_100015922095 [0,1,0,1,0,0|2,0,0]=4 27959 B13R1.28 FCCCCCCN1CCSCC1 2230a_100000737611_100015922095 [0,1,0,1,0,0|2,0,0]=4 27960 B13R1.28 FCCCCCCN1CCSCC1 269982a_100000737611_100015922095 [0,1,0,1,0,0|2,0,0]=4 27961 B13R1.28 FCCCCCNC1CCCCC1 2230a_100000182618_100000729378 [0,1,0,1,0,0|1,0,0]=3 27962 B13R1.28 FCCCCCNC1CCCCC1 34a_100000182618_100000729378 [0,1,0,1,0,0|1,0,0]=3 27963 B13R1.28 FCCCCCNC1CCCOC1 2230a_100000719290_100000729378 [0,1,0,1,0,0|2,0,0]=4 27964 B13R1.28 FCCCCCNC1CCCOC1 34a_100000719290_100000729378 [0,1,0,1,0,0|2,0,0]=4 27965 B13R1.28 FCCCCCNC1CCOCC1 2230a_100000741149_100000729378 [0,1,0,1,0,0|2,0,0]=4 27966 B13R1.28 FCCCCCNC1CCOCC1 34a_100000741149_100000729378 [0,1,0,1,0,0|2,0,0]=4 27967 B13R1.28 FCCCCCNC1CCSCC1 2230a_100000748639_100000729378 [0,1,0,1,0,0|2,0,0]=4 27968 B13R1.28 FCCCCCNC1CCSCC1 34a_100000748639_100000729378 [0,1,0,1,0,0|2,0,0]=4 27969 B13R1.28 FCCCCCOC1CCCCC1 34a_100000210231_100000729378 [0,1,0,1,0,0|1,0,0]=3 27970 B13R1.28 FCCCCCOC1CCCCC1 7a_100000210231_100000729378 [0,1,0,1,0,0|1,0,0]=3 27971 B13R1.28 FCCCCCOC1CCCCO1 34a_100000033831_100000729378 [0,1,0,1,0,0|1,0,0]=3 27972 B13R1.28 FCCCCCOC1CCCOC1 34a_100000754041_100000729378 [0,1,0,1,0,0|2,0,0]=4 27973 B13R1.28 FCCCCCOC1CCCSC1 7a_100015962668_100000729378 [0,1,0,1,0,0|2,0,0]=4 27974 B13R1.28 FCCCCCOC1CCOCC1 34a_100000744328_100000729378 [0,1,0,1,0,0|2,0,0]=4 27975 B13R1.28 FCCCCCOC1CCSCC1 34a_100000731022_100000729378 [0,1,0,1,0,0|2,0,0]=4 27976 B13R1.28 FCCCCCOC1CCSCC1 7a_100000731022_100000729378 [0,1,0,1,0,0|2,0,0]=4 27977 B13R1.28 FCCCCCSC1CCCCC1 62a_100000210327_100000729378 [0,1,0,1,0,0|1,0,0]=3 27978 B13R1.28 FCCCCCSC1CCCCC1 62a_100000729378_100000210327 [0,1,0,1,0,0|1,0,0]=3 27979 B13R1.28 FCCCCCSC1CCCOC1 62a_100000729378_100000693364 [0,1,0,1,0,0|2,0,0]=4 27980 B13R1.28 FCCCCCSC1CCOCC1 62a_100000729378_100011324220 [0,1,0,1,0,0|2,0,0]=4 27981 B13R1.28 FCCCCCSC1CCSCC1 62a_100000729378_100000069128 [0,1,0,1,0,0|2,0,0]=4 27982 B13R1.28 FCCCCNCC1CCCCC1 2230a_100000210473_100000729493 [0,1,0,1,0,0|1,0,0]=3 27983 B13R1.28 FCCCCNCC1CCCCC1 34a_100000210473_100000729493 [0,1,0,1,0,0|1,0,0]=3 27984 B13R1.28 FCCCCNCC1CCCCO1 2230a_100000174945_100000729493 [0,1,0,1,0,0|1,0,0]=3 27985 B13R1.28 FCCCCNCC1CCCCO1 34a_100000174945_100000729493 [0,1,0,1,0,0|1,0,0]=3 27986 B13R1.28 FCCCCNCC1CCCOC1 2230a_100000720124_100000729493 [0,1,0,1,0,0|2,0,0]=4 27987 B13R1.28 FCCCCNCC1CCCOC1 34a_100000720124_100000729493 [0,1,0,1,0,0|2,0,0]=4 27988 B13R1.28 FCCCCNCC1CCOCC1 2230a_100000746373_100000729493 [0,1,0,1,0,0|2,0,0]=4 27989 B13R1.28 FCCCCNCC1CCOCC1 34a_100000746373_100000729493 [0,1,0,1,0,0|2,0,0]=4 27990 B13R1.28 FCCCCNCC1CCSCC1 2230a_100015188806_100000729493 [0,1,0,1,0,0|2,0,0]=4 27991 B13R1.28 FCCCCNCC1CCSCC1 34a_100015188806_100000729493 [0,1,0,1,0,0|2,0,0]=4 27992 B13R1.28 FCCCCNC[C@H]1COCCO1 2230a_100010981119_100000729493 [0,1,0,1,0,0|2,0,0]=4 27993 B13R1.28 FCCCCNC[C@H]1COCCO1 34a_100010981119_100000729493 [0,1,0,1,0,0|2,0,0]=4 27994 B13R1.28 FCCCCOCC1CCCCC1 34a_100000212181_100000729493 [0,1,0,1,0,0|1,0,0]=3 27995 B13R1.28 FCCCCOCC1CCCCC1 34a_100011995726_100000211423 [0,1,0,1,0,0|1,0,0]=3 27996 B13R1.28 FCCCCOCC1CCCCC1 7a_100000212181_100000729493 [0,1,0,1,0,0|1,0,0]=3 27997 B13R1.28 FCCCCOCC1CCCCC1 7a_100011995726_100000211423 [0,1,0,1,0,0|1,0,0]=3 27998 B13R1.28 FCCCCOCC1CCCCN1 34a_100000210821_100000729493 [0,1,0,1,0,0|2,0,0]=4 27999 B13R1.28 FCCCCOCC1CCCCO1 34a_100000211370_100000729493 [0,1,0,1,0,0|1,0,0]=3 28000 B13R1.28 FCCCCOCC1CCCCO1 34a_100011995726_100000211543 [0,1,0,1,0,0|1,0,0]=3 28001 B13R1.28 FCCCCOCC1CCCCO1 7a_100000211370_100000729493 [0,1,0,1,0,0|1,0,0]=3 28002 B13R1.28 FCCCCOCC1CCCCO1 7a_100011995726_100000211543 [0,1,0,1,0,0|1,0,0]=3 28003 B13R1.28 FCCCCOCC1CCCNC1 34a_100000211344_100000729493 [0,1,0,1,0,0|2,0,0]=4 28004 B13R1.28 FCCCCOCC1CCCOC1 34a_100000741520_100000729493 [0,1,0,1,0,0|2,0,0]=4 28005 B13R1.28 FCCCCOCC1CCCOC1 34a_100011995726_100000741521 [0,1,0,1,0,0|2,0,0]=4 28006 B13R1.28 FCCCCOCC1CCCOC1 7a_100011995726_100000741521 [0,1,0,1,0,0|2,0,0]=4 28007 B13R1.28 FCCCCOCC1CCNCC1 34a_100000738675_100000729493 [0,1,0,1,0,0|2,0,0]=4 28008 B13R1.28 FCCCCOCC1CCOCC1 34a_100000749013_100000729493 [0,1,0,1,0,0|2,0,0]=4 28009 B13R1.28 FCCCCOCC1CCOCC1 34a_100011995726_100000754603 [0,1,0,1,0,0|2,0,0]=4 28010 B13R1.28 FCCCCOCC1CCOCC1 7a_100011995726_100000754603 [0,1,0,1,0,0|2,0,0]=4 28011 B13R1.28 FCCCCOCC1CCSCC1 34a_100000070558_100000729493 [0,1,0,1,0,0|2,0,0]=4 28012 B13R1.28 FCCCCOCC1CCSCC1 7a_100000070558_100000729493 [0,1,0,1,0,0|2,0,0]=4 28013 B13R1.28 FCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000729493 [0,1,0,1,0,0|2,0,0]=4 28014 B13R1.28 FCCCCOC[C@H]1COCCO1 34a_100009875890_100000729493 [0,1,0,1,0,0|2,0,0]=4 28015 B13R1.28 FCCCCSCC1CCCCC1 62a_100000211423_100000729493 [0,1,0,1,0,0|1,0,0]=3 28016 B13R1.28 FCCCCSCC1CCCCC1 62a_100000729493_100000211423 [0,1,0,1,0,0|1,0,0]=3 28017 B13R1.28 FCCCCSCC1CCCCO1 62a_100000211543_100000729493 [0,1,0,1,0,0|1,0,0]=3 28018 B13R1.28 FCCCCSCC1CCCCO1 62a_100000729493_100000211543 [0,1,0,1,0,0|1,0,0]=3 28019 B13R1.28 FCCCCSCC1CCCOC1 62a_100000729493_100000741521 [0,1,0,1,0,0|2,0,0]=4 28020 B13R1.28 FCCCCSCC1CCCOC1 62a_100000741521_100000729493 [0,1,0,1,0,0|2,0,0]=4 28021 B13R1.28 FCCCCSCC1CCOCC1 62a_100000729493_100000749018 [0,1,0,1,0,0|2,0,0]=4 28022 B13R1.28 FCCCCSCC1CCOCC1 62a_100000754603_100000729493 [0,1,0,1,0,0|2,0,0]=4 28023 B13R1.28 FCCCNCCC1CCCCC1 2230a_100000738074_100011934791 [0,1,0,1,0,0|1,0,0]=3 28024 B13R1.28 FCCCNCCC1CCCCC1 2230a_100015189416_100012355289 [0,1,0,1,0,0|1,0,0]=3 28025 B13R1.28 FCCCNCCC1CCCCC1 270004a_100015189416_100011713444 [0,1,0,1,0,0|1,0,0]=3 28026 B13R1.28 FCCCNCCC1CCCCC1 34a_100000738074_100011934791 [0,1,0,1,0,0|1,0,0]=3 28027 B13R1.28 FCCCNCCC1CCCCC1 34a_100015189416_100011209188 [0,1,0,1,0,0|1,0,0]=3 28028 B13R1.28 FCCCNCCC1CCCCO1 2230a_100015183643_100011934791 [0,1,0,1,0,0|1,0,0]=3 28029 B13R1.28 FCCCNCCC1CCCCO1 34a_100015183643_100011934791 [0,1,0,1,0,0|1,0,0]=3 28030 B13R1.28 FCCCNCCC1CCOCC1 2230a_100000755988_100011934791 [0,1,0,1,0,0|2,0,0]=4 28031 B13R1.28 FCCCNCCC1CCOCC1 2230a_100015189416_100011934994 [0,1,0,1,0,0|2,0,0]=4 28032 B13R1.28 FCCCNCCC1CCOCC1 34a_100000755988_100011934791 [0,1,0,1,0,0|2,0,0]=4 28033 B13R1.28 FCCCNCCC1CCOCC1 34a_100015189416_100011934994 [0,1,0,1,0,0|2,0,0]=4 28034 B13R1.28 FCCCNCCC1OCCCO1 2230a_100015189416_100000764188 [0,1,0,1,0,0|2,0,0]=4 28035 B13R1.28 FCCCNCCC1OCCCO1 34a_100015189416_100000764188 [0,1,0,1,0,0|2,0,0]=4 28036 B13R1.28 FCCCNCCN1CCCCC1 2230a_100015189416_100000739454 [0,1,0,1,0,0|2,0,0]=4 28037 B13R1.28 FCCCNCCN1CCCCC1 34a_100015189416_100000739454 [0,1,0,1,0,0|2,0,0]=4 28038 B13R1.28 FCCCNCOC1CCCCC1 2230a_100015189416_100011935260 [0,1,0,1,0,0|2,0,0]=4 28039 B13R1.28 FCCCNCOC1CCCCC1 34a_100015189416_100011935260 [0,1,0,1,0,0|2,0,0]=4 28040 B13R1.28 FCCCOCCC1CCCCC1 34a_100000759539_100011209188 [0,1,0,1,0,0|1,0,0]=3 28041 B13R1.28 FCCCOCCC1CCCCC1 34a_100011217863_100011934791 [0,1,0,1,0,0|1,0,0]=3 28042 B13R1.28 FCCCOCCC1CCCCC1 7a_100011217863_100011934791 [0,1,0,1,0,0|1,0,0]=3 28043 B13R1.28 FCCCOCCC1CCCCN1 34a_100000211664_100011934791 [0,1,0,1,0,0|2,0,0]=4 28044 B13R1.28 FCCCOCCC1CCCNC1 34a_100000752241_100011934791 [0,1,0,1,0,0|2,0,0]=4 28045 B13R1.28 FCCCOCCC1CCNCC1 34a_100015190746_100011934791 [0,1,0,1,0,0|2,0,0]=4 28046 B13R1.28 FCCCOCCC1CCOCC1 34a_100000759539_100011934994 [0,1,0,1,0,0|2,0,0]=4 28047 B13R1.28 FCCCOCCC1CCOCC1 34a_100011933979_100011934791 [0,1,0,1,0,0|2,0,0]=4 28048 B13R1.28 FCCCOCCC1CCOCC1 7a_100011933979_100011934791 [0,1,0,1,0,0|2,0,0]=4 28049 B13R1.28 FCCCOCCC1OCCCO1 34a_100000759539_100000764188 [0,1,0,1,0,0|2,0,0]=4 28050 B13R1.28 FCCCOCCN1CCCCC1 34a_100000759539_100000739454 [0,1,0,1,0,0|2,0,0]=4 28051 B13R1.28 FCCCOCOC1CCCCC1 34a_100000759539_100011935260 [0,1,0,1,0,0|2,0,0]=4 28052 B13R1.28 FCCCSCCC1CCCCC1 62a_100011934791_100012355289 [0,1,0,1,0,0|1,0,0]=3 28053 B13R1.28 FCCCSCCC1CCCCC1 62a_100012355289_100011934791 [0,1,0,1,0,0|1,0,0]=3 28054 B13R1.28 FCCCSCCC1CCOCC1 62a_100011934791_100011934994 [0,1,0,1,0,0|2,0,0]=4 28055 B13R1.28 FCCCSCCC1CCOCC1 62a_100011934994_100011934791 [0,1,0,1,0,0|2,0,0]=4 28056 B13R1.28 FCCCSCCC1OCCCO1 62a_100000764188_100011934791 [0,1,0,1,0,0|2,0,0]=4 28057 B13R1.28 FCCCSCCC1OCCCO1 62a_100011934791_100000764188 [0,1,0,1,0,0|2,0,0]=4 28058 B13R1.28 FCCCSCCN1CCCCC1 62a_100000739454_100011934791 [0,1,0,1,0,0|2,0,0]=4 28059 B13R1.28 FCCCSCCN1CCCCC1 62a_100011934791_100000739454 [0,1,0,1,0,0|2,0,0]=4 28060 B13R1.28 FCCCSCOC1CCCCC1 62a_100011934791_100011935260 [0,1,0,1,0,0|2,0,0]=4 28061 B13R1.28 FCCCSCOC1CCCCC1 62a_100011935260_100011934791 [0,1,0,1,0,0|2,0,0]=4 28062 B13R1.28 FCCNCCCC1CCCCC1 2230a_100011211642_100011217306 [0,1,0,1,0,0|1,0,0]=3 28063 B13R1.28 FCCNCCCC1CCCCC1 34a_100000724931_100011713725 [0,1,0,1,0,0|1,0,0]=3 28064 B13R1.28 FCCNCCCC1CCCCC1 34a_100011211642_100011217306 [0,1,0,1,0,0|1,0,0]=3 28065 B13R1.28 FCCNCCCN1CCCCC1 34a_100000724931_100000690320 [0,1,0,1,0,0|2,0,0]=4 28066 B13R1.28 FCCNCCOC1CCCCC1 34a_100000724931_100011211530 [0,1,0,1,0,0|2,0,0]=4 28067 B13R1.28 FCCNCCOC1CCCCC1 34a_100015206981_100011217306 [0,1,0,1,0,0|2,0,0]=4 28068 B13R1.28 FCCNCCOC1CCCCO1 34a_100000724931_100000744793 [0,1,0,1,0,0|2,0,0]=4 28069 B13R1.28 FCCOCCCC1CCCCC1 34a_100000198086_100011217306 [0,1,0,1,0,0|1,0,0]=3 28070 B13R1.28 FCCOCCCC1CCCCC1 7a_100000198086_100011217306 [0,1,0,1,0,0|1,0,0]=3 28071 B13R1.28 FCCOCCCC1CCCCN1 34a_100011934581_100011217306 [0,1,0,1,0,0|2,0,0]=4 28072 B13R1.28 FCCOCCCC1CCCNC1 34a_100150707839_100011217306 [0,1,0,1,0,0|2,0,0]=4 28073 B13R1.28 FCCOCCCC1CCNCC1 34a_100016988962_100011217306 [0,1,0,1,0,0|2,0,0]=4 28074 B13R1.28 FCCOCCCN1CCCCC1 34a_100000212458_100011217306 [0,1,0,1,0,0|2,0,0]=4 28075 B13R1.28 FCCOCCNC1CCCCC1 34a_100000200466_100011217306 [0,1,0,1,0,0|2,0,0]=4 28076 B13R1.28 FCCOCCOC1CCCCC1 34a_100011249652_100011217306 [0,1,0,1,0,0|2,0,0]=4 28077 B13R1.28 FCCOCCOC1CCCCC1 34a_200015357709_100000210327 [0,1,0,1,0,0|2,0,0]=4 28078 B13R1.28 FCCOCCOC1CCCCC1 7a_100011249652_100011217306 [0,1,0,1,0,0|2,0,0]=4 28079 B13R1.28 FCCOCCOC1CCCCC1 7a_200015357709_100000210327 [0,1,0,1,0,0|2,0,0]=4 28080 B13R1.28 FCCOCCOC1CCCCO1 34a_100000034223_100011217306 [0,1,0,1,0,0|2,0,0]=4 28081 B13R1.28 FCCOCCOC1CCCCO1 7a_100000034223_100011217306 [0,1,0,1,0,0|2,0,0]=4 28082 B13R1.28 FCCSCCCC1CCCCC1 62a_100011217306_100011713725 [0,1,0,1,0,0|1,0,0]=3 28083 B13R1.28 FCCSCCCC1CCCCC1 62a_100011713725_100011217306 [0,1,0,1,0,0|1,0,0]=3 28084 B13R1.28 FCCSCCCN1CCCCC1 62a_100011217306_100000007876 [0,1,0,1,0,0|2,0,0]=4 28085 B13R1.28 FCCSCCCN1CCCCC1 62a_100132302099_100011217306 [0,1,0,1,0,0|2,0,0]=4 28086 B13R1.28 FCCSCCOC1CCCCC1 62a_100011211530_100011217306 [0,1,0,1,0,0|2,0,0]=4 28087 B13R1.28 FCCSCCOC1CCCCC1 62a_100011217306_100011211530 [0,1,0,1,0,0|2,0,0]=4 28088 B13R1.28 FCCSCCOC1CCCCO1 62a_100000744793_100011217306 [0,1,0,1,0,0|2,0,0]=4 28089 B13R1.28 FCCSCCOC1CCCCO1 62a_100011217306_100000744793 [0,1,0,1,0,0|2,0,0]=4 28090 B13R1.28 FCNCCCOC1CCCCC1 34a_100000205933_100015361967 [0,1,0,1,0,0|2,0,0]=4 28091 B13R1.28 FCOCCCCC1CCCCC1 34a_100011215267_100015361967 [0,1,0,1,0,0|1,0,0]=3 28092 B13R1.28 FCOCCCCC1CCCCC1 7a_100011215267_100015361967 [0,1,0,1,0,0|1,0,0]=3 28093 B13R1.28 FCOCCCCC1CCNCC1 34a_100016989291_100015361967 [0,1,0,1,0,0|2,0,0]=4 28094 B13R1.28 FCSCCCOC1CCCCO1 62a_100000700653_100015361967 [0,1,0,1,0,0|2,0,0]=4 28095 B13R1.28 FCSCCCOC1CCCCO1 62a_100015361967_100000700653 [0,1,0,1,0,0|2,0,0]=4 28096 B13R1.28 ICCCCCOC1CCCCC1 34a_200012148887_100000210327 [0,1,0,1,0,0|1,0,0]=3 28097 B13R1.28 ICCCCCOC1CCCCC1 7a_200012148887_100000210327 [0,1,0,1,0,0|1,0,0]=3 28098 B13R1.28 ICCCCCOC1CCCOC1 34a_200012148887_100000693364 [0,1,0,1,0,0|2,0,0]=4 28099 B13R1.28 ICCCCCOC1CCCOC1 7a_200012148887_100000693364 [0,1,0,1,0,0|2,0,0]=4 28100 B13R1.28 ICCCCCOC1CCOCC1 7a_200012148887_100000686592 [0,1,0,1,0,0|2,0,0]=4 28101 B13R1.28 ICCCCCOC1CCSCC1 34a_200012148887_100000069128 [0,1,0,1,0,0|2,0,0]=4 28102 B13R1.28 ICCCCCOC1CCSCC1 7a_200012148887_100011500858 [0,1,0,1,0,0|2,0,0]=4 28103 B13R1.28 ICCCCOCC1CCCCC1 34a_200012148704_100000211423 [0,1,0,1,0,0|1,0,0]=3 28104 B13R1.28 ICCCCOCC1CCCCO1 34a_200012148704_100000211543 [0,1,0,1,0,0|1,0,0]=3 28105 B13R1.28 ICCCCOCC1CCCOC1 34a_200012148704_100000741521 [0,1,0,1,0,0|2,0,0]=4 28106 B13R1.28 ICCCCOCC1CCOCC1 34a_200012148704_100000754603 [0,1,0,1,0,0|2,0,0]=4 28107 B13R1.28 ICCOCCOC1CCCCC1 34a_100012149058_100000210327 [0,1,0,1,0,0|2,0,0]=4 28108 B13R1.28 ICCOCCOC1CCCCC1 7a_100012149058_100000210327 [0,1,0,1,0,0|2,0,0]=4 28109 B13R1.28 N#CCCCCNC1CCCCC1 2230a_100000182618_100000211819 [0,1,0,1,0,0|1,0,1]=4 28110 B13R1.28 N#CCCCCNC1CCCCC1 270004a_100000751965_100000210434 [0,1,0,1,0,0|1,0,1]=4 28111 B13R1.28 N#CCCCCOC1CCCCC1 7a_100000210231_100000211819 [0,1,0,1,0,0|1,0,1]=4 28112 B13R1.28 N#CCCCCSC1CCCCC1 62a_100000210327_100000211819 [0,1,0,1,0,0|1,0,1]=4 28113 B13R1.28 N#CCCCCSC1CCCCC1 62a_100011219923_100000210327 [0,1,0,1,0,0|1,0,1]=4 28114 B13R1.28 N#CCCCNCC1CCCCC1 2230a_100000210473_100000687738 [0,1,0,1,0,0|1,0,1]=4 28115 B13R1.28 N#CCCCNCC1CCCCO1 2230a_100000174945_100000687738 [0,1,0,1,0,0|1,0,1]=4 28116 B13R1.28 N#CCCCOCC1CCCCC1 7a_100000212181_100000687738 [0,1,0,1,0,0|1,0,1]=4 28117 B13R1.28 N#CCCCOCC1CCCCO1 7a_100000211370_100000687738 [0,1,0,1,0,0|1,0,1]=4 28118 B13R1.28 N#CCCCSCC1CCCCC1 62a_100000211423_100000687738 [0,1,0,1,0,0|1,0,1]=4 28119 B13R1.28 N#CCCCSCC1CCCCC1 62a_100000687738_100000211423 [0,1,0,1,0,0|1,0,1]=4 28120 B13R1.28 N#CCCCSCC1CCCCO1 62a_100000211543_100000687738 [0,1,0,1,0,0|1,0,1]=4 28121 B13R1.28 N#CCCCSCC1CCCCO1 62a_100000687738_100000211543 [0,1,0,1,0,0|1,0,1]=4 28122 B13R1.28 N#CCCNCCC1CCCCC1 2230a_100000738074_100011215226 [0,1,0,1,0,0|1,0,1]=4 28123 B13R1.28 N#CCCNCCC1CCCCC1 270004a_100000720768_100011713444 [0,1,0,1,0,0|1,0,1]=4 28124 B13R1.28 N#CCCNCCC1CCCCO1 2230a_100015183643_100011215226 [0,1,0,1,0,0|1,0,1]=4 28125 B13R1.28 N#CCCOCCC1CCCCC1 7a_100011217863_100000184422 [0,1,0,1,0,0|1,0,1]=4 28126 B13R1.28 N#CCCSCCC1CCCCC1 62a_100011215226_100012355289 [0,1,0,1,0,0|1,0,1]=4 28127 B13R1.28 N#CCCSCCC1CCCCC1 62a_100012355289_100011215226 [0,1,0,1,0,0|1,0,1]=4 28128 B13R1.28 N#CCNCCCC1CCCCC1 2230a_100011211642_100011215382 [0,1,0,1,0,0|1,0,1]=4 28129 B13R1.28 N#CCOCCCC1CCCCC1 7a_100000198086_100011215382 [0,1,0,1,0,0|1,0,1]=4 28130 B13R1.28 N#CCSCCCC1CCCCC1 62a_100011215382_100011713725 [0,1,0,1,0,0|1,0,1]=4 28131 B13R1.28 N#CCSCCCC1CCCCC1 62a_100011713725_100011215382 [0,1,0,1,0,0|1,0,1]=4 28132 B13R1.28 NCCCCCOC1CCCCC1 34a_100000762737_100000210327 [0,1,0,1,0,0|1,0,0]=3 28133 B13R1.28 NCCCCCOC1CCCOC1 34a_100000762737_100000693364 [0,1,0,1,0,0|2,0,0]=4 28134 B13R1.28 NCCCCCOC1CCSCC1 34a_100000762737_100000069128 [0,1,0,1,0,0|2,0,0]=4 28135 B13R1.28 NCCCCOCC1CCCCC1 34a_100000750430_100000211423 [0,1,0,1,0,0|1,0,0]=3 28136 B13R1.28 NCCCCOCC1CCCCO1 34a_100000750430_100000211543 [0,1,0,1,0,0|1,0,0]=3 28137 B13R1.28 NCCCCOCC1CCCOC1 34a_100000750430_100000741521 [0,1,0,1,0,0|2,0,0]=4 28138 B13R1.28 NCCCCOCC1CCOCC1 34a_100000750430_100000754603 [0,1,0,1,0,0|2,0,0]=4 28139 B13R1.28 NCCCOCCC1CCCCC1 34a_100000182051_100011209188 [0,1,0,1,0,0|1,0,0]=3 28140 B13R1.28 NCCCOCCC1CCOCC1 34a_100000182051_100011934994 [0,1,0,1,0,0|2,0,0]=4 28141 B13R1.28 NCCCOCCC1OCCCO1 34a_100000182051_100000764188 [0,1,0,1,0,0|2,0,0]=4 28142 B13R1.28 NCCCOCCN1CCCCC1 34a_100000182051_100000739454 [0,1,0,1,0,0|2,0,0]=4 28143 B13R1.28 NCCCOCOC1CCCCC1 34a_100000182051_100011935260 [0,1,0,1,0,0|2,0,0]=4 28144 B13R1.28 NCCOCCCC1CCCCC1 34a_100000210304_100011713725 [0,1,0,1,0,0|1,0,0]=3 28145 B13R1.28 NCCOCCCN1CCCCC1 34a_100000210304_100000690320 [0,1,0,1,0,0|2,0,0]=4 28146 B13R1.28 NCCOCCOC1CCCCC1 34a_100000210304_100011211530 [0,1,0,1,0,0|2,0,0]=4 28147 B13R1.28 NCCOCCOC1CCCCC1 34a_100000211614_100000210327 [0,1,0,1,0,0|2,0,0]=4 28148 B13R1.28 NCCOCCOC1CCCCO1 34a_100000210304_100000744793 [0,1,0,1,0,0|2,0,0]=4 28149 B13R1.28 NOCCOCCC1CCCCC1 34a_100000700252_100011209188 [0,1,0,1,0,0|1,0,0]=3 28150 B13R1.28 NOCCOCCC1CCOCC1 34a_100000700252_100011934994 [0,1,0,1,0,0|2,0,0]=4 28151 B13R1.28 NOCCOCCN1CCCCC1 34a_100000700252_100000739454 [0,1,0,1,0,0|2,0,0]=4 28152 B13R1.28 NOCCOCOC1CCCCC1 34a_100000700252_100011935260 [0,1,0,1,0,0|2,0,0]=4 28153 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [0,1,0,1,0,0|0,0,2]=4 28154 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [0,1,0,1,0,0|0,0,2]=4 28155 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [0,1,0,1,0,0|0,0,2]=4 28156 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [0,1,0,1,0,0|0,0,2]=4 28157 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [0,1,0,1,0,0|0,0,2]=4 28158 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [0,1,0,1,0,0|1,0,1]=4 28159 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [0,1,0,1,0,0|0,0,2]=4 28160 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [0,1,0,1,0,0|1,0,1]=4 28161 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [0,1,0,1,0,0|0,0,2]=4 28162 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [0,1,0,1,0,0|0,0,2]=4 28163 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [0,1,0,1,0,0|1,0,1]=4 28164 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [0,1,0,1,0,0|1,0,1]=4 28165 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [0,1,0,1,0,0|0,0,2]=4 28166 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [0,1,0,1,0,0|0,0,2]=4 28167 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [0,1,0,1,0,0|0,0,2]=4 28168 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [0,1,0,1,0,0|0,0,2]=4 28169 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [0,1,0,1,0,0|0,0,2]=4 28170 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [0,1,0,1,0,0|0,0,2]=4 28171 B13R1.28 OCC#CCNCC1CCCCC1 2230a_100000210473_200000047223 [0,1,0,1,0,0|0,0,2]=4 28172 B13R1.28 OCC#CCNCC1CCCCC1 34a_100000210473_200000047223 [0,1,0,1,0,0|0,0,2]=4 28173 B13R1.28 OCC#CCOCC1CCCCC1 34a_100000212181_200000047223 [0,1,0,1,0,0|0,0,2]=4 28174 B13R1.28 OCC#CCOCC1CCCCC1 7a_100000212181_200000047223 [0,1,0,1,0,0|0,0,2]=4 28175 B13R1.28 OCC#CCSCC1CCCCC1 62a_100000211423_200000047223 [0,1,0,1,0,0|0,0,2]=4 28176 B13R1.28 OCC#CCSCC1CCCCC1 62a_200000047223_100000211423 [0,1,0,1,0,0|0,0,2]=4 28177 B13R1.28 OCCCCCCN1CC=CCC1 2230a_100000698166_100000766143 [0,1,0,1,0,0|0,0,2]=4 28178 B13R1.28 OCCCCCCN1CC=CCC1 269982a_100000698166_100000766143 [0,1,0,1,0,0|0,0,2]=4 28179 B13R1.28 OCCCCCCN1CC=CCC1 34a_100000698166_100000766143 [0,1,0,1,0,0|0,0,2]=4 28180 B13R1.28 OCCCCCCN1CCCOC1 2230a_100000131196_100000766143 [0,1,0,1,0,0|1,0,0]=3 28181 B13R1.28 OCCCCCCN1CCCOC1 269982a_100000131196_100000766143 [0,1,0,1,0,0|1,0,0]=3 28182 B13R1.28 OCCCCCCN1CCCOC1 34a_100000131196_100000766143 [0,1,0,1,0,0|1,0,0]=3 28183 B13R1.28 OCCCCCCN1CCOCC1 2230a_100015191051_100000766143 [0,1,0,1,0,0|1,0,0]=3 28184 B13R1.28 OCCCCCCN1CCOCC1 269982a_100015191051_100000766143 [0,1,0,1,0,0|1,0,0]=3 28185 B13R1.28 OCCCCCCN1CCOCC1 34a_100015191051_100000766143 [0,1,0,1,0,0|1,0,0]=3 28186 B13R1.28 OCCCCCCN1CCSCC1 2230a_100000737611_100000766143 [0,1,0,1,0,0|1,0,0]=3 28187 B13R1.28 OCCCCCCN1CCSCC1 269982a_100000737611_100000766143 [0,1,0,1,0,0|1,0,0]=3 28188 B13R1.28 OCCCCCNC1C=CCCC1 2230a_100000762737_100000751183 [0,1,0,1,0,0|0,0,2]=4 28189 B13R1.28 OCCCCCNC1CCCCC1 2230a_100000182618_100000746330 [0,1,0,1,0,0|0,0,0]=2 28190 B13R1.28 OCCCCCNC1CCCCC1 270004a_100000762737_100000210434 [0,1,0,1,0,0|0,0,0]=2 28191 B13R1.28 OCCCCCNC1CCCCC1 34a_100000182618_100000746330 [0,1,0,1,0,0|0,0,0]=2 28192 B13R1.28 OCCCCCNC1CCCCC1 34a_100000762737_100000210327 [0,1,0,1,0,0|0,0,0]=2 28193 B13R1.28 OCCCCCNC1CCCOC1 2230a_100000719290_100000746330 [0,1,0,1,0,0|1,0,0]=3 28194 B13R1.28 OCCCCCNC1CCCOC1 270004a_100000762737_100000753404 [0,1,0,1,0,0|1,0,0]=3 28195 B13R1.28 OCCCCCNC1CCCOC1 34a_100000719290_100000746330 [0,1,0,1,0,0|1,0,0]=3 28196 B13R1.28 OCCCCCNC1CCCOC1 34a_100000762737_100000693364 [0,1,0,1,0,0|1,0,0]=3 28197 B13R1.28 OCCCCCNC1CCCSC1 270004a_100000762737_100000057913 [0,1,0,1,0,0|1,0,0]=3 28198 B13R1.28 OCCCCCNC1CCNCC1 270004a_100000762737_100015192401 [0,1,0,1,0,0|1,0,0]=3 28199 B13R1.28 OCCCCCNC1CCOCC1 2230a_100000741149_100000746330 [0,1,0,1,0,0|1,0,0]=3 28200 B13R1.28 OCCCCCNC1CCOCC1 270004a_100000762737_100011217826 [0,1,0,1,0,0|1,0,0]=3 28201 B13R1.28 OCCCCCNC1CCOCC1 34a_100000741149_100000746330 [0,1,0,1,0,0|1,0,0]=3 28202 B13R1.28 OCCCCCNC1CCSCC1 2230a_100000748639_100000746330 [0,1,0,1,0,0|1,0,0]=3 28203 B13R1.28 OCCCCCNC1CCSCC1 270004a_100000762737_100000203788 [0,1,0,1,0,0|1,0,0]=3 28204 B13R1.28 OCCCCCNC1CCSCC1 34a_100000748639_100000746330 [0,1,0,1,0,0|1,0,0]=3 28205 B13R1.28 OCCCCCNC1CCSCC1 34a_100000762737_100000069128 [0,1,0,1,0,0|1,0,0]=3 28206 B13R1.28 OCCCCCOC1C=CCCC1 34a_100011215024_100000746330 [0,1,0,1,0,0|0,0,2]=4 28207 B13R1.28 OCCCCCOC1CC=CCC1 34a_100000073881_100000746330 [0,1,0,1,0,0|0,0,2]=4 28208 B13R1.28 OCCCCCOC1CCCCC1 34a_100000210231_100000746330 [0,1,0,1,0,0|0,0,0]=2 28209 B13R1.28 OCCCCCOC1CCCCC1 7a_100000210231_100000746330 [0,1,0,1,0,0|0,0,0]=2 28210 B13R1.28 OCCCCCOC1CCCCO1 34a_100000033831_100000746330 [0,1,0,1,0,0|1,0,0]=3 28211 B13R1.28 OCCCCCOC1CCCOC1 34a_100000754041_100000746330 [0,1,0,1,0,0|1,0,0]=3 28212 B13R1.28 OCCCCCOC1CCCSC1 7a_100015962668_100000746330 [0,1,0,1,0,0|1,0,0]=3 28213 B13R1.28 OCCCCCOC1CCOCC1 34a_100000744328_100000746330 [0,1,0,1,0,0|1,0,0]=3 28214 B13R1.28 OCCCCCOC1CCSCC1 34a_100000731022_100000746330 [0,1,0,1,0,0|1,0,0]=3 28215 B13R1.28 OCCCCCOC1CCSCC1 7a_100000731022_100000746330 [0,1,0,1,0,0|1,0,0]=3 28216 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000746330_100000751183 [0,1,0,1,0,0|0,0,2]=4 28217 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000751183_100000746330 [0,1,0,1,0,0|0,0,2]=4 28218 B13R1.28 OCCCCCSC1CCCCC1 62a_100000210327_100000746330 [0,1,0,1,0,0|0,0,0]=2 28219 B13R1.28 OCCCCCSC1CCCCC1 62a_100000746330_100000210327 [0,1,0,1,0,0|0,0,0]=2 28220 B13R1.28 OCCCCCSC1CCCOC1 62a_100000746330_100000693364 [0,1,0,1,0,0|1,0,0]=3 28221 B13R1.28 OCCCCCSC1CCOCC1 62a_100000746330_100011324220 [0,1,0,1,0,0|1,0,0]=3 28222 B13R1.28 OCCCCCSC1CCSCC1 62a_100000746330_100000069128 [0,1,0,1,0,0|1,0,0]=3 28223 B13R1.28 OCCCCNCC1CC=CCC1 270004a_100000750430_100000189434 [0,1,0,1,0,0|0,0,2]=4 28224 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000210473_100000210776 [0,1,0,1,0,0|0,0,0]=2 28225 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000750430_100000211423 [0,1,0,1,0,0|0,0,0]=2 28226 B13R1.28 OCCCCNCC1CCCCC1 269862a_100000750430_100000211278 [0,1,0,1,0,0|0,0,0]=2 28227 B13R1.28 OCCCCNCC1CCCCC1 34a_100000210473_100011216708 [0,1,0,1,0,0|0,0,0]=2 28228 B13R1.28 OCCCCNCC1CCCCC1 34a_100000750430_100000211423 [0,1,0,1,0,0|0,0,0]=2 28229 B13R1.28 OCCCCNCC1CCCCO1 2230a_100000174945_100000210776 [0,1,0,1,0,0|1,0,0]=3 28230 B13R1.28 OCCCCNCC1CCCCO1 2230a_100000750430_100000211543 [0,1,0,1,0,0|1,0,0]=3 28231 B13R1.28 OCCCCNCC1CCCCO1 34a_100000174945_100011216708 [0,1,0,1,0,0|1,0,0]=3 28232 B13R1.28 OCCCCNCC1CCCCO1 34a_100000750430_100000211543 [0,1,0,1,0,0|1,0,0]=3 28233 B13R1.28 OCCCCNCC1CCCOC1 2230a_100000720124_100000210776 [0,1,0,1,0,0|1,0,0]=3 28234 B13R1.28 OCCCCNCC1CCCOC1 2230a_100000750430_100000741521 [0,1,0,1,0,0|1,0,0]=3 28235 B13R1.28 OCCCCNCC1CCCOC1 34a_100000720124_100011216708 [0,1,0,1,0,0|1,0,0]=3 28236 B13R1.28 OCCCCNCC1CCCOC1 34a_100000750430_100000741521 [0,1,0,1,0,0|1,0,0]=3 28237 B13R1.28 OCCCCNCC1CCOCC1 2230a_100000746373_100000210776 [0,1,0,1,0,0|1,0,0]=3 28238 B13R1.28 OCCCCNCC1CCOCC1 2230a_100000750430_100000754603 [0,1,0,1,0,0|1,0,0]=3 28239 B13R1.28 OCCCCNCC1CCOCC1 269862a_100000750430_100000749017 [0,1,0,1,0,0|1,0,0]=3 28240 B13R1.28 OCCCCNCC1CCOCC1 34a_100000746373_100011216708 [0,1,0,1,0,0|1,0,0]=3 28241 B13R1.28 OCCCCNCC1CCOCC1 34a_100000750430_100000754603 [0,1,0,1,0,0|1,0,0]=3 28242 B13R1.28 OCCCCNCC1CCSCC1 2230a_100015188806_100000210776 [0,1,0,1,0,0|1,0,0]=3 28243 B13R1.28 OCCCCNCC1CCSCC1 269862a_100000750430_100000067145 [0,1,0,1,0,0|1,0,0]=3 28244 B13R1.28 OCCCCNCC1CCSCC1 270004a_100000750430_100000067145 [0,1,0,1,0,0|1,0,0]=3 28245 B13R1.28 OCCCCNCC1CCSCC1 34a_100015188806_100011216708 [0,1,0,1,0,0|1,0,0]=3 28246 B13R1.28 OCCCCNC[C@H]1COCCO1 2230a_100010981119_100000210776 [0,1,0,1,0,0|2,0,0]=4 28247 B13R1.28 OCCCCNC[C@H]1COCCO1 34a_100010981119_100011216708 [0,1,0,1,0,0|2,0,0]=4 28248 B13R1.28 OCCCCOCC1CC=CCC1 34a_100000210713_100011216708 [0,1,0,1,0,0|0,0,2]=4 28249 B13R1.28 OCCCCOCC1CCCCC1 34a_100000212181_100011216708 [0,1,0,1,0,0|0,0,0]=2 28250 B13R1.28 OCCCCOCC1CCCCC1 7a_100000212181_100000210776 [0,1,0,1,0,0|0,0,0]=2 28251 B13R1.28 OCCCCOCC1CCCCN1 34a_100000210821_100011216708 [0,1,0,1,0,0|1,0,0]=3 28252 B13R1.28 OCCCCOCC1CCCCO1 34a_100000211370_100011216708 [0,1,0,1,0,0|1,0,0]=3 28253 B13R1.28 OCCCCOCC1CCCCO1 7a_100000211370_100000210776 [0,1,0,1,0,0|1,0,0]=3 28254 B13R1.28 OCCCCOCC1CCCNC1 34a_100000211344_100011216708 [0,1,0,1,0,0|1,0,0]=3 28255 B13R1.28 OCCCCOCC1CCCOC1 34a_100000741520_100011216708 [0,1,0,1,0,0|1,0,0]=3 28256 B13R1.28 OCCCCOCC1CCNCC1 34a_100000738675_100011216708 [0,1,0,1,0,0|1,0,0]=3 28257 B13R1.28 OCCCCOCC1CCOCC1 34a_100000749013_100011216708 [0,1,0,1,0,0|1,0,0]=3 28258 B13R1.28 OCCCCOCC1CCSCC1 34a_100000070558_100011216708 [0,1,0,1,0,0|1,0,0]=3 28259 B13R1.28 OCCCCOCC1CCSCC1 7a_100000070558_100000210776 [0,1,0,1,0,0|1,0,0]=3 28260 B13R1.28 OCCCCOC[C@@H]1CNCCO1 34a_100015189573_100011216708 [0,1,0,1,0,0|2,0,0]=4 28261 B13R1.28 OCCCCOC[C@@H]1COCCN1 34a_100000717676_100011216708 [0,1,0,1,0,0|2,0,0]=4 28262 B13R1.28 OCCCCOC[C@H]1COCCO1 34a_100009875890_100011216708 [0,1,0,1,0,0|2,0,0]=4 28263 B13R1.28 OCCCCSCC1CCCCC1 62a_100000210776_100000211423 [0,1,0,1,0,0|0,0,0]=2 28264 B13R1.28 OCCCCSCC1CCCCC1 62a_100000211423_100000210776 [0,1,0,1,0,0|0,0,0]=2 28265 B13R1.28 OCCCCSCC1CCCCO1 62a_100000210776_100000211543 [0,1,0,1,0,0|1,0,0]=3 28266 B13R1.28 OCCCCSCC1CCCCO1 62a_100000211543_100000210776 [0,1,0,1,0,0|1,0,0]=3 28267 B13R1.28 OCCCCSCC1CCCOC1 62a_100000210776_100000741521 [0,1,0,1,0,0|1,0,0]=3 28268 B13R1.28 OCCCCSCC1CCCOC1 62a_100000741521_100000210776 [0,1,0,1,0,0|1,0,0]=3 28269 B13R1.28 OCCCCSCC1CCOCC1 62a_100000210776_100000749018 [0,1,0,1,0,0|1,0,0]=3 28270 B13R1.28 OCCCCSCC1CCOCC1 62a_100000754603_100000210776 [0,1,0,1,0,0|1,0,0]=3 28271 B13R1.28 OCCCNCCC1=CCCCC1 2230a_100000212019_100000230001 [0,1,0,1,0,0|0,0,2]=4 28272 B13R1.28 OCCCNCCC1=CCCCC1 34a_100000212019_100000230001 [0,1,0,1,0,0|0,0,2]=4 28273 B13R1.28 OCCCNCCC1CCCCC1 2230a_100000738074_100000230001 [0,1,0,1,0,0|0,0,0]=2 28274 B13R1.28 OCCCNCCC1CCCCC1 270004a_100000182051_100011713444 [0,1,0,1,0,0|0,0,0]=2 28275 B13R1.28 OCCCNCCC1CCCCC1 34a_100000738074_100000230001 [0,1,0,1,0,0|0,0,0]=2 28276 B13R1.28 OCCCNCCC1CCCCO1 2230a_100015183643_100000230001 [0,1,0,1,0,0|1,0,0]=3 28277 B13R1.28 OCCCNCCC1CCCCO1 34a_100015183643_100000230001 [0,1,0,1,0,0|1,0,0]=3 28278 B13R1.28 OCCCNCCC1CCOCC1 2230a_100000755988_100000230001 [0,1,0,1,0,0|1,0,0]=3 28279 B13R1.28 OCCCNCCC1CCOCC1 34a_100000755988_100000230001 [0,1,0,1,0,0|1,0,0]=3 28280 B13R1.28 OCCCNCCN1CCSCC1 2230a_100000755026_100000230001 [0,1,0,1,0,0|2,0,0]=4 28281 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [0,1,0,1,0,0|0,0,0]=2 28282 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [0,1,0,1,0,0|0,0,0]=2 28283 B13R1.28 OCCCOCCC1CCCCN1 34a_100000211664_100000230001 [0,1,0,1,0,0|1,0,0]=3 28284 B13R1.28 OCCCOCCC1CCCNC1 34a_100000752241_100000230001 [0,1,0,1,0,0|1,0,0]=3 28285 B13R1.28 OCCCOCCC1CCNCC1 34a_100015190746_100000230001 [0,1,0,1,0,0|1,0,0]=3 28286 B13R1.28 OCCCOCCC1CCOCC1 34a_100011933979_100000230001 [0,1,0,1,0,0|1,0,0]=3 28287 B13R1.28 OCCCOCCC1CCOCC1 7a_100011933979_100011215043 [0,1,0,1,0,0|1,0,0]=3 28288 B13R1.28 OCCCOCCC1SCCCS1 34a_200011025297_100000230001 [0,1,0,1,0,0|2,0,0]=4 28289 B13R1.28 OCCCOCCC1SCCCS1 7a_200011025297_100011215043 [0,1,0,1,0,0|2,0,0]=4 28290 B13R1.28 OCCCOCCN1CCSCC1 7a_100000686052_100011215043 [0,1,0,1,0,0|2,0,0]=4 28291 B13R1.28 OCCCOCC[C@@H]1CNCCN1 34a_100016989929_100000230001 [0,1,0,1,0,0|2,0,0]=4 28292 B13R1.28 OCCCSCCC1CCCCC1 62a_100011215043_100012355289 [0,1,0,1,0,0|0,0,0]=2 28293 B13R1.28 OCCCSCCC1CCCCC1 62a_100012355289_100011215043 [0,1,0,1,0,0|0,0,0]=2 28294 B13R1.28 OCCCSCCC1CCOCC1 62a_100011215043_100011934994 [0,1,0,1,0,0|1,0,0]=3 28295 B13R1.28 OCCCSCCC1CCOCC1 62a_100011934994_100011215043 [0,1,0,1,0,0|1,0,0]=3 28296 B13R1.28 OCCCSCCC1OCCCO1 62a_100000764188_100011215043 [0,1,0,1,0,0|2,0,0]=4 28297 B13R1.28 OCCCSCCC1OCCCO1 62a_100011215043_100000764188 [0,1,0,1,0,0|2,0,0]=4 28298 B13R1.28 OCCCSCCN1CCCCC1 62a_100000739454_100011215043 [0,1,0,1,0,0|1,0,0]=3 28299 B13R1.28 OCCCSCCN1CCCCC1 62a_100011215043_100000739454 [0,1,0,1,0,0|1,0,0]=3 28300 B13R1.28 OCCCSCCN1CCOCC1 62a_100011215043_100000211760 [0,1,0,1,0,0|2,0,0]=4 28301 B13R1.28 OCCCSCOC1CCCCC1 62a_100011215043_100011935260 [0,1,0,1,0,0|1,0,0]=3 28302 B13R1.28 OCCCSCOC1CCCCC1 62a_100011935260_100011215043 [0,1,0,1,0,0|1,0,0]=3 28303 B13R1.28 OCCNCCCC1CCCCC1 2230a_100011211642_100000211926 [0,1,0,1,0,0|0,0,0]=2 28304 B13R1.28 OCCNCCCC1CCCCC1 2230a_100016997473_100011713725 [0,1,0,1,0,0|0,0,0]=2 28305 B13R1.28 OCCNCCCC1CCCCC1 34a_100011211642_100000211926 [0,1,0,1,0,0|0,0,0]=2 28306 B13R1.28 OCCNCCCC1CCCCC1 34a_100016990907_100011713725 [0,1,0,1,0,0|0,0,0]=2 28307 B13R1.28 OCCNCCCN1CCCCC1 2230a_100016997473_100000690320 [0,1,0,1,0,0|1,0,0]=3 28308 B13R1.28 OCCNCCCN1CCCCC1 34a_100016990907_100000690320 [0,1,0,1,0,0|1,0,0]=3 28309 B13R1.28 OCCNCCCN1CCOCC1 2230a_100016997473_100000748698 [0,1,0,1,0,0|2,0,0]=4 28310 B13R1.28 OCCNCCCN1CCOCC1 34a_100016990907_100000748698 [0,1,0,1,0,0|2,0,0]=4 28311 B13R1.28 OCCNCCOC1CCCCC1 2230a_100016997473_100011211530 [0,1,0,1,0,0|1,0,0]=3 28312 B13R1.28 OCCNCCOC1CCCCC1 34a_100015206981_100000211926 [0,1,0,1,0,0|1,0,0]=3 28313 B13R1.28 OCCNCCOC1CCCCC1 34a_100016990907_100011211530 [0,1,0,1,0,0|1,0,0]=3 28314 B13R1.28 OCCNCCOC1CCCCO1 2230a_100016997473_100000744793 [0,1,0,1,0,0|2,0,0]=4 28315 B13R1.28 OCCNCCOC1CCCCO1 34a_100016990907_100000744793 [0,1,0,1,0,0|2,0,0]=4 28316 B13R1.28 OCCNN=CCC1CCCCC1 4a_100000210001_100011713444 [0,1,0,1,0,0|1,0,1]=4 28317 B13R1.28 OCCOCCCC1CCCCC1 34a_100000198086_100000211926 [0,1,0,1,0,0|0,0,0]=2 28318 B13R1.28 OCCOCCCC1CCCCC1 7a_100000198086_100000211926 [0,1,0,1,0,0|0,0,0]=2 28319 B13R1.28 OCCOCCCC1CCCCN1 34a_100011934581_100000211926 [0,1,0,1,0,0|1,0,0]=3 28320 B13R1.28 OCCOCCCC1CCCNC1 34a_100150707839_100000211926 [0,1,0,1,0,0|1,0,0]=3 28321 B13R1.28 OCCOCCCC1CCNCC1 34a_100016988962_100000211926 [0,1,0,1,0,0|1,0,0]=3 28322 B13R1.28 OCCOCCCN1CCCCC1 34a_100000212458_100000211926 [0,1,0,1,0,0|1,0,0]=3 28323 B13R1.28 OCCOCCCN1CCOCC1 34a_100000212840_100000211926 [0,1,0,1,0,0|2,0,0]=4 28324 B13R1.28 OCCOCCNC1CCCCC1 2230a_100000182618_100011215305 [0,1,0,1,0,0|1,0,0]=3 28325 B13R1.28 OCCOCCNC1CCCCC1 270004a_100000211614_100000210434 [0,1,0,1,0,0|1,0,0]=3 28326 B13R1.28 OCCOCCNC1CCCCC1 34a_100000182618_100000692535 [0,1,0,1,0,0|1,0,0]=3 28327 B13R1.28 OCCOCCNC1CCCCC1 34a_100000200466_100000211926 [0,1,0,1,0,0|1,0,0]=3 28328 B13R1.28 OCCOCCNC1CCCCC1 34a_100000211614_100000210327 [0,1,0,1,0,0|1,0,0]=3 28329 B13R1.28 OCCOCCNC1CCCOC1 2230a_100000719290_100011215305 [0,1,0,1,0,0|2,0,0]=4 28330 B13R1.28 OCCOCCNC1CCCOC1 270004a_100000211614_100000753404 [0,1,0,1,0,0|2,0,0]=4 28331 B13R1.28 OCCOCCNC1CCCOC1 34a_100000211614_100000693364 [0,1,0,1,0,0|2,0,0]=4 28332 B13R1.28 OCCOCCNC1CCCOC1 34a_100000719290_100000692535 [0,1,0,1,0,0|2,0,0]=4 28333 B13R1.28 OCCOCCNC1CCCSC1 270004a_100000211614_100000057913 [0,1,0,1,0,0|2,0,0]=4 28334 B13R1.28 OCCOCCNC1CCNCC1 270004a_100000211614_100015192401 [0,1,0,1,0,0|2,0,0]=4 28335 B13R1.28 OCCOCCNC1CCOCC1 2230a_100000741149_100011215305 [0,1,0,1,0,0|2,0,0]=4 28336 B13R1.28 OCCOCCNC1CCOCC1 270004a_100000211614_100011217826 [0,1,0,1,0,0|2,0,0]=4 28337 B13R1.28 OCCOCCNC1CCOCC1 34a_100000708129_100000211926 [0,1,0,1,0,0|2,0,0]=4 28338 B13R1.28 OCCOCCNC1CCOCC1 34a_100000741149_100000692535 [0,1,0,1,0,0|2,0,0]=4 28339 B13R1.28 OCCOCCNC1CCSCC1 2230a_100000748639_100011215305 [0,1,0,1,0,0|2,0,0]=4 28340 B13R1.28 OCCOCCNC1CCSCC1 270004a_100000211614_100000203788 [0,1,0,1,0,0|2,0,0]=4 28341 B13R1.28 OCCOCCNC1CCSCC1 34a_100000211614_100000069128 [0,1,0,1,0,0|2,0,0]=4 28342 B13R1.28 OCCOCCNC1CCSCC1 34a_100000748639_100000692535 [0,1,0,1,0,0|2,0,0]=4 28343 B13R1.28 OCCOCCOC1CCCCC1 34a_100000210231_100000692535 [0,1,0,1,0,0|1,0,0]=3 28344 B13R1.28 OCCOCCOC1CCCCC1 34a_100011249652_100000211926 [0,1,0,1,0,0|1,0,0]=3 28345 B13R1.28 OCCOCCOC1CCCCC1 7a_100000210231_100011215305 [0,1,0,1,0,0|1,0,0]=3 28346 B13R1.28 OCCOCCOC1CCCCC1 7a_100011249652_100000211926 [0,1,0,1,0,0|1,0,0]=3 28347 B13R1.28 OCCOCCOC1CCCCO1 34a_100000033831_100000692535 [0,1,0,1,0,0|2,0,0]=4 28348 B13R1.28 OCCOCCOC1CCCCO1 34a_100000034223_100000211926 [0,1,0,1,0,0|2,0,0]=4 28349 B13R1.28 OCCOCCOC1CCCCO1 7a_100000034223_100000211926 [0,1,0,1,0,0|2,0,0]=4 28350 B13R1.28 OCCOCCOC1CCCOC1 34a_100000754041_100000692535 [0,1,0,1,0,0|2,0,0]=4 28351 B13R1.28 OCCOCCOC1CCCSC1 7a_100015962668_100011215305 [0,1,0,1,0,0|2,0,0]=4 28352 B13R1.28 OCCOCCOC1CCOCC1 34a_100000744328_100000692535 [0,1,0,1,0,0|2,0,0]=4 28353 B13R1.28 OCCOCCOC1CCSCC1 34a_100000731022_100000692535 [0,1,0,1,0,0|2,0,0]=4 28354 B13R1.28 OCCOCCOC1CCSCC1 7a_100000731022_100011215305 [0,1,0,1,0,0|2,0,0]=4 28355 B13R1.28 OCCOCCSC1CCCCC1 62a_100000210327_100011215305 [0,1,0,1,0,0|1,0,0]=3 28356 B13R1.28 OCCOCCSC1CCCCC1 62a_100011215305_100000210327 [0,1,0,1,0,0|1,0,0]=3 28357 B13R1.28 OCCOCCSC1CCCOC1 62a_100011215305_100000693364 [0,1,0,1,0,0|2,0,0]=4 28358 B13R1.28 OCCOCCSC1CCOCC1 62a_100011215305_100011324220 [0,1,0,1,0,0|2,0,0]=4 28359 B13R1.28 OCCOCCSC1CCSCC1 62a_100011215305_100000069128 [0,1,0,1,0,0|2,0,0]=4 28360 B13R1.28 OCCSCCCC1CCCCC1 62a_100000211926_100011713725 [0,1,0,1,0,0|0,0,0]=2 28361 B13R1.28 OCCSCCCC1CCCCC1 62a_100011713725_100000211926 [0,1,0,1,0,0|0,0,0]=2 28362 B13R1.28 OCCSCCCN1CCCCC1 62a_100000211926_100000007876 [0,1,0,1,0,0|1,0,0]=3 28363 B13R1.28 OCCSCCCN1CCCCC1 62a_100132302099_100000211926 [0,1,0,1,0,0|1,0,0]=3 28364 B13R1.28 OCCSCCCN1CCOCC1 62a_100000211926_100000748698 [0,1,0,1,0,0|2,0,0]=4 28365 B13R1.28 OCCSCCNC1CCCCC1 270004a_100011219999_100000210434 [0,1,0,1,0,0|1,0,0]=3 28366 B13R1.28 OCCSCCNC1CCCOC1 270004a_100011219999_100000753404 [0,1,0,1,0,0|2,0,0]=4 28367 B13R1.28 OCCSCCNC1CCCSC1 270004a_100011219999_100000057913 [0,1,0,1,0,0|2,0,0]=4 28368 B13R1.28 OCCSCCNC1CCNCC1 270004a_100011219999_100015192401 [0,1,0,1,0,0|2,0,0]=4 28369 B13R1.28 OCCSCCNC1CCOCC1 270004a_100011219999_100011217826 [0,1,0,1,0,0|2,0,0]=4 28370 B13R1.28 OCCSCCNC1CCSCC1 270004a_100011219999_100000203788 [0,1,0,1,0,0|2,0,0]=4 28371 B13R1.28 OCCSCCOC1CCCCC1 62a_100000211926_100011211530 [0,1,0,1,0,0|1,0,0]=3 28372 B13R1.28 OCCSCCOC1CCCCC1 62a_100011211530_100000211926 [0,1,0,1,0,0|1,0,0]=3 28373 B13R1.28 OCCSCCOC1CCCCO1 62a_100000211926_100000744793 [0,1,0,1,0,0|2,0,0]=4 28374 B13R1.28 OCCSCCOC1CCCCO1 62a_100000744793_100000211926 [0,1,0,1,0,0|2,0,0]=4 28375 B13R1.28 [13CH3]OCCCCCN1CCCCC1 34a_100011216611_200025704644 [0,1,0,1,0,0|1,0,0]=3 28376 B13R1.28 [13CH3]OCCCCCN1CCCCC1 7a_100011216611_200025704644 [0,1,0,1,0,0|1,0,0]=3 28377 B13R1.28 [13CH3]OCCOCCN1CCCCC1 34a_200011409831_200025704644 [0,1,0,1,0,0|2,0,0]=4 28378 B13R1.28 [13CH3]OCCOCCN1CCCCC1 7a_200011409831_200025704644 [0,1,0,1,0,0|2,0,0]=4 28379 B13R1.28 [13CH3]SCCCCOC1CCCCO1 62a_100000031530_200025704644 [0,1,0,1,0,0|1,0,0]=3 28380 B13R1.28 [13CH3]SCCCCOC1CCCCO1 62a_200025704644_100000031530 [0,1,0,1,0,0|1,0,0]=3 28381 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,1,0,1,0,0|0,0,2]=4 28382 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,1,0,1,0,0|0,0,2]=4 28383 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,1,0,1,0,0|0,0,2]=4 28384 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,1,0,1,0,0|0,0,2]=4 28385 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,1,0,1,0,0|1,0,1]=4 28386 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,1,0,1,0,0|1,0,1]=4 28387 B13R1.84 C#CC1CCCCN1CCCCC 2230a_200020621307_100000210326 [0,1,0,1,0,0|1,0,1]=4 28388 B13R1.84 C#CC1CCCCN1CCCCC 269982a_200020621307_100000210215 [0,1,0,1,0,0|1,0,1]=4 28389 B13R1.84 C#CC1CCCCN1CCCCC 34a_200020621307_100000718602 [0,1,0,1,0,0|1,0,1]=4 28390 B13R1.84 C#CC1CCCCN1CCCCO 2230a_200020621307_100000210776 [0,1,0,1,0,0|0,0,2]=4 28391 B13R1.84 C#CC1CCCCN1CCCCO 269982a_200020621307_100000210776 [0,1,0,1,0,0|0,0,2]=4 28392 B13R1.84 C#CC1CCCCN1CCCCO 34a_200020621307_100011216708 [0,1,0,1,0,0|0,0,2]=4 28393 B13R1.84 C#CCCCN1CCCCC1CC 2230a_100000210034_100000731252 [0,1,0,1,0,0|1,0,1]=4 28394 B13R1.84 C#CCCCN1CCCCC1CC 269982a_100000210034_100011215417 [0,1,0,1,0,0|1,0,1]=4 28395 B13R1.84 C#CCCCN1CCCCC1CC 34a_100000210034_100000695029 [0,1,0,1,0,0|1,0,1]=4 28396 B13R1.84 C#CCCCN1CCCCC1CO 2230a_100000210821_100000731252 [0,1,0,1,0,0|0,0,2]=4 28397 B13R1.84 C#CCCCN1CCCCC1CO 269982a_100000210821_100011215417 [0,1,0,1,0,0|0,0,2]=4 28398 B13R1.84 C#CCCCN1CCCCC1CO 34a_100000210821_100000695029 [0,1,0,1,0,0|0,0,2]=4 28399 B13R1.84 C#CCCOC1CCCCC1CC 34a_100000210738_100000688953 [0,1,0,1,0,0|1,0,1]=4 28400 B13R1.84 C#CCCOC1CCCCC1CC 7a_100000210738_100000688953 [0,1,0,1,0,0|1,0,1]=4 28401 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [0,1,0,1,0,0|1,0,1]=4 28402 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [0,1,0,1,0,0|1,0,1]=4 28403 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [0,1,0,1,0,0|1,0,1]=4 28404 B13R1.84 C=CCCCN1CCCCC1CO 2230a_100000210821_100011713584 [0,1,0,1,0,0|0,0,2]=4 28405 B13R1.84 C=CCCCN1CCCCC1CO 269982a_100000210821_100000757094 [0,1,0,1,0,0|0,0,2]=4 28406 B13R1.84 C=CCCCN1CCCCC1CO 34a_100000210821_100000757094 [0,1,0,1,0,0|0,0,2]=4 28407 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [0,1,0,1,0,0|1,0,1]=4 28408 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [0,1,0,1,0,0|1,0,1]=4 28409 B13R1.84 C=CCCNC1CCCCC1CO 270004a_100015191253_100009861125 [0,1,0,1,0,0|0,0,2]=4 28410 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [0,1,0,1,0,0|1,0,1]=4 28411 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [0,1,0,1,0,0|1,0,1]=4 28412 B13R1.84 CC/C=C\CN1CCCCC1CO 2230a_100000210821_100103147603 [0,1,0,1,0,0|0,0,2]=4 28413 B13R1.84 CC/C=C\CN1CCCCC1CO 269982a_100000210821_100103147603 [0,1,0,1,0,0|0,0,2]=4 28414 B13R1.84 CC/C=C\CN1CCCCC1CO 34a_100000210821_100103147603 [0,1,0,1,0,0|0,0,2]=4 28415 B13R1.84 CCC#CCN1CCCCC1CO 2230a_100000210821_100009813939 [0,1,0,1,0,0|0,0,2]=4 28416 B13R1.84 CCC#CCN1CCCCC1CO 34a_100000210821_100009813939 [0,1,0,1,0,0|0,0,2]=4 28417 B13R1.84 CCC1CCCCC1=NNCCO 4a_100000210001_100000757040 [0,1,0,1,0,0|1,0,1]=4 28418 B13R1.84 CCC1CCCCC1NCCC#N 270004a_100000720768_100000757040 [0,1,0,1,0,0|1,0,1]=4 28419 B13R1.84 CCC1CCCCC1NCCCF 269862a_100015189416_100000757040 [0,1,0,1,0,0|1,0,0]=3 28420 B13R1.84 CCC1CCCCC1NCCCF 270004a_100015189416_100000757040 [0,1,0,1,0,0|1,0,0]=3 28421 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [0,1,0,1,0,0|0,0,0]=2 28422 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [0,1,0,1,0,0|0,0,0]=2 28423 B13R1.84 CCC1CCCCC1NCCOC 269862a_100000209980_100000757040 [0,1,0,1,0,0|1,0,0]=3 28424 B13R1.84 CCC1CCCCC1NCCOC 270004a_100000209980_100000757040 [0,1,0,1,0,0|1,0,0]=3 28425 B13R1.84 CCC1CCCCC1NCCSC 269862a_100020590264_100000757040 [0,1,0,1,0,0|1,1,0]=4 28426 B13R1.84 CCC1CCCCC1NCCSC 270004a_100020590264_100000757040 [0,1,0,1,0,0|1,1,0]=4 28427 B13R1.84 CCC1CCCCC1OCCC#N 7a_100000210738_100000184422 [0,1,0,1,0,0|1,0,1]=4 28428 B13R1.84 CCC1CCCCC1OCCCF 34a_100000210738_100011934791 [0,1,0,1,0,0|1,0,0]=3 28429 B13R1.84 CCC1CCCCC1OCCCF 7a_100000210738_100011934791 [0,1,0,1,0,0|1,0,0]=3 28430 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [0,1,0,1,0,0|0,0,0]=2 28431 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [0,1,0,1,0,0|0,0,0]=2 28432 B13R1.84 CCC1CCCCC1OCCOC 34a_100000210738_100011201679 [0,1,0,1,0,0|1,0,0]=3 28433 B13R1.84 CCC1CCCCC1OCCOC 7a_100000210738_100000233755 [0,1,0,1,0,0|1,0,0]=3 28434 B13R1.84 CCC1CCCCC1OCCSC 34a_100000210738_100000212216 [0,1,0,1,0,0|1,1,0]=4 28435 B13R1.84 CCC1CCCCC1OCCSC 7a_100000210738_100000212216 [0,1,0,1,0,0|1,1,0]=4 28436 B13R1.84 CCC1CCCCN1CC#CCO 2230a_100000210034_200000047223 [0,1,0,1,0,0|0,0,2]=4 28437 B13R1.84 CCC1CCCCN1CC#CCO 34a_100000210034_200000047223 [0,1,0,1,0,0|0,0,2]=4 28438 B13R1.84 CCC1CCCCN1CCCC#N 2230a_100000210034_100000687738 [0,1,0,1,0,0|1,0,1]=4 28439 B13R1.84 CCC1CCCCN1CCCC#N 269982a_100000210034_100000687738 [0,1,0,1,0,0|1,0,1]=4 28440 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [0,1,0,1,0,0|0,0,2]=4 28441 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [0,1,0,1,0,0|0,0,2]=4 28442 B13R1.84 CCC1CCCCN1CCCCF 2230a_100000210034_100000729493 [0,1,0,1,0,0|1,0,0]=3 28443 B13R1.84 CCC1CCCCN1CCCCF 269982a_100000210034_100000729493 [0,1,0,1,0,0|1,0,0]=3 28444 B13R1.84 CCC1CCCCN1CCCCF 34a_100000210034_100000729493 [0,1,0,1,0,0|1,0,0]=3 28445 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [0,1,0,1,0,0|0,0,0]=2 28446 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [0,1,0,1,0,0|0,0,0]=2 28447 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [0,1,0,1,0,0|0,0,0]=2 28448 B13R1.84 CCC1CCCCN1CCCNC 34a_100011191702_200000210301 [0,1,0,1,0,0|2,0,0]=4 28449 B13R1.84 CCC1CCCCN1CCCN[13CH3] 34a_100011191702_200025704644 [0,1,0,1,0,0|2,0,0]=4 28450 B13R1.84 CCC1CCCCN1CCCOC 2230a_100000210034_100000740836 [0,1,0,1,0,0|1,0,0]=3 28451 B13R1.84 CCC1CCCCN1CCCOC 269982a_100000210034_100000740836 [0,1,0,1,0,0|1,0,0]=3 28452 B13R1.84 CCC1CCCCN1CCCOC 34a_100000210034_100000740836 [0,1,0,1,0,0|1,0,0]=3 28453 B13R1.84 CCC1CCCCN1CCNCF 34a_100000755458_100015361967 [0,1,0,1,0,0|2,0,0]=4 28454 B13R1.84 CCCCCN1CCCCC1C#N 34a_100016989756_100000718602 [0,1,0,1,0,0|1,0,1]=4 28455 B13R1.84 CCCCCN1CCCCC1CC 2230a_100000210034_100000210326 [0,1,0,1,0,0|1,0,0]=3 28456 B13R1.84 CCCCCN1CCCCC1CC 269982a_100000210034_100000210215 [0,1,0,1,0,0|1,0,0]=3 28457 B13R1.84 CCCCCN1CCCCC1CC 34a_100000210034_100000718602 [0,1,0,1,0,0|1,0,0]=3 28458 B13R1.84 CCCCCN1CCCCC1CO 2230a_100000210821_100000210326 [0,1,0,1,0,0|0,0,0]=2 28459 B13R1.84 CCCCCN1CCCCC1CO 269982a_100000210821_100000210215 [0,1,0,1,0,0|0,0,0]=2 28460 B13R1.84 CCCCCN1CCCCC1CO 34a_100000210821_100000718602 [0,1,0,1,0,0|0,0,0]=2 28461 B13R1.84 CCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210326 [0,1,0,1,0,0|2,0,0]=4 28462 B13R1.84 CCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210215 [0,1,0,1,0,0|2,0,0]=4 28463 B13R1.84 CCCCCN1CCOC[C@@H]1CC 34a_100016988097_100000718602 [0,1,0,1,0,0|2,0,0]=4 28464 B13R1.84 CCCCCN1CCOC[C@H]1CO 2230a_100000717676_100000210326 [0,1,0,1,0,0|1,0,0]=3 28465 B13R1.84 CCCCCN1CCOC[C@H]1CO 269982a_100000717676_100000210215 [0,1,0,1,0,0|1,0,0]=3 28466 B13R1.84 CCCCCN1CCOC[C@H]1CO 34a_100000717676_100000718602 [0,1,0,1,0,0|1,0,0]=3 28467 B13R1.84 CCCCNC1CCCCC1CC 269862a_100000102301_100000757040 [0,1,0,1,0,0|1,0,0]=3 28468 B13R1.84 CCCCNC1CCCCC1CC 270004a_100000102301_100000757040 [0,1,0,1,0,0|1,0,0]=3 28469 B13R1.84 CCCCNC1CCCCC1CO 270004a_100000102301_100009861125 [0,1,0,1,0,0|0,0,0]=2 28470 B13R1.84 CCCCNC1CCCCC1OC 270004a_100000102301_100000740605 [0,1,0,1,0,0|1,0,0]=3 28471 B13R1.84 CCCCNC1CCCCC1OC 34a_100011208099_100000210210 [0,1,0,1,0,0|1,0,0]=3 28472 B13R1.84 CCCCNC1CCOCC1CO 2230a_214813039666_100000210211 [0,1,0,1,0,0|1,0,0]=3 28473 B13R1.84 CCCCNC1CCOCC1CO 34a_214813039666_100000210210 [0,1,0,1,0,0|1,0,0]=3 28474 B13R1.84 CCCCNC1CCOCC1OC 270004a_100000102301_100000095984 [0,1,0,1,0,0|2,0,0]=4 28475 B13R1.84 CCCCOC1CCCCC1CC 34a_100000210738_100000210210 [0,1,0,1,0,0|1,0,0]=3 28476 B13R1.84 CCCCOC1CCCCC1CC 7a_100000210738_100000210211 [0,1,0,1,0,0|1,0,0]=3 28477 B13R1.84 CCCCOC1CCCCC1CN 34a_100011216029_100000210210 [0,1,0,1,0,0|1,0,0]=3 28478 B13R1.84 CCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210210 [0,1,0,1,0,0|2,0,0]=4 28479 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210210 [0,1,0,1,0,0|1,0,0]=3 28480 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210211 [0,1,0,1,0,0|1,0,0]=3 28481 B13R1.84 CCCNCC1CCCCN1CC 2230a_100000754393_100000210303 [0,1,0,1,0,0|2,0,0]=4 28482 B13R1.84 CCCNCC1CCCCN1CC 34a_100000754393_100000210303 [0,1,0,1,0,0|2,0,0]=4 28483 B13R1.84 CCCNN=C1CCCCC1CO 4a_100000740057_100009861125 [0,1,0,1,0,0|1,0,1]=4 28484 B13R1.84 CCCOCC1CCCCN1CC 34a_100000225091_100000210303 [0,1,0,1,0,0|2,0,0]=4 28485 B13R1.84 CCCOCC1CCCCN1CC 7a_100000225091_100000210303 [0,1,0,1,0,0|2,0,0]=4 28486 B13R1.84 CCN1CCCCC1CCCOC 2230a_100011804088_100000210202 [0,1,0,1,0,0|1,0,0]=3 28487 B13R1.84 CCN1CCCCC1CCCOC 269982a_100011804088_100000204670 [0,1,0,1,0,0|1,0,0]=3 28488 B13R1.84 CCN1CCCCC1CCCOC 34a_100011804088_100000210202 [0,1,0,1,0,0|1,0,0]=3 28489 B13R1.84 CCN1CCCCC1CNCCF 2230a_100000754393_100011217306 [0,1,0,1,0,0|2,0,0]=4 28490 B13R1.84 CCN1CCCCC1CNCCF 34a_100000754393_100011217306 [0,1,0,1,0,0|2,0,0]=4 28491 B13R1.84 CCN1CCCCC1CNCCO 2230a_100000754393_100000211926 [0,1,0,1,0,0|1,0,0]=3 28492 B13R1.84 CCN1CCCCC1CNCCO 34a_100000754393_100000211926 [0,1,0,1,0,0|1,0,0]=3 28493 B13R1.84 CCN1CCCCC1CNCOC 2230a_100000754393_100000766300 [0,1,0,1,0,0|2,0,0]=4 28494 B13R1.84 CCN1CCCCC1COCCF 34a_100000225091_100011217306 [0,1,0,1,0,0|2,0,0]=4 28495 B13R1.84 CCN1CCCCC1COCCF 7a_100000225091_100011217306 [0,1,0,1,0,0|2,0,0]=4 28496 B13R1.84 CCN1CCCCC1COCCO 34a_100000225091_100000211926 [0,1,0,1,0,0|1,0,0]=3 28497 B13R1.84 CCN1CCCCC1COCCO 7a_100000225091_100000211926 [0,1,0,1,0,0|1,0,0]=3 28498 B13R1.84 CCNCCN1CCCCC1CC 2230a_100000755458_100000210202 [0,1,0,1,0,0|2,0,0]=4 28499 B13R1.84 CCNCCN1CCCCC1CC 34a_100000755458_100000210202 [0,1,0,1,0,0|2,0,0]=4 28500 B13R1.84 CCNCCN1CCCCC1CO 2230a_100011473795_100000210202 [0,1,0,1,0,0|1,0,0]=3 28501 B13R1.84 CCNCCN1CCCCC1CO 34a_100011473795_100000210202 [0,1,0,1,0,0|1,0,0]=3 28502 B13R1.84 CCOCCN1CCCCC1CC 2230a_100000210034_100011215890 [0,1,0,1,0,0|2,0,0]=4 28503 B13R1.84 CCOCCN1CCCCC1CC 269982a_100000210034_100011215890 [0,1,0,1,0,0|2,0,0]=4 28504 B13R1.84 CCOCCN1CCCCC1CC 34a_100000210034_100000210147 [0,1,0,1,0,0|2,0,0]=4 28505 B13R1.84 CCOCCN1CCCCC1CO 2230a_100000210821_100011215890 [0,1,0,1,0,0|1,0,0]=3 28506 B13R1.84 CCOCCN1CCCCC1CO 269982a_100000210821_100011215890 [0,1,0,1,0,0|1,0,0]=3 28507 B13R1.84 CCOCCN1CCCCC1CO 34a_100000210821_100000210147 [0,1,0,1,0,0|1,0,0]=3 28508 B13R1.84 CCOCCN1CCOC[C@H]1CO 2230a_100000717676_100011215890 [0,1,0,1,0,0|2,0,0]=4 28509 B13R1.84 CCOCCN1CCOC[C@H]1CO 269982a_100000717676_100011215890 [0,1,0,1,0,0|2,0,0]=4 28510 B13R1.84 CCOCCN1CCOC[C@H]1CO 34a_100000717676_100000210147 [0,1,0,1,0,0|2,0,0]=4 28511 B13R1.84 CCSCCN1CCCCC1CC 2230a_100000210034_100000757381 [0,1,0,1,0,0|2,0,0]=4 28512 B13R1.84 CCSCCN1CCCCC1CC 269982a_100000210034_100000757381 [0,1,0,1,0,0|2,0,0]=4 28513 B13R1.84 CCSCCN1CCCCC1CC 34a_100000210034_100000757381 [0,1,0,1,0,0|2,0,0]=4 28514 B13R1.84 CCSCCN1CCCCC1CO 2230a_100000210821_100000757381 [0,1,0,1,0,0|1,0,0]=3 28515 B13R1.84 CCSCCN1CCCCC1CO 269982a_100000210821_100000757381 [0,1,0,1,0,0|1,0,0]=3 28516 B13R1.84 CCSCCN1CCCCC1CO 34a_100000210821_100000757381 [0,1,0,1,0,0|1,0,0]=3 28517 B13R1.84 CCSCCN1CCOC[C@H]1CO 2230a_100000717676_100000757381 [0,1,0,1,0,0|2,0,0]=4 28518 B13R1.84 CCSCCN1CCOC[C@H]1CO 269982a_100000717676_100000757381 [0,1,0,1,0,0|2,0,0]=4 28519 B13R1.84 CCSCCN1CCOC[C@H]1CO 34a_100000717676_100000757381 [0,1,0,1,0,0|2,0,0]=4 28520 B13R1.84 CC[C@H]1COCCN1CCCCF 2230a_100016988097_100000729493 [0,1,0,1,0,0|2,0,0]=4 28521 B13R1.84 CC[C@H]1COCCN1CCCCF 269982a_100016988097_100000729493 [0,1,0,1,0,0|2,0,0]=4 28522 B13R1.84 CC[C@H]1COCCN1CCCCF 34a_100016988097_100000729493 [0,1,0,1,0,0|2,0,0]=4 28523 B13R1.84 CC[C@H]1COCCN1CCCCO 2230a_100016988097_100000210776 [0,1,0,1,0,0|1,0,0]=3 28524 B13R1.84 CC[C@H]1COCCN1CCCCO 269982a_100016988097_100000210776 [0,1,0,1,0,0|1,0,0]=3 28525 B13R1.84 CC[C@H]1COCCN1CCCCO 34a_100016988097_100011216708 [0,1,0,1,0,0|1,0,0]=3 28526 B13R1.84 CC[C@H]1COCCN1CCCOC 2230a_100016988097_100000740836 [0,1,0,1,0,0|2,0,0]=4 28527 B13R1.84 CC[C@H]1COCCN1CCCOC 269982a_100016988097_100000740836 [0,1,0,1,0,0|2,0,0]=4 28528 B13R1.84 CC[C@H]1COCCN1CCCOC 34a_100016988097_100000740836 [0,1,0,1,0,0|2,0,0]=4 28529 B13R1.84 CNCCCN1CCCCC1CO 34a_200011473794_200000210301 [0,1,0,1,0,0|1,0,0]=3 28530 B13R1.84 CN[C@@H]1CCCC[C@H]1OCCCF 34a_100000708425_100011934791 [0,1,0,1,0,0|2,0,0]=4 28531 B13R1.84 CN[C@@H]1CCCC[C@H]1OCCCO 34a_100000708425_100000230001 [0,1,0,1,0,0|1,0,0]=3 28532 B13R1.84 CN[C@@H]1CCCC[C@H]1OCCOC 34a_100000708425_100011201679 [0,1,0,1,0,0|2,0,0]=4 28533 B13R1.84 COC1CCCCC1NCCCF 270004a_100015189416_100000740605 [0,1,0,1,0,0|2,0,0]=4 28534 B13R1.84 COC1CCCCC1NCCCF 34a_100011208099_100011934791 [0,1,0,1,0,0|2,0,0]=4 28535 B13R1.84 COC1CCCCC1NCCCO 270004a_100000182051_100000740605 [0,1,0,1,0,0|1,0,0]=3 28536 B13R1.84 COC1CCCCC1NCCCO 34a_100011208099_100000230001 [0,1,0,1,0,0|1,0,0]=3 28537 B13R1.84 COC1CCCCC1NCCSC 270004a_100020590264_100000740605 [0,1,0,1,0,0|2,0,0]=4 28538 B13R1.84 COC1CCCCC1NCCSC 34a_100011208099_100000212216 [0,1,0,1,0,0|2,0,0]=4 28539 B13R1.84 COC1COCCC1NCCCO 270004a_100000182051_100000095984 [0,1,0,1,0,0|2,0,0]=4 28540 B13R1.84 COCCCC1CCCCN1CF 269982a_100011804088_100015361967 [0,1,0,1,0,0|2,0,0]=4 28541 B13R1.84 COCCCC1CCCCN1CF 34a_100011804088_100015361967 [0,1,0,1,0,0|2,0,0]=4 28542 B13R1.84 COCCCN1CCCCC1CO 2230a_100000210821_100000740836 [0,1,0,1,0,0|1,0,0]=3 28543 B13R1.84 COCCCN1CCCCC1CO 269982a_100000210821_100000740836 [0,1,0,1,0,0|1,0,0]=3 28544 B13R1.84 COCCCN1CCCCC1CO 34a_100000210821_100000740836 [0,1,0,1,0,0|1,0,0]=3 28545 B13R1.84 COCCCN1CCOC[C@H]1CO 2230a_100000717676_100000740836 [0,1,0,1,0,0|2,0,0]=4 28546 B13R1.84 COCCCN1CCOC[C@H]1CO 269982a_100000717676_100000740836 [0,1,0,1,0,0|2,0,0]=4 28547 B13R1.84 COCCCN1CCOC[C@H]1CO 34a_100000717676_100000740836 [0,1,0,1,0,0|2,0,0]=4 28548 B13R1.84 COCCNC1CCCCC1CO 270004a_100000209980_100009861125 [0,1,0,1,0,0|1,0,0]=3 28549 B13R1.84 COCCNC1CCCCC1OC 270004a_100000209980_100000740605 [0,1,0,1,0,0|2,0,0]=4 28550 B13R1.84 COCCNC1CCCCC1OC 34a_100011208099_100011201679 [0,1,0,1,0,0|2,0,0]=4 28551 B13R1.84 COCCNC1CCOCC1CO 2230a_214813039666_100011201679 [0,1,0,1,0,0|2,0,0]=4 28552 B13R1.84 COCCNC1CCOCC1CO 34a_214813039666_100011201679 [0,1,0,1,0,0|2,0,0]=4 28553 B13R1.84 COCCOC1CCCCC1CN 34a_100011216029_100011201679 [0,1,0,1,0,0|2,0,0]=4 28554 B13R1.84 COCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100011201679 [0,1,0,1,0,0|2,0,0]=4 28555 B13R1.84 COCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000233755 [0,1,0,1,0,0|2,0,0]=4 28556 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCF 34a_200009815850_100011934791 [0,1,0,1,0,0|2,0,0]=4 28557 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCF 7a_200009815850_100011934791 [0,1,0,1,0,0|2,0,0]=4 28558 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCO 34a_200009815850_100000230001 [0,1,0,1,0,0|1,0,0]=3 28559 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCCO 7a_200009815850_100011215043 [0,1,0,1,0,0|1,0,0]=3 28560 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCSC 34a_200009815850_100000212216 [0,1,0,1,0,0|2,0,0]=4 28561 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCSC 7a_200009815850_100000212216 [0,1,0,1,0,0|2,0,0]=4 28562 B13R1.84 CSCCNC1CCCCC1CO 270004a_100020590264_100009861125 [0,1,0,1,0,0|1,0,0]=3 28563 B13R1.84 CSCCNC1CCOCC1CO 2230a_214813039666_100000751147 [0,1,0,1,0,0|2,0,0]=4 28564 B13R1.84 CSCCNC1CCOCC1CO 34a_214813039666_100000212216 [0,1,0,1,0,0|2,0,0]=4 28565 B13R1.84 CSCCOC1CCCCC1CN 34a_100011216029_100000212216 [0,1,0,1,0,0|2,0,0]=4 28566 B13R1.84 N#CC1CCCCN1CCCCO 34a_100016989756_100011216708 [0,1,0,1,0,0|1,0,1]=4 28567 B13R1.84 N#CCCCN1CCCCC1CO 2230a_100000210821_100000687738 [0,1,0,1,0,0|1,0,1]=4 28568 B13R1.84 N#CCCCN1CCCCC1CO 269982a_100000210821_100000687738 [0,1,0,1,0,0|1,0,1]=4 28569 B13R1.84 N#CCCNC1CCCCC1CO 270004a_100000720768_100009861125 [0,1,0,1,0,0|1,0,1]=4 28570 B13R1.84 NCC1CCCCC1OCCCF 34a_100011216029_100011934791 [0,1,0,1,0,0|2,0,0]=4 28571 B13R1.84 NCC1CCCCC1OCCCO 34a_100011216029_100000230001 [0,1,0,1,0,0|1,0,0]=3 28572 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [0,1,0,1,0,0|1,0,1]=4 28573 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [0,1,0,1,0,0|1,0,1]=4 28574 B13R1.84 OCC1CCCCC1NCCCF 270004a_100015189416_100009861125 [0,1,0,1,0,0|1,0,0]=3 28575 B13R1.84 OCC1CCCCN1CCCCF 2230a_100000210821_100000729493 [0,1,0,1,0,0|1,0,0]=3 28576 B13R1.84 OCC1CCCCN1CCCCF 269982a_100000210821_100000729493 [0,1,0,1,0,0|1,0,0]=3 28577 B13R1.84 OCC1CCCCN1CCCCF 34a_100000210821_100000729493 [0,1,0,1,0,0|1,0,0]=3 28578 B13R1.84 OCC1CCCCN1CCNCF 34a_100011473795_100015361967 [0,1,0,1,0,0|2,0,0]=4 28579 B13R1.84 OCC1COCCC1NCCCF 2230a_214813039666_100011934791 [0,1,0,1,0,0|2,0,0]=4 28580 B13R1.84 OCC1COCCC1NCCCF 34a_214813039666_100011934791 [0,1,0,1,0,0|2,0,0]=4 28581 B13R1.84 OCCCCN1CCCCC1CO 2230a_100000210821_100000210776 [0,1,0,1,0,0|1,0,0]=3 28582 B13R1.84 OCCCCN1CCCCC1CO 269982a_100000210821_100000210776 [0,1,0,1,0,0|1,0,0]=3 28583 B13R1.84 OCCCCN1CCCCC1CO 34a_100000210821_100011216708 [0,1,0,1,0,0|1,0,0]=3 28584 B13R1.84 OCCCCN1CCOC[C@H]1CO 2230a_100000717676_100000210776 [0,1,0,1,0,0|2,0,0]=4 28585 B13R1.84 OCCCCN1CCOC[C@H]1CO 269982a_100000717676_100000210776 [0,1,0,1,0,0|2,0,0]=4 28586 B13R1.84 OCCCCN1CCOC[C@H]1CO 34a_100000717676_100011216708 [0,1,0,1,0,0|2,0,0]=4 28587 B13R1.84 OCCCNC1CCCCC1CO 270004a_100000182051_100009861125 [0,1,0,1,0,0|1,0,0]=3 28588 B13R1.84 OCCCNC1CCOCC1CO 2230a_214813039666_100000230001 [0,1,0,1,0,0|2,0,0]=4 28589 B13R1.84 OCCCNC1CCOCC1CO 34a_214813039666_100000230001 [0,1,0,1,0,0|2,0,0]=4 28590 B13R1.84 OC[C@@H]1COCCN1CCCCF 2230a_100000717676_100000729493 [0,1,0,1,0,0|2,0,0]=4 28591 B13R1.84 OC[C@@H]1COCCN1CCCCF 269982a_100000717676_100000729493 [0,1,0,1,0,0|2,0,0]=4 28592 B13R1.84 OC[C@@H]1COCCN1CCCCF 34a_100000717676_100000729493 [0,1,0,1,0,0|2,0,0]=4 28593 B13R1.84 [13CH3]NCCCN1CCCCC1CO 34a_200011473794_200025704644 [0,1,0,1,0,0|1,0,0]=3 28594 B13R1.137 C#CCCCCN1CCCC1CC 2230a_100000754278_100010269958 [0,1,0,1,0,0|1,0,1]=4 28595 B13R1.137 C#CCCCCN1CCCC1CC 269982a_100000754278_100010269958 [0,1,0,1,0,0|1,0,1]=4 28596 B13R1.137 C#CCCCCN1CCCC1CC 34a_100000754278_100010269958 [0,1,0,1,0,0|1,0,1]=4 28597 B13R1.137 C#CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100010269958 [0,1,0,1,0,0|0,0,2]=4 28598 B13R1.137 C#CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100010269958 [0,1,0,1,0,0|0,0,2]=4 28599 B13R1.137 C#CCCCCN1CCC[C@@H]1CO 34a_100000745186_100010269958 [0,1,0,1,0,0|0,0,2]=4 28600 B13R1.137 C#CCCCNC1CCCC1CC 270004a_100000718082_100000749056 [0,1,0,1,0,0|1,0,1]=4 28601 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [0,1,0,1,0,0|1,0,1]=4 28602 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [0,1,0,1,0,0|1,0,1]=4 28603 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [0,1,0,1,0,0|1,0,1]=4 28604 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011215482 [0,1,0,1,0,0|0,0,2]=4 28605 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215482 [0,1,0,1,0,0|0,0,2]=4 28606 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 34a_100000745186_100011215482 [0,1,0,1,0,0|0,0,2]=4 28607 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [0,1,0,1,0,0|1,0,1]=4 28608 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [0,1,0,1,0,0|1,0,1]=4 28609 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 2230a_100000745186_100015370543 [0,1,0,1,0,0|0,0,2]=4 28610 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 269982a_100000745186_100015370543 [0,1,0,1,0,0|0,0,2]=4 28611 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 34a_100000745186_100015370543 [0,1,0,1,0,0|0,0,2]=4 28612 B13R1.137 CCC1C=CCN1CCCCCO 2230a_100000730860_100000746330 [0,1,0,1,0,0|0,0,2]=4 28613 B13R1.137 CCC1C=CCN1CCCCCO 269982a_100000730860_100000746330 [0,1,0,1,0,0|0,0,2]=4 28614 B13R1.137 CCC1C=CCN1CCCCCO 34a_100000730860_100000746330 [0,1,0,1,0,0|0,0,2]=4 28615 B13R1.137 CCC1CCCC1NCCCCO 269862a_100000750430_100000749056 [0,1,0,1,0,0|0,0,0]=2 28616 B13R1.137 CCC1CCCC1NCCCCO 270004a_100000750430_100000749056 [0,1,0,1,0,0|0,0,0]=2 28617 B13R1.137 CCC1CCCC1NCCCOC 269862a_100150723488_100000749056 [0,1,0,1,0,0|1,0,0]=3 28618 B13R1.137 CCC1CCCC1NCCCOC 270004a_100150723488_100000749056 [0,1,0,1,0,0|1,0,0]=3 28619 B13R1.137 CCC1CCCC1NCCCSC 269862a_100000749238_100000749056 [0,1,0,1,0,0|1,1,0]=4 28620 B13R1.137 CCC1CCCC1NCCCSC 270004a_100000749238_100000749056 [0,1,0,1,0,0|1,1,0]=4 28621 B13R1.137 CCC1CCCN1CCCCC#N 2230a_100000754278_100000211819 [0,1,0,1,0,0|1,0,1]=4 28622 B13R1.137 CCC1CCCN1CCCCC#N 269982a_100000754278_100011219923 [0,1,0,1,0,0|1,0,1]=4 28623 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [0,1,0,1,0,0|0,0,2]=4 28624 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [0,1,0,1,0,0|0,0,2]=4 28625 B13R1.137 CCC1CCCN1CCCCCF 2230a_100000754278_100000729378 [0,1,0,1,0,0|1,0,0]=3 28626 B13R1.137 CCC1CCCN1CCCCCF 269982a_100000754278_100000729378 [0,1,0,1,0,0|1,0,0]=3 28627 B13R1.137 CCC1CCCN1CCCCCF 34a_100000754278_100000729378 [0,1,0,1,0,0|1,0,0]=3 28628 B13R1.137 CCC1CCCN1CCCCCO 2230a_100000754278_100000746330 [0,1,0,1,0,0|0,0,0]=2 28629 B13R1.137 CCC1CCCN1CCCCCO 269982a_100000754278_100000746330 [0,1,0,1,0,0|0,0,0]=2 28630 B13R1.137 CCC1CCCN1CCCCCO 34a_100000754278_100000746330 [0,1,0,1,0,0|0,0,0]=2 28631 B13R1.137 CCC1CCCN1CCCCOC 2230a_100000754278_100000730899 [0,1,0,1,0,0|1,0,0]=3 28632 B13R1.137 CCC1CCCN1CCCCOC 269982a_100000754278_100000730899 [0,1,0,1,0,0|1,0,0]=3 28633 B13R1.137 CCC1CCCN1CCCCOC 34a_100000754278_100000755781 [0,1,0,1,0,0|1,0,0]=3 28634 B13R1.137 CCC1CCCN1CCOCCO 2230a_100000754278_100011215305 [0,1,0,1,0,0|1,0,0]=3 28635 B13R1.137 CCC1CCCN1CCOCCO 269982a_100000754278_100011215305 [0,1,0,1,0,0|1,0,0]=3 28636 B13R1.137 CCC1CCCN1CCOCCO 34a_100000754278_100000692535 [0,1,0,1,0,0|1,0,0]=3 28637 B13R1.137 CCC1CCCN1COCCOC 2230a_100000754278_100000231047 [0,1,0,1,0,0|2,0,0]=4 28638 B13R1.137 CCC1CCCN1COCCOC 269982a_100000754278_100000231047 [0,1,0,1,0,0|2,0,0]=4 28639 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [0,1,0,1,0,0|1,0,0]=3 28640 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [0,1,0,1,0,0|1,0,0]=3 28641 B13R1.137 CCCCCCN1CCCC1C#N 2230a_100000701862_100000210314 [0,1,0,1,0,0|1,0,1]=4 28642 B13R1.137 CCCCCCN1CCCC1CC 2230a_100000754278_100000210314 [0,1,0,1,0,0|1,0,0]=3 28643 B13R1.137 CCCCCCN1CCCC1CC 269982a_100000754278_100000210757 [0,1,0,1,0,0|1,0,0]=3 28644 B13R1.137 CCCCCCN1CCCC1CC 34a_100000754278_100000210314 [0,1,0,1,0,0|1,0,0]=3 28645 B13R1.137 CCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210314 [0,1,0,1,0,0|1,0,1]=4 28646 B13R1.137 CCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210757 [0,1,0,1,0,0|1,0,1]=4 28647 B13R1.137 CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210314 [0,1,0,1,0,0|0,0,0]=2 28648 B13R1.137 CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210757 [0,1,0,1,0,0|0,0,0]=2 28649 B13R1.137 CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210314 [0,1,0,1,0,0|0,0,0]=2 28650 B13R1.137 CCCCCNC1CCCC1CC 269862a_100000209983_100000749056 [0,1,0,1,0,0|1,0,0]=3 28651 B13R1.137 CCCCCNC1CCCC1CC 270004a_100000209983_100000749056 [0,1,0,1,0,0|1,0,0]=3 28652 B13R1.137 CCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000718602 [0,1,0,1,0,0|1,0,1]=4 28653 B13R1.137 CCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210326 [0,1,0,1,0,0|1,0,1]=4 28654 B13R1.137 CCCCNCC1CCCN1CC 2230a_100000211693_100000210211 [0,1,0,1,0,0|2,0,0]=4 28655 B13R1.137 CCCCOCN1CCCC1CC 2230a_100000754278_100011995733 [0,1,0,1,0,0|2,0,0]=4 28656 B13R1.137 CCCCOCN1CCCC1CC 269982a_100000754278_100011995733 [0,1,0,1,0,0|2,0,0]=4 28657 B13R1.137 CCCCOCN1CCCC1CC 34a_100000754278_100011995733 [0,1,0,1,0,0|2,0,0]=4 28658 B13R1.137 CCCCOCN1CCC[C@@H]1CO 2230a_100000745186_100011995733 [0,1,0,1,0,0|1,0,0]=3 28659 B13R1.137 CCCCOCN1CCC[C@@H]1CO 269982a_100000745186_100011995733 [0,1,0,1,0,0|1,0,0]=3 28660 B13R1.137 CCCCOCN1CCC[C@@H]1CO 34a_100000745186_100011995733 [0,1,0,1,0,0|1,0,0]=3 28661 B13R1.137 CCCCOC[C@H]1CCCN1CC 34a_100011739246_100000210210 [0,1,0,1,0,0|2,0,0]=4 28662 B13R1.137 CCCCOC[C@H]1CCCN1CC 7a_100011739246_100000210211 [0,1,0,1,0,0|2,0,0]=4 28663 B13R1.137 CCCOCCN1CCCC1CC 2230a_100000754278_100011215938 [0,1,0,1,0,0|2,0,0]=4 28664 B13R1.137 CCCOCCN1CCCC1CC 269982a_100000754278_100011215938 [0,1,0,1,0,0|2,0,0]=4 28665 B13R1.137 CCCOCCN1CCCC1CC 34a_100000754278_100011215938 [0,1,0,1,0,0|2,0,0]=4 28666 B13R1.137 CCCOCCN1CCC[C@@H]1CO 2230a_100000745186_100011215938 [0,1,0,1,0,0|1,0,0]=3 28667 B13R1.137 CCCOCCN1CCC[C@@H]1CO 269982a_100000745186_100011215938 [0,1,0,1,0,0|1,0,0]=3 28668 B13R1.137 CCCOCCN1CCC[C@@H]1CO 34a_100000745186_100011215938 [0,1,0,1,0,0|1,0,0]=3 28669 B13R1.137 CCN1CCCC1CNCCCF 2230a_100000211693_100011934791 [0,1,0,1,0,0|2,0,0]=4 28670 B13R1.137 CCN1CCCC1CNCCCO 2230a_100000211693_100000230001 [0,1,0,1,0,0|1,0,0]=3 28671 B13R1.137 CCN1CCCC1CNCCOC 2230a_100000211693_100011201679 [0,1,0,1,0,0|2,0,0]=4 28672 B13R1.137 CCN1CCC[C@@H]1COCCCF 34a_100011739246_100011934791 [0,1,0,1,0,0|2,0,0]=4 28673 B13R1.137 CCN1CCC[C@@H]1COCCCF 7a_100011739246_100011934791 [0,1,0,1,0,0|2,0,0]=4 28674 B13R1.137 CCN1CCC[C@@H]1COCCCO 34a_100011739246_100000230001 [0,1,0,1,0,0|1,0,0]=3 28675 B13R1.137 CCN1CCC[C@@H]1COCCCO 7a_100011739246_100011215043 [0,1,0,1,0,0|1,0,0]=3 28676 B13R1.137 CCN1CCC[C@@H]1COCCOC 34a_100011739246_100011201679 [0,1,0,1,0,0|2,0,0]=4 28677 B13R1.137 CCN1CCC[C@@H]1COCCOC 7a_100011739246_100000233755 [0,1,0,1,0,0|2,0,0]=4 28678 B13R1.137 CCOCCCN1CCCC1CC 2230a_100000754278_100012232248 [0,1,0,1,0,0|2,0,0]=4 28679 B13R1.137 CCOCCCN1CCCC1CC 269982a_100000754278_100012232248 [0,1,0,1,0,0|2,0,0]=4 28680 B13R1.137 CCOCCCN1CCCC1CC 34a_100000754278_100012232248 [0,1,0,1,0,0|2,0,0]=4 28681 B13R1.137 CCOCCCN1CCC[C@@H]1CO 2230a_100000745186_100012232248 [0,1,0,1,0,0|1,0,0]=3 28682 B13R1.137 CCOCCCN1CCC[C@@H]1CO 269982a_100000745186_100012232248 [0,1,0,1,0,0|1,0,0]=3 28683 B13R1.137 CCOCCCN1CCC[C@@H]1CO 34a_100000745186_100012232248 [0,1,0,1,0,0|1,0,0]=3 28684 B13R1.137 CCOCCNC1CCCC1CC 269862a_100011200944_100000749056 [0,1,0,1,0,0|2,0,0]=4 28685 B13R1.137 CCOCCNC1CCCC1CC 270004a_102516460346_100000749056 [0,1,0,1,0,0|2,0,0]=4 28686 B13R1.137 CCSCCNC1CCCC1CC 269862a_100000106463_100000749056 [0,1,0,1,0,0|2,0,0]=4 28687 B13R1.137 CCSCCNC1CCCC1CC 270004a_100000106463_100000749056 [0,1,0,1,0,0|2,0,0]=4 28688 B13R1.137 COCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000730899 [0,1,0,1,0,0|1,0,0]=3 28689 B13R1.137 COCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000730899 [0,1,0,1,0,0|1,0,0]=3 28690 B13R1.137 COCCCCN1CCC[C@@H]1CO 34a_100000745186_100000755781 [0,1,0,1,0,0|1,0,0]=3 28691 B13R1.137 COCCOCN1CCC[C@@H]1CO 2230a_100000745186_100000231047 [0,1,0,1,0,0|2,0,0]=4 28692 B13R1.137 COCCOCN1CCC[C@@H]1CO 269982a_100000745186_100000231047 [0,1,0,1,0,0|2,0,0]=4 28693 B13R1.137 N#CC1CCCN1CCCCCO 2230a_100000701862_100000746330 [0,1,0,1,0,0|1,0,1]=4 28694 B13R1.137 N#CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000211819 [0,1,0,1,0,0|1,0,1]=4 28695 B13R1.137 N#CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011219923 [0,1,0,1,0,0|1,0,1]=4 28696 B13R1.137 N#C[C@@H]1CCC[C@H]1OCCCCO 34a_100011907464_100011216708 [0,1,0,1,0,0|1,0,1]=4 28697 B13R1.137 N#C[C@@H]1CCC[C@H]1OCCCCO 7a_100011907464_100000210776 [0,1,0,1,0,0|1,0,1]=4 28698 B13R1.137 N#C[C@H]1CCCN1CCCCCO 2230a_106645074975_100000746330 [0,1,0,1,0,0|1,0,1]=4 28699 B13R1.137 N#C[C@H]1CCCN1CCCCCO 269982a_106645074975_100000746330 [0,1,0,1,0,0|1,0,1]=4 28700 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [0,1,0,1,0,0|1,0,1]=4 28701 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [0,1,0,1,0,0|1,0,1]=4 28702 B13R1.137 OCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000746330 [0,1,0,1,0,0|1,0,0]=3 28703 B13R1.137 OCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000746330 [0,1,0,1,0,0|1,0,0]=3 28704 B13R1.137 OCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000746330 [0,1,0,1,0,0|1,0,0]=3 28705 B13R1.137 OCCOCCN1CCC[C@@H]1CO 2230a_100000745186_100011215305 [0,1,0,1,0,0|2,0,0]=4 28706 B13R1.137 OCCOCCN1CCC[C@@H]1CO 269982a_100000745186_100011215305 [0,1,0,1,0,0|2,0,0]=4 28707 B13R1.137 OCCOCCN1CCC[C@@H]1CO 34a_100000745186_100000692535 [0,1,0,1,0,0|2,0,0]=4 28708 B13R1.137 OC[C@H]1CCCN1CCCCCF 2230a_100000745186_100000729378 [0,1,0,1,0,0|1,0,0]=3 28709 B13R1.137 OC[C@H]1CCCN1CCCCCF 269982a_100000745186_100000729378 [0,1,0,1,0,0|1,0,0]=3 28710 B13R1.137 OC[C@H]1CCCN1CCCCCF 34a_100000745186_100000729378 [0,1,0,1,0,0|1,0,0]=3 28711 B13R1.192 CCCCCCN1CCC1COC 2230a_100015195929_100000210314 [0,1,0,1,0,0|1,0,0]=3 28712 B13R1.192 CCCCCCN1CCC1COC 269982a_100015195929_100000210757 [0,1,0,1,0,0|1,0,0]=3 28713 B13R1.192 CCCCCCN1CCC1COC 34a_100015195929_100000210314 [0,1,0,1,0,0|1,0,0]=3 28714 B13R1.192 CCCCOCN1CCC1COC 2230a_100015195929_100011995733 [0,1,0,1,0,0|2,0,0]=4 28715 B13R1.192 CCCCOCN1CCC1COC 269982a_100015195929_100011995733 [0,1,0,1,0,0|2,0,0]=4 28716 B13R1.192 CCCCOCN1CCC1COC 34a_100015195929_100011995733 [0,1,0,1,0,0|2,0,0]=4 28717 B13R1.192 CCCOCCN1CCC1COC 2230a_100015195929_100011215938 [0,1,0,1,0,0|2,0,0]=4 28718 B13R1.192 CCCOCCN1CCC1COC 269982a_100015195929_100011215938 [0,1,0,1,0,0|2,0,0]=4 28719 B13R1.192 CCCOCCN1CCC1COC 34a_100015195929_100011215938 [0,1,0,1,0,0|2,0,0]=4 28720 B13R1.192 CCOCCCN1CCC1COC 2230a_100015195929_100012232248 [0,1,0,1,0,0|2,0,0]=4 28721 B13R1.192 CCOCCCN1CCC1COC 269982a_100015195929_100012232248 [0,1,0,1,0,0|2,0,0]=4 28722 B13R1.192 CCOCCCN1CCC1COC 34a_100015195929_100012232248 [0,1,0,1,0,0|2,0,0]=4 28723 B13R1.192 COCC1CCN1CCCCCF 2230a_100015195929_100000729378 [0,1,0,1,0,0|2,0,0]=4 28724 B13R1.192 COCC1CCN1CCCCCF 269982a_100015195929_100000729378 [0,1,0,1,0,0|2,0,0]=4 28725 B13R1.192 COCC1CCN1CCCCCF 34a_100015195929_100000729378 [0,1,0,1,0,0|2,0,0]=4 28726 B13R1.192 COCC1CCN1CCCCCO 2230a_100015195929_100000746330 [0,1,0,1,0,0|1,0,0]=3 28727 B13R1.192 COCC1CCN1CCCCCO 269982a_100015195929_100000746330 [0,1,0,1,0,0|1,0,0]=3 28728 B13R1.192 COCC1CCN1CCCCCO 34a_100015195929_100000746330 [0,1,0,1,0,0|1,0,0]=3 28729 B13R1.192 COCC1CCN1CCOCCO 2230a_100015195929_100011215305 [0,1,0,1,0,0|2,0,0]=4 28730 B13R1.192 COCC1CCN1CCOCCO 269982a_100015195929_100011215305 [0,1,0,1,0,0|2,0,0]=4 28731 B13R1.192 COCC1CCN1CCOCCO 34a_100015195929_100000692535 [0,1,0,1,0,0|2,0,0]=4 28732 B13R1.192 COCCCCN1CCC1COC 2230a_100015195929_100000730899 [0,1,0,1,0,0|2,0,0]=4 28733 B13R1.192 COCCCCN1CCC1COC 269982a_100015195929_100000730899 [0,1,0,1,0,0|2,0,0]=4 28734 B13R1.192 COCCCCN1CCC1COC 34a_100015195929_100000755781 [0,1,0,1,0,0|2,0,0]=4 28735 B13R1.485 C#CCCN1CCCCC1CCC 2230a_100000701414_100000688953 [0,1,0,1,0,0|1,0,1]=4 28736 B13R1.485 C#CCCN1CCCCC1CCC 269982a_100000701414_100000730999 [0,1,0,1,0,0|1,0,1]=4 28737 B13R1.485 C#CCCN1CCCCC1CCC 34a_100000701414_100000688953 [0,1,0,1,0,0|1,0,1]=4 28738 B13R1.485 C#CCCN1CCCCC1CCO 2230a_100000211664_100000688953 [0,1,0,1,0,0|0,0,2]=4 28739 B13R1.485 C#CCCN1CCCCC1CCO 269982a_100000211664_100000730999 [0,1,0,1,0,0|0,0,2]=4 28740 B13R1.485 C#CCCN1CCCCC1CCO 34a_100000211664_100000688953 [0,1,0,1,0,0|0,0,2]=4 28741 B13R1.485 C#CCN1CCCCC1CCCO 2230a_100011934581_100000038162 [0,1,0,1,0,0|0,0,2]=4 28742 B13R1.485 C#CCN1CCCCC1CCCO 34a_100011934581_100000184674 [0,1,0,1,0,0|0,0,2]=4 28743 B13R1.485 C#CCOC1CCCCC1CCC 34a_100011217265_100000184674 [0,1,0,1,0,0|1,0,1]=4 28744 B13R1.485 C#CCOC1CCCCC1CCC 7a_100011217265_100000038162 [0,1,0,1,0,0|1,0,1]=4 28745 B13R1.485 C/C=C/CN1CCCCC1CCO 269982a_100000211664_100102629194 [0,1,0,1,0,0|0,0,2]=4 28746 B13R1.485 C/C=C/CN1CCCCC1CCO 34a_100000211664_100102629194 [0,1,0,1,0,0|0,0,2]=4 28747 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [0,1,0,1,0,0|1,0,1]=4 28748 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [0,1,0,1,0,0|1,0,1]=4 28749 B13R1.485 C=CCC1CCCCC1NCCO 269862a_100000210304_100011214939 [0,1,0,1,0,0|0,0,2]=4 28750 B13R1.485 C=CCC1CCCCC1NCCO 270004a_100000210304_100011214939 [0,1,0,1,0,0|0,0,2]=4 28751 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [0,1,0,1,0,0|1,0,1]=4 28752 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [0,1,0,1,0,0|1,0,1]=4 28753 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [0,1,0,1,0,0|1,0,1]=4 28754 B13R1.485 C=CCCN1CCCCC1CCO 2230a_100000211664_100000754431 [0,1,0,1,0,0|0,0,2]=4 28755 B13R1.485 C=CCCN1CCCCC1CCO 269982a_100000211664_100000754431 [0,1,0,1,0,0|0,0,2]=4 28756 B13R1.485 C=CCCN1CCCCC1CCO 34a_100000211664_100000754431 [0,1,0,1,0,0|0,0,2]=4 28757 B13R1.485 C=CCN1CCCCC1CCCO 2230a_100011934581_100000210623 [0,1,0,1,0,0|0,0,2]=4 28758 B13R1.485 C=CCN1CCCCC1CCCO 269982a_100011934581_100000210623 [0,1,0,1,0,0|0,0,2]=4 28759 B13R1.485 C=CCN1CCCCC1CCCO 34a_100011934581_100015514636 [0,1,0,1,0,0|0,0,2]=4 28760 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [0,1,0,1,0,0|1,0,1]=4 28761 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [0,1,0,1,0,0|1,0,1]=4 28762 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [0,1,0,1,0,0|1,0,1]=4 28763 B13R1.485 CC#CCN1CCCCC1CCO 2230a_100000211664_100000748600 [0,1,0,1,0,0|0,0,2]=4 28764 B13R1.485 CC#CCN1CCCCC1CCO 34a_100000211664_100000748600 [0,1,0,1,0,0|0,0,2]=4 28765 B13R1.485 CC=CCN1CCCCC1CCO 2230a_100000211664_100000070051 [0,1,0,1,0,0|0,0,2]=4 28766 B13R1.485 CC=CCN1CCCCC1CCO 34a_100000211664_100000070051 [0,1,0,1,0,0|0,0,2]=4 28767 B13R1.485 CCCC1CCCCC1NCCF 269862a_100000724931_100011218038 [0,1,0,1,0,0|1,0,0]=3 28768 B13R1.485 CCCC1CCCCC1NCCO 269862a_100000210304_100011218038 [0,1,0,1,0,0|0,0,0]=2 28769 B13R1.485 CCCC1CCCCC1NCCO 270004a_100000210304_100011218038 [0,1,0,1,0,0|0,0,0]=2 28770 B13R1.485 CCCC1CCCCC1OCC#N 7a_100011217265_100011215382 [0,1,0,1,0,0|1,0,1]=4 28771 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [0,1,0,1,0,0|0,0,2]=4 28772 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [0,1,0,1,0,0|0,0,2]=4 28773 B13R1.485 CCCC1CCCCC1OCCF 34a_100011217265_100011217306 [0,1,0,1,0,0|1,0,0]=3 28774 B13R1.485 CCCC1CCCCC1OCCF 7a_100011217265_100011217306 [0,1,0,1,0,0|1,0,0]=3 28775 B13R1.485 CCCC1CCCCC1OCCO 34a_100011217265_100000211926 [0,1,0,1,0,0|0,0,0]=2 28776 B13R1.485 CCCC1CCCCC1OCCO 7a_100011217265_100000211926 [0,1,0,1,0,0|0,0,0]=2 28777 B13R1.485 CCCC1CCCCC1OCSC 34a_100011217265_100011218213 [0,1,0,1,0,0|1,1,0]=4 28778 B13R1.485 CCCC1CCCCN1CCC#N 2230a_100000701414_100011215226 [0,1,0,1,0,0|1,0,1]=4 28779 B13R1.485 CCCC1CCCCN1CCC#N 269982a_100000701414_100011215226 [0,1,0,1,0,0|1,0,1]=4 28780 B13R1.485 CCCC1CCCCN1CCCF 2230a_100000701414_100011934791 [0,1,0,1,0,0|1,0,0]=3 28781 B13R1.485 CCCC1CCCCN1CCCF 269982a_100000701414_100011934791 [0,1,0,1,0,0|1,0,0]=3 28782 B13R1.485 CCCC1CCCCN1CCCF 34a_100000701414_100011934791 [0,1,0,1,0,0|1,0,0]=3 28783 B13R1.485 CCCC1CCCCN1CCCO 2230a_100000701414_100000230001 [0,1,0,1,0,0|0,0,0]=2 28784 B13R1.485 CCCC1CCCCN1CCCO 269982a_100000701414_100011215043 [0,1,0,1,0,0|0,0,0]=2 28785 B13R1.485 CCCC1CCCCN1CCCO 34a_100000701414_100000230001 [0,1,0,1,0,0|0,0,0]=2 28786 B13R1.485 CCCC1CCCCN1CCOC 2230a_100000701414_100011201679 [0,1,0,1,0,0|1,0,0]=3 28787 B13R1.485 CCCC1CCCCN1CCOC 269982a_100000701414_100000233755 [0,1,0,1,0,0|1,0,0]=3 28788 B13R1.485 CCCC1CCCCN1CCOC 34a_100000701414_100011201679 [0,1,0,1,0,0|1,0,0]=3 28789 B13R1.485 CCCC1CCCCN1CCSC 2230a_100000701414_100000751147 [0,1,0,1,0,0|1,1,0]=4 28790 B13R1.485 CCCC1CCCCN1CCSC 269982a_100000701414_100000212216 [0,1,0,1,0,0|1,1,0]=4 28791 B13R1.485 CCCC1CCCCN1CCSC 34a_100000701414_100000212216 [0,1,0,1,0,0|1,1,0]=4 28792 B13R1.485 CCCC1CCCCN1COCC 269982a_100000701414_100000739092 [0,1,0,1,0,0|2,0,0]=4 28793 B13R1.485 CCCC1COCCN1CCCF 2230a_102495339903_100011934791 [0,1,0,1,0,0|2,0,0]=4 28794 B13R1.485 CCCC1COCCN1CCCF 269982a_102495339903_100011934791 [0,1,0,1,0,0|2,0,0]=4 28795 B13R1.485 CCCC1COCCN1CCCF 34a_102495339903_100011934791 [0,1,0,1,0,0|2,0,0]=4 28796 B13R1.485 CCCC1COCCN1CCCO 2230a_102495339903_100000230001 [0,1,0,1,0,0|1,0,0]=3 28797 B13R1.485 CCCC1COCCN1CCCO 269982a_102495339903_100011215043 [0,1,0,1,0,0|1,0,0]=3 28798 B13R1.485 CCCC1COCCN1CCCO 34a_102495339903_100000230001 [0,1,0,1,0,0|1,0,0]=3 28799 B13R1.485 CCCC1COCCN1CCOC 2230a_102495339903_100011201679 [0,1,0,1,0,0|2,0,0]=4 28800 B13R1.485 CCCC1COCCN1CCOC 269982a_102495339903_100000233755 [0,1,0,1,0,0|2,0,0]=4 28801 B13R1.485 CCCC1COCCN1CCOC 34a_102495339903_100011201679 [0,1,0,1,0,0|2,0,0]=4 28802 B13R1.485 CCCCN1CCCCC1CC#N 2230a_100000133382_100000210211 [0,1,0,1,0,0|1,0,1]=4 28803 B13R1.485 CCCCN1CCCCC1CC#N 34a_100000133382_100000210210 [0,1,0,1,0,0|1,0,1]=4 28804 B13R1.485 CCCCN1CCCCC1CCC 2230a_100000701414_100000210211 [0,1,0,1,0,0|1,0,0]=3 28805 B13R1.485 CCCCN1CCCCC1CCC 269982a_100000701414_100000210211 [0,1,0,1,0,0|1,0,0]=3 28806 B13R1.485 CCCCN1CCCCC1CCC 34a_100000701414_100000210210 [0,1,0,1,0,0|1,0,0]=3 28807 B13R1.485 CCCCN1CCCCC1CCO 2230a_100000211664_100000210211 [0,1,0,1,0,0|0,0,0]=2 28808 B13R1.485 CCCCN1CCCCC1CCO 269982a_100000211664_100000210211 [0,1,0,1,0,0|0,0,0]=2 28809 B13R1.485 CCCCN1CCCCC1CCO 34a_100000211664_100000210210 [0,1,0,1,0,0|0,0,0]=2 28810 B13R1.485 CCCCN1CCCCC1COC 2230a_100015184032_100000210211 [0,1,0,1,0,0|1,0,0]=3 28811 B13R1.485 CCCCN1CCCCC1COC 269982a_100015184032_100000210211 [0,1,0,1,0,0|1,0,0]=3 28812 B13R1.485 CCCCN1CCCCC1COC 34a_100015184032_100000210210 [0,1,0,1,0,0|1,0,0]=3 28813 B13R1.485 CCCCN1CCOCC1CCC 2230a_102495339903_100000210211 [0,1,0,1,0,0|2,0,0]=4 28814 B13R1.485 CCCCN1CCOCC1CCC 269982a_102495339903_100000210211 [0,1,0,1,0,0|2,0,0]=4 28815 B13R1.485 CCCCN1CCOCC1CCC 34a_102495339903_100000210210 [0,1,0,1,0,0|2,0,0]=4 28816 B13R1.485 CCCCN1CCOC[C@@H]1COC 2230a_100016989928_100000210211 [0,1,0,1,0,0|2,0,0]=4 28817 B13R1.485 CCCCN1CCOC[C@@H]1COC 269982a_100016989928_100000210211 [0,1,0,1,0,0|2,0,0]=4 28818 B13R1.485 CCCCN1CCOC[C@@H]1COC 34a_100016989928_100000210210 [0,1,0,1,0,0|2,0,0]=4 28819 B13R1.485 CCCN1CCCCC1CCCO 2230a_100011934581_100000210303 [0,1,0,1,0,0|0,0,0]=2 28820 B13R1.485 CCCN1CCCCC1CCCO 269982a_100011934581_100000210303 [0,1,0,1,0,0|0,0,0]=2 28821 B13R1.485 CCCN1CCCCC1CCCO 34a_100011934581_100000210303 [0,1,0,1,0,0|0,0,0]=2 28822 B13R1.485 CCCN1CCCCC1CCOC 2230a_100015186528_100000210303 [0,1,0,1,0,0|1,0,0]=3 28823 B13R1.485 CCCN1CCCCC1CCOC 269982a_100015186528_100000210303 [0,1,0,1,0,0|1,0,0]=3 28824 B13R1.485 CCCN1CCCCC1CCOC 34a_100015186528_100000210303 [0,1,0,1,0,0|1,0,0]=3 28825 B13R1.485 CCCNC1CCCCC1CC#N 270004a_100020643023_100009866218 [0,1,0,1,0,0|1,0,1]=4 28826 B13R1.485 CCCNC1CCCCC1CCC 269862a_100020643023_100011218038 [0,1,0,1,0,0|1,0,0]=3 28827 B13R1.485 CCCNC1CCCCC1CCC 270004a_100020643023_100011218038 [0,1,0,1,0,0|1,0,0]=3 28828 B13R1.485 CCCNC1CCCCC1OCC 270004a_100020643023_200000031474 [0,1,0,1,0,0|2,0,0]=4 28829 B13R1.485 CCCOC1CCCCC1CCC 34a_100011217265_100000210303 [0,1,0,1,0,0|1,0,0]=3 28830 B13R1.485 CCCOC1CCCCC1CCC 7a_100011217265_100000210303 [0,1,0,1,0,0|1,0,0]=3 28831 B13R1.485 CCNC1CCCCC1CCC#N 270004a_100015525214_100000034616 [0,1,0,1,0,0|1,0,1]=4 28832 B13R1.485 CCOC1CCCCC1NCCO 270004a_100000210304_200000031474 [0,1,0,1,0,0|1,0,0]=3 28833 B13R1.485 CCOCC1CCCCN1CCN 34a_100011473795_100000210202 [0,1,0,1,0,0|2,0,0]=4 28834 B13R1.485 CCOCN1CCCCC1CCO 269982a_100000211664_100000739092 [0,1,0,1,0,0|1,0,0]=3 28835 B13R1.485 CCOCN1CCCCC1COC 269982a_100015184032_100000739092 [0,1,0,1,0,0|2,0,0]=4 28836 B13R1.485 COCC1CCCCN1CCCF 2230a_100015184032_100011934791 [0,1,0,1,0,0|2,0,0]=4 28837 B13R1.485 COCC1CCCCN1CCCF 269982a_100015184032_100011934791 [0,1,0,1,0,0|2,0,0]=4 28838 B13R1.485 COCC1CCCCN1CCCF 34a_100015184032_100011934791 [0,1,0,1,0,0|2,0,0]=4 28839 B13R1.485 COCC1CCCCN1CCCN 34a_200011473794_200000210301 [0,1,0,1,0,0|2,0,0]=4 28840 B13R1.485 COCC1CCCCN1CCCO 2230a_100015184032_100000230001 [0,1,0,1,0,0|1,0,0]=3 28841 B13R1.485 COCC1CCCCN1CCCO 269982a_100015184032_100011215043 [0,1,0,1,0,0|1,0,0]=3 28842 B13R1.485 COCC1CCCCN1CCCO 34a_100015184032_100000230001 [0,1,0,1,0,0|1,0,0]=3 28843 B13R1.485 COCC1CCCCN1CCSC 2230a_100015184032_100000751147 [0,1,0,1,0,0|2,0,0]=4 28844 B13R1.485 COCC1CCCCN1CCSC 269982a_100015184032_100000212216 [0,1,0,1,0,0|2,0,0]=4 28845 B13R1.485 COCC1CCCCN1CCSC 34a_100015184032_100000212216 [0,1,0,1,0,0|2,0,0]=4 28846 B13R1.485 COCCC1CCCCN1CCF 2230a_100015186528_100011217306 [0,1,0,1,0,0|2,0,0]=4 28847 B13R1.485 COCCC1CCCCN1CCF 269982a_100015186528_100011217306 [0,1,0,1,0,0|2,0,0]=4 28848 B13R1.485 COCCC1CCCCN1CCF 34a_100015186528_100011217306 [0,1,0,1,0,0|2,0,0]=4 28849 B13R1.485 COCCC1CCCCN1CCO 2230a_100015186528_100000211926 [0,1,0,1,0,0|1,0,0]=3 28850 B13R1.485 COCCC1CCCCN1CCO 269982a_100015186528_100000211926 [0,1,0,1,0,0|1,0,0]=3 28851 B13R1.485 COCCC1CCCCN1CCO 34a_100015186528_100000211926 [0,1,0,1,0,0|1,0,0]=3 28852 B13R1.485 COCCC1CCCCN1COC 2230a_100015186528_100000766300 [0,1,0,1,0,0|2,0,0]=4 28853 B13R1.485 COCCC1CCCCN1COC 269982a_100015186528_100000766300 [0,1,0,1,0,0|2,0,0]=4 28854 B13R1.485 COCCC1CCCCN1CSC 2230a_100015186528_100011218213 [0,1,0,1,0,0|2,0,0]=4 28855 B13R1.485 COCCC1CCCCN1CSC 269982a_100015186528_100011218213 [0,1,0,1,0,0|2,0,0]=4 28856 B13R1.485 COCCC1CCCCN1CSC 34a_100015186528_100011218213 [0,1,0,1,0,0|2,0,0]=4 28857 B13R1.485 COCCN1CCCCC1CCO 2230a_100000211664_100011201679 [0,1,0,1,0,0|1,0,0]=3 28858 B13R1.485 COCCN1CCCCC1CCO 269982a_100000211664_100000233755 [0,1,0,1,0,0|1,0,0]=3 28859 B13R1.485 COCCN1CCCCC1CCO 34a_100000211664_100011201679 [0,1,0,1,0,0|1,0,0]=3 28860 B13R1.485 COCCN1CCCCC1COC 2230a_100015184032_100011201679 [0,1,0,1,0,0|2,0,0]=4 28861 B13R1.485 COCCN1CCCCC1COC 269982a_100015184032_100000233755 [0,1,0,1,0,0|2,0,0]=4 28862 B13R1.485 COCCN1CCCCC1COC 34a_100015184032_100011201679 [0,1,0,1,0,0|2,0,0]=4 28863 B13R1.485 COCN1CCCCC1CCCO 2230a_100011934581_100000766300 [0,1,0,1,0,0|1,0,0]=3 28864 B13R1.485 COCN1CCCCC1CCCO 269982a_100011934581_100000766300 [0,1,0,1,0,0|1,0,0]=3 28865 B13R1.485 COC[C@H]1COCCN1CCCO 2230a_100016989928_100000230001 [0,1,0,1,0,0|2,0,0]=4 28866 B13R1.485 COC[C@H]1COCCN1CCCO 269982a_100016989928_100011215043 [0,1,0,1,0,0|2,0,0]=4 28867 B13R1.485 COC[C@H]1COCCN1CCCO 34a_100016989928_100000230001 [0,1,0,1,0,0|2,0,0]=4 28868 B13R1.485 CSCCN1CCCCC1CCO 2230a_100000211664_100000751147 [0,1,0,1,0,0|1,0,0]=3 28869 B13R1.485 CSCCN1CCCCC1CCO 269982a_100000211664_100000212216 [0,1,0,1,0,0|1,0,0]=3 28870 B13R1.485 CSCCN1CCCCC1CCO 34a_100000211664_100000212216 [0,1,0,1,0,0|1,0,0]=3 28871 B13R1.485 CSCN1CCCCC1CCCO 2230a_100011934581_100011218213 [0,1,0,1,0,0|1,0,0]=3 28872 B13R1.485 CSCN1CCCCC1CCCO 269982a_100011934581_100011218213 [0,1,0,1,0,0|1,0,0]=3 28873 B13R1.485 CSCN1CCCCC1CCCO 34a_100011934581_100011218213 [0,1,0,1,0,0|1,0,0]=3 28874 B13R1.485 N#CCC1CCCCC1NCCO 270004a_100000210304_100009866218 [0,1,0,1,0,0|1,0,1]=4 28875 B13R1.485 N#CCC1CCCCN1CCCO 2230a_100000133382_100000230001 [0,1,0,1,0,0|1,0,1]=4 28876 B13R1.485 N#CCC1CCCCN1CCCO 34a_100000133382_100000230001 [0,1,0,1,0,0|1,0,1]=4 28877 B13R1.485 N#CCCN1CCCCC1CCO 2230a_100000211664_100011215226 [0,1,0,1,0,0|1,0,1]=4 28878 B13R1.485 N#CCCN1CCCCC1CCO 269982a_100000211664_100011215226 [0,1,0,1,0,0|1,0,1]=4 28879 B13R1.485 N#CCN1CCCCC1CCCO 2230a_100011934581_100011215382 [0,1,0,1,0,0|1,0,1]=4 28880 B13R1.485 N#CCN1CCCCC1CCCO 269982a_100011934581_100011214920 [0,1,0,1,0,0|1,0,1]=4 28881 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [0,1,0,1,0,0|1,0,1]=4 28882 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [0,1,0,1,0,0|1,0,1]=4 28883 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [0,1,0,1,0,0|1,0,1]=4 28884 B13R1.485 OCCC1CCCCN1CCCF 2230a_100000211664_100011934791 [0,1,0,1,0,0|1,0,0]=3 28885 B13R1.485 OCCC1CCCCN1CCCF 269982a_100000211664_100011934791 [0,1,0,1,0,0|1,0,0]=3 28886 B13R1.485 OCCC1CCCCN1CCCF 34a_100000211664_100011934791 [0,1,0,1,0,0|1,0,0]=3 28887 B13R1.485 OCCCC1CCCCN1CCF 2230a_100011934581_100011217306 [0,1,0,1,0,0|1,0,0]=3 28888 B13R1.485 OCCCC1CCCCN1CCF 269982a_100011934581_100011217306 [0,1,0,1,0,0|1,0,0]=3 28889 B13R1.485 OCCCC1CCCCN1CCF 34a_100011934581_100011217306 [0,1,0,1,0,0|1,0,0]=3 28890 B13R1.485 OCCCC1CCCCN1CCO 2230a_100011934581_100000211926 [0,1,0,1,0,0|1,0,0]=3 28891 B13R1.485 OCCCC1CCCCN1CCO 269982a_100011934581_100000211926 [0,1,0,1,0,0|1,0,0]=3 28892 B13R1.485 OCCCC1CCCCN1CCO 34a_100011934581_100000211926 [0,1,0,1,0,0|1,0,0]=3 28893 B13R1.485 OCCCN1CCCCC1CCO 2230a_100000211664_100000230001 [0,1,0,1,0,0|1,0,0]=3 28894 B13R1.485 OCCCN1CCCCC1CCO 269982a_100000211664_100011215043 [0,1,0,1,0,0|1,0,0]=3 28895 B13R1.485 OCCCN1CCCCC1CCO 34a_100000211664_100000230001 [0,1,0,1,0,0|1,0,0]=3 28896 B13R1.485 [13CH3]OCC1CCCCN1CCCN 34a_200011473794_200025704644 [0,1,0,1,0,0|2,0,0]=4 28897 B13R1.489 C#CCCN1CCCCCCCC1 2230a_100000039187_100000688953 [0,1,0,1,0,0|1,0,1]=4 28898 B13R1.489 C#CCCN1CCCCCCCC1 269982a_100000039187_100000730999 [0,1,0,1,0,0|1,0,1]=4 28899 B13R1.489 C#CCCN1CCCCCCCC1 34a_100000039187_100000688953 [0,1,0,1,0,0|1,0,1]=4 28900 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [0,1,0,1,0,0|1,0,1]=4 28901 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [0,1,0,1,0,0|1,0,1]=4 28902 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [0,1,0,1,0,0|1,0,1]=4 28903 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [0,1,0,1,0,0|1,0,1]=4 28904 B13R1.489 CCCCN1CCCCCCCC1 2230a_100000039187_100000210211 [0,1,0,1,0,0|1,0,0]=3 28905 B13R1.489 CCCCN1CCCCCCCC1 269982a_100000039187_100000210211 [0,1,0,1,0,0|1,0,0]=3 28906 B13R1.489 CCCCN1CCCCCCCC1 34a_100000039187_100000210210 [0,1,0,1,0,0|1,0,0]=3 28907 B13R1.489 CCCNC1CCCCCCCC1 270004a_100020643023_100000038600 [0,1,0,1,0,0|1,0,0]=3 28908 B13R1.489 CCOCN1CCCCCCCC1 269982a_100000039187_100000739092 [0,1,0,1,0,0|2,0,0]=4 28909 B13R1.489 COCCN1CCCCCCCC1 2230a_100000039187_100011201679 [0,1,0,1,0,0|1,0,0]=3 28910 B13R1.489 COCCN1CCCCCCCC1 269982a_100000039187_100000233755 [0,1,0,1,0,0|1,0,0]=3 28911 B13R1.489 COCCN1CCCCCCCC1 34a_100000039187_100011201679 [0,1,0,1,0,0|1,0,0]=3 28912 B13R1.489 CSCCN1CCCCCCCC1 2230a_100000039187_100000751147 [0,1,0,1,0,0|1,1,0]=4 28913 B13R1.489 CSCCN1CCCCCCCC1 269982a_100000039187_100000212216 [0,1,0,1,0,0|1,1,0]=4 28914 B13R1.489 CSCCN1CCCCCCCC1 34a_100000039187_100000212216 [0,1,0,1,0,0|1,1,0]=4 28915 B13R1.489 FCCCN1CCCCCCCC1 2230a_100000039187_100011934791 [0,1,0,1,0,0|1,0,0]=3 28916 B13R1.489 FCCCN1CCCCCCCC1 269982a_100000039187_100011934791 [0,1,0,1,0,0|1,0,0]=3 28917 B13R1.489 FCCCN1CCCCCCCC1 34a_100000039187_100011934791 [0,1,0,1,0,0|1,0,0]=3 28918 B13R1.489 N#CCCN1CCCCCCCC1 2230a_100000039187_100011215226 [0,1,0,1,0,0|1,0,1]=4 28919 B13R1.489 N#CCCN1CCCCCCCC1 269982a_100000039187_100011215226 [0,1,0,1,0,0|1,0,1]=4 28920 B13R1.489 OCCCN1CCCCCCCC1 2230a_100000039187_100000230001 [0,1,0,1,0,0|0,0,0]=2 28921 B13R1.489 OCCCN1CCCCCCCC1 269982a_100000039187_100011215043 [0,1,0,1,0,0|0,0,0]=2 28922 B13R1.489 OCCCN1CCCCCCCC1 34a_100000039187_100000230001 [0,1,0,1,0,0|0,0,0]=2 28923 B13R1.489 OCCNC1CCCCCCCC1 270004a_100000210304_100000038600 [0,1,0,1,0,0|0,0,0]=2 28924 B13R1.555 C#CCCCCN1CCCCC1C 2230a_100000211376_100010269958 [0,1,0,1,0,0|1,0,1]=4 28925 B13R1.555 C#CCCCCN1CCCCC1C 269982a_100000211376_100010269958 [0,1,0,1,0,0|1,0,1]=4 28926 B13R1.555 C#CCCCCN1CCCCC1C 34a_100000211376_100010269958 [0,1,0,1,0,0|1,0,1]=4 28927 B13R1.555 C#CCCCNC1CCCCC1C 2230a_100000211402_100000731252 [0,1,0,1,0,0|1,0,1]=4 28928 B13R1.555 C#CCCCNC1CCCCC1C 270004a_100000718082_100000210921 [0,1,0,1,0,0|1,0,1]=4 28929 B13R1.555 C#CCCCNC1CCCCC1C 34a_100000211402_100000695029 [0,1,0,1,0,0|1,0,1]=4 28930 B13R1.555 C#CCCCNC1CCCCC1O 34a_100000718082_100000038908 [0,1,0,1,0,0|0,0,2]=4 28931 B13R1.555 C#CCCCOC1CCCCC1C 34a_100000211207_100000695029 [0,1,0,1,0,0|1,0,1]=4 28932 B13R1.555 C#CCCCOC1CCCCC1C 7a_100000211207_100011215417 [0,1,0,1,0,0|1,0,1]=4 28933 B13R1.555 C#CCCCOC1CCCCC1O 34a_100000215630_100000038908 [0,1,0,1,0,0|0,0,2]=4 28934 B13R1.555 C#CCCCSC1CCCCC1O 62a_100000038908_100011215417 [0,1,0,1,0,0|0,0,2]=4 28935 B13R1.555 C#CCCCSC1CCCCC1O 62a_100011215417_100000038908 [0,1,0,1,0,0|0,0,2]=4 28936 B13R1.555 C#CCCNCC1CCCCC1O 34a_100011216029_100000688953 [0,1,0,1,0,0|0,0,2]=4 28937 B13R1.555 C/C=C/CCOC1CCCCC1O 34a_100016278192_100000038908 [0,1,0,1,0,0|0,0,2]=4 28938 B13R1.555 C/C=C/CNCC1CCCCC1O 34a_100011216029_100102629194 [0,1,0,1,0,0|0,0,2]=4 28939 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [0,1,0,1,0,0|1,0,1]=4 28940 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [0,1,0,1,0,0|1,0,1]=4 28941 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [0,1,0,1,0,0|1,0,1]=4 28942 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [0,1,0,1,0,0|1,0,1]=4 28943 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [0,1,0,1,0,0|1,0,1]=4 28944 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [0,1,0,1,0,0|1,0,1]=4 28945 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [0,1,0,1,0,0|1,0,1]=4 28946 B13R1.555 C=CCCCNC1CCCCC1O 34a_100000700776_100000038908 [0,1,0,1,0,0|0,0,2]=4 28947 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [0,1,0,1,0,0|1,0,1]=4 28948 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [0,1,0,1,0,0|1,0,1]=4 28949 B13R1.555 C=CCCCOC1CCCCC1O 34a_100000758997_100000038908 [0,1,0,1,0,0|0,0,2]=4 28950 B13R1.555 C=CCCCSC1CCCCC1O 62a_100000038908_100000757094 [0,1,0,1,0,0|0,0,2]=4 28951 B13R1.555 C=CCCCSC1CCCCC1O 62a_100011713584_100000038908 [0,1,0,1,0,0|0,0,2]=4 28952 B13R1.555 C=CCCNCC1CCCCC1O 34a_100011216029_100000754431 [0,1,0,1,0,0|0,0,2]=4 28953 B13R1.555 CC#CCCOC1CCCCC1O 34a_100000750427_100000038908 [0,1,0,1,0,0|0,0,2]=4 28954 B13R1.555 CC#CCNCC1CCCCC1O 34a_100011216029_100000748600 [0,1,0,1,0,0|0,0,2]=4 28955 B13R1.555 CC/C=C\COC1CCCCC1O 34a_100016268518_100000038908 [0,1,0,1,0,0|0,0,2]=4 28956 B13R1.555 CC/C=C\CSC1CCCCC1O 62a_100000038908_100103147603 [0,1,0,1,0,0|0,0,2]=4 28957 B13R1.555 CC/C=C\CSC1CCCCC1O 62a_100103147603_100000038908 [0,1,0,1,0,0|0,0,2]=4 28958 B13R1.555 CC1CC=CCC1CNCCCO 269862a_100000182051_100000117039 [0,1,0,1,0,0|0,0,2]=4 28959 B13R1.555 CC1CC=CCC1CNCCCO 270004a_100000182051_100000117039 [0,1,0,1,0,0|0,0,2]=4 28960 B13R1.555 CC1CC=CCC1COCCCO 34a_100000211322_100000230001 [0,1,0,1,0,0|0,0,2]=4 28961 B13R1.555 CC1CCCCC1NCC#CCO 2230a_100000211402_200000047223 [0,1,0,1,0,0|0,0,2]=4 28962 B13R1.555 CC1CCCCC1NCC#CCO 34a_100000211402_200000047223 [0,1,0,1,0,0|0,0,2]=4 28963 B13R1.555 CC1CCCCC1NCCCC#N 2230a_100000211402_100000687738 [0,1,0,1,0,0|1,0,1]=4 28964 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [0,1,0,1,0,0|0,0,2]=4 28965 B13R1.555 CC1CCCCC1NCCCCF 2230a_100000211402_100000729493 [0,1,0,1,0,0|1,0,0]=3 28966 B13R1.555 CC1CCCCC1NCCCCF 34a_100000211402_100000729493 [0,1,0,1,0,0|1,0,0]=3 28967 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [0,1,0,1,0,0|0,0,0]=2 28968 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [0,1,0,1,0,0|0,0,0]=2 28969 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [0,1,0,1,0,0|0,0,0]=2 28970 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [0,1,0,1,0,0|0,0,0]=2 28971 B13R1.555 CC1CCCCC1OCC#CCO 34a_100000211207_200000047223 [0,1,0,1,0,0|0,0,2]=4 28972 B13R1.555 CC1CCCCC1OCC#CCO 7a_100000211207_200000047223 [0,1,0,1,0,0|0,0,2]=4 28973 B13R1.555 CC1CCCCC1OCCCC#N 7a_100000211207_100000687738 [0,1,0,1,0,0|1,0,1]=4 28974 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [0,1,0,1,0,0|0,0,2]=4 28975 B13R1.555 CC1CCCCC1OCCCCF 34a_100000211207_100000729493 [0,1,0,1,0,0|1,0,0]=3 28976 B13R1.555 CC1CCCCC1OCCCCF 7a_100000211207_100000729493 [0,1,0,1,0,0|1,0,0]=3 28977 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [0,1,0,1,0,0|0,0,0]=2 28978 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [0,1,0,1,0,0|0,0,0]=2 28979 B13R1.555 CC1CCCCN1CCCCC#N 2230a_100000211376_100000211819 [0,1,0,1,0,0|1,0,1]=4 28980 B13R1.555 CC1CCCCN1CCCCC#N 269982a_100000211376_100011219923 [0,1,0,1,0,0|1,0,1]=4 28981 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [0,1,0,1,0,0|0,0,2]=4 28982 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [0,1,0,1,0,0|0,0,2]=4 28983 B13R1.555 CC1CCCCN1CCCCCF 2230a_100000211376_100000729378 [0,1,0,1,0,0|1,0,0]=3 28984 B13R1.555 CC1CCCCN1CCCCCF 269982a_100000211376_100000729378 [0,1,0,1,0,0|1,0,0]=3 28985 B13R1.555 CC1CCCCN1CCCCCF 34a_100000211376_100000729378 [0,1,0,1,0,0|1,0,0]=3 28986 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [0,1,0,1,0,0|0,0,0]=2 28987 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [0,1,0,1,0,0|0,0,0]=2 28988 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [0,1,0,1,0,0|0,0,0]=2 28989 B13R1.555 CC1CCCCN1CCCNCF 34a_100000212276_100015361967 [0,1,0,1,0,0|2,0,0]=4 28990 B13R1.555 CC1CCCCN1CCCOCF 34a_100000213889_100015361967 [0,1,0,1,0,0|2,0,0]=4 28991 B13R1.555 CC1CCCCN1CCCOCF 7a_100000213889_100015361967 [0,1,0,1,0,0|2,0,0]=4 28992 B13R1.555 CC1CCCCN1CCNCCF 2230a_100000739827_100011217306 [0,1,0,1,0,0|2,0,0]=4 28993 B13R1.555 CC1CCCCN1CCNCCF 34a_100000739827_100011217306 [0,1,0,1,0,0|2,0,0]=4 28994 B13R1.555 CC1CCCCN1CCNCCO 2230a_100000739827_100000211926 [0,1,0,1,0,0|1,0,0]=3 28995 B13R1.555 CC1CCCCN1CCNCCO 34a_100000739827_100000211926 [0,1,0,1,0,0|1,0,0]=3 28996 B13R1.555 CC1CCCCN1CCOCCF 34a_100011305533_100011217306 [0,1,0,1,0,0|2,0,0]=4 28997 B13R1.555 CC1CCCCN1CCOCCO 2230a_100000211376_100011215305 [0,1,0,1,0,0|1,0,0]=3 28998 B13R1.555 CC1CCCCN1CCOCCO 269982a_100000211376_100011215305 [0,1,0,1,0,0|1,0,0]=3 28999 B13R1.555 CC1CCCCN1CCOCCO 34a_100000211376_100000692535 [0,1,0,1,0,0|1,0,0]=3 29000 B13R1.555 CC1CCCCN1CCOCCO 34a_100011305533_100000211926 [0,1,0,1,0,0|1,0,0]=3 29001 B13R1.555 CC1CCNCC1OCCCCF 34a_100000696640_100000729493 [0,1,0,1,0,0|2,0,0]=4 29002 B13R1.555 CC1CCNCC1OCCCCO 34a_100000696640_100011216708 [0,1,0,1,0,0|1,0,0]=3 29003 B13R1.555 CC1CNCCC1NCCCCO 270004a_100000750430_100000703950 [0,1,0,1,0,0|1,0,0]=3 29004 B13R1.555 CC1CNCCC1OCCCCF 34a_100011998114_100000729493 [0,1,0,1,0,0|2,0,0]=4 29005 B13R1.555 CC1CNCCC1OCCCCO 34a_100011998114_100011216708 [0,1,0,1,0,0|1,0,0]=3 29006 B13R1.555 CC1COCCC1NCCCCO 270004a_100000750430_100000755695 [0,1,0,1,0,0|1,0,0]=3 29007 B13R1.555 CC=CCNCC1CCCCC1O 34a_100011216029_100000070051 [0,1,0,1,0,0|0,0,2]=4 29008 B13R1.555 CCC#CCOC1CCCCC1O 34a_100000032950_100000038908 [0,1,0,1,0,0|0,0,2]=4 29009 B13R1.555 CCC#CCSC1CCCCC1O 62a_100000038908_100009813939 [0,1,0,1,0,0|0,0,2]=4 29010 B13R1.555 CCC#CCSC1CCCCC1O 62a_100009813939_100000038908 [0,1,0,1,0,0|0,0,2]=4 29011 B13R1.555 CCCCCCN1CCCCC1C 2230a_100000211376_100000210314 [0,1,0,1,0,0|1,0,0]=3 29012 B13R1.555 CCCCCCN1CCCCC1C 269982a_100000211376_100000210757 [0,1,0,1,0,0|1,0,0]=3 29013 B13R1.555 CCCCCCN1CCCCC1C 34a_100000211376_100000210314 [0,1,0,1,0,0|1,0,0]=3 29014 B13R1.555 CCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210314 [0,1,0,1,0,0|2,0,0]=4 29015 B13R1.555 CCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210757 [0,1,0,1,0,0|2,0,0]=4 29016 B13R1.555 CCCCCCN1CCOC[C@@H]1C 34a_100009815349_100000210314 [0,1,0,1,0,0|2,0,0]=4 29017 B13R1.555 CCCCCNC1CCCCC1C 2230a_100000211402_100000210326 [0,1,0,1,0,0|1,0,0]=3 29018 B13R1.555 CCCCCNC1CCCCC1C 269862a_100000209983_100000210921 [0,1,0,1,0,0|1,0,0]=3 29019 B13R1.555 CCCCCNC1CCCCC1C 270004a_100000209983_100000210921 [0,1,0,1,0,0|1,0,0]=3 29020 B13R1.555 CCCCCNC1CCCCC1C 34a_100000211402_100000718602 [0,1,0,1,0,0|1,0,0]=3 29021 B13R1.555 CCCCCNC1CCNCC1C 270004a_100000209983_100000703950 [0,1,0,1,0,0|2,0,0]=4 29022 B13R1.555 CCCCCNC1CCOCC1C 270004a_100000209983_100000755695 [0,1,0,1,0,0|2,0,0]=4 29023 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210326 [0,1,0,1,0,0|1,0,0]=3 29024 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000718602 [0,1,0,1,0,0|1,0,0]=3 29025 B13R1.555 CCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210326 [0,1,0,1,0,0|1,0,0]=3 29026 B13R1.555 CCCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210326 [0,1,0,1,0,0|2,0,0]=4 29027 B13R1.555 CCCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000718602 [0,1,0,1,0,0|2,0,0]=4 29028 B13R1.555 CCCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210326 [0,1,0,1,0,0|1,0,0]=3 29029 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,1,0,1,0,0|0,0,2]=4 29030 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,1,0,1,0,0|0,0,2]=4 29031 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,1,0,1,0,0|0,0,2]=4 29032 B13R1.555 CCCCCOC1CCCCC1C 34a_100000211207_100000718602 [0,1,0,1,0,0|1,0,0]=3 29033 B13R1.555 CCCCCOC1CCCCC1C 7a_100000211207_100000210326 [0,1,0,1,0,0|1,0,0]=3 29034 B13R1.555 CCCCCOC1CCCCC1Cl 34a_100000038908_100000718602 [0,1,0,1,0,0|1,0,0]=3 29035 B13R1.555 CCCCCOC1CCCCC1Cl 7a_100000038908_100000210326 [0,1,0,1,0,0|1,0,0]=3 29036 B13R1.555 CCCCCOC1CCCCC1F 34a_100000210253_100015423560 [0,1,0,1,0,0|1,0,0]=3 29037 B13R1.555 CCCCCOC1CCCCC1O 34a_100000210253_100000038908 [0,1,0,1,0,0|0,0,0]=2 29038 B13R1.555 CCCCCOC1CCNCC1C 34a_100011998114_100000718602 [0,1,0,1,0,0|2,0,0]=4 29039 B13R1.555 CCCCCOC1CNCCC1C 34a_100000696640_100000718602 [0,1,0,1,0,0|2,0,0]=4 29040 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000718602 [0,1,0,1,0,0|1,0,0]=3 29041 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210326 [0,1,0,1,0,0|1,0,0]=3 29042 B13R1.555 CCCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000718602 [0,1,0,1,0,0|2,0,0]=4 29043 B13R1.555 CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000718602 [0,1,0,1,0,0|1,0,0]=3 29044 B13R1.555 CCCCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000718602 [0,1,0,1,0,0|2,0,0]=4 29045 B13R1.555 CCCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000718602 [0,1,0,1,0,0|2,0,0]=4 29046 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,1,0,1,0,0|0,0,2]=4 29047 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,1,0,1,0,0|0,0,2]=4 29048 B13R1.555 CCCCCSC1CCCCC1F 62a_100000210326_100015423560 [0,1,0,1,0,0|1,0,0]=3 29049 B13R1.555 CCCCCSC1CCCCC1F 62a_100015423560_100000210326 [0,1,0,1,0,0|1,0,0]=3 29050 B13R1.555 CCCCCSC1CCCCC1O 62a_100000038908_100000210326 [0,1,0,1,0,0|0,0,0]=2 29051 B13R1.555 CCCCCSC1CCCCC1O 62a_100000210326_100000038908 [0,1,0,1,0,0|0,0,0]=2 29052 B13R1.555 CCCCNCC1CCCCC1O 34a_100011216029_100000210210 [0,1,0,1,0,0|0,0,0]=2 29053 B13R1.555 CCCCNCC1CCCCN1C 34a_100011228421_100000210210 [0,1,0,1,0,0|2,0,0]=4 29054 B13R1.555 CCCCNCC1CCCCN1C 7a_106832991798_100015185383 [0,1,0,1,0,0|2,0,0]=4 29055 B13R1.555 CCCCNN=C1CCCCC1O 4a_100025702795_100011214950 [0,1,0,1,0,0|1,0,1]=4 29056 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,1,0,1,0,0|0,0,2]=4 29057 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,1,0,1,0,0|0,0,2]=4 29058 B13R1.555 CCCCOCC1CCCCN1C 34a_100000210227_100015186950 [0,1,0,1,0,0|2,0,0]=4 29059 B13R1.555 CCCCOCC1CCCCN1C 34a_100000225079_100000210210 [0,1,0,1,0,0|2,0,0]=4 29060 B13R1.555 CCCCOCC1CCCCN1C 7a_100000210227_100015185383 [0,1,0,1,0,0|2,0,0]=4 29061 B13R1.555 CCCCOCC1COCCC1N 34a_214813039666_100000210210 [0,1,0,1,0,0|2,0,0]=4 29062 B13R1.555 CCCCOCN1CCCCC1C 2230a_100000211376_100011995733 [0,1,0,1,0,0|2,0,0]=4 29063 B13R1.555 CCCCOCN1CCCCC1C 269982a_100000211376_100011995733 [0,1,0,1,0,0|2,0,0]=4 29064 B13R1.555 CCCCOCN1CCCCC1C 34a_100000211376_100011995733 [0,1,0,1,0,0|2,0,0]=4 29065 B13R1.555 CCCCSCC1CCCCN1C 62a_100000210211_100015185383 [0,1,0,1,0,0|2,0,0]=4 29066 B13R1.555 CCCCSCC1CCCCN1C 62a_100015185383_100000210210 [0,1,0,1,0,0|2,0,0]=4 29067 B13R1.555 CCCNCCN1CCCCC1C 2230a_100000739827_100000210303 [0,1,0,1,0,0|2,0,0]=4 29068 B13R1.555 CCCNCCN1CCCCC1C 34a_100000739827_100000210303 [0,1,0,1,0,0|2,0,0]=4 29069 B13R1.555 CCCOCCC1CCCCN1C 34a_100000210258_100000211948 [0,1,0,1,0,0|2,0,0]=4 29070 B13R1.555 CCCOCCN1CCCCC1C 2230a_100000211376_100011215938 [0,1,0,1,0,0|2,0,0]=4 29071 B13R1.555 CCCOCCN1CCCCC1C 269982a_100000211376_100011215938 [0,1,0,1,0,0|2,0,0]=4 29072 B13R1.555 CCCOCCN1CCCCC1C 34a_100000211376_100011215938 [0,1,0,1,0,0|2,0,0]=4 29073 B13R1.555 CCCOCCN1CCCCC1C 34a_100011305533_100000210303 [0,1,0,1,0,0|2,0,0]=4 29074 B13R1.555 CCCSCCC1CCCCN1C 62a_100000210303_100000211948 [0,1,0,1,0,0|2,0,0]=4 29075 B13R1.555 CCCSCCC1CCCCN1C 62a_100000211948_100000210303 [0,1,0,1,0,0|2,0,0]=4 29076 B13R1.555 CCNCCCN1CCCCC1C 34a_100000212276_100000210202 [0,1,0,1,0,0|2,0,0]=4 29077 B13R1.555 CCOCCCN1CCCCC1C 2230a_100000211376_100012232248 [0,1,0,1,0,0|2,0,0]=4 29078 B13R1.555 CCOCCCN1CCCCC1C 269982a_100000211376_100012232248 [0,1,0,1,0,0|2,0,0]=4 29079 B13R1.555 CCOCCCN1CCCCC1C 34a_100000211376_100012232248 [0,1,0,1,0,0|2,0,0]=4 29080 B13R1.555 CCOCCCN1CCCCC1C 34a_100000213889_100000210202 [0,1,0,1,0,0|2,0,0]=4 29081 B13R1.555 CCOCCCN1CCCCC1C 7a_100000213889_100000210202 [0,1,0,1,0,0|2,0,0]=4 29082 B13R1.555 CCOCCNC1CCCCC1C 2230a_100000211402_100011215890 [0,1,0,1,0,0|2,0,0]=4 29083 B13R1.555 CCOCCNC1CCCCC1C 269862a_100011200944_100000210921 [0,1,0,1,0,0|2,0,0]=4 29084 B13R1.555 CCOCCNC1CCCCC1C 270004a_102516460346_100000210921 [0,1,0,1,0,0|2,0,0]=4 29085 B13R1.555 CCOCCNC1CCCCC1C 34a_100000211402_100000210147 [0,1,0,1,0,0|2,0,0]=4 29086 B13R1.555 CCOCCNC1CCCCC1F 34a_102516460346_100015423560 [0,1,0,1,0,0|2,0,0]=4 29087 B13R1.555 CCOCCNC1CCCCC1O 34a_102516460346_100000038908 [0,1,0,1,0,0|1,0,0]=3 29088 B13R1.555 CCOCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011215890 [0,1,0,1,0,0|2,0,0]=4 29089 B13R1.555 CCOCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210147 [0,1,0,1,0,0|2,0,0]=4 29090 B13R1.555 CCOCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011215890 [0,1,0,1,0,0|2,0,0]=4 29091 B13R1.555 CCOCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011215890 [0,1,0,1,0,0|2,0,0]=4 29092 B13R1.555 CCOCCOC1CCCCC1C 34a_100000211207_100000210147 [0,1,0,1,0,0|2,0,0]=4 29093 B13R1.555 CCOCCOC1CCCCC1C 7a_100000211207_100011215890 [0,1,0,1,0,0|2,0,0]=4 29094 B13R1.555 CCOCCOC1CCCCC1Cl 34a_100000038908_100000210147 [0,1,0,1,0,0|2,0,0]=4 29095 B13R1.555 CCOCCOC1CCCCC1Cl 7a_100000038908_100011215890 [0,1,0,1,0,0|2,0,0]=4 29096 B13R1.555 CCOCCOC1CCCCC1F 34a_100000210136_100015423560 [0,1,0,1,0,0|2,0,0]=4 29097 B13R1.555 CCOCCOC1CCCCC1O 34a_100000210136_100000038908 [0,1,0,1,0,0|1,0,0]=3 29098 B13R1.555 CCOCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210147 [0,1,0,1,0,0|2,0,0]=4 29099 B13R1.555 CCOCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215890 [0,1,0,1,0,0|2,0,0]=4 29100 B13R1.555 CCOCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210147 [0,1,0,1,0,0|2,0,0]=4 29101 B13R1.555 CCOCCSC1CCCCC1F 62a_100000210147_100015423560 [0,1,0,1,0,0|2,0,0]=4 29102 B13R1.555 CCOCCSC1CCCCC1F 62a_100015423560_100011215890 [0,1,0,1,0,0|2,0,0]=4 29103 B13R1.555 CCOCCSC1CCCCC1O 62a_100000038908_100011215890 [0,1,0,1,0,0|1,0,0]=3 29104 B13R1.555 CCOCCSC1CCCCC1O 62a_100000210147_100000038908 [0,1,0,1,0,0|1,0,0]=3 29105 B13R1.555 CCSCCNC1CCCCC1C 2230a_100000211402_100000757381 [0,1,0,1,0,0|2,0,0]=4 29106 B13R1.555 CCSCCNC1CCCCC1C 269862a_100000106463_100000210921 [0,1,0,1,0,0|2,0,0]=4 29107 B13R1.555 CCSCCNC1CCCCC1C 270004a_100000106463_100000210921 [0,1,0,1,0,0|2,0,0]=4 29108 B13R1.555 CCSCCNC1CCCCC1C 34a_100000211402_100000757381 [0,1,0,1,0,0|2,0,0]=4 29109 B13R1.555 CCSCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000757381 [0,1,0,1,0,0|2,0,0]=4 29110 B13R1.555 CCSCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000757381 [0,1,0,1,0,0|2,0,0]=4 29111 B13R1.555 CCSCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000757381 [0,1,0,1,0,0|2,0,0]=4 29112 B13R1.555 CCSCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000757381 [0,1,0,1,0,0|2,0,0]=4 29113 B13R1.555 CCSCCOC1CCCCC1C 34a_100000211207_100000757381 [0,1,0,1,0,0|2,0,0]=4 29114 B13R1.555 CCSCCOC1CCCCC1C 7a_100000211207_100000757381 [0,1,0,1,0,0|2,0,0]=4 29115 B13R1.555 CCSCCOC1CCCCC1Cl 34a_100000038908_100000757381 [0,1,0,1,0,0|2,0,0]=4 29116 B13R1.555 CCSCCOC1CCCCC1Cl 7a_100000038908_100000757381 [0,1,0,1,0,0|2,0,0]=4 29117 B13R1.555 CCSCCOC1CCCCC1F 34a_100000212035_100015423560 [0,1,0,1,0,0|2,0,0]=4 29118 B13R1.555 CCSCCOC1CCCCC1O 34a_100000212035_100000038908 [0,1,0,1,0,0|1,0,0]=3 29119 B13R1.555 CCSCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000757381 [0,1,0,1,0,0|2,0,0]=4 29120 B13R1.555 CCSCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000757381 [0,1,0,1,0,0|2,0,0]=4 29121 B13R1.555 CCSCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000757381 [0,1,0,1,0,0|2,0,0]=4 29122 B13R1.555 CCSCCSC1CCCCC1F 62a_100000757381_100015423560 [0,1,0,1,0,0|2,0,0]=4 29123 B13R1.555 CCSCCSC1CCCCC1F 62a_100015423560_100000757381 [0,1,0,1,0,0|2,0,0]=4 29124 B13R1.555 CCSCCSC1CCCCC1O 62a_100000038908_100000757381 [0,1,0,1,0,0|1,0,0]=3 29125 B13R1.555 CCSCCSC1CCCCC1O 62a_100000757381_100000038908 [0,1,0,1,0,0|1,0,0]=3 29126 B13R1.555 CN1CCCCC1CCNCCF 34a_100000724931_100000211948 [0,1,0,1,0,0|2,0,0]=4 29127 B13R1.555 CN1CCCCC1CCNCCO 2230a_100016997473_100000211948 [0,1,0,1,0,0|1,0,0]=3 29128 B13R1.555 CN1CCCCC1CCNCCO 34a_100016990907_100000211948 [0,1,0,1,0,0|1,0,0]=3 29129 B13R1.555 CN1CCCCC1CCOCCBr 34a_100000211926_100000211948 [0,1,0,1,0,0|2,0,0]=4 29130 B13R1.555 CN1CCCCC1CCOCCN 34a_100000210304_100000211948 [0,1,0,1,0,0|2,0,0]=4 29131 B13R1.555 CN1CCCCC1CCSCCF 62a_100000211948_100011217306 [0,1,0,1,0,0|2,0,0]=4 29132 B13R1.555 CN1CCCCC1CCSCCF 62a_100011217306_100000211948 [0,1,0,1,0,0|2,0,0]=4 29133 B13R1.555 CN1CCCCC1CCSCCO 62a_100000211926_100000211948 [0,1,0,1,0,0|1,0,0]=3 29134 B13R1.555 CN1CCCCC1CCSCCO 62a_100000211948_100000211926 [0,1,0,1,0,0|1,0,0]=3 29135 B13R1.555 CN1CCCCC1CNCCCF 34a_100011228421_100011934791 [0,1,0,1,0,0|2,0,0]=4 29136 B13R1.555 CN1CCCCC1CNCCCF 34a_100015189416_100015186950 [0,1,0,1,0,0|2,0,0]=4 29137 B13R1.555 CN1CCCCC1CNCCCO 34a_100011228421_100000230001 [0,1,0,1,0,0|1,0,0]=3 29138 B13R1.555 CN1CCCCC1COCCCBr 34a_100011217188_100015186950 [0,1,0,1,0,0|2,0,0]=4 29139 B13R1.555 CN1CCCCC1COCCCCl 34a_100000230001_100015186950 [0,1,0,1,0,0|2,0,0]=4 29140 B13R1.555 CN1CCCCC1COCCCF 34a_100000225079_100011934791 [0,1,0,1,0,0|2,0,0]=4 29141 B13R1.555 CN1CCCCC1COCCCF 34a_100000759539_100015186950 [0,1,0,1,0,0|2,0,0]=4 29142 B13R1.555 CN1CCCCC1COCCCN 34a_100000182051_100015186950 [0,1,0,1,0,0|2,0,0]=4 29143 B13R1.555 CN1CCCCC1COCCCO 34a_100000225079_100000230001 [0,1,0,1,0,0|1,0,0]=3 29144 B13R1.555 CN1CCCCC1COCCON 34a_100000700252_100015186950 [0,1,0,1,0,0|2,0,0]=4 29145 B13R1.555 CN1CCCCC1CSCCCF 62a_100011934791_100015185383 [0,1,0,1,0,0|2,0,0]=4 29146 B13R1.555 CN1CCCCC1CSCCCF 62a_100015185383_100011934791 [0,1,0,1,0,0|2,0,0]=4 29147 B13R1.555 CN1CCCCC1CSCCCO 62a_100011215043_100015185383 [0,1,0,1,0,0|1,0,0]=3 29148 B13R1.555 CN1CCCCC1CSCCCO 62a_100015185383_100011215043 [0,1,0,1,0,0|1,0,0]=3 29149 B13R1.555 CN1CCOCC1COCCCO 34a_100013547906_100000230001 [0,1,0,1,0,0|2,0,0]=4 29150 B13R1.555 CNCCCOC1CCCCC1F 34a_100000213112_100015423560 [0,1,0,1,0,0|2,0,0]=4 29151 B13R1.555 CNCCCOC1CCCCC1O 34a_100000213112_100000038908 [0,1,0,1,0,0|1,0,0]=3 29152 B13R1.555 COCCCCN1CCCCC1C 2230a_100000211376_100000730899 [0,1,0,1,0,0|1,0,0]=3 29153 B13R1.555 COCCCCN1CCCCC1C 269982a_100000211376_100000730899 [0,1,0,1,0,0|1,0,0]=3 29154 B13R1.555 COCCCCN1CCCCC1C 34a_100000211376_100000755781 [0,1,0,1,0,0|1,0,0]=3 29155 B13R1.555 COCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000730899 [0,1,0,1,0,0|2,0,0]=4 29156 B13R1.555 COCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000730899 [0,1,0,1,0,0|2,0,0]=4 29157 B13R1.555 COCCCCN1CCOC[C@@H]1C 34a_100009815349_100000755781 [0,1,0,1,0,0|2,0,0]=4 29158 B13R1.555 COCCCNC1CCCCC1C 2230a_100000211402_100000740836 [0,1,0,1,0,0|1,0,0]=3 29159 B13R1.555 COCCCNC1CCCCC1C 269862a_100150723488_100000210921 [0,1,0,1,0,0|1,0,0]=3 29160 B13R1.555 COCCCNC1CCCCC1C 270004a_100150723488_100000210921 [0,1,0,1,0,0|1,0,0]=3 29161 B13R1.555 COCCCNC1CCCCC1C 34a_100000211402_100000740836 [0,1,0,1,0,0|1,0,0]=3 29162 B13R1.555 COCCCNC1CCCCC1F 34a_100150723488_100015423560 [0,1,0,1,0,0|2,0,0]=4 29163 B13R1.555 COCCCNC1CCCCC1O 34a_100150723488_100000038908 [0,1,0,1,0,0|1,0,0]=3 29164 B13R1.555 COCCCNC1CCNCC1C 270004a_100150723488_100000703950 [0,1,0,1,0,0|2,0,0]=4 29165 B13R1.555 COCCCNC1CCOCC1C 270004a_100150723488_100000755695 [0,1,0,1,0,0|2,0,0]=4 29166 B13R1.555 COCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000740836 [0,1,0,1,0,0|2,0,0]=4 29167 B13R1.555 COCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000740836 [0,1,0,1,0,0|2,0,0]=4 29168 B13R1.555 COCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000740836 [0,1,0,1,0,0|2,0,0]=4 29169 B13R1.555 COCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000740836 [0,1,0,1,0,0|2,0,0]=4 29170 B13R1.555 COCCCOC1CCCCC1C 34a_100000211207_100000740836 [0,1,0,1,0,0|1,0,0]=3 29171 B13R1.555 COCCCOC1CCCCC1C 7a_100000211207_100000740836 [0,1,0,1,0,0|1,0,0]=3 29172 B13R1.555 COCCCOC1CCCCC1Cl 34a_100000038908_100000740836 [0,1,0,1,0,0|2,0,0]=4 29173 B13R1.555 COCCCOC1CCCCC1Cl 7a_100000038908_100000740836 [0,1,0,1,0,0|2,0,0]=4 29174 B13R1.555 COCCCOC1CCCCC1F 34a_100000740835_100015423560 [0,1,0,1,0,0|2,0,0]=4 29175 B13R1.555 COCCCOC1CCCCC1O 34a_100000740835_100000038908 [0,1,0,1,0,0|1,0,0]=3 29176 B13R1.555 COCCCOC1CCNCC1C 34a_100011998114_100000740836 [0,1,0,1,0,0|2,0,0]=4 29177 B13R1.555 COCCCOC1CNCCC1C 34a_100000696640_100000740836 [0,1,0,1,0,0|2,0,0]=4 29178 B13R1.555 COCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000740836 [0,1,0,1,0,0|2,0,0]=4 29179 B13R1.555 COCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000740836 [0,1,0,1,0,0|2,0,0]=4 29180 B13R1.555 COCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000740836 [0,1,0,1,0,0|2,0,0]=4 29181 B13R1.555 COCCCSC1CCCCC1F 62a_100000709357_100015423560 [0,1,0,1,0,0|2,0,0]=4 29182 B13R1.555 COCCCSC1CCCCC1F 62a_100015423560_100000709357 [0,1,0,1,0,0|2,0,0]=4 29183 B13R1.555 COCCCSC1CCCCC1O 62a_100000038908_100000709357 [0,1,0,1,0,0|1,0,0]=3 29184 B13R1.555 COCCCSC1CCCCC1O 62a_100000709357_100000038908 [0,1,0,1,0,0|1,0,0]=3 29185 B13R1.555 COCCNCC1CCCCC1O 34a_100011216029_100011201679 [0,1,0,1,0,0|1,0,0]=3 29186 B13R1.555 COCCNCC1CCCCN1C 34a_100011228421_100011201679 [0,1,0,1,0,0|2,0,0]=4 29187 B13R1.555 COCCOCC1CCCCN1C 34a_100000210237_100015186950 [0,1,0,1,0,0|2,0,0]=4 29188 B13R1.555 COCCOCC1CCCCN1C 34a_100000225079_100011201679 [0,1,0,1,0,0|2,0,0]=4 29189 B13R1.555 COCCOCN1CCCCC1C 2230a_100000211376_100000231047 [0,1,0,1,0,0|2,0,0]=4 29190 B13R1.555 COCCOCN1CCCCC1C 269982a_100000211376_100000231047 [0,1,0,1,0,0|2,0,0]=4 29191 B13R1.555 COCCSCC1CCCCN1C 62a_100000233755_100015185383 [0,1,0,1,0,0|2,0,0]=4 29192 B13R1.555 COCCSCC1CCCCN1C 62a_100015185383_100000233755 [0,1,0,1,0,0|2,0,0]=4 29193 B13R1.555 COCNCCN1CCCCC1C 2230a_100000739827_100000766300 [0,1,0,1,0,0|2,0,0]=4 29194 B13R1.555 COCSCCC1CCCCN1C 62a_100000211948_100000766300 [0,1,0,1,0,0|2,0,0]=4 29195 B13R1.555 COCSCCC1CCCCN1C 62a_100000766300_100000211948 [0,1,0,1,0,0|2,0,0]=4 29196 B13R1.555 CSCCCNC1CCCCC1C 269862a_100000749238_100000210921 [0,1,0,1,0,0|1,1,0]=4 29197 B13R1.555 CSCCCNC1CCCCC1C 270004a_100000749238_100000210921 [0,1,0,1,0,0|1,1,0]=4 29198 B13R1.555 CSCCCOC1CCCCC1F 34a_100000690336_100015423560 [0,1,0,1,0,0|2,0,0]=4 29199 B13R1.555 CSCCCOC1CCCCC1O 34a_100000690336_100000038908 [0,1,0,1,0,0|1,0,0]=3 29200 B13R1.555 CSCCNCC1CCCCC1O 34a_100011216029_100000212216 [0,1,0,1,0,0|1,0,0]=3 29201 B13R1.555 C[C@H]1COCCN1CCCCCF 2230a_100009815349_100000729378 [0,1,0,1,0,0|2,0,0]=4 29202 B13R1.555 C[C@H]1COCCN1CCCCCF 269982a_100009815349_100000729378 [0,1,0,1,0,0|2,0,0]=4 29203 B13R1.555 C[C@H]1COCCN1CCCCCF 34a_100009815349_100000729378 [0,1,0,1,0,0|2,0,0]=4 29204 B13R1.555 C[C@H]1COCCN1CCCCCO 2230a_100009815349_100000746330 [0,1,0,1,0,0|1,0,0]=3 29205 B13R1.555 C[C@H]1COCCN1CCCCCO 269982a_100009815349_100000746330 [0,1,0,1,0,0|1,0,0]=3 29206 B13R1.555 C[C@H]1COCCN1CCCCCO 34a_100009815349_100000746330 [0,1,0,1,0,0|1,0,0]=3 29207 B13R1.555 C[C@H]1COCCN1CCOCCO 2230a_100009815349_100011215305 [0,1,0,1,0,0|2,0,0]=4 29208 B13R1.555 C[C@H]1COCCN1CCOCCO 269982a_100009815349_100011215305 [0,1,0,1,0,0|2,0,0]=4 29209 B13R1.555 C[C@H]1COCCN1CCOCCO 34a_100009815349_100000692535 [0,1,0,1,0,0|2,0,0]=4 29210 B13R1.555 FC1CCCCC1OCCCCBr 34a_100011216708_100015423560 [0,1,0,1,0,0|2,0,0]=4 29211 B13R1.555 FC1CCCCC1OCCCCCl 34a_100000210776_100015423560 [0,1,0,1,0,0|2,0,0]=4 29212 B13R1.555 FC1CCCCC1OCCCCI 34a_200012148704_100015423560 [0,1,0,1,0,0|2,0,0]=4 29213 B13R1.555 FCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000729493 [0,1,0,1,0,0|2,0,0]=4 29214 B13R1.555 FCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000729493 [0,1,0,1,0,0|2,0,0]=4 29215 B13R1.555 FCCCCOC1CCCCC1Cl 34a_100000038908_100000729493 [0,1,0,1,0,0|2,0,0]=4 29216 B13R1.555 FCCCCOC1CCCCC1Cl 7a_100000038908_100000729493 [0,1,0,1,0,0|2,0,0]=4 29217 B13R1.555 FCCCCOC1CCCCC1F 34a_100011995726_100015423560 [0,1,0,1,0,0|2,0,0]=4 29218 B13R1.555 FCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000729493 [0,1,0,1,0,0|2,0,0]=4 29219 B13R1.555 FCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000729493 [0,1,0,1,0,0|2,0,0]=4 29220 B13R1.555 FCCCCSC1CCCCC1F 62a_100000729493_100015423560 [0,1,0,1,0,0|2,0,0]=4 29221 B13R1.555 FCCCCSC1CCCCC1F 62a_100015423560_100000729493 [0,1,0,1,0,0|2,0,0]=4 29222 B13R1.555 N#CCCCSC1CCCCC1O 62a_100000038908_100000687738 [0,1,0,1,0,0|1,0,1]=4 29223 B13R1.555 N#CCCCSC1CCCCC1O 62a_100000687738_100000038908 [0,1,0,1,0,0|1,0,1]=4 29224 B13R1.555 NC1CCOCC1COCCCO 34a_214813039666_100000230001 [0,1,0,1,0,0|2,0,0]=4 29225 B13R1.555 NCCCCOC1CCCCC1F 34a_100000750430_100015423560 [0,1,0,1,0,0|2,0,0]=4 29226 B13R1.555 NCCCCOC1CCCCC1O 34a_100000750430_100000038908 [0,1,0,1,0,0|1,0,0]=3 29227 B13R1.555 N[C@@H]1CCCC[C@@H]1OCCCCF 34a_100015191688_100000729493 [0,1,0,1,0,0|2,0,0]=4 29228 B13R1.555 N[C@@H]1CCCC[C@@H]1OCCCCO 34a_100015191688_100011216708 [0,1,0,1,0,0|1,0,0]=3 29229 B13R1.555 N[C@@H]1CCOC[C@@H]1OCCCCO 34a_100016994285_100011216708 [0,1,0,1,0,0|2,0,0]=4 29230 B13R1.555 N[C@H]1COCC[C@@H]1OCCCCO 34a_100015739063_100011216708 [0,1,0,1,0,0|2,0,0]=4 29231 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [0,1,0,1,0,0|1,0,1]=4 29232 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [0,1,0,1,0,0|1,0,1]=4 29233 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [0,1,0,1,0,0|1,0,1]=4 29234 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [0,1,0,1,0,0|1,0,1]=4 29235 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [0,1,0,1,0,0|1,0,1]=4 29236 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [0,1,0,1,0,0|1,0,1]=4 29237 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [0,1,0,1,0,0|1,0,1]=4 29238 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [0,1,0,1,0,0|1,0,1]=4 29239 B13R1.555 OC1CCCCC1CNCCCF 34a_100011216029_100011934791 [0,1,0,1,0,0|1,0,0]=3 29240 B13R1.555 OC1CCCCC1OCCCCBr 34a_100011216708_100000038908 [0,1,0,1,0,0|1,0,0]=3 29241 B13R1.555 OC1CCCCC1OCCCCCl 34a_100000210776_100000038908 [0,1,0,1,0,0|1,0,0]=3 29242 B13R1.555 OC1CCCCC1OCCCCF 34a_100011995726_100000038908 [0,1,0,1,0,0|1,0,0]=3 29243 B13R1.555 OC1CCCCC1OCCCCI 34a_200012148704_100000038908 [0,1,0,1,0,0|1,0,0]=3 29244 B13R1.555 OC1CCCCC1SCCCCF 62a_100000038908_100000729493 [0,1,0,1,0,0|1,0,0]=3 29245 B13R1.555 OC1CCCCC1SCCCCF 62a_100000729493_100000038908 [0,1,0,1,0,0|1,0,0]=3 29246 B13R1.555 OCCCCNC1CCCCC1F 34a_100000750430_100015423560 [0,1,0,1,0,0|1,0,0]=3 29247 B13R1.555 OCCCCNC1CCCCC1O 34a_100000750430_100000038908 [0,1,0,1,0,0|1,0,0]=3 29248 B13R1.555 OCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210776 [0,1,0,1,0,0|1,0,0]=3 29249 B13R1.555 OCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011216708 [0,1,0,1,0,0|1,0,0]=3 29250 B13R1.555 OCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210776 [0,1,0,1,0,0|2,0,0]=4 29251 B13R1.555 OCCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210776 [0,1,0,1,0,0|2,0,0]=4 29252 B13R1.555 OCCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100011216708 [0,1,0,1,0,0|2,0,0]=4 29253 B13R1.555 OCCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210776 [0,1,0,1,0,0|2,0,0]=4 29254 B13R1.555 OCCCCOC1CCCCC1Cl 34a_100000038908_100011216708 [0,1,0,1,0,0|1,0,0]=3 29255 B13R1.555 OCCCCOC1CCCCC1Cl 7a_100000038908_100000210776 [0,1,0,1,0,0|1,0,0]=3 29256 B13R1.555 OCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011216708 [0,1,0,1,0,0|1,0,0]=3 29257 B13R1.555 OCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210776 [0,1,0,1,0,0|1,0,0]=3 29258 B13R1.555 OCCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100011216708 [0,1,0,1,0,0|2,0,0]=4 29259 B13R1.555 OCCCCSC1CCCCC1F 62a_100000210776_100015423560 [0,1,0,1,0,0|1,0,0]=3 29260 B13R1.555 OCCCCSC1CCCCC1F 62a_100015423560_100000210776 [0,1,0,1,0,0|1,0,0]=3 29261 B13R1.555 OCCCCSC1CCCCC1O 62a_100000038908_100000210776 [0,1,0,1,0,0|1,0,0]=3 29262 B13R1.555 OCCCCSC1CCCCC1O 62a_100000210776_100000038908 [0,1,0,1,0,0|1,0,0]=3 29263 B13R1.555 OCCCNCC1CCCCC1O 34a_100011216029_100000230001 [0,1,0,1,0,0|1,0,0]=3 29264 B13R1.555 O[C@H]1CCOC[C@@H]1NCCCCF 2230a_100015739063_100000729493 [0,1,0,1,0,0|2,0,0]=4 29265 B13R1.555 O[C@H]1COCC[C@H]1NCCCCF 2230a_100016994285_100000729493 [0,1,0,1,0,0|2,0,0]=4 29266 B13R1.559 C#CCCCCCOCC1CC1C 34a_100000744939_100012094781 [0,1,0,1,0,0|1,0,1]=4 29267 B13R1.559 C#CCCCCCOCC1CC1C 7a_100000744939_100012094781 [0,1,0,1,0,0|1,0,1]=4 29268 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [0,1,0,1,0,0|1,0,1]=4 29269 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [0,1,0,1,0,0|1,0,1]=4 29270 B13R1.559 CC1CC1COCCCCCC#N 7a_100000744939_100009813376 [0,1,0,1,0,0|1,0,1]=4 29271 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [0,1,0,1,0,0|0,0,2]=4 29272 B13R1.559 CC1CC1COCCCCCCF 34a_100000744939_100015922095 [0,1,0,1,0,0|1,0,0]=3 29273 B13R1.559 CC1CC1COCCCCCCF 7a_100000744939_100015922095 [0,1,0,1,0,0|1,0,0]=3 29274 B13R1.559 CC1CC1COCCCCCCO 34a_100000744939_100000766143 [0,1,0,1,0,0|0,0,0]=2 29275 B13R1.559 CC1CC1COCCCCCCO 7a_100000744939_100000766143 [0,1,0,1,0,0|0,0,0]=2 29276 B13R1.559 CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210759 [0,1,0,1,0,0|1,0,0]=3 29277 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210759 [0,1,0,1,0,0|1,0,0]=3 29278 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210759 [0,1,0,1,0,0|1,0,0]=3 29279 B13R1.559 CCCCCCCOCC1CC1C 34a_100000744939_100000210614 [0,1,0,1,0,0|1,0,0]=3 29280 B13R1.559 CCCCCCCOCC1CC1C 7a_100000744939_100000210614 [0,1,0,1,0,0|1,0,0]=3 29281 B13R1.559 CCCCOCCOCC1CC1C 34a_100000744939_100000743108 [0,1,0,1,0,0|2,0,0]=4 29282 B13R1.559 CCCCOCCOCC1CC1C 7a_100000744939_100000743108 [0,1,0,1,0,0|2,0,0]=4 29283 B13R1.559 COCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011998445 [0,1,0,1,0,0|2,0,0]=4 29284 B13R1.559 COCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011998445 [0,1,0,1,0,0|2,0,0]=4 29285 B13R1.559 COCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011998445 [0,1,0,1,0,0|2,0,0]=4 29286 B13R1.559 COCCOCCOCC1CC1C 34a_100000744939_100000695917 [0,1,0,1,0,0|2,0,0]=4 29287 B13R1.559 COCCOCCOCC1CC1C 7a_100000744939_100000695917 [0,1,0,1,0,0|2,0,0]=4 29288 B13R1.559 OCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000760002 [0,1,0,1,0,0|1,0,0]=3 29289 B13R1.559 OCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000760002 [0,1,0,1,0,0|1,0,0]=3 29290 B13R1.559 OCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000760002 [0,1,0,1,0,0|1,0,0]=3 29291 B13R1.560 BrCCCCCCCOC1CCC1 34a_100000760002_100000749161 [0,1,0,1,0,0|1,0,0]=3 29292 B13R1.560 BrCCCCCCCOC1COC1 34a_100000760002_100009818527 [0,1,0,1,0,0|2,0,0]=4 29293 B13R1.560 BrCCCCCCCOC1COC1 7a_100000760002_100009818527 [0,1,0,1,0,0|2,0,0]=4 29294 B13R1.560 BrCCCCCCOCC1CCC1 34a_100011215345_100000763275 [0,1,0,1,0,0|1,0,0]=3 29295 B13R1.560 BrCCCCCCOCC1CCC1 7a_100011215345_100000763275 [0,1,0,1,0,0|1,0,0]=3 29296 B13R1.560 BrCCCCCCOCC1CCO1 34a_100011215345_100000103362 [0,1,0,1,0,0|1,0,0]=3 29297 B13R1.560 BrCCCCCCOCC1CCO1 7a_100011215345_100000103362 [0,1,0,1,0,0|1,0,0]=3 29298 B13R1.560 BrCCCCCCOCC1COC1 34a_100011215345_100010264016 [0,1,0,1,0,0|2,0,0]=4 29299 B13R1.560 BrCCCCCCOCC1COC1 7a_100011215345_100010264016 [0,1,0,1,0,0|2,0,0]=4 29300 B13R1.560 C#CCCCCCCCN1CCC1 269982a_100000754969_100153394163 [0,1,0,1,0,0|1,0,1]=4 29301 B13R1.560 C#CCCCCCCNC1CCC1 2230a_100000749019_100012276617 [0,1,0,1,0,0|1,0,1]=4 29302 B13R1.560 C#CCCCCCCNC1CCC1 34a_100000749019_100012276617 [0,1,0,1,0,0|1,0,1]=4 29303 B13R1.560 C#CCCCCCCOC1CCC1 34a_100000748187_100012276617 [0,1,0,1,0,0|1,0,1]=4 29304 B13R1.560 C#CCCCCCCOC1CCC1 34a_100011217361_100000749161 [0,1,0,1,0,0|1,0,1]=4 29305 B13R1.560 C#CCCCCCCSC1CCC1 62a_100012276617_100000749161 [0,1,0,1,0,0|1,0,1]=4 29306 B13R1.560 C#CCCCCCNCC1CCC1 2230a_100000738700_100012094781 [0,1,0,1,0,0|1,0,1]=4 29307 B13R1.560 C#CCCCCCNCC1CCC1 34a_100000738700_100012094781 [0,1,0,1,0,0|1,0,1]=4 29308 B13R1.560 C#CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100012094781 [0,1,0,1,0,0|0,0,2]=4 29309 B13R1.560 C#CCCCCCNC[C@@H]1CCO1 34a_100020831831_100012094781 [0,1,0,1,0,0|0,0,2]=4 29310 B13R1.560 C#CCCCCCOCC1CCC1 34a_100000760304_100012094781 [0,1,0,1,0,0|1,0,1]=4 29311 B13R1.560 C#CCCCCCOCC1CCC1 34a_100000766912_100000763275 [0,1,0,1,0,0|1,0,1]=4 29312 B13R1.560 C#CCCCCCOCC1CCC1 7a_100000766912_100000763275 [0,1,0,1,0,0|1,0,1]=4 29313 B13R1.560 C#CCCCCCOCC1CCO1 34a_100000039022_100012094781 [0,1,0,1,0,0|0,0,2]=4 29314 B13R1.560 C#CCCCCCOCC1CCO1 34a_100000766912_100000103362 [0,1,0,1,0,0|0,0,2]=4 29315 B13R1.560 C#CCCCCCOCC1CCO1 7a_100000766912_100000103362 [0,1,0,1,0,0|0,0,2]=4 29316 B13R1.560 C#CCCCCCSCC1CCC1 62a_100000763275_100012094781 [0,1,0,1,0,0|1,0,1]=4 29317 B13R1.560 C#CCCCCCSCC1CCC1 62a_100012094781_100000763275 [0,1,0,1,0,0|1,0,1]=4 29318 B13R1.560 C#CCCCCCSCC1CCO1 62a_100000103362_100012094781 [0,1,0,1,0,0|0,0,2]=4 29319 B13R1.560 C#CCCCCCSCC1CCO1 62a_100012094781_100000103362 [0,1,0,1,0,0|0,0,2]=4 29320 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [0,1,0,1,0,0|1,0,1]=4 29321 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [0,1,0,1,0,0|1,0,1]=4 29322 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [0,1,0,1,0,0|1,0,1]=4 29323 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [0,1,0,1,0,0|1,0,1]=4 29324 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [0,1,0,1,0,0|1,0,1]=4 29325 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [0,1,0,1,0,0|1,0,1]=4 29326 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [0,1,0,1,0,0|1,0,1]=4 29327 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [0,1,0,1,0,0|1,0,1]=4 29328 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000700193 [0,1,0,1,0,0|0,0,2]=4 29329 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000700193 [0,1,0,1,0,0|0,0,2]=4 29330 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [0,1,0,1,0,0|1,0,1]=4 29331 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [0,1,0,1,0,0|1,0,1]=4 29332 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [0,1,0,1,0,0|1,0,1]=4 29333 B13R1.560 C=CCCCCCOCC1CCO1 34a_100000039022_100000700193 [0,1,0,1,0,0|0,0,2]=4 29334 B13R1.560 C=CCCCCCOCC1CCO1 34a_100011216702_100000103362 [0,1,0,1,0,0|0,0,2]=4 29335 B13R1.560 C=CCCCCCOCC1CCO1 7a_100011216702_100000103362 [0,1,0,1,0,0|0,0,2]=4 29336 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [0,1,0,1,0,0|1,0,1]=4 29337 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [0,1,0,1,0,0|1,0,1]=4 29338 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000103362_100000700193 [0,1,0,1,0,0|0,0,2]=4 29339 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000700193_100000103362 [0,1,0,1,0,0|0,0,2]=4 29340 B13R1.560 CC/C=C/CCCOCC1CCO1 34a_100016287902_100000103362 [0,1,0,1,0,0|0,0,2]=4 29341 B13R1.560 CC/C=C/CCCOCC1CCO1 7a_100016287902_100000103362 [0,1,0,1,0,0|0,0,2]=4 29342 B13R1.560 CCCC#CCCOCC1CCO1 34a_100000042726_100000103362 [0,1,0,1,0,0|0,0,2]=4 29343 B13R1.560 CCCC#CCCOCC1CCO1 7a_100000042726_100000103362 [0,1,0,1,0,0|0,0,2]=4 29344 B13R1.560 CCCC/C=C/COCC1CCO1 34a_200016272032_100000103362 [0,1,0,1,0,0|0,0,2]=4 29345 B13R1.560 CCCC/C=C/COCC1CCO1 7a_200016272032_100000103362 [0,1,0,1,0,0|0,0,2]=4 29346 B13R1.560 CCCCC#CCOCC1CCO1 34a_200000034558_100000103362 [0,1,0,1,0,0|0,0,2]=4 29347 B13R1.560 CCCCC#CCOCC1CCO1 7a_200000034558_100000103362 [0,1,0,1,0,0|0,0,2]=4 29348 B13R1.560 CCCCCCCCCN1CCC1 269982a_100000754969_100000210670 [0,1,0,1,0,0|1,0,0]=3 29349 B13R1.560 CCCCCCCCNC1CCC1 2230a_100000749019_100000210759 [0,1,0,1,0,0|1,0,0]=3 29350 B13R1.560 CCCCCCCCNC1CCC1 270004a_100000229939_100000241760 [0,1,0,1,0,0|1,0,0]=3 29351 B13R1.560 CCCCCCCCNC1CCC1 34a_100000229939_100000749161 [0,1,0,1,0,0|1,0,0]=3 29352 B13R1.560 CCCCCCCCNC1CCC1 34a_100000749019_100000210759 [0,1,0,1,0,0|1,0,0]=3 29353 B13R1.560 CCCCCCCCNC1COC1 2230a_100016991112_100000210759 [0,1,0,1,0,0|1,0,0]=3 29354 B13R1.560 CCCCCCCCNC1COC1 34a_100000229939_100009818527 [0,1,0,1,0,0|1,0,0]=3 29355 B13R1.560 CCCCCCCCOC1CCC1 34a_100000210232_100000749161 [0,1,0,1,0,0|1,0,0]=3 29356 B13R1.560 CCCCCCCCOC1CCC1 34a_100000748187_100000210759 [0,1,0,1,0,0|1,0,0]=3 29357 B13R1.560 CCCCCCCCOC1COC1 34a_100000210232_100009818527 [0,1,0,1,0,0|1,0,0]=3 29358 B13R1.560 CCCCCCCCOC1COC1 7a_100000210232_100009818527 [0,1,0,1,0,0|1,0,0]=3 29359 B13R1.560 CCCCCCCCOC1CSC1 7a_100000072292_100000210759 [0,1,0,1,0,0|1,1,0]=4 29360 B13R1.560 CCCCCCCCSC1CCC1 62a_100000210759_100000749161 [0,1,0,1,0,0|1,0,0]=3 29361 B13R1.560 CCCCCCCCSC1COC1 62a_100000210759_100009818527 [0,1,0,1,0,0|1,0,0]=3 29362 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000229938_100000763275 [0,1,0,1,0,0|1,0,0]=3 29363 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000738700_100000210681 [0,1,0,1,0,0|1,0,0]=3 29364 B13R1.560 CCCCCCCNCC1CCC1 269862a_100000229938_100000753134 [0,1,0,1,0,0|1,0,0]=3 29365 B13R1.560 CCCCCCCNCC1CCC1 34a_100000738700_100000210614 [0,1,0,1,0,0|1,0,0]=3 29366 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [0,1,0,1,0,0|0,0,0]=2 29367 B13R1.560 CCCCCCCNCC1COC1 2230a_100000229938_100010264016 [0,1,0,1,0,0|1,0,0]=3 29368 B13R1.560 CCCCCCCNCC1COC1 2230a_100015281925_100000210681 [0,1,0,1,0,0|1,0,0]=3 29369 B13R1.560 CCCCCCCNCC1COC1 34a_100015281925_100000210614 [0,1,0,1,0,0|1,0,0]=3 29370 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [0,1,0,1,0,0|0,0,0]=2 29371 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [0,1,0,1,0,0|0,0,0]=2 29372 B13R1.560 CCCCCCCOCC1CCC1 34a_100000210272_100000763275 [0,1,0,1,0,0|1,0,0]=3 29373 B13R1.560 CCCCCCCOCC1CCC1 34a_100000760304_100000210614 [0,1,0,1,0,0|1,0,0]=3 29374 B13R1.560 CCCCCCCOCC1CCC1 7a_100000210272_100000763275 [0,1,0,1,0,0|1,0,0]=3 29375 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,1,0,1,0,0|0,0,0]=2 29376 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,1,0,1,0,0|0,0,0]=2 29377 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,1,0,1,0,0|0,0,0]=2 29378 B13R1.560 CCCCCCCOCC1CNC1 34a_100016987283_100000210614 [0,1,0,1,0,0|2,0,0]=4 29379 B13R1.560 CCCCCCCOCC1COC1 34a_100000060846_100000210614 [0,1,0,1,0,0|1,0,0]=3 29380 B13R1.560 CCCCCCCOCC1COC1 34a_100000210272_100010264016 [0,1,0,1,0,0|1,0,0]=3 29381 B13R1.560 CCCCCCCOCC1COC1 7a_100000210272_100010264016 [0,1,0,1,0,0|1,0,0]=3 29382 B13R1.560 CCCCCCCSCC1CCC1 62a_100000210614_100000763275 [0,1,0,1,0,0|1,0,0]=3 29383 B13R1.560 CCCCCCCSCC1CCC1 62a_100000763275_100000210316 [0,1,0,1,0,0|1,0,0]=3 29384 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [0,1,0,1,0,0|0,0,0]=2 29385 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [0,1,0,1,0,0|0,0,0]=2 29386 B13R1.560 CCCCCCCSCC1COC1 62a_100000210614_100010264016 [0,1,0,1,0,0|1,0,0]=3 29387 B13R1.560 CCCCCCCSCC1COC1 62a_100010264016_100000210316 [0,1,0,1,0,0|1,0,0]=3 29388 B13R1.560 CCCCCCOCCC1COC1 34a_100009855314_100000210314 [0,1,0,1,0,0|1,0,0]=3 29389 B13R1.560 CCCCCNCCOC1CCC1 34a_100000224656_100000749161 [0,1,0,1,0,0|2,0,0]=4 29390 B13R1.560 CCCCCNCCOC1COC1 34a_100000224656_100009818527 [0,1,0,1,0,0|2,0,0]=4 29391 B13R1.560 CCCCCOCCOC1CCC1 34a_100011215259_100000749161 [0,1,0,1,0,0|2,0,0]=4 29392 B13R1.560 CCCCCOCCOC1COC1 34a_100011215259_100009818527 [0,1,0,1,0,0|2,0,0]=4 29393 B13R1.560 CCCCCOCCOC1COC1 7a_100011215259_100009818527 [0,1,0,1,0,0|2,0,0]=4 29394 B13R1.560 CCCCOCCCNC1CCC1 270004a_200000211371_100000241760 [0,1,0,1,0,0|2,0,0]=4 29395 B13R1.560 CCCCOCCCNC1CCC1 34a_200000211371_100000749161 [0,1,0,1,0,0|2,0,0]=4 29396 B13R1.560 CCCCOCCCNC1COC1 34a_200000211371_100009818527 [0,1,0,1,0,0|2,0,0]=4 29397 B13R1.560 CCCCOCCCOC1CCC1 34a_200011215613_100000749161 [0,1,0,1,0,0|2,0,0]=4 29398 B13R1.560 CCCCOCCCOC1COC1 34a_200011215613_100009818527 [0,1,0,1,0,0|2,0,0]=4 29399 B13R1.560 CCCCOCCCOC1COC1 7a_200011215613_100009818527 [0,1,0,1,0,0|2,0,0]=4 29400 B13R1.560 CCCCOCCNCC1CCC1 2230a_100000738700_100000743108 [0,1,0,1,0,0|2,0,0]=4 29401 B13R1.560 CCCCOCCNCC1CCC1 34a_100000738700_100000743108 [0,1,0,1,0,0|2,0,0]=4 29402 B13R1.560 CCCCOCCNCC1COC1 2230a_100015281925_100000743108 [0,1,0,1,0,0|2,0,0]=4 29403 B13R1.560 CCCCOCCNCC1COC1 34a_100015281925_100000743108 [0,1,0,1,0,0|2,0,0]=4 29404 B13R1.560 CCCCOCCNC[C@@H]1CCO1 2230a_100020831831_100000743108 [0,1,0,1,0,0|1,0,0]=3 29405 B13R1.560 CCCCOCCNC[C@@H]1CCO1 34a_100020831831_100000743108 [0,1,0,1,0,0|1,0,0]=3 29406 B13R1.560 CCCCOCCOCC1CCC1 34a_100000210238_100000763275 [0,1,0,1,0,0|2,0,0]=4 29407 B13R1.560 CCCCOCCOCC1CCC1 34a_100000760304_100000743108 [0,1,0,1,0,0|2,0,0]=4 29408 B13R1.560 CCCCOCCOCC1CCC1 7a_100000210238_100000763275 [0,1,0,1,0,0|2,0,0]=4 29409 B13R1.560 CCCCOCCOCC1CCO1 34a_100000039022_100000743108 [0,1,0,1,0,0|1,0,0]=3 29410 B13R1.560 CCCCOCCOCC1CCO1 34a_100000210238_100000103362 [0,1,0,1,0,0|1,0,0]=3 29411 B13R1.560 CCCCOCCOCC1CCO1 7a_100000210238_100000103362 [0,1,0,1,0,0|1,0,0]=3 29412 B13R1.560 CCCCOCCOCC1COC1 34a_100000060846_100000743108 [0,1,0,1,0,0|2,0,0]=4 29413 B13R1.560 CCCCOCCOCC1COC1 34a_100000210238_100010264016 [0,1,0,1,0,0|2,0,0]=4 29414 B13R1.560 CCCCOCCOCC1COC1 7a_100000210238_100010264016 [0,1,0,1,0,0|2,0,0]=4 29415 B13R1.560 CCCCOCCSCC1CCC1 62a_100000743108_100000763275 [0,1,0,1,0,0|2,0,0]=4 29416 B13R1.560 CCCCOCCSCC1CCC1 62a_100000763275_100000743108 [0,1,0,1,0,0|2,0,0]=4 29417 B13R1.560 CCCCOCCSCC1CCO1 62a_100000103362_100000743108 [0,1,0,1,0,0|1,0,0]=3 29418 B13R1.560 CCCCOCCSCC1CCO1 62a_100000743108_100000103362 [0,1,0,1,0,0|1,0,0]=3 29419 B13R1.560 CCCCOCCSCC1COC1 62a_100000743108_100010264016 [0,1,0,1,0,0|2,0,0]=4 29420 B13R1.560 CCCCOCCSCC1COC1 62a_100010264016_100000743108 [0,1,0,1,0,0|2,0,0]=4 29421 B13R1.560 CCCCOCOCCC1COC1 34a_100009855314_100011995733 [0,1,0,1,0,0|2,0,0]=4 29422 B13R1.560 CCCCSCCNCC1CCC1 2230a_100025743550_100000763275 [0,1,0,1,0,0|2,0,0]=4 29423 B13R1.560 CCCCSCCNCC1CCC1 269862a_100025743550_100000753134 [0,1,0,1,0,0|2,0,0]=4 29424 B13R1.560 CCCCSCCNCC1CCO1 2230a_100025743550_100000103362 [0,1,0,1,0,0|1,0,0]=3 29425 B13R1.560 CCCCSCCNCC1COC1 2230a_100025743550_100010264016 [0,1,0,1,0,0|2,0,0]=4 29426 B13R1.560 CCCCSCCOCC1CCC1 34a_200000230436_100000763275 [0,1,0,1,0,0|2,0,0]=4 29427 B13R1.560 CCCCSCCOCC1CCC1 7a_200000230436_100000763275 [0,1,0,1,0,0|2,0,0]=4 29428 B13R1.560 CCCCSCCOCC1CCO1 34a_200000230436_100000103362 [0,1,0,1,0,0|1,0,0]=3 29429 B13R1.560 CCCCSCCOCC1CCO1 7a_200000230436_100000103362 [0,1,0,1,0,0|1,0,0]=3 29430 B13R1.560 CCCCSCCOCC1COC1 34a_200000230436_100010264016 [0,1,0,1,0,0|2,0,0]=4 29431 B13R1.560 CCCCSCCOCC1COC1 7a_200000230436_100010264016 [0,1,0,1,0,0|2,0,0]=4 29432 B13R1.560 CCCOCCCNCC1CCC1 2230a_100011217757_100000763275 [0,1,0,1,0,0|2,0,0]=4 29433 B13R1.560 CCCOCCCNCC1CCC1 269862a_100011217757_100000753134 [0,1,0,1,0,0|2,0,0]=4 29434 B13R1.560 CCCOCCCNCC1CCC1 34a_100011217757_100000763275 [0,1,0,1,0,0|2,0,0]=4 29435 B13R1.560 CCCOCCCNCC1CCO1 2230a_100011217757_100000103362 [0,1,0,1,0,0|1,0,0]=3 29436 B13R1.560 CCCOCCCNCC1CCO1 34a_100011217757_100000103362 [0,1,0,1,0,0|1,0,0]=3 29437 B13R1.560 CCCOCCCNCC1COC1 2230a_100011217757_100010264016 [0,1,0,1,0,0|2,0,0]=4 29438 B13R1.560 CCCOCCCNCC1COC1 34a_100011217757_100010264016 [0,1,0,1,0,0|2,0,0]=4 29439 B13R1.560 CCCOCCOCCC1COC1 34a_100009855314_100011215938 [0,1,0,1,0,0|2,0,0]=4 29440 B13R1.560 CCOCCCOCCC1COC1 34a_100009855314_100012232248 [0,1,0,1,0,0|2,0,0]=4 29441 B13R1.560 CNCCCCCOCC1CCC1 34a_100000722520_100000763275 [0,1,0,1,0,0|2,0,0]=4 29442 B13R1.560 CNCCCCCOCC1CCO1 34a_100000722520_100000103362 [0,1,0,1,0,0|1,0,0]=3 29443 B13R1.560 CNCCCCCOCC1COC1 34a_100000722520_100010264016 [0,1,0,1,0,0|2,0,0]=4 29444 B13R1.560 CNCCOCCOCC1CCO1 34a_100000228057_100000103362 [0,1,0,1,0,0|2,0,0]=4 29445 B13R1.560 COCCCCCCNC1CCC1 2230a_100000749019_100011998445 [0,1,0,1,0,0|1,0,0]=3 29446 B13R1.560 COCCCCCCNC1CCC1 34a_100000749019_100011998445 [0,1,0,1,0,0|1,0,0]=3 29447 B13R1.560 COCCCCCCNC1COC1 2230a_100016991112_100011998445 [0,1,0,1,0,0|2,0,0]=4 29448 B13R1.560 COCCCCCCOC1CCC1 34a_100000748187_100011998445 [0,1,0,1,0,0|1,0,0]=3 29449 B13R1.560 COCCCCCCOC1CCC1 34a_200012092642_100000749161 [0,1,0,1,0,0|1,0,0]=3 29450 B13R1.560 COCCCCCCOC1COC1 34a_200012092642_100009818527 [0,1,0,1,0,0|2,0,0]=4 29451 B13R1.560 COCCCCCCOC1COC1 7a_200012092642_100009818527 [0,1,0,1,0,0|2,0,0]=4 29452 B13R1.560 COCCCCCCOC1CSC1 7a_100000072292_100011998445 [0,1,0,1,0,0|2,0,0]=4 29453 B13R1.560 COCCCCCCSC1CCC1 62a_100011998445_100000749161 [0,1,0,1,0,0|1,0,0]=3 29454 B13R1.560 COCCCCCCSC1COC1 62a_100011998445_100009818527 [0,1,0,1,0,0|2,0,0]=4 29455 B13R1.560 COCCCCCNCC1CCC1 2230a_100000747528_100000763275 [0,1,0,1,0,0|1,0,0]=3 29456 B13R1.560 COCCCCCNCC1CCC1 269862a_100000747528_100000753134 [0,1,0,1,0,0|1,0,0]=3 29457 B13R1.560 COCCCCCNCC1CCC1 34a_100000747528_100000763275 [0,1,0,1,0,0|1,0,0]=3 29458 B13R1.560 COCCCCCNCC1CCO1 2230a_100000747528_100000103362 [0,1,0,1,0,0|1,0,0]=3 29459 B13R1.560 COCCCCCNCC1CCO1 34a_100000747528_100000103362 [0,1,0,1,0,0|1,0,0]=3 29460 B13R1.560 COCCCCCNCC1COC1 2230a_100000747528_100010264016 [0,1,0,1,0,0|2,0,0]=4 29461 B13R1.560 COCCCCCNCC1COC1 34a_100000747528_100010264016 [0,1,0,1,0,0|2,0,0]=4 29462 B13R1.560 COCCCCOCCC1COC1 34a_100009855314_100000755781 [0,1,0,1,0,0|2,0,0]=4 29463 B13R1.560 COCCOCCCNC1CCC1 2230a_100000749019_100011216529 [0,1,0,1,0,0|2,0,0]=4 29464 B13R1.560 COCCOCCCNC1CCC1 270004a_100000206027_100000241760 [0,1,0,1,0,0|2,0,0]=4 29465 B13R1.560 COCCOCCCNC1CCC1 34a_100000206027_100000749161 [0,1,0,1,0,0|2,0,0]=4 29466 B13R1.560 COCCOCCCNC1CCC1 34a_100000749019_100011216529 [0,1,0,1,0,0|2,0,0]=4 29467 B13R1.560 COCCOCCCOC1CCC1 34a_100000748187_100011216529 [0,1,0,1,0,0|2,0,0]=4 29468 B13R1.560 COCCOCCCSC1CCC1 62a_100011216529_100000749161 [0,1,0,1,0,0|2,0,0]=4 29469 B13R1.560 COCCOCCNCC1CCC1 2230a_100000738700_100000695917 [0,1,0,1,0,0|2,0,0]=4 29470 B13R1.560 COCCOCCNCC1CCC1 2230a_100000745349_100000763275 [0,1,0,1,0,0|2,0,0]=4 29471 B13R1.560 COCCOCCNCC1CCC1 269862a_100000745349_100000753134 [0,1,0,1,0,0|2,0,0]=4 29472 B13R1.560 COCCOCCNCC1CCC1 34a_100000738700_100000695917 [0,1,0,1,0,0|2,0,0]=4 29473 B13R1.560 COCCOCCNCC1CCC1 34a_100000745349_100000763275 [0,1,0,1,0,0|2,0,0]=4 29474 B13R1.560 COCCOCCNCC1CCO1 2230a_100000745349_100000103362 [0,1,0,1,0,0|2,0,0]=4 29475 B13R1.560 COCCOCCNCC1CCO1 34a_100000745349_100000103362 [0,1,0,1,0,0|2,0,0]=4 29476 B13R1.560 COCCOCCNC[C@@H]1CCO1 2230a_100020831831_100000695917 [0,1,0,1,0,0|2,0,0]=4 29477 B13R1.560 COCCOCCNC[C@@H]1CCO1 34a_100020831831_100000695917 [0,1,0,1,0,0|2,0,0]=4 29478 B13R1.560 COCCOCCOCC1CCC1 34a_100000760304_100000695917 [0,1,0,1,0,0|2,0,0]=4 29479 B13R1.560 COCCOCCOCC1CCC1 34a_100011215163_100000763275 [0,1,0,1,0,0|2,0,0]=4 29480 B13R1.560 COCCOCCOCC1CCC1 7a_100011215163_100000763275 [0,1,0,1,0,0|2,0,0]=4 29481 B13R1.560 COCCOCCOCC1CCO1 34a_100000039022_100000695917 [0,1,0,1,0,0|2,0,0]=4 29482 B13R1.560 COCCOCCOCC1CCO1 34a_100011215163_100000103362 [0,1,0,1,0,0|2,0,0]=4 29483 B13R1.560 COCCOCCOCC1CCO1 7a_100011215163_100000103362 [0,1,0,1,0,0|2,0,0]=4 29484 B13R1.560 COCCOCCSCC1CCC1 62a_100000695917_100000763275 [0,1,0,1,0,0|2,0,0]=4 29485 B13R1.560 COCCOCCSCC1CCC1 62a_100000763275_100000695917 [0,1,0,1,0,0|2,0,0]=4 29486 B13R1.560 COCCOCCSCC1CCO1 62a_100000103362_100000695917 [0,1,0,1,0,0|2,0,0]=4 29487 B13R1.560 COCCOCCSCC1CCO1 62a_100000695917_100000103362 [0,1,0,1,0,0|2,0,0]=4 29488 B13R1.560 ClCCCCCCOCC1CCC1 34a_100000766143_100000763275 [0,1,0,1,0,0|1,0,0]=3 29489 B13R1.560 ClCCCCCCOCC1CCC1 7a_100000766143_100000763275 [0,1,0,1,0,0|1,0,0]=3 29490 B13R1.560 ClCCCCCCOCC1CCO1 34a_100000766143_100000103362 [0,1,0,1,0,0|1,0,0]=3 29491 B13R1.560 ClCCCCCCOCC1CCO1 7a_100000766143_100000103362 [0,1,0,1,0,0|1,0,0]=3 29492 B13R1.560 ClCCCCCCOCC1COC1 34a_100000766143_100010264016 [0,1,0,1,0,0|2,0,0]=4 29493 B13R1.560 ClCCCCCCOCC1COC1 7a_100000766143_100010264016 [0,1,0,1,0,0|2,0,0]=4 29494 B13R1.560 FCCCCCCNCC1CCC1 2230a_100000738700_100015922095 [0,1,0,1,0,0|1,0,0]=3 29495 B13R1.560 FCCCCCCNCC1CCC1 34a_100000738700_100015922095 [0,1,0,1,0,0|1,0,0]=3 29496 B13R1.560 FCCCCCCNCC1COC1 2230a_100015281925_100015922095 [0,1,0,1,0,0|2,0,0]=4 29497 B13R1.560 FCCCCCCNCC1COC1 34a_100015281925_100015922095 [0,1,0,1,0,0|2,0,0]=4 29498 B13R1.560 FCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100015922095 [0,1,0,1,0,0|1,0,0]=3 29499 B13R1.560 FCCCCCCNC[C@@H]1CCO1 34a_100020831831_100015922095 [0,1,0,1,0,0|1,0,0]=3 29500 B13R1.560 FCCCCCCOCC1CCC1 34a_100000732779_100000763275 [0,1,0,1,0,0|1,0,0]=3 29501 B13R1.560 FCCCCCCOCC1CCC1 34a_100000760304_100015922095 [0,1,0,1,0,0|1,0,0]=3 29502 B13R1.560 FCCCCCCOCC1CCC1 7a_100000732779_100000763275 [0,1,0,1,0,0|1,0,0]=3 29503 B13R1.560 FCCCCCCOCC1CCO1 34a_100000039022_100015922095 [0,1,0,1,0,0|1,0,0]=3 29504 B13R1.560 FCCCCCCOCC1CCO1 34a_100000732779_100000103362 [0,1,0,1,0,0|1,0,0]=3 29505 B13R1.560 FCCCCCCOCC1CCO1 7a_100000732779_100000103362 [0,1,0,1,0,0|1,0,0]=3 29506 B13R1.560 FCCCCCCOCC1CNC1 34a_100016987283_100015922095 [0,1,0,1,0,0|2,0,0]=4 29507 B13R1.560 FCCCCCCOCC1COC1 34a_100000060846_100015922095 [0,1,0,1,0,0|2,0,0]=4 29508 B13R1.560 FCCCCCCOCC1COC1 34a_100000732779_100010264016 [0,1,0,1,0,0|2,0,0]=4 29509 B13R1.560 FCCCCCCOCC1COC1 7a_100000732779_100010264016 [0,1,0,1,0,0|2,0,0]=4 29510 B13R1.560 FCCCCCCSCC1CCC1 62a_100000763275_100015922095 [0,1,0,1,0,0|1,0,0]=3 29511 B13R1.560 FCCCCCCSCC1CCC1 62a_100015922095_100000763275 [0,1,0,1,0,0|1,0,0]=3 29512 B13R1.560 FCCCCCCSCC1CCO1 62a_100000103362_100015922095 [0,1,0,1,0,0|1,0,0]=3 29513 B13R1.560 FCCCCCCSCC1CCO1 62a_100015922095_100000103362 [0,1,0,1,0,0|1,0,0]=3 29514 B13R1.560 FCCCCCCSCC1COC1 62a_100010264016_100015922095 [0,1,0,1,0,0|2,0,0]=4 29515 B13R1.560 FCCCCCCSCC1COC1 62a_100015922095_100010264016 [0,1,0,1,0,0|2,0,0]=4 29516 B13R1.560 FCCCCCOCCC1COC1 34a_100009855314_100000729378 [0,1,0,1,0,0|2,0,0]=4 29517 B13R1.560 N#CCCCCCCNC1CCC1 2230a_100000749019_100009813337 [0,1,0,1,0,0|1,0,1]=4 29518 B13R1.560 N#CCCCCCCSC1CCC1 62a_100009813337_100000749161 [0,1,0,1,0,0|1,0,1]=4 29519 B13R1.560 N#CCCCCCNCC1CCC1 2230a_100000738700_100009813376 [0,1,0,1,0,0|1,0,1]=4 29520 B13R1.560 N#CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009813376 [0,1,0,1,0,0|1,0,1]=4 29521 B13R1.560 N#CCCCCCSCC1CCC1 62a_100000763275_100009813376 [0,1,0,1,0,0|1,0,1]=4 29522 B13R1.560 N#CCCCCCSCC1CCC1 62a_100009813376_100000763275 [0,1,0,1,0,0|1,0,1]=4 29523 B13R1.560 N#CCCCCCSCC1CCO1 62a_100000103362_100009813376 [0,1,0,1,0,0|1,0,1]=4 29524 B13R1.560 N#CCCCCCSCC1CCO1 62a_100009813376_100000103362 [0,1,0,1,0,0|1,0,1]=4 29525 B13R1.560 NCCCCCCCOC1CCC1 34a_100011996573_100000749161 [0,1,0,1,0,0|1,0,0]=3 29526 B13R1.560 NCCCCCCCOC1COC1 34a_100011996573_100009818527 [0,1,0,1,0,0|2,0,0]=4 29527 B13R1.560 NCCCCCCOCC1CCC1 34a_100000686447_100000763275 [0,1,0,1,0,0|1,0,0]=3 29528 B13R1.560 NCCCCCCOCC1CCO1 34a_100000686447_100000103362 [0,1,0,1,0,0|1,0,0]=3 29529 B13R1.560 NCCCCCCOCC1COC1 34a_100000686447_100010264016 [0,1,0,1,0,0|2,0,0]=4 29530 B13R1.560 NCCCOCCCOC1CCC1 34a_100011310245_100000749161 [0,1,0,1,0,0|2,0,0]=4 29531 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [0,1,0,1,0,0|0,0,2]=4 29532 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [0,1,0,1,0,0|1,0,1]=4 29533 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [0,1,0,1,0,0|0,0,2]=4 29534 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [0,1,0,1,0,0|0,0,2]=4 29535 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [0,1,0,1,0,0|1,0,1]=4 29536 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [0,1,0,1,0,0|1,0,1]=4 29537 B13R1.560 OCCCCC=NNCC1CCC1 4a_200020586977_100000031955 [0,1,0,1,0,0|1,0,1]=4 29538 B13R1.560 OCCCCCCCCN1CCC1 269982a_100000754969_100000033203 [0,1,0,1,0,0|0,0,0]=2 29539 B13R1.560 OCCCCCCCNC1CCC1 2230a_100000749019_100000760002 [0,1,0,1,0,0|0,0,0]=2 29540 B13R1.560 OCCCCCCCNC1CCC1 270004a_100011996573_100000241760 [0,1,0,1,0,0|0,0,0]=2 29541 B13R1.560 OCCCCCCCNC1CCC1 34a_100000749019_100000760002 [0,1,0,1,0,0|0,0,0]=2 29542 B13R1.560 OCCCCCCCNC1CCC1 34a_100011996573_100000749161 [0,1,0,1,0,0|0,0,0]=2 29543 B13R1.560 OCCCCCCCNC1COC1 2230a_100016991112_100000760002 [0,1,0,1,0,0|1,0,0]=3 29544 B13R1.560 OCCCCCCCNC1COC1 34a_100011996573_100009818527 [0,1,0,1,0,0|1,0,0]=3 29545 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [0,1,0,1,0,0|0,0,0]=2 29546 B13R1.560 OCCCCCCCOC1CSC1 7a_100000072292_100000760002 [0,1,0,1,0,0|1,0,0]=3 29547 B13R1.560 OCCCCCCCSC1CCC1 62a_100000760002_100000749161 [0,1,0,1,0,0|0,0,0]=2 29548 B13R1.560 OCCCCCCCSC1COC1 62a_100000760002_100009818527 [0,1,0,1,0,0|1,0,0]=3 29549 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000686447_100000763275 [0,1,0,1,0,0|0,0,0]=2 29550 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000738700_100000766143 [0,1,0,1,0,0|0,0,0]=2 29551 B13R1.560 OCCCCCCNCC1CCC1 269862a_100000686447_100000753134 [0,1,0,1,0,0|0,0,0]=2 29552 B13R1.560 OCCCCCCNCC1CCC1 34a_100000686447_100000763275 [0,1,0,1,0,0|0,0,0]=2 29553 B13R1.560 OCCCCCCNCC1CCC1 34a_100000738700_100000766143 [0,1,0,1,0,0|0,0,0]=2 29554 B13R1.560 OCCCCCCNCC1CCO1 2230a_100000686447_100000103362 [0,1,0,1,0,0|1,0,0]=3 29555 B13R1.560 OCCCCCCNCC1CCO1 34a_100000686447_100000103362 [0,1,0,1,0,0|1,0,0]=3 29556 B13R1.560 OCCCCCCNCC1COC1 2230a_100000686447_100010264016 [0,1,0,1,0,0|1,0,0]=3 29557 B13R1.560 OCCCCCCNCC1COC1 2230a_100015281925_100000766143 [0,1,0,1,0,0|1,0,0]=3 29558 B13R1.560 OCCCCCCNCC1COC1 34a_100000686447_100010264016 [0,1,0,1,0,0|1,0,0]=3 29559 B13R1.560 OCCCCCCNCC1COC1 34a_100015281925_100000766143 [0,1,0,1,0,0|1,0,0]=3 29560 B13R1.560 OCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000766143 [0,1,0,1,0,0|1,0,0]=3 29561 B13R1.560 OCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000766143 [0,1,0,1,0,0|1,0,0]=3 29562 B13R1.560 OCCCCCCOCC1CCC1 34a_100000760304_100000766143 [0,1,0,1,0,0|0,0,0]=2 29563 B13R1.560 OCCCCCCOCC1CCO1 34a_100000039022_100000766143 [0,1,0,1,0,0|1,0,0]=3 29564 B13R1.560 OCCCCCCOCC1CNC1 34a_100016987283_100000766143 [0,1,0,1,0,0|1,0,0]=3 29565 B13R1.560 OCCCCCCOCC1COC1 34a_100000060846_100000766143 [0,1,0,1,0,0|1,0,0]=3 29566 B13R1.560 OCCCCCCSCC1CCC1 62a_100000763275_100000766143 [0,1,0,1,0,0|0,0,0]=2 29567 B13R1.560 OCCCCCCSCC1CCC1 62a_100000766143_100000763275 [0,1,0,1,0,0|0,0,0]=2 29568 B13R1.560 OCCCCCCSCC1CCO1 62a_100000103362_100000766143 [0,1,0,1,0,0|1,0,0]=3 29569 B13R1.560 OCCCCCCSCC1CCO1 62a_100000766143_100000103362 [0,1,0,1,0,0|1,0,0]=3 29570 B13R1.560 OCCCCCCSCC1COC1 62a_100000766143_100010264016 [0,1,0,1,0,0|1,0,0]=3 29571 B13R1.560 OCCCCCCSCC1COC1 62a_100010264016_100000766143 [0,1,0,1,0,0|1,0,0]=3 29572 B13R1.560 OCCCCCOCCC1COC1 34a_100009855314_100000746330 [0,1,0,1,0,0|1,0,0]=3 29573 B13R1.560 OCCCOCCCNC1CCC1 270004a_100011310245_100000241760 [0,1,0,1,0,0|1,0,0]=3 29574 B13R1.560 OCCCOCCCNC1CCC1 34a_100011310245_100000749161 [0,1,0,1,0,0|1,0,0]=3 29575 B13R1.560 OCCCOCCCNC1COC1 34a_100011310245_100009818527 [0,1,0,1,0,0|2,0,0]=4 29576 B13R1.560 OCCOCCOCCC1COC1 34a_100009855314_100000692535 [0,1,0,1,0,0|2,0,0]=4 29577 B13R1.560 OCCOCCOCCN1CCC1 269982a_100000754969_100000032323 [0,1,0,1,0,0|2,0,0]=4 29578 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [0,1,0,1,0,0|1,0,1]=4 29579 B13R1.579 CCCCC1C=CCN1CCCO 2230a_100015184376_100000230001 [0,1,0,1,0,0|0,0,2]=4 29580 B13R1.579 CCCCC1C=CCN1CCCO 269982a_100015184376_100011215043 [0,1,0,1,0,0|0,0,2]=4 29581 B13R1.579 CCCCC1C=CCN1CCCO 34a_100015184376_100000230001 [0,1,0,1,0,0|0,0,2]=4 29582 B13R1.579 CCCCC1CCCC1NCCC 269862a_100020643023_100000750825 [0,1,0,1,0,0|1,0,0]=3 29583 B13R1.579 CCCCC1CCCC1NCCC 270004a_100020643023_100000750825 [0,1,0,1,0,0|1,0,0]=3 29584 B13R1.579 CCCCC1CCCC1NCCF 269862a_100000724931_100000750825 [0,1,0,1,0,0|1,0,0]=3 29585 B13R1.579 CCCCC1CCCC1NCCO 269862a_100000210304_100000750825 [0,1,0,1,0,0|0,0,0]=2 29586 B13R1.579 CCCCC1CCCC1NCCO 270004a_100000210304_100000750825 [0,1,0,1,0,0|0,0,0]=2 29587 B13R1.579 CCCNC1CCCC1CCC#N 270004a_100020643023_100000073560 [0,1,0,1,0,0|1,0,1]=4 29588 B13R1.579 N#CCCC1CCCC1NCCO 270004a_100000210304_100000073560 [0,1,0,1,0,0|1,0,1]=4 29589 B13R1.659 BrCCCCCCCCOC1CC1 34a_100009813846_100000211595 [0,1,0,1,0,0|1,0,0]=3 29590 B13R1.659 BrCCCCCCCOCC1CC1 34a_100000760002_100000742324 [0,1,0,1,0,0|1,0,0]=3 29591 B13R1.659 BrCCCCCCCOCC1CC1 7a_100000760002_100000742324 [0,1,0,1,0,0|1,0,0]=3 29592 B13R1.659 BrCCCCCCCOCC1CO1 34a_100000760002_102125554688 [0,1,0,1,0,0|1,0,0]=3 29593 B13R1.659 BrCCCCCCCOCC1CO1 7a_100000760002_102125554688 [0,1,0,1,0,0|1,0,0]=3 29594 B13R1.659 BrCCCCCCCOCC1CS1 7a_100000760002_100000031435 [0,1,0,1,0,0|1,1,0]=4 29595 B13R1.659 BrCCCCCCCOC[C@@H]1CO1 7a_100000760002_100000745022 [0,1,0,1,0,0|1,0,0]=3 29596 B13R1.659 BrCCCCCCOCCC1CC1 34a_100011215345_100000694398 [0,1,0,1,0,0|1,0,0]=3 29597 B13R1.659 BrCCCCCCOCCC1CC1 7a_100011215345_100000764125 [0,1,0,1,0,0|1,0,0]=3 29598 B13R1.659 BrCCCCCCOCCC1CO1 34a_100011215345_100000732470 [0,1,0,1,0,0|1,0,0]=3 29599 B13R1.659 BrCCCCCCOCCC1CO1 7a_100011215345_100000732470 [0,1,0,1,0,0|1,0,0]=3 29600 B13R1.659 BrCCCCCOCCCC1CO1 34a_100000746331_100000733510 [0,1,0,1,0,0|1,0,0]=3 29601 B13R1.659 BrCCCCCOCCCC1CO1 7a_100000746331_100000733510 [0,1,0,1,0,0|1,0,0]=3 29602 B13R1.659 BrCCOCCOCCCC1CO1 34a_100000692535_100000733510 [0,1,0,1,0,0|2,0,0]=4 29603 B13R1.659 BrCCOCCOCCCC1CO1 7a_100000692535_100000733510 [0,1,0,1,0,0|2,0,0]=4 29604 B13R1.659 C#CCCCCCCCNC1CC1 34a_100000212008_100153394163 [0,1,0,1,0,0|1,0,1]=4 29605 B13R1.659 C#CCCCCCCCOC1CC1 34a_100000054614_100000211595 [0,1,0,1,0,0|1,0,1]=4 29606 B13R1.659 C#CCCCCCCCSC1CC1 62a_100153394163_100000211595 [0,1,0,1,0,0|1,0,1]=4 29607 B13R1.659 C#CCCCCCCNCC1CC1 2230a_100000735609_100012276617 [0,1,0,1,0,0|1,0,1]=4 29608 B13R1.659 C#CCCCCCCNCC1CC1 34a_100000735609_100012276617 [0,1,0,1,0,0|1,0,1]=4 29609 B13R1.659 C#CCCCCCCOCC1CC1 34a_100000211283_100012276617 [0,1,0,1,0,0|1,0,1]=4 29610 B13R1.659 C#CCCCCCCOCC1CC1 34a_100011217361_100000742324 [0,1,0,1,0,0|1,0,1]=4 29611 B13R1.659 C#CCCCCCCOCC1CC1 7a_100011217361_100000742324 [0,1,0,1,0,0|1,0,1]=4 29612 B13R1.659 C#CCCCCCCOCC1CO1 34a_100011217361_102125554688 [0,1,0,1,0,0|0,0,2]=4 29613 B13R1.659 C#CCCCCCCOCC1CO1 7a_100011217361_102125554688 [0,1,0,1,0,0|0,0,2]=4 29614 B13R1.659 C#CCCCCCCOC[C@@H]1CO1 34a_100000757423_100012276617 [0,1,0,1,0,0|0,0,2]=4 29615 B13R1.659 C#CCCCCCCOC[C@@H]1CO1 7a_100011217361_100000745022 [0,1,0,1,0,0|0,0,2]=4 29616 B13R1.659 C#CCCCCCCSCC1CC1 62a_100000756562_100012276617 [0,1,0,1,0,0|1,0,1]=4 29617 B13R1.659 C#CCCCCCCSCC1CC1 62a_100012276617_100000742324 [0,1,0,1,0,0|1,0,1]=4 29618 B13R1.659 C#CCCCCCCSCC1CO1 62a_100012276617_102125554688 [0,1,0,1,0,0|0,0,2]=4 29619 B13R1.659 C#CCCCCCCSCC1CO1 62a_102125554688_100012276617 [0,1,0,1,0,0|0,0,2]=4 29620 B13R1.659 C#CCCCCCCSC[C@@H]1CO1 62a_100000745022_100012276617 [0,1,0,1,0,0|0,0,2]=4 29621 B13R1.659 C#CCCCCCCSC[C@@H]1CO1 62a_100012276617_100000745022 [0,1,0,1,0,0|0,0,2]=4 29622 B13R1.659 C#CCCCCCNCCC1CC1 34a_100000764129_100012094781 [0,1,0,1,0,0|1,0,1]=4 29623 B13R1.659 C#CCCCCCOCCC1CC1 34a_100000754188_100012094781 [0,1,0,1,0,0|1,0,1]=4 29624 B13R1.659 C#CCCCCCOCCC1CC1 34a_100000766912_100000694398 [0,1,0,1,0,0|1,0,1]=4 29625 B13R1.659 C#CCCCCCOCCC1CC1 7a_100000754188_100012094781 [0,1,0,1,0,0|1,0,1]=4 29626 B13R1.659 C#CCCCCCOCCC1CC1 7a_100000766912_100000764125 [0,1,0,1,0,0|1,0,1]=4 29627 B13R1.659 C#CCCCCCOCCC1CO1 34a_100000766912_100000732470 [0,1,0,1,0,0|0,0,2]=4 29628 B13R1.659 C#CCCCCCOCCC1CO1 7a_100000766912_100000732470 [0,1,0,1,0,0|0,0,2]=4 29629 B13R1.659 C#CCCCCCOCC[C@@H]1CO1 34a_100009820653_100012094781 [0,1,0,1,0,0|0,0,2]=4 29630 B13R1.659 C#CCCCCCSCCC1CC1 62a_100000764125_100012094781 [0,1,0,1,0,0|1,0,1]=4 29631 B13R1.659 C#CCCCCCSCCC1CC1 62a_100012094781_100000764125 [0,1,0,1,0,0|1,0,1]=4 29632 B13R1.659 C#CCCCCCSCCC1CO1 62a_100000732470_100012094781 [0,1,0,1,0,0|0,0,2]=4 29633 B13R1.659 C#CCCCCCSCCC1CO1 62a_100012094781_100000732470 [0,1,0,1,0,0|0,0,2]=4 29634 B13R1.659 C#CCCCCNCCCC1CO1 2230a_100000706060_100000733510 [0,1,0,1,0,0|0,0,2]=4 29635 B13R1.659 C#CCCCCNCCCC1CO1 34a_100000706060_100000733510 [0,1,0,1,0,0|0,0,2]=4 29636 B13R1.659 C#CCCCCOCCCC1CO1 34a_100000766709_100000733510 [0,1,0,1,0,0|0,0,2]=4 29637 B13R1.659 C#CCCCCOCCCC1CO1 7a_100000766709_100000733510 [0,1,0,1,0,0|0,0,2]=4 29638 B13R1.659 C#CCCCCSCCCC1CO1 62a_100000733510_100010269958 [0,1,0,1,0,0|0,0,2]=4 29639 B13R1.659 C#CCCCCSCCCC1CO1 62a_100010269958_100000733510 [0,1,0,1,0,0|0,0,2]=4 29640 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [0,1,0,1,0,0|1,0,1]=4 29641 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [0,1,0,1,0,0|1,0,1]=4 29642 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [0,1,0,1,0,0|1,0,1]=4 29643 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [0,1,0,1,0,0|1,0,1]=4 29644 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [0,1,0,1,0,0|1,0,1]=4 29645 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [0,1,0,1,0,0|1,0,1]=4 29646 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [0,1,0,1,0,0|1,0,1]=4 29647 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [0,1,0,1,0,0|1,0,1]=4 29648 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [0,1,0,1,0,0|0,0,2]=4 29649 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [0,1,0,1,0,0|0,0,2]=4 29650 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [0,1,0,1,0,0|0,0,2]=4 29651 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [0,1,0,1,0,0|0,0,2]=4 29652 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [0,1,0,1,0,0|1,0,1]=4 29653 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [0,1,0,1,0,0|1,0,1]=4 29654 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [0,1,0,1,0,0|0,0,2]=4 29655 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [0,1,0,1,0,0|0,0,2]=4 29656 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [0,1,0,1,0,0|0,0,2]=4 29657 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [0,1,0,1,0,0|0,0,2]=4 29658 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [0,1,0,1,0,0|1,0,1]=4 29659 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [0,1,0,1,0,0|1,0,1]=4 29660 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [0,1,0,1,0,0|1,0,1]=4 29661 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [0,1,0,1,0,0|1,0,1]=4 29662 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [0,1,0,1,0,0|1,0,1]=4 29663 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [0,1,0,1,0,0|0,0,2]=4 29664 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [0,1,0,1,0,0|0,0,2]=4 29665 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [0,1,0,1,0,0|0,0,2]=4 29666 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [0,1,0,1,0,0|1,0,1]=4 29667 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [0,1,0,1,0,0|1,0,1]=4 29668 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [0,1,0,1,0,0|0,0,2]=4 29669 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [0,1,0,1,0,0|0,0,2]=4 29670 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [0,1,0,1,0,0|0,0,2]=4 29671 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [0,1,0,1,0,0|0,0,2]=4 29672 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [0,1,0,1,0,0|0,0,2]=4 29673 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [0,1,0,1,0,0|0,0,2]=4 29674 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [0,1,0,1,0,0|0,0,2]=4 29675 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [0,1,0,1,0,0|0,0,2]=4 29676 B13R1.659 CC/C=C/CCCOCCC1CO1 34a_100016287902_100000732470 [0,1,0,1,0,0|0,0,2]=4 29677 B13R1.659 CC/C=C/CCCOCCC1CO1 7a_100016287902_100000732470 [0,1,0,1,0,0|0,0,2]=4 29678 B13R1.659 CC/C=C\CCCCOCC1CO1 34a_100016287862_102125554688 [0,1,0,1,0,0|0,0,2]=4 29679 B13R1.659 CC/C=C\CCCCOCC1CO1 7a_100016287862_102125554688 [0,1,0,1,0,0|0,0,2]=4 29680 B13R1.659 CC/C=C\CCCCOC[C@@H]1CO1 7a_100016287862_100000745022 [0,1,0,1,0,0|0,0,2]=4 29681 B13R1.659 CC/C=C\CCOCCCC1CO1 34a_100016288707_100000733510 [0,1,0,1,0,0|0,0,2]=4 29682 B13R1.659 CC/C=C\CCOCCCC1CO1 7a_100016288707_100000733510 [0,1,0,1,0,0|0,0,2]=4 29683 B13R1.659 CC/C=C\CCSCCCC1CO1 62a_100000733510_100015370543 [0,1,0,1,0,0|0,0,2]=4 29684 B13R1.659 CC/C=C\CCSCCCC1CO1 62a_100015370543_100000733510 [0,1,0,1,0,0|0,0,2]=4 29685 B13R1.659 CC=CCCCOCCCC1CO1 34a_100020645299_100000733510 [0,1,0,1,0,0|0,0,2]=4 29686 B13R1.659 CCC#CCCOCCCC1CO1 34a_100000036655_100000733510 [0,1,0,1,0,0|0,0,2]=4 29687 B13R1.659 CCC#CCCOCCCC1CO1 7a_100000036655_100000733510 [0,1,0,1,0,0|0,0,2]=4 29688 B13R1.659 CCC/C=C/COCCCC1CO1 34a_100016278788_100000733510 [0,1,0,1,0,0|0,0,2]=4 29689 B13R1.659 CCC/C=C/COCCCC1CO1 7a_100016278788_100000733510 [0,1,0,1,0,0|0,0,2]=4 29690 B13R1.659 CCCC#CCCOCCC1CO1 34a_100000042726_100000732470 [0,1,0,1,0,0|0,0,2]=4 29691 B13R1.659 CCCC#CCCOCCC1CO1 7a_100000042726_100000732470 [0,1,0,1,0,0|0,0,2]=4 29692 B13R1.659 CCCC#CCOCCCC1CO1 34a_100000034806_100000733510 [0,1,0,1,0,0|0,0,2]=4 29693 B13R1.659 CCCC#CCOCCCC1CO1 7a_100000034806_100000733510 [0,1,0,1,0,0|0,0,2]=4 29694 B13R1.659 CCCC/C=C/COCCC1CO1 34a_200016272032_100000732470 [0,1,0,1,0,0|0,0,2]=4 29695 B13R1.659 CCCC/C=C/COCCC1CO1 7a_200016272032_100000732470 [0,1,0,1,0,0|0,0,2]=4 29696 B13R1.659 CCCC/C=C\CCOCC1CO1 34a_200016286491_102125554688 [0,1,0,1,0,0|0,0,2]=4 29697 B13R1.659 CCCC/C=C\CCOCC1CO1 7a_200016286491_102125554688 [0,1,0,1,0,0|0,0,2]=4 29698 B13R1.659 CCCC/C=C\CCOC[C@@H]1CO1 7a_200016286491_100000745022 [0,1,0,1,0,0|0,0,2]=4 29699 B13R1.659 CCCCC#CCCOCC1CO1 34a_100000037610_102125554688 [0,1,0,1,0,0|0,0,2]=4 29700 B13R1.659 CCCCC#CCCOCC1CO1 7a_100000037610_102125554688 [0,1,0,1,0,0|0,0,2]=4 29701 B13R1.659 CCCCC#CCCOC[C@@H]1CO1 7a_100000037610_100000745022 [0,1,0,1,0,0|0,0,2]=4 29702 B13R1.659 CCCCC#CCOCCC1CO1 34a_200000034558_100000732470 [0,1,0,1,0,0|0,0,2]=4 29703 B13R1.659 CCCCC#CCOCCC1CO1 7a_200000034558_100000732470 [0,1,0,1,0,0|0,0,2]=4 29704 B13R1.659 CCCCC/C=C/COCC1CO1 34a_100016258190_102125554688 [0,1,0,1,0,0|0,0,2]=4 29705 B13R1.659 CCCCC/C=C/COCC1CO1 7a_100016258190_102125554688 [0,1,0,1,0,0|0,0,2]=4 29706 B13R1.659 CCCCC/C=C/COC[C@@H]1CO1 7a_100016258190_100000745022 [0,1,0,1,0,0|0,0,2]=4 29707 B13R1.659 CCCCCC#CCOCC1CO1 34a_200000033628_102125554688 [0,1,0,1,0,0|0,0,2]=4 29708 B13R1.659 CCCCCC#CCOCC1CO1 7a_200000033628_102125554688 [0,1,0,1,0,0|0,0,2]=4 29709 B13R1.659 CCCCCC#CCOC[C@@H]1CO1 34a_100000757423_100009816472 [0,1,0,1,0,0|0,0,2]=4 29710 B13R1.659 CCCCCC#CCOC[C@@H]1CO1 7a_200000033628_100000745022 [0,1,0,1,0,0|0,0,2]=4 29711 B13R1.659 CCCCCC#CCSCC1CO1 62a_100009816472_102125554688 [0,1,0,1,0,0|0,0,2]=4 29712 B13R1.659 CCCCCC#CCSCC1CO1 62a_102125554688_100009816472 [0,1,0,1,0,0|0,0,2]=4 29713 B13R1.659 CCCCCC#CCSC[C@@H]1CO1 62a_100000745022_100009816472 [0,1,0,1,0,0|0,0,2]=4 29714 B13R1.659 CCCCCC#CCSC[C@@H]1CO1 62a_100009816472_100000745022 [0,1,0,1,0,0|0,0,2]=4 29715 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212008_100011214924 [0,1,0,1,0,0|1,0,0]=3 29716 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212291_100000211595 [0,1,0,1,0,0|1,0,0]=3 29717 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [0,1,0,1,0,0|1,0,0]=3 29718 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000229939_100000742324 [0,1,0,1,0,0|1,0,0]=3 29719 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000735609_100000210759 [0,1,0,1,0,0|1,0,0]=3 29720 B13R1.659 CCCCCCCCNCC1CC1 269862a_100000229939_100000741477 [0,1,0,1,0,0|1,0,0]=3 29721 B13R1.659 CCCCCCCCNCC1CC1 34a_100000229939_100000742324 [0,1,0,1,0,0|1,0,0]=3 29722 B13R1.659 CCCCCCCCNCC1CC1 34a_100000735609_100000210759 [0,1,0,1,0,0|1,0,0]=3 29723 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,1,0,1,0,0|0,0,0]=2 29724 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,1,0,1,0,0|0,0,0]=2 29725 B13R1.659 CCCCCCCCOCC1CC1 34a_100000210232_100000742324 [0,1,0,1,0,0|1,0,0]=3 29726 B13R1.659 CCCCCCCCOCC1CC1 34a_100000211283_100000210759 [0,1,0,1,0,0|1,0,0]=3 29727 B13R1.659 CCCCCCCCOCC1CC1 7a_100000210232_100000742324 [0,1,0,1,0,0|1,0,0]=3 29728 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|0,0,0]=2 29729 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|0,0,0]=2 29730 B13R1.659 CCCCCCCCOCC1CS1 7a_100000210232_100000031435 [0,1,0,1,0,0|0,1,0]=3 29731 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|0,0,0]=2 29732 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|0,0,0]=2 29733 B13R1.659 CCCCCCCCSCC1CC1 62a_100000210759_100000742324 [0,1,0,1,0,0|1,0,0]=3 29734 B13R1.659 CCCCCCCCSCC1CC1 62a_100000756562_100000210317 [0,1,0,1,0,0|1,0,0]=3 29735 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,1,0,1,0,0|0,0,0]=2 29736 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,1,0,1,0,0|0,0,0]=2 29737 B13R1.659 CCCCCCCCSCC1CS1 62a_100000031435_100000210317 [0,1,0,1,0,0|0,1,0]=3 29738 B13R1.659 CCCCCCCCSCC1CS1 62a_100000210759_100000031435 [0,1,0,1,0,0|0,1,0]=3 29739 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,1,0,1,0,0|0,0,0]=2 29740 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,1,0,1,0,0|0,0,0]=2 29741 B13R1.659 CCCCCCCNCCC1CC1 2230a_100000229938_100000694398 [0,1,0,1,0,0|1,0,0]=3 29742 B13R1.659 CCCCCCCNCCC1CC1 34a_100000764129_100000210614 [0,1,0,1,0,0|1,0,0]=3 29743 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,1,0,1,0,0|0,0,0]=2 29744 B13R1.659 CCCCCCCOCCC1CC1 34a_100000210272_100000694398 [0,1,0,1,0,0|1,0,0]=3 29745 B13R1.659 CCCCCCCOCCC1CC1 34a_100000754188_100000210614 [0,1,0,1,0,0|1,0,0]=3 29746 B13R1.659 CCCCCCCOCCC1CC1 7a_100000210272_100000764125 [0,1,0,1,0,0|1,0,0]=3 29747 B13R1.659 CCCCCCCOCCC1CC1 7a_100000754188_100000210614 [0,1,0,1,0,0|1,0,0]=3 29748 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,1,0,1,0,0|0,0,0]=2 29749 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,1,0,1,0,0|0,0,0]=2 29750 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,1,0,1,0,0|0,0,0]=2 29751 B13R1.659 CCCCCCCSCCC1CC1 62a_100000210614_100000764125 [0,1,0,1,0,0|1,0,0]=3 29752 B13R1.659 CCCCCCCSCCC1CC1 62a_100000764125_100000210316 [0,1,0,1,0,0|1,0,0]=3 29753 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,1,0,1,0,0|0,0,0]=2 29754 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,1,0,1,0,0|0,0,0]=2 29755 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,1,0,1,0,0|0,0,0]=2 29756 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,1,0,1,0,0|0,0,0]=2 29757 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,1,0,1,0,0|0,0,0]=2 29758 B13R1.659 CCCCCCOCCNC1CC1 34a_100000738766_100000210314 [0,1,0,1,0,0|2,0,0]=4 29759 B13R1.659 CCCCCCOCCOC1CC1 34a_100000691444_100000211595 [0,1,0,1,0,0|2,0,0]=4 29760 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,1,0,1,0,0|0,0,0]=2 29761 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,1,0,1,0,0|0,0,0]=2 29762 B13R1.659 CCCCCNCCOCC1CC1 34a_100000224656_100000742324 [0,1,0,1,0,0|2,0,0]=4 29763 B13R1.659 CCCCCNCCOCC1CO1 34a_100000224656_102125554688 [0,1,0,1,0,0|1,0,0]=3 29764 B13R1.659 CCCCCOCCOCC1CC1 34a_100011215259_100000742324 [0,1,0,1,0,0|2,0,0]=4 29765 B13R1.659 CCCCCOCCOCC1CC1 7a_100011215259_100000742324 [0,1,0,1,0,0|2,0,0]=4 29766 B13R1.659 CCCCCOCCOCC1CO1 34a_100011215259_102125554688 [0,1,0,1,0,0|1,0,0]=3 29767 B13R1.659 CCCCCOCCOCC1CO1 7a_100011215259_102125554688 [0,1,0,1,0,0|1,0,0]=3 29768 B13R1.659 CCCCCOCCOCC1CS1 7a_100011215259_100000031435 [0,1,0,1,0,0|1,1,0]=4 29769 B13R1.659 CCCCCOCCOC[C@@H]1CO1 7a_100011215259_100000745022 [0,1,0,1,0,0|1,0,0]=3 29770 B13R1.659 CCCCNCCCCOC1CC1 34a_200011216965_100000211595 [0,1,0,1,0,0|2,0,0]=4 29771 B13R1.659 CCCCOCCCCOC1CC1 34a_200000760531_100000211595 [0,1,0,1,0,0|2,0,0]=4 29772 B13R1.659 CCCCOCCCNCC1CC1 2230a_200000211371_100000742324 [0,1,0,1,0,0|2,0,0]=4 29773 B13R1.659 CCCCOCCCNCC1CC1 269862a_200000211371_100000741477 [0,1,0,1,0,0|2,0,0]=4 29774 B13R1.659 CCCCOCCCNCC1CC1 34a_200000211371_100000742324 [0,1,0,1,0,0|2,0,0]=4 29775 B13R1.659 CCCCOCCCNCC1CO1 2230a_200000211371_100011216344 [0,1,0,1,0,0|1,0,0]=3 29776 B13R1.659 CCCCOCCCNCC1CO1 34a_200000211371_102125554688 [0,1,0,1,0,0|1,0,0]=3 29777 B13R1.659 CCCCOCCCOCC1CC1 34a_200011215613_100000742324 [0,1,0,1,0,0|2,0,0]=4 29778 B13R1.659 CCCCOCCCOCC1CC1 7a_200011215613_100000742324 [0,1,0,1,0,0|2,0,0]=4 29779 B13R1.659 CCCCOCCCOCC1CO1 34a_200011215613_102125554688 [0,1,0,1,0,0|1,0,0]=3 29780 B13R1.659 CCCCOCCCOCC1CO1 7a_200011215613_102125554688 [0,1,0,1,0,0|1,0,0]=3 29781 B13R1.659 CCCCOCCCOCC1CS1 7a_200011215613_100000031435 [0,1,0,1,0,0|1,1,0]=4 29782 B13R1.659 CCCCOCCCOC[C@@H]1CO1 7a_200011215613_100000745022 [0,1,0,1,0,0|1,0,0]=3 29783 B13R1.659 CCCCOCCNCCC1CC1 34a_100000764129_100000743108 [0,1,0,1,0,0|2,0,0]=4 29784 B13R1.659 CCCCOCCOCCC1CC1 34a_100000210238_100000694398 [0,1,0,1,0,0|2,0,0]=4 29785 B13R1.659 CCCCOCCOCCC1CC1 34a_100000754188_100000743108 [0,1,0,1,0,0|2,0,0]=4 29786 B13R1.659 CCCCOCCOCCC1CC1 7a_100000210238_100000764125 [0,1,0,1,0,0|2,0,0]=4 29787 B13R1.659 CCCCOCCOCCC1CC1 7a_100000754188_100000743108 [0,1,0,1,0,0|2,0,0]=4 29788 B13R1.659 CCCCOCCOCCC1CO1 34a_100000210238_100000732470 [0,1,0,1,0,0|1,0,0]=3 29789 B13R1.659 CCCCOCCOCCC1CO1 7a_100000210238_100000732470 [0,1,0,1,0,0|1,0,0]=3 29790 B13R1.659 CCCCOCCOCC[C@@H]1CO1 34a_100009820653_100000743108 [0,1,0,1,0,0|1,0,0]=3 29791 B13R1.659 CCCCOCCSCCC1CC1 62a_100000743108_100000764125 [0,1,0,1,0,0|2,0,0]=4 29792 B13R1.659 CCCCOCCSCCC1CC1 62a_100000764125_100000743108 [0,1,0,1,0,0|2,0,0]=4 29793 B13R1.659 CCCCOCCSCCC1CO1 62a_100000732470_100000743108 [0,1,0,1,0,0|1,0,0]=3 29794 B13R1.659 CCCCOCCSCCC1CO1 62a_100000743108_100000732470 [0,1,0,1,0,0|1,0,0]=3 29795 B13R1.659 CCCCOCSCCCC1CO1 62a_100000733510_100011995733 [0,1,0,1,0,0|1,0,0]=3 29796 B13R1.659 CCCCOCSCCCC1CO1 62a_100011995733_100000733510 [0,1,0,1,0,0|1,0,0]=3 29797 B13R1.659 CCCCSCCNCCC1CC1 2230a_100025743550_100000694398 [0,1,0,1,0,0|2,0,0]=4 29798 B13R1.659 CCCCSCCNCCC1CO1 2230a_100025743550_100000732470 [0,1,0,1,0,0|1,0,0]=3 29799 B13R1.659 CCCCSCCOCCC1CC1 34a_200000230436_100000694398 [0,1,0,1,0,0|2,0,0]=4 29800 B13R1.659 CCCCSCCOCCC1CC1 7a_200000230436_100000764125 [0,1,0,1,0,0|2,0,0]=4 29801 B13R1.659 CCCCSCCOCCC1CO1 34a_200000230436_100000732470 [0,1,0,1,0,0|1,0,0]=3 29802 B13R1.659 CCCCSCCOCCC1CO1 7a_200000230436_100000732470 [0,1,0,1,0,0|1,0,0]=3 29803 B13R1.659 CCCOCCCCOCC1CO1 34a_100010889290_100000210303 [0,1,0,1,0,0|1,0,0]=3 29804 B13R1.659 CCCOCCCCOCC1CO1 7a_100010889290_100000210303 [0,1,0,1,0,0|1,0,0]=3 29805 B13R1.659 CCCOCCCNCCC1CC1 2230a_100011217757_100000694398 [0,1,0,1,0,0|2,0,0]=4 29806 B13R1.659 CCCOCCCNCCC1CC1 34a_100011217757_100000694398 [0,1,0,1,0,0|2,0,0]=4 29807 B13R1.659 CCCOCCCNCCC1CO1 2230a_100011217757_100000732470 [0,1,0,1,0,0|1,0,0]=3 29808 B13R1.659 CCCOCCCNCCC1CO1 34a_100011217757_100000732470 [0,1,0,1,0,0|1,0,0]=3 29809 B13R1.659 CCCOCCNCCCC1CO1 2230a_100161115042_100000733510 [0,1,0,1,0,0|1,0,0]=3 29810 B13R1.659 CCCOCCNCCCC1CO1 34a_100161115042_100000733510 [0,1,0,1,0,0|1,0,0]=3 29811 B13R1.659 CCCOCCOCCCC1CO1 34a_100000752267_100000733510 [0,1,0,1,0,0|1,0,0]=3 29812 B13R1.659 CCCOCCOCCCC1CO1 7a_100000752267_100000733510 [0,1,0,1,0,0|1,0,0]=3 29813 B13R1.659 CCCOCCSCCCC1CO1 62a_100000733510_100011215938 [0,1,0,1,0,0|1,0,0]=3 29814 B13R1.659 CCCOCCSCCCC1CO1 62a_100011215938_100000733510 [0,1,0,1,0,0|1,0,0]=3 29815 B13R1.659 CCCSCCNCCCC1CO1 2230a_100020603323_100000733510 [0,1,0,1,0,0|1,0,0]=3 29816 B13R1.659 CCCSCCOCCCC1CO1 34a_200000230433_100000733510 [0,1,0,1,0,0|1,0,0]=3 29817 B13R1.659 CCCSCCOCCCC1CO1 7a_200000230433_100000733510 [0,1,0,1,0,0|1,0,0]=3 29818 B13R1.659 CCOCCCNCCCC1CO1 2230a_100000210961_100000733510 [0,1,0,1,0,0|1,0,0]=3 29819 B13R1.659 CCOCCCNCCCC1CO1 34a_100000210961_100000733510 [0,1,0,1,0,0|1,0,0]=3 29820 B13R1.659 CCOCCCOCCCC1CO1 34a_100000757476_100000733510 [0,1,0,1,0,0|1,0,0]=3 29821 B13R1.659 CCOCCCOCCCC1CO1 7a_100000757476_100000733510 [0,1,0,1,0,0|1,0,0]=3 29822 B13R1.659 CCOCCCSCCCC1CO1 62a_100000733510_100012232248 [0,1,0,1,0,0|1,0,0]=3 29823 B13R1.659 CCOCCCSCCCC1CO1 62a_100012232248_100000733510 [0,1,0,1,0,0|1,0,0]=3 29824 B13R1.659 CCOCCOCCNCC1CO1 2230a_100102712874_100011216344 [0,1,0,1,0,0|2,0,0]=4 29825 B13R1.659 CCOCCOCCNCC1CO1 34a_100102712874_102125554688 [0,1,0,1,0,0|2,0,0]=4 29826 B13R1.659 CCOCCOCCOCC1CO1 34a_100000210240_102125554688 [0,1,0,1,0,0|2,0,0]=4 29827 B13R1.659 CCOCCOCCOCC1CO1 7a_100000210240_102125554688 [0,1,0,1,0,0|2,0,0]=4 29828 B13R1.659 CCOCCOCCOC[C@@H]1CO1 34a_100000757423_100011211534 [0,1,0,1,0,0|2,0,0]=4 29829 B13R1.659 CCOCCOCCOC[C@@H]1CO1 7a_100000210240_100000745022 [0,1,0,1,0,0|2,0,0]=4 29830 B13R1.659 CCOCCOCCSCC1CO1 62a_100011211534_102125554688 [0,1,0,1,0,0|2,0,0]=4 29831 B13R1.659 CCOCCOCCSCC1CO1 62a_102125554688_100011211534 [0,1,0,1,0,0|2,0,0]=4 29832 B13R1.659 CCOCCOCCSC[C@@H]1CO1 62a_100000745022_100011211534 [0,1,0,1,0,0|2,0,0]=4 29833 B13R1.659 CCOCCOCCSC[C@@H]1CO1 62a_100011211534_100000745022 [0,1,0,1,0,0|2,0,0]=4 29834 B13R1.659 CCSCCCOCCCC1CO1 34a_100011216438_100000733510 [0,1,0,1,0,0|1,0,0]=3 29835 B13R1.659 CCSCCCOCCCC1CO1 7a_100011216438_100000733510 [0,1,0,1,0,0|1,0,0]=3 29836 B13R1.659 CNCCCCCOCCC1CC1 34a_100000722520_100000694398 [0,1,0,1,0,0|2,0,0]=4 29837 B13R1.659 CNCCCCCOCCC1CO1 34a_100000722520_100000732470 [0,1,0,1,0,0|1,0,0]=3 29838 B13R1.659 CNCCOCCOCCC1CO1 34a_100000228057_100000732470 [0,1,0,1,0,0|2,0,0]=4 29839 B13R1.659 COCCCCCCNCC1CC1 2230a_100000735609_100011998445 [0,1,0,1,0,0|1,0,0]=3 29840 B13R1.659 COCCCCCCNCC1CC1 34a_100000735609_100011998445 [0,1,0,1,0,0|1,0,0]=3 29841 B13R1.659 COCCCCCCOCC1CC1 34a_100000211283_100011998445 [0,1,0,1,0,0|1,0,0]=3 29842 B13R1.659 COCCCCCCOCC1CC1 34a_200012092642_100000742324 [0,1,0,1,0,0|1,0,0]=3 29843 B13R1.659 COCCCCCCOCC1CC1 7a_200012092642_100000742324 [0,1,0,1,0,0|1,0,0]=3 29844 B13R1.659 COCCCCCCOCC1CO1 34a_200012092642_102125554688 [0,1,0,1,0,0|1,0,0]=3 29845 B13R1.659 COCCCCCCOCC1CO1 7a_200012092642_102125554688 [0,1,0,1,0,0|1,0,0]=3 29846 B13R1.659 COCCCCCCOCC1CS1 7a_200012092642_100000031435 [0,1,0,1,0,0|1,1,0]=4 29847 B13R1.659 COCCCCCCOC[C@@H]1CO1 34a_100000757423_100011998445 [0,1,0,1,0,0|1,0,0]=3 29848 B13R1.659 COCCCCCCOC[C@@H]1CO1 7a_200012092642_100000745022 [0,1,0,1,0,0|1,0,0]=3 29849 B13R1.659 COCCCCCCSCC1CC1 62a_100000756562_100011998445 [0,1,0,1,0,0|1,0,0]=3 29850 B13R1.659 COCCCCCCSCC1CC1 62a_100011998445_100000742324 [0,1,0,1,0,0|1,0,0]=3 29851 B13R1.659 COCCCCCCSCC1CO1 62a_100011998445_102125554688 [0,1,0,1,0,0|1,0,0]=3 29852 B13R1.659 COCCCCCCSCC1CO1 62a_102125554688_100011998445 [0,1,0,1,0,0|1,0,0]=3 29853 B13R1.659 COCCCCCCSCC1CS1 62a_100000031435_100011998445 [0,1,0,1,0,0|1,1,0]=4 29854 B13R1.659 COCCCCCCSCC1CS1 62a_100011998445_100000031435 [0,1,0,1,0,0|1,1,0]=4 29855 B13R1.659 COCCCCCCSC[C@@H]1CO1 62a_100000745022_100011998445 [0,1,0,1,0,0|1,0,0]=3 29856 B13R1.659 COCCCCCCSC[C@@H]1CO1 62a_100011998445_100000745022 [0,1,0,1,0,0|1,0,0]=3 29857 B13R1.659 COCCCCCNCCC1CC1 2230a_100000747528_100000694398 [0,1,0,1,0,0|1,0,0]=3 29858 B13R1.659 COCCCCCNCCC1CC1 34a_100000747528_100000694398 [0,1,0,1,0,0|1,0,0]=3 29859 B13R1.659 COCCCCCNCCC1CO1 2230a_100000747528_100000732470 [0,1,0,1,0,0|1,0,0]=3 29860 B13R1.659 COCCCCCNCCC1CO1 34a_100000747528_100000732470 [0,1,0,1,0,0|1,0,0]=3 29861 B13R1.659 COCCCCOCCCC1CO1 34a_100000740925_100000733510 [0,1,0,1,0,0|1,0,0]=3 29862 B13R1.659 COCCCCOCCNC1CC1 34a_100000738766_100000755781 [0,1,0,1,0,0|2,0,0]=4 29863 B13R1.659 COCCCCSCCCC1CO1 62a_100000730899_100000733510 [0,1,0,1,0,0|1,0,0]=3 29864 B13R1.659 COCCCCSCCCC1CO1 62a_100000733510_100000730899 [0,1,0,1,0,0|1,0,0]=3 29865 B13R1.659 COCCCOCCCOC1CC1 34a_200011215475_100000211595 [0,1,0,1,0,0|2,0,0]=4 29866 B13R1.659 COCCOCCCNCC1CC1 2230a_100000206027_100000742324 [0,1,0,1,0,0|2,0,0]=4 29867 B13R1.659 COCCOCCCNCC1CC1 2230a_100000735609_100011216529 [0,1,0,1,0,0|2,0,0]=4 29868 B13R1.659 COCCOCCCNCC1CC1 269862a_100000206027_100000741477 [0,1,0,1,0,0|2,0,0]=4 29869 B13R1.659 COCCOCCCNCC1CC1 34a_100000206027_100000742324 [0,1,0,1,0,0|2,0,0]=4 29870 B13R1.659 COCCOCCCNCC1CC1 34a_100000735609_100011216529 [0,1,0,1,0,0|2,0,0]=4 29871 B13R1.659 COCCOCCCNCC1CO1 2230a_100000206027_100011216344 [0,1,0,1,0,0|2,0,0]=4 29872 B13R1.659 COCCOCCCNCC1CO1 34a_100000206027_102125554688 [0,1,0,1,0,0|2,0,0]=4 29873 B13R1.659 COCCOCCCOCC1CC1 34a_100000211283_100011216529 [0,1,0,1,0,0|2,0,0]=4 29874 B13R1.659 COCCOCCCOC[C@@H]1CO1 34a_100000757423_100011216529 [0,1,0,1,0,0|2,0,0]=4 29875 B13R1.659 COCCOCCCSCC1CC1 62a_100000756562_100011216529 [0,1,0,1,0,0|2,0,0]=4 29876 B13R1.659 COCCOCCCSCC1CC1 62a_100011216529_100000742324 [0,1,0,1,0,0|2,0,0]=4 29877 B13R1.659 COCCOCCCSCC1CO1 62a_100011216529_102125554688 [0,1,0,1,0,0|2,0,0]=4 29878 B13R1.659 COCCOCCCSCC1CO1 62a_102125554688_100011216529 [0,1,0,1,0,0|2,0,0]=4 29879 B13R1.659 COCCOCCCSC[C@@H]1CO1 62a_100000745022_100011216529 [0,1,0,1,0,0|2,0,0]=4 29880 B13R1.659 COCCOCCCSC[C@@H]1CO1 62a_100011216529_100000745022 [0,1,0,1,0,0|2,0,0]=4 29881 B13R1.659 COCCOCCNCCC1CC1 2230a_100000745349_100000694398 [0,1,0,1,0,0|2,0,0]=4 29882 B13R1.659 COCCOCCNCCC1CC1 34a_100000745349_100000694398 [0,1,0,1,0,0|2,0,0]=4 29883 B13R1.659 COCCOCCNCCC1CC1 34a_100000764129_100000695917 [0,1,0,1,0,0|2,0,0]=4 29884 B13R1.659 COCCOCCNCCC1CO1 2230a_100000745349_100000732470 [0,1,0,1,0,0|2,0,0]=4 29885 B13R1.659 COCCOCCNCCC1CO1 34a_100000745349_100000732470 [0,1,0,1,0,0|2,0,0]=4 29886 B13R1.659 COCCOCCOCCC1CC1 34a_100000754188_100000695917 [0,1,0,1,0,0|2,0,0]=4 29887 B13R1.659 COCCOCCOCCC1CC1 34a_100011215163_100000694398 [0,1,0,1,0,0|2,0,0]=4 29888 B13R1.659 COCCOCCOCCC1CC1 7a_100000754188_100000695917 [0,1,0,1,0,0|2,0,0]=4 29889 B13R1.659 COCCOCCOCCC1CC1 7a_100011215163_100000764125 [0,1,0,1,0,0|2,0,0]=4 29890 B13R1.659 COCCOCCOCCC1CO1 34a_100011215163_100000732470 [0,1,0,1,0,0|2,0,0]=4 29891 B13R1.659 COCCOCCOCCC1CO1 7a_100011215163_100000732470 [0,1,0,1,0,0|2,0,0]=4 29892 B13R1.659 COCCOCCOCC[C@@H]1CO1 34a_100009820653_100000695917 [0,1,0,1,0,0|2,0,0]=4 29893 B13R1.659 COCCOCCSCCC1CC1 62a_100000695917_100000764125 [0,1,0,1,0,0|2,0,0]=4 29894 B13R1.659 COCCOCCSCCC1CC1 62a_100000764125_100000695917 [0,1,0,1,0,0|2,0,0]=4 29895 B13R1.659 COCCOCCSCCC1CO1 62a_100000695917_100000732470 [0,1,0,1,0,0|2,0,0]=4 29896 B13R1.659 COCCOCCSCCC1CO1 62a_100000732470_100000695917 [0,1,0,1,0,0|2,0,0]=4 29897 B13R1.659 COCCOCSCCCC1CO1 62a_100000231047_100000733510 [0,1,0,1,0,0|2,0,0]=4 29898 B13R1.659 COCCOCSCCCC1CO1 62a_100000733510_100000231047 [0,1,0,1,0,0|2,0,0]=4 29899 B13R1.659 CSCCCCOCCCC1CO1 34a_100011217163_100000733510 [0,1,0,1,0,0|1,0,0]=3 29900 B13R1.659 CSCCCCOCCCC1CO1 7a_100011217163_100000733510 [0,1,0,1,0,0|1,0,0]=3 29901 B13R1.659 CSCOCCCCOCC1CO1 34a_100010889290_100011218213 [0,1,0,1,0,0|2,0,0]=4 29902 B13R1.659 ClCCCCCCCCOC1CC1 34a_100000033203_100000211595 [0,1,0,1,0,0|1,0,0]=3 29903 B13R1.659 ClCCCCCCOCCC1CC1 34a_100000766143_100000694398 [0,1,0,1,0,0|1,0,0]=3 29904 B13R1.659 ClCCCCCCOCCC1CC1 7a_100000766143_100000764125 [0,1,0,1,0,0|1,0,0]=3 29905 B13R1.659 ClCCCCCCOCCC1CO1 34a_100000766143_100000732470 [0,1,0,1,0,0|1,0,0]=3 29906 B13R1.659 ClCCCCCCOCCC1CO1 7a_100000766143_100000732470 [0,1,0,1,0,0|1,0,0]=3 29907 B13R1.659 ClCCCCCOCCCC1CO1 34a_100000746330_100000733510 [0,1,0,1,0,0|1,0,0]=3 29908 B13R1.659 ClCCCCCOCCCC1CO1 7a_100000746330_100000733510 [0,1,0,1,0,0|1,0,0]=3 29909 B13R1.659 ClCCOCCOCCCC1CO1 34a_100011215305_100000733510 [0,1,0,1,0,0|2,0,0]=4 29910 B13R1.659 ClCCOCCOCCCC1CO1 7a_100011215305_100000733510 [0,1,0,1,0,0|2,0,0]=4 29911 B13R1.659 FCCCCCCNCCC1CC1 34a_100000764129_100015922095 [0,1,0,1,0,0|1,0,0]=3 29912 B13R1.659 FCCCCCCOCCC1CC1 34a_100000732779_100000694398 [0,1,0,1,0,0|1,0,0]=3 29913 B13R1.659 FCCCCCCOCCC1CC1 34a_100000754188_100015922095 [0,1,0,1,0,0|1,0,0]=3 29914 B13R1.659 FCCCCCCOCCC1CC1 7a_100000732779_100000764125 [0,1,0,1,0,0|1,0,0]=3 29915 B13R1.659 FCCCCCCOCCC1CC1 7a_100000754188_100015922095 [0,1,0,1,0,0|1,0,0]=3 29916 B13R1.659 FCCCCCCOCCC1CO1 34a_100000732779_100000732470 [0,1,0,1,0,0|1,0,0]=3 29917 B13R1.659 FCCCCCCOCCC1CO1 7a_100000732779_100000732470 [0,1,0,1,0,0|1,0,0]=3 29918 B13R1.659 FCCCCCCOCC[C@@H]1CO1 34a_100009820653_100015922095 [0,1,0,1,0,0|1,0,0]=3 29919 B13R1.659 FCCCCCCSCCC1CC1 62a_100000764125_100015922095 [0,1,0,1,0,0|1,0,0]=3 29920 B13R1.659 FCCCCCCSCCC1CC1 62a_100015922095_100000764125 [0,1,0,1,0,0|1,0,0]=3 29921 B13R1.659 FCCCCCCSCCC1CO1 62a_100000732470_100015922095 [0,1,0,1,0,0|1,0,0]=3 29922 B13R1.659 FCCCCCCSCCC1CO1 62a_100015922095_100000732470 [0,1,0,1,0,0|1,0,0]=3 29923 B13R1.659 FCCCCCOCCNC1CC1 34a_100000738766_100000729378 [0,1,0,1,0,0|2,0,0]=4 29924 B13R1.659 FCCCCCSCCCC1CO1 62a_100000729378_100000733510 [0,1,0,1,0,0|1,0,0]=3 29925 B13R1.659 FCCCCCSCCCC1CO1 62a_100000733510_100000729378 [0,1,0,1,0,0|1,0,0]=3 29926 B13R1.659 FCCOCCCCOCC1CO1 34a_100010889290_100011217306 [0,1,0,1,0,0|2,0,0]=4 29927 B13R1.659 FCCOCCCCOCC1CO1 7a_100010889290_100011217306 [0,1,0,1,0,0|2,0,0]=4 29928 B13R1.659 FCCOCCOCCCC1CO1 34a_200015357709_100000733510 [0,1,0,1,0,0|2,0,0]=4 29929 B13R1.659 FCCOCCOCCCC1CO1 7a_200015357709_100000733510 [0,1,0,1,0,0|2,0,0]=4 29930 B13R1.659 ICCCCCOCCCC1CO1 34a_200012148887_100000733510 [0,1,0,1,0,0|1,0,0]=3 29931 B13R1.659 ICCCCCOCCCC1CO1 7a_200012148887_100000733510 [0,1,0,1,0,0|1,0,0]=3 29932 B13R1.659 ICCOCCOCCCC1CO1 34a_100012149058_100000733510 [0,1,0,1,0,0|2,0,0]=4 29933 B13R1.659 ICCOCCOCCCC1CO1 7a_100012149058_100000733510 [0,1,0,1,0,0|2,0,0]=4 29934 B13R1.659 N#CCCCCCCNCC1CC1 2230a_100000735609_100009813337 [0,1,0,1,0,0|1,0,1]=4 29935 B13R1.659 N#CCCCCCCSCC1CC1 62a_100000756562_100009813337 [0,1,0,1,0,0|1,0,1]=4 29936 B13R1.659 N#CCCCCCCSCC1CC1 62a_100009813337_100000742324 [0,1,0,1,0,0|1,0,1]=4 29937 B13R1.659 N#CCCCCCCSCC1CO1 62a_100009813337_102125554688 [0,1,0,1,0,0|1,0,1]=4 29938 B13R1.659 N#CCCCCCCSCC1CO1 62a_102125554688_100009813337 [0,1,0,1,0,0|1,0,1]=4 29939 B13R1.659 N#CCCCCCCSC[C@@H]1CO1 62a_100000745022_100009813337 [0,1,0,1,0,0|1,0,1]=4 29940 B13R1.659 N#CCCCCCCSC[C@@H]1CO1 62a_100009813337_100000745022 [0,1,0,1,0,0|1,0,1]=4 29941 B13R1.659 N#CCCCCCOCCC1CC1 7a_100000754188_100009813376 [0,1,0,1,0,0|1,0,1]=4 29942 B13R1.659 N#CCCCCCSCCC1CC1 62a_100000764125_100009813376 [0,1,0,1,0,0|1,0,1]=4 29943 B13R1.659 N#CCCCCCSCCC1CC1 62a_100009813376_100000764125 [0,1,0,1,0,0|1,0,1]=4 29944 B13R1.659 N#CCCCCCSCCC1CO1 62a_100000732470_100009813376 [0,1,0,1,0,0|1,0,1]=4 29945 B13R1.659 N#CCCCCCSCCC1CO1 62a_100009813376_100000732470 [0,1,0,1,0,0|1,0,1]=4 29946 B13R1.659 N#CCCCCSCCCC1CO1 62a_100000733510_100000211819 [0,1,0,1,0,0|1,0,1]=4 29947 B13R1.659 N#CCCCCSCCCC1CO1 62a_100011219923_100000733510 [0,1,0,1,0,0|1,0,1]=4 29948 B13R1.659 NCCCCCCCCOC1CC1 34a_102515433106_100000211595 [0,1,0,1,0,0|1,0,0]=3 29949 B13R1.659 NCCCCCCCOCC1CC1 34a_100011996573_100000742324 [0,1,0,1,0,0|1,0,0]=3 29950 B13R1.659 NCCCCCCCOCC1CO1 34a_100011996573_102125554688 [0,1,0,1,0,0|1,0,0]=3 29951 B13R1.659 NCCCCCCOCCC1CC1 34a_100000686447_100000694398 [0,1,0,1,0,0|1,0,0]=3 29952 B13R1.659 NCCCCCCOCCC1CO1 34a_100000686447_100000732470 [0,1,0,1,0,0|1,0,0]=3 29953 B13R1.659 NCCCCCOCCCC1CO1 34a_100000762737_100000733510 [0,1,0,1,0,0|1,0,0]=3 29954 B13R1.659 NCCCOCCCOCC1CC1 34a_100011310245_100000742324 [0,1,0,1,0,0|2,0,0]=4 29955 B13R1.659 NCCCOCCCOCC1CO1 34a_100011310245_102125554688 [0,1,0,1,0,0|2,0,0]=4 29956 B13R1.659 NCCNCCCCCOC1CC1 34a_103619048469_100000211595 [0,1,0,1,0,0|2,0,0]=4 29957 B13R1.659 NCCOCCOCCCC1CO1 34a_100000211614_100000733510 [0,1,0,1,0,0|2,0,0]=4 29958 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [0,1,0,1,0,0|0,0,2]=4 29959 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [0,1,0,1,0,0|0,0,2]=4 29960 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [0,1,0,1,0,0|0,0,2]=4 29961 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [0,1,0,1,0,0|1,0,1]=4 29962 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [0,1,0,1,0,0|1,0,1]=4 29963 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [0,1,0,1,0,0|1,0,1]=4 29964 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [0,1,0,1,0,0|1,0,1]=4 29965 B13R1.659 OCCCCCCCCNC1CC1 34a_100000212008_100000033203 [0,1,0,1,0,0|0,0,0]=2 29966 B13R1.659 OCCCCCCCCNC1CC1 34a_102515433106_100000211595 [0,1,0,1,0,0|0,0,0]=2 29967 B13R1.659 OCCCCCCCCSC1CC1 62a_100000033203_100000211595 [0,1,0,1,0,0|0,0,0]=2 29968 B13R1.659 OCCCCCCCNCC1CC1 2230a_100000735609_100000760002 [0,1,0,1,0,0|0,0,0]=2 29969 B13R1.659 OCCCCCCCNCC1CC1 2230a_100011996573_100000742324 [0,1,0,1,0,0|0,0,0]=2 29970 B13R1.659 OCCCCCCCNCC1CC1 269862a_100011996573_100000741477 [0,1,0,1,0,0|0,0,0]=2 29971 B13R1.659 OCCCCCCCNCC1CC1 34a_100000735609_100000760002 [0,1,0,1,0,0|0,0,0]=2 29972 B13R1.659 OCCCCCCCNCC1CC1 34a_100011996573_100000742324 [0,1,0,1,0,0|0,0,0]=2 29973 B13R1.659 OCCCCCCCNCC1CO1 2230a_100011996573_100011216344 [0,1,0,1,0,0|1,0,0]=3 29974 B13R1.659 OCCCCCCCNCC1CO1 34a_100011996573_102125554688 [0,1,0,1,0,0|1,0,0]=3 29975 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [0,1,0,1,0,0|0,0,0]=2 29976 B13R1.659 OCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000760002 [0,1,0,1,0,0|1,0,0]=3 29977 B13R1.659 OCCCCCCCSCC1CC1 62a_100000756562_100000760002 [0,1,0,1,0,0|0,0,0]=2 29978 B13R1.659 OCCCCCCCSCC1CC1 62a_100000760002_100000742324 [0,1,0,1,0,0|0,0,0]=2 29979 B13R1.659 OCCCCCCCSCC1CO1 62a_100000760002_102125554688 [0,1,0,1,0,0|1,0,0]=3 29980 B13R1.659 OCCCCCCCSCC1CO1 62a_102125554688_100000760002 [0,1,0,1,0,0|1,0,0]=3 29981 B13R1.659 OCCCCCCCSCC1CS1 62a_100000031435_100000760002 [0,1,0,1,0,0|1,0,0]=3 29982 B13R1.659 OCCCCCCCSCC1CS1 62a_100000760002_100000031435 [0,1,0,1,0,0|1,0,0]=3 29983 B13R1.659 OCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000760002 [0,1,0,1,0,0|1,0,0]=3 29984 B13R1.659 OCCCCCCCSC[C@@H]1CO1 62a_100000760002_100000745022 [0,1,0,1,0,0|1,0,0]=3 29985 B13R1.659 OCCCCCCNCCC1CC1 2230a_100000686447_100000694398 [0,1,0,1,0,0|0,0,0]=2 29986 B13R1.659 OCCCCCCNCCC1CC1 34a_100000686447_100000694398 [0,1,0,1,0,0|0,0,0]=2 29987 B13R1.659 OCCCCCCNCCC1CC1 34a_100000764129_100000766143 [0,1,0,1,0,0|0,0,0]=2 29988 B13R1.659 OCCCCCCNCCC1CO1 2230a_100000686447_100000732470 [0,1,0,1,0,0|1,0,0]=3 29989 B13R1.659 OCCCCCCNCCC1CO1 34a_100000686447_100000732470 [0,1,0,1,0,0|1,0,0]=3 29990 B13R1.659 OCCCCCCOCCC1CC1 34a_100000754188_100000766143 [0,1,0,1,0,0|0,0,0]=2 29991 B13R1.659 OCCCCCCOCCC1CC1 7a_100000754188_100000766143 [0,1,0,1,0,0|0,0,0]=2 29992 B13R1.659 OCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000766143 [0,1,0,1,0,0|1,0,0]=3 29993 B13R1.659 OCCCCCCSCCC1CC1 62a_100000764125_100000766143 [0,1,0,1,0,0|0,0,0]=2 29994 B13R1.659 OCCCCCCSCCC1CC1 62a_100000766143_100000764125 [0,1,0,1,0,0|0,0,0]=2 29995 B13R1.659 OCCCCCCSCCC1CO1 62a_100000732470_100000766143 [0,1,0,1,0,0|1,0,0]=3 29996 B13R1.659 OCCCCCCSCCC1CO1 62a_100000766143_100000732470 [0,1,0,1,0,0|1,0,0]=3 29997 B13R1.659 OCCCCCNCC#CC1CC1 2230a_100000762737_100009895102 [0,1,0,1,0,0|0,0,2]=4 29998 B13R1.659 OCCCCCNCC#CC1CC1 34a_100000762737_100009895102 [0,1,0,1,0,0|0,0,2]=4 29999 B13R1.659 OCCCCCNCCCC1CO1 2230a_100000762737_100000733510 [0,1,0,1,0,0|1,0,0]=3 30000 B13R1.659 OCCCCCNCCCC1CO1 34a_100000762737_100000733510 [0,1,0,1,0,0|1,0,0]=3 30001 B13R1.659 OCCCCCOCC#CC1CC1 34a_100000083941_100000746330 [0,1,0,1,0,0|0,0,2]=4 30002 B13R1.659 OCCCCCOCC#CC1CC1 7a_100000083941_100000746330 [0,1,0,1,0,0|0,0,2]=4 30003 B13R1.659 OCCCCCOCCNC1CC1 34a_100000738766_100000746330 [0,1,0,1,0,0|1,0,0]=3 30004 B13R1.659 OCCCCCSCC#CC1CC1 62a_100000746330_100009895102 [0,1,0,1,0,0|0,0,2]=4 30005 B13R1.659 OCCCCCSCC#CC1CC1 62a_100009895102_100000746330 [0,1,0,1,0,0|0,0,2]=4 30006 B13R1.659 OCCCCCSCCCC1CO1 62a_100000733510_100000746330 [0,1,0,1,0,0|1,0,0]=3 30007 B13R1.659 OCCCCCSCCCC1CO1 62a_100000746330_100000733510 [0,1,0,1,0,0|1,0,0]=3 30008 B13R1.659 OCCCOCCCNCC1CC1 2230a_100011310245_100000742324 [0,1,0,1,0,0|1,0,0]=3 30009 B13R1.659 OCCCOCCCNCC1CC1 269862a_100011310245_100000741477 [0,1,0,1,0,0|1,0,0]=3 30010 B13R1.659 OCCCOCCCNCC1CC1 34a_100011310245_100000742324 [0,1,0,1,0,0|1,0,0]=3 30011 B13R1.659 OCCCOCCCNCC1CO1 2230a_100011310245_100011216344 [0,1,0,1,0,0|2,0,0]=4 30012 B13R1.659 OCCCOCCCNCC1CO1 34a_100011310245_102125554688 [0,1,0,1,0,0|2,0,0]=4 30013 B13R1.659 OCCOCCCCOCC1CO1 34a_100010889290_100000211926 [0,1,0,1,0,0|2,0,0]=4 30014 B13R1.659 OCCOCCCCOCC1CO1 7a_100010889290_100000211926 [0,1,0,1,0,0|2,0,0]=4 30015 B13R1.659 OCCOCCNCCCC1CO1 2230a_100000211614_100000733510 [0,1,0,1,0,0|2,0,0]=4 30016 B13R1.659 OCCOCCNCCCC1CO1 34a_100000211614_100000733510 [0,1,0,1,0,0|2,0,0]=4 30017 B13R1.659 OCCOCCOCCNC1CC1 34a_100000212008_100000032323 [0,1,0,1,0,0|2,0,0]=4 30018 B13R1.659 OCCOCCOCCNC1CC1 34a_100000738766_100000692535 [0,1,0,1,0,0|2,0,0]=4 30019 B13R1.659 OCCOCCOCCNC1CC1 34a_100011998139_100000211595 [0,1,0,1,0,0|2,0,0]=4 30020 B13R1.659 OCCOCCOCCSC1CC1 62a_100000032323_100000211595 [0,1,0,1,0,0|2,0,0]=4 30021 B13R1.659 OCCOCCSCCCC1CO1 62a_100000733510_100011215305 [0,1,0,1,0,0|2,0,0]=4 30022 B13R1.659 OCCOCCSCCCC1CO1 62a_100011215305_100000733510 [0,1,0,1,0,0|2,0,0]=4 30023 B13R1.659 OCCSCCNCCCC1CO1 2230a_100011219999_100000733510 [0,1,0,1,0,0|2,0,0]=4 30024 B13R1.667 C#CCCCCCCN1CCC1C 269982a_100000755817_100012276617 [0,1,0,1,0,0|1,0,1]=4 30025 B13R1.667 C#CCCCCCCN1CCC1C 34a_100000755817_100012276617 [0,1,0,1,0,0|1,0,1]=4 30026 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [0,1,0,1,0,0|1,0,1]=4 30027 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [0,1,0,1,0,0|1,0,1]=4 30028 B13R1.667 CC1CCN1CCCCCCC#N 269982a_100000755817_100009813337 [0,1,0,1,0,0|1,0,1]=4 30029 B13R1.667 CC1CCN1CCCCCCCO 269982a_100000755817_100000760002 [0,1,0,1,0,0|0,0,0]=2 30030 B13R1.667 CC1CCN1CCCCCCCO 34a_100000755817_100000760002 [0,1,0,1,0,0|0,0,0]=2 30031 B13R1.667 CCCCCCCCN1CCC1C 269982a_100000755817_100000210759 [0,1,0,1,0,0|1,0,0]=3 30032 B13R1.667 CCCCCCCCN1CCC1C 34a_100000755817_100000210759 [0,1,0,1,0,0|1,0,0]=3 30033 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|0,0,2]=4 30034 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|0,0,2]=4 30035 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|0,0,2]=4 30036 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|0,0,2]=4 30037 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|0,0,2]=4 30038 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|0,0,2]=4 30039 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|0,0,2]=4 30040 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|0,0,2]=4 30041 B13R1.667 COCCCCCCN1CCC1C 269982a_100000755817_100011998445 [0,1,0,1,0,0|1,0,0]=3 30042 B13R1.667 COCCCCCCN1CCC1C 34a_100000755817_100011998445 [0,1,0,1,0,0|1,0,0]=3 30043 B13R1.667 COCCOCCCN1CCC1C 269982a_100000755817_100011216529 [0,1,0,1,0,0|2,0,0]=4 30044 B13R1.667 COCCOCCCN1CCC1C 34a_100000755817_100011216529 [0,1,0,1,0,0|2,0,0]=4 30045 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,1,0,1,0,0|1,0,1]=4 30046 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,1,0,1,0,0|1,0,1]=4 30047 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,1,0,1,0,0|1,0,1]=4 30048 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,1,0,1,0,0|1,0,1]=4 30049 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,1,0,1,0,0|1,0,1]=4 30050 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,1,0,1,0,0|1,0,1]=4 30051 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [0,1,0,1,0,0|1,0,1]=4 30052 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [0,1,0,1,0,0|1,0,1]=4 30053 B13R1.671 CCCC1CCCC1=NNCCO 4a_100000210001_100000723119 [0,1,0,1,0,0|1,0,1]=4 30054 B13R1.671 CCCC1CCCC1NCCC#N 270004a_100000720768_100000723119 [0,1,0,1,0,0|1,0,1]=4 30055 B13R1.671 CCCC1CCCC1NCCCF 269862a_100015189416_100000723119 [0,1,0,1,0,0|1,0,0]=3 30056 B13R1.671 CCCC1CCCC1NCCCF 270004a_100015189416_100000723119 [0,1,0,1,0,0|1,0,0]=3 30057 B13R1.671 CCCC1CCCC1NCCCO 269862a_100000182051_100000723119 [0,1,0,1,0,0|0,0,0]=2 30058 B13R1.671 CCCC1CCCC1NCCCO 270004a_100000182051_100000723119 [0,1,0,1,0,0|0,0,0]=2 30059 B13R1.671 CCCC1CCCC1NCCOC 269862a_100000209980_100000723119 [0,1,0,1,0,0|1,0,0]=3 30060 B13R1.671 CCCC1CCCC1NCCOC 270004a_100000209980_100000723119 [0,1,0,1,0,0|1,0,0]=3 30061 B13R1.671 CCCC1CCCC1NCCSC 269862a_100020590264_100000723119 [0,1,0,1,0,0|1,1,0]=4 30062 B13R1.671 CCCC1CCCC1NCCSC 270004a_100020590264_100000723119 [0,1,0,1,0,0|1,1,0]=4 30063 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [0,1,0,1,0,0|1,0,0]=3 30064 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [0,1,0,1,0,0|1,0,0]=3 30065 B13R1.671 CCCCCN1CCC[C@H]1COC 2230a_100020646714_100000210326 [0,1,0,1,0,0|1,0,0]=3 30066 B13R1.671 CCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210215 [0,1,0,1,0,0|1,0,0]=3 30067 B13R1.671 CCCCCN1CCC[C@H]1COC 34a_100020646714_100000718602 [0,1,0,1,0,0|1,0,0]=3 30068 B13R1.671 CCCCNC1CCCC1CCC 269862a_100000102301_100000723119 [0,1,0,1,0,0|1,0,0]=3 30069 B13R1.671 CCCCNC1CCCC1CCC 270004a_100000102301_100000723119 [0,1,0,1,0,0|1,0,0]=3 30070 B13R1.671 CCCN1CCCC1COCCF 34a_200000694710_100011217306 [0,1,0,1,0,0|2,0,0]=4 30071 B13R1.671 CCCN1CCCC1COCCF 7a_200000694710_100011217306 [0,1,0,1,0,0|2,0,0]=4 30072 B13R1.671 CCCN1CCCC1COCCO 34a_200000694710_100000211926 [0,1,0,1,0,0|1,0,0]=3 30073 B13R1.671 CCCN1CCCC1COCCO 7a_200000694710_100000211926 [0,1,0,1,0,0|1,0,0]=3 30074 B13R1.671 CCCOCC1CCCN1CCC 34a_200000694710_100000210303 [0,1,0,1,0,0|2,0,0]=4 30075 B13R1.671 CCCOCC1CCCN1CCC 7a_200000694710_100000210303 [0,1,0,1,0,0|2,0,0]=4 30076 B13R1.671 CCOCCN1CCC[C@H]1COC 2230a_100020646714_100011215890 [0,1,0,1,0,0|2,0,0]=4 30077 B13R1.671 CCOCCN1CCC[C@H]1COC 269982a_100020646714_100011215890 [0,1,0,1,0,0|2,0,0]=4 30078 B13R1.671 CCOCCN1CCC[C@H]1COC 34a_100020646714_100000210147 [0,1,0,1,0,0|2,0,0]=4 30079 B13R1.671 CCSCCN1CCC[C@H]1COC 2230a_100020646714_100000757381 [0,1,0,1,0,0|2,0,0]=4 30080 B13R1.671 CCSCCN1CCC[C@H]1COC 269982a_100020646714_100000757381 [0,1,0,1,0,0|2,0,0]=4 30081 B13R1.671 CCSCCN1CCC[C@H]1COC 34a_100020646714_100000757381 [0,1,0,1,0,0|2,0,0]=4 30082 B13R1.671 COCCCN1CCC[C@H]1COC 2230a_100020646714_100000740836 [0,1,0,1,0,0|2,0,0]=4 30083 B13R1.671 COCCCN1CCC[C@H]1COC 269982a_100020646714_100000740836 [0,1,0,1,0,0|2,0,0]=4 30084 B13R1.671 COCCCN1CCC[C@H]1COC 34a_100020646714_100000740836 [0,1,0,1,0,0|2,0,0]=4 30085 B13R1.671 COC[C@@H]1CCCN1CCCCF 2230a_100020646714_100000729493 [0,1,0,1,0,0|2,0,0]=4 30086 B13R1.671 COC[C@@H]1CCCN1CCCCF 269982a_100020646714_100000729493 [0,1,0,1,0,0|2,0,0]=4 30087 B13R1.671 COC[C@@H]1CCCN1CCCCF 34a_100020646714_100000729493 [0,1,0,1,0,0|2,0,0]=4 30088 B13R1.671 COC[C@@H]1CCCN1CCCCO 2230a_100020646714_100000210776 [0,1,0,1,0,0|1,0,0]=3 30089 B13R1.671 COC[C@@H]1CCCN1CCCCO 269982a_100020646714_100000210776 [0,1,0,1,0,0|1,0,0]=3 30090 B13R1.671 COC[C@@H]1CCCN1CCCCO 34a_100020646714_100011216708 [0,1,0,1,0,0|1,0,0]=3 30091 B13R1.1150 C#CCCCN1CCCCCCC1 2230a_100000211400_100000731252 [0,1,0,1,0,0|1,0,1]=4 30092 B13R1.1150 C#CCCCN1CCCCCCC1 269982a_100000211400_100011215417 [0,1,0,1,0,0|1,0,1]=4 30093 B13R1.1150 C#CCCCN1CCCCCCC1 34a_100000211400_100000695029 [0,1,0,1,0,0|1,0,1]=4 30094 B13R1.1150 C#CCCNC1CCCCCCC1 2230a_100000211152_100000688953 [0,1,0,1,0,0|1,0,1]=4 30095 B13R1.1150 C#CCCNC1CCCCCCC1 34a_100000211152_100000688953 [0,1,0,1,0,0|1,0,1]=4 30096 B13R1.1150 C#CCCOC1CCCCCCC1 34a_100000210054_100000688953 [0,1,0,1,0,0|1,0,1]=4 30097 B13R1.1150 C#CCCOC1CCCCCCC1 7a_100000210054_100000688953 [0,1,0,1,0,0|1,0,1]=4 30098 B13R1.1150 C#CCOCC1CCCCCCC1 34a_100011216312_100000184674 [0,1,0,1,0,0|1,0,1]=4 30099 B13R1.1150 C#CCOCC1CCCCCCC1 7a_100011216312_100000038162 [0,1,0,1,0,0|1,0,1]=4 30100 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [0,1,0,1,0,0|1,0,1]=4 30101 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [0,1,0,1,0,0|1,0,1]=4 30102 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [0,1,0,1,0,0|1,0,1]=4 30103 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [0,1,0,1,0,0|1,0,1]=4 30104 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [0,1,0,1,0,0|1,0,1]=4 30105 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [0,1,0,1,0,0|1,0,1]=4 30106 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [0,1,0,1,0,0|1,0,1]=4 30107 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [0,1,0,1,0,0|1,0,1]=4 30108 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [0,1,0,1,0,0|1,0,1]=4 30109 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [0,1,0,1,0,0|1,0,1]=4 30110 B13R1.1150 CCCCCN1CCCCCCC1 2230a_100000211400_100000210326 [0,1,0,1,0,0|1,0,0]=3 30111 B13R1.1150 CCCCCN1CCCCCCC1 269982a_100000211400_100000210215 [0,1,0,1,0,0|1,0,0]=3 30112 B13R1.1150 CCCCCN1CCCCCCC1 34a_100000211400_100000718602 [0,1,0,1,0,0|1,0,0]=3 30113 B13R1.1150 CCCCNC1CCCCCCC1 2230a_100000211152_100000210211 [0,1,0,1,0,0|1,0,0]=3 30114 B13R1.1150 CCCCNC1CCCCCCC1 270004a_100000102301_100000210524 [0,1,0,1,0,0|1,0,0]=3 30115 B13R1.1150 CCCCNC1CCCCCCC1 34a_100000211152_100000210210 [0,1,0,1,0,0|1,0,0]=3 30116 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [0,1,0,1,0,0|1,0,1]=4 30117 B13R1.1150 CCCCOC1CCCCCCC1 34a_100000210054_100000210210 [0,1,0,1,0,0|1,0,0]=3 30118 B13R1.1150 CCCCOC1CCCCCCC1 7a_100000210054_100000210211 [0,1,0,1,0,0|1,0,0]=3 30119 B13R1.1150 CCCOCC1CCCCCCC1 34a_100011216312_100000210303 [0,1,0,1,0,0|1,0,0]=3 30120 B13R1.1150 CCCOCC1CCCCCCC1 7a_100011216312_100000210303 [0,1,0,1,0,0|1,0,0]=3 30121 B13R1.1150 CCNCCC1CCCCCCC1 2230a_100011532352_100000210202 [0,1,0,1,0,0|1,0,0]=3 30122 B13R1.1150 CCNCCC1CCCCCCC1 34a_100011532352_100000210202 [0,1,0,1,0,0|1,0,0]=3 30123 B13R1.1150 CCOCCN1CCCCCCC1 2230a_100000211400_100011215890 [0,1,0,1,0,0|2,0,0]=4 30124 B13R1.1150 CCOCCN1CCCCCCC1 269982a_100000211400_100011215890 [0,1,0,1,0,0|2,0,0]=4 30125 B13R1.1150 CCOCCN1CCCCCCC1 34a_100000211400_100000210147 [0,1,0,1,0,0|2,0,0]=4 30126 B13R1.1150 CCSCCN1CCCCCCC1 2230a_100000211400_100000757381 [0,1,0,1,0,0|2,0,0]=4 30127 B13R1.1150 CCSCCN1CCCCCCC1 269982a_100000211400_100000757381 [0,1,0,1,0,0|2,0,0]=4 30128 B13R1.1150 CCSCCN1CCCCCCC1 34a_100000211400_100000757381 [0,1,0,1,0,0|2,0,0]=4 30129 B13R1.1150 COCCCN1CCCCCCC1 2230a_100000211400_100000740836 [0,1,0,1,0,0|1,0,0]=3 30130 B13R1.1150 COCCCN1CCCCCCC1 269982a_100000211400_100000740836 [0,1,0,1,0,0|1,0,0]=3 30131 B13R1.1150 COCCCN1CCCCCCC1 34a_100000211400_100000740836 [0,1,0,1,0,0|1,0,0]=3 30132 B13R1.1150 COCCNC1CCCCCCC1 2230a_100000211152_100011201679 [0,1,0,1,0,0|1,0,0]=3 30133 B13R1.1150 COCCNC1CCCCCCC1 270004a_100000209980_100000210524 [0,1,0,1,0,0|1,0,0]=3 30134 B13R1.1150 COCCNC1CCCCCCC1 34a_100000211152_100011201679 [0,1,0,1,0,0|1,0,0]=3 30135 B13R1.1150 COCCOC1CCCCCCC1 34a_100000210054_100011201679 [0,1,0,1,0,0|1,0,0]=3 30136 B13R1.1150 COCCOC1CCCCCCC1 7a_100000210054_100000233755 [0,1,0,1,0,0|1,0,0]=3 30137 B13R1.1150 CSCCNC1CCCCCCC1 2230a_100000211152_100000751147 [0,1,0,1,0,0|1,1,0]=4 30138 B13R1.1150 CSCCNC1CCCCCCC1 270004a_100020590264_100000210524 [0,1,0,1,0,0|1,1,0]=4 30139 B13R1.1150 CSCCNC1CCCCCCC1 34a_100000211152_100000212216 [0,1,0,1,0,0|1,1,0]=4 30140 B13R1.1150 CSCCOC1CCCCCCC1 34a_100000210054_100000212216 [0,1,0,1,0,0|1,1,0]=4 30141 B13R1.1150 CSCCOC1CCCCCCC1 7a_100000210054_100000212216 [0,1,0,1,0,0|1,1,0]=4 30142 B13R1.1150 CSCOCC1CCCCCCC1 34a_100011216312_100011218213 [0,1,0,1,0,0|1,1,0]=4 30143 B13R1.1150 FCCCCN1CCCCCCC1 2230a_100000211400_100000729493 [0,1,0,1,0,0|1,0,0]=3 30144 B13R1.1150 FCCCCN1CCCCCCC1 269982a_100000211400_100000729493 [0,1,0,1,0,0|1,0,0]=3 30145 B13R1.1150 FCCCCN1CCCCCCC1 34a_100000211400_100000729493 [0,1,0,1,0,0|1,0,0]=3 30146 B13R1.1150 FCCCNC1CCCCCCC1 2230a_100000211152_100011934791 [0,1,0,1,0,0|1,0,0]=3 30147 B13R1.1150 FCCCNC1CCCCCCC1 270004a_100015189416_100000210524 [0,1,0,1,0,0|1,0,0]=3 30148 B13R1.1150 FCCCNC1CCCCCCC1 34a_100000211152_100011934791 [0,1,0,1,0,0|1,0,0]=3 30149 B13R1.1150 FCCCOC1CCCCCCC1 34a_100000210054_100011934791 [0,1,0,1,0,0|1,0,0]=3 30150 B13R1.1150 FCCCOC1CCCCCCC1 7a_100000210054_100011934791 [0,1,0,1,0,0|1,0,0]=3 30151 B13R1.1150 FCCOCC1CCCCCCC1 34a_100011216312_100011217306 [0,1,0,1,0,0|1,0,0]=3 30152 B13R1.1150 FCCOCC1CCCCCCC1 7a_100011216312_100011217306 [0,1,0,1,0,0|1,0,0]=3 30153 B13R1.1150 FCNCCC1CCCCCCC1 34a_100011532352_100015361967 [0,1,0,1,0,0|1,0,0]=3 30154 B13R1.1150 N#CCCCN1CCCCCCC1 2230a_100000211400_100000687738 [0,1,0,1,0,0|1,0,1]=4 30155 B13R1.1150 N#CCCCN1CCCCCCC1 269982a_100000211400_100000687738 [0,1,0,1,0,0|1,0,1]=4 30156 B13R1.1150 N#CCCNC1CCCCCCC1 2230a_100000211152_100011215226 [0,1,0,1,0,0|1,0,1]=4 30157 B13R1.1150 N#CCCNC1CCCCCCC1 270004a_100000720768_100000210524 [0,1,0,1,0,0|1,0,1]=4 30158 B13R1.1150 N#CCCOC1CCCCCCC1 7a_100000210054_100000184422 [0,1,0,1,0,0|1,0,1]=4 30159 B13R1.1150 N#CCOCC1CCCCCCC1 7a_100011216312_100011215382 [0,1,0,1,0,0|1,0,1]=4 30160 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [0,1,0,1,0,0|0,0,2]=4 30161 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [0,1,0,1,0,0|0,0,2]=4 30162 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [0,1,0,1,0,0|0,0,2]=4 30163 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [0,1,0,1,0,0|0,0,2]=4 30164 B13R1.1150 OCC#CCN1CCCCCCC1 2230a_100000211400_200000047223 [0,1,0,1,0,0|0,0,2]=4 30165 B13R1.1150 OCC#CCN1CCCCCCC1 34a_100000211400_200000047223 [0,1,0,1,0,0|0,0,2]=4 30166 B13R1.1150 OCCCCN1CCCCCCC1 2230a_100000211400_100000210776 [0,1,0,1,0,0|0,0,0]=2 30167 B13R1.1150 OCCCCN1CCCCCCC1 269982a_100000211400_100000210776 [0,1,0,1,0,0|0,0,0]=2 30168 B13R1.1150 OCCCCN1CCCCCCC1 34a_100000211400_100011216708 [0,1,0,1,0,0|0,0,0]=2 30169 B13R1.1150 OCCCNC1CCCCCCC1 2230a_100000211152_100000230001 [0,1,0,1,0,0|0,0,0]=2 30170 B13R1.1150 OCCCNC1CCCCCCC1 270004a_100000182051_100000210524 [0,1,0,1,0,0|0,0,0]=2 30171 B13R1.1150 OCCCNC1CCCCCCC1 34a_100000211152_100000230001 [0,1,0,1,0,0|0,0,0]=2 30172 B13R1.1150 OCCCOC1C=CCCCCC1 34a_100000688657_100000230001 [0,1,0,1,0,0|0,0,2]=4 30173 B13R1.1150 OCCCOC1CC/C=C\CCC1 34a_100016989180_100000230001 [0,1,0,1,0,0|0,0,2]=4 30174 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [0,1,0,1,0,0|0,0,0]=2 30175 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [0,1,0,1,0,0|0,0,0]=2 30176 B13R1.1150 OCCCSC1CC/C=C\CCC1 62a_100011215043_100021000466 [0,1,0,1,0,0|0,0,2]=4 30177 B13R1.1150 OCCCSC1CC/C=C\CCC1 62a_100021000466_100011215043 [0,1,0,1,0,0|0,0,2]=4 30178 B13R1.1150 OCCNCC1CC/C=C\CCC1 2230a_100102730862_100000211926 [0,1,0,1,0,0|0,0,2]=4 30179 B13R1.1150 OCCNCC1CC/C=C\CCC1 34a_100102730862_100000211926 [0,1,0,1,0,0|0,0,2]=4 30180 B13R1.1150 OCCNN=C1CCCCCCC1 4a_100000210001_100000210524 [0,1,0,1,0,0|1,0,1]=4 30181 B13R1.1150 OCCOCC1CCCCCCC1 34a_100011216312_100000211926 [0,1,0,1,0,0|0,0,0]=2 30182 B13R1.1150 OCCOCC1CCCCCCC1 7a_100011216312_100000211926 [0,1,0,1,0,0|0,0,0]=2 30183 B13R1.1887 BrCCCCOC1CCCCCC1 34a_100011216708_100011217769 [0,1,0,1,0,0|1,0,0]=3 30184 B13R1.1887 BrCCCOCC1CCCCCC1 34a_100011217188_200000696569 [0,1,0,1,0,0|1,0,0]=3 30185 B13R1.1887 C#CCCCCN1CCCCCC1 2230a_100000185865_100010269958 [0,1,0,1,0,0|1,0,1]=4 30186 B13R1.1887 C#CCCCCN1CCCCCC1 269982a_100000185865_100010269958 [0,1,0,1,0,0|1,0,1]=4 30187 B13R1.1887 C#CCCCCN1CCCCCC1 34a_100000185865_100010269958 [0,1,0,1,0,0|1,0,1]=4 30188 B13R1.1887 C#CCCCNC1CCCCCC1 2230a_100000210984_100000731252 [0,1,0,1,0,0|1,0,1]=4 30189 B13R1.1887 C#CCCCNC1CCCCCC1 270004a_100000718082_100000210131 [0,1,0,1,0,0|1,0,1]=4 30190 B13R1.1887 C#CCCCNC1CCCCCC1 34a_100000210984_100000695029 [0,1,0,1,0,0|1,0,1]=4 30191 B13R1.1887 C#CCCCNC1CCCCCC1 34a_100000718082_100011217769 [0,1,0,1,0,0|1,0,1]=4 30192 B13R1.1887 C#CCCCOC1CCCCCC1 34a_100000210887_100000695029 [0,1,0,1,0,0|1,0,1]=4 30193 B13R1.1887 C#CCCCOC1CCCCCC1 34a_100000215630_100011217769 [0,1,0,1,0,0|1,0,1]=4 30194 B13R1.1887 C#CCCCOC1CCCCCC1 7a_100000210887_100011215417 [0,1,0,1,0,0|1,0,1]=4 30195 B13R1.1887 C#CCCCSC1CCCCCC1 62a_100011215417_100011217769 [0,1,0,1,0,0|1,0,1]=4 30196 B13R1.1887 C#CCCCSC1CCCCCC1 62a_100011217769_100011215417 [0,1,0,1,0,0|1,0,1]=4 30197 B13R1.1887 C#CCCNCC1CCCCCC1 2230a_100015204231_100000688953 [0,1,0,1,0,0|1,0,1]=4 30198 B13R1.1887 C#CCCNCC1CCCCCC1 34a_100000755551_200000696569 [0,1,0,1,0,0|1,0,1]=4 30199 B13R1.1887 C#CCCNCC1CCCCCC1 34a_100015204231_100000688953 [0,1,0,1,0,0|1,0,1]=4 30200 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100000699130_100000688953 [0,1,0,1,0,0|1,0,1]=4 30201 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100011215631_200000696569 [0,1,0,1,0,0|1,0,1]=4 30202 B13R1.1887 C#CCCOCC1CCCCCC1 7a_100000699130_100000688953 [0,1,0,1,0,0|1,0,1]=4 30203 B13R1.1887 C#CCCSCC1CCCCCC1 62a_100000688953_200000696569 [0,1,0,1,0,0|1,0,1]=4 30204 B13R1.1887 C#CCCSCC1CCCCCC1 62a_200000696569_100000688953 [0,1,0,1,0,0|1,0,1]=4 30205 B13R1.1887 C#CCNCCC1CCCCCC1 2230a_100011532351_100000038162 [0,1,0,1,0,0|1,0,1]=4 30206 B13R1.1887 C#CCNCCC1CCCCCC1 34a_100011532351_100000184674 [0,1,0,1,0,0|1,0,1]=4 30207 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [0,1,0,1,0,0|1,0,1]=4 30208 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [0,1,0,1,0,0|1,0,1]=4 30209 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [0,1,0,1,0,0|1,0,1]=4 30210 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [0,1,0,1,0,0|1,0,1]=4 30211 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [0,1,0,1,0,0|1,0,1]=4 30212 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [0,1,0,1,0,0|1,0,1]=4 30213 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [0,1,0,1,0,0|1,0,1]=4 30214 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [0,1,0,1,0,0|1,0,1]=4 30215 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [0,1,0,1,0,0|1,0,1]=4 30216 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [0,1,0,1,0,0|1,0,1]=4 30217 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [0,1,0,1,0,0|1,0,1]=4 30218 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [0,1,0,1,0,0|1,0,1]=4 30219 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [0,1,0,1,0,0|1,0,1]=4 30220 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [0,1,0,1,0,0|1,0,1]=4 30221 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [0,1,0,1,0,0|1,0,1]=4 30222 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [0,1,0,1,0,0|1,0,1]=4 30223 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [0,1,0,1,0,0|1,0,1]=4 30224 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [0,1,0,1,0,0|1,0,1]=4 30225 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [0,1,0,1,0,0|1,0,1]=4 30226 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [0,1,0,1,0,0|1,0,1]=4 30227 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [0,1,0,1,0,0|1,0,1]=4 30228 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [0,1,0,1,0,0|1,0,1]=4 30229 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [0,1,0,1,0,0|1,0,1]=4 30230 B13R1.1887 CCCCCCN1CCCCCC1 2230a_100000185865_100000210314 [0,1,0,1,0,0|1,0,0]=3 30231 B13R1.1887 CCCCCCN1CCCCCC1 269982a_100000185865_100000210757 [0,1,0,1,0,0|1,0,0]=3 30232 B13R1.1887 CCCCCCN1CCCCCC1 34a_100000185865_100000210314 [0,1,0,1,0,0|1,0,0]=3 30233 B13R1.1887 CCCCCCN1CCCOCC1 2230a_100000685342_100000210314 [0,1,0,1,0,0|2,0,0]=4 30234 B13R1.1887 CCCCCCN1CCCOCC1 269982a_100000685342_100000210757 [0,1,0,1,0,0|2,0,0]=4 30235 B13R1.1887 CCCCCCN1CCCOCC1 34a_100000685342_100000210314 [0,1,0,1,0,0|2,0,0]=4 30236 B13R1.1887 CCCCCNC1CCCCCC1 2230a_100000210984_100000210326 [0,1,0,1,0,0|1,0,0]=3 30237 B13R1.1887 CCCCCNC1CCCCCC1 270004a_100000209983_100000210131 [0,1,0,1,0,0|1,0,0]=3 30238 B13R1.1887 CCCCCNC1CCCCCC1 34a_100000210984_100000718602 [0,1,0,1,0,0|1,0,0]=3 30239 B13R1.1887 CCCCCNC1CCCNCC1 270004a_100000209983_100015187895 [0,1,0,1,0,0|2,0,0]=4 30240 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210253_100011217769 [0,1,0,1,0,0|1,0,0]=3 30241 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210887_100000718602 [0,1,0,1,0,0|1,0,0]=3 30242 B13R1.1887 CCCCCOC1CCCCCC1 7a_100000210887_100000210326 [0,1,0,1,0,0|1,0,0]=3 30243 B13R1.1887 CCCCCSC1CCCCCC1 62a_100000210326_100011217769 [0,1,0,1,0,0|1,0,0]=3 30244 B13R1.1887 CCCCCSC1CCCCCC1 62a_100011217769_100000210326 [0,1,0,1,0,0|1,0,0]=3 30245 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100000102301_200000696569 [0,1,0,1,0,0|1,0,0]=3 30246 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100015204231_100000210211 [0,1,0,1,0,0|1,0,0]=3 30247 B13R1.1887 CCCCNCC1CCCCCC1 269862a_100000102301_200000763224 [0,1,0,1,0,0|1,0,0]=3 30248 B13R1.1887 CCCCNCC1CCCCCC1 34a_100015204231_100000210210 [0,1,0,1,0,0|1,0,0]=3 30249 B13R1.1887 CCCCNCC1CCCCCC1 7a_106832991798_200000696569 [0,1,0,1,0,0|1,0,0]=3 30250 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000210227_200000696569 [0,1,0,1,0,0|1,0,0]=3 30251 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000699130_100000210210 [0,1,0,1,0,0|1,0,0]=3 30252 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000210227_200000696569 [0,1,0,1,0,0|1,0,0]=3 30253 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000699130_100000210211 [0,1,0,1,0,0|1,0,0]=3 30254 B13R1.1887 CCCCOCC1CNCCOC1 34a_100103147999_100000210210 [0,1,0,1,0,0|2,0,0]=4 30255 B13R1.1887 CCCCOCN1CCCCCC1 2230a_100000185865_100011995733 [0,1,0,1,0,0|2,0,0]=4 30256 B13R1.1887 CCCCOCN1CCCCCC1 269982a_100000185865_100011995733 [0,1,0,1,0,0|2,0,0]=4 30257 B13R1.1887 CCCCOCN1CCCCCC1 34a_100000185865_100011995733 [0,1,0,1,0,0|2,0,0]=4 30258 B13R1.1887 CCCCSCC1CCCCCC1 62a_100000210211_200000696569 [0,1,0,1,0,0|1,0,0]=3 30259 B13R1.1887 CCCCSCC1CCCCCC1 62a_200000696569_100000210210 [0,1,0,1,0,0|1,0,0]=3 30260 B13R1.1887 CCCNCCC1CCCCCC1 2230a_100011532351_100000210303 [0,1,0,1,0,0|1,0,0]=3 30261 B13R1.1887 CCCNCCC1CCCCCC1 34a_100011532351_100000210303 [0,1,0,1,0,0|1,0,0]=3 30262 B13R1.1887 CCCOCCN1CCCCCC1 2230a_100000185865_100011215938 [0,1,0,1,0,0|2,0,0]=4 30263 B13R1.1887 CCCOCCN1CCCCCC1 269982a_100000185865_100011215938 [0,1,0,1,0,0|2,0,0]=4 30264 B13R1.1887 CCCOCCN1CCCCCC1 34a_100000185865_100011215938 [0,1,0,1,0,0|2,0,0]=4 30265 B13R1.1887 CCCOCCN1CCCCCC1 34a_100000238007_100000210303 [0,1,0,1,0,0|2,0,0]=4 30266 B13R1.1887 CCCSCCN1CCCCCC1 62a_100000210303_100000722644 [0,1,0,1,0,0|2,0,0]=4 30267 B13R1.1887 CCCSCCN1CCCCCC1 62a_100000722644_100000210303 [0,1,0,1,0,0|2,0,0]=4 30268 B13R1.1887 CCOCCCN1CCCCCC1 2230a_100000185865_100012232248 [0,1,0,1,0,0|2,0,0]=4 30269 B13R1.1887 CCOCCCN1CCCCCC1 269982a_100000185865_100012232248 [0,1,0,1,0,0|2,0,0]=4 30270 B13R1.1887 CCOCCCN1CCCCCC1 34a_100000185865_100012232248 [0,1,0,1,0,0|2,0,0]=4 30271 B13R1.1887 CCOCCCN1CCCCCC1 34a_100102886287_100000210202 [0,1,0,1,0,0|2,0,0]=4 30272 B13R1.1887 CCOCCCN1CCCCCC1 7a_100102886287_100000210202 [0,1,0,1,0,0|2,0,0]=4 30273 B13R1.1887 CCOCCNC1CCCCCC1 2230a_100000210984_100011215890 [0,1,0,1,0,0|2,0,0]=4 30274 B13R1.1887 CCOCCNC1CCCCCC1 270004a_102516460346_100000210131 [0,1,0,1,0,0|2,0,0]=4 30275 B13R1.1887 CCOCCNC1CCCCCC1 34a_100000210984_100000210147 [0,1,0,1,0,0|2,0,0]=4 30276 B13R1.1887 CCOCCNC1CCCCCC1 34a_102516460346_100011217769 [0,1,0,1,0,0|2,0,0]=4 30277 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210136_100011217769 [0,1,0,1,0,0|2,0,0]=4 30278 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210887_100000210147 [0,1,0,1,0,0|2,0,0]=4 30279 B13R1.1887 CCOCCOC1CCCCCC1 7a_100000210887_100011215890 [0,1,0,1,0,0|2,0,0]=4 30280 B13R1.1887 CCOCCSC1CCCCCC1 62a_100000210147_100011217769 [0,1,0,1,0,0|2,0,0]=4 30281 B13R1.1887 CCOCCSC1CCCCCC1 62a_100011217769_100011215890 [0,1,0,1,0,0|2,0,0]=4 30282 B13R1.1887 CCOCSCC1CCCCCC1 62a_100000739092_200000696569 [0,1,0,1,0,0|2,0,0]=4 30283 B13R1.1887 CCOCSCC1CCCCCC1 62a_200000696569_100000739092 [0,1,0,1,0,0|2,0,0]=4 30284 B13R1.1887 CCSCCNC1CCCCCC1 2230a_100000210984_100000757381 [0,1,0,1,0,0|2,0,0]=4 30285 B13R1.1887 CCSCCNC1CCCCCC1 270004a_100000106463_100000210131 [0,1,0,1,0,0|2,0,0]=4 30286 B13R1.1887 CCSCCNC1CCCCCC1 34a_100000210984_100000757381 [0,1,0,1,0,0|2,0,0]=4 30287 B13R1.1887 CCSCCOC1CCCCCC1 34a_100000210887_100000757381 [0,1,0,1,0,0|2,0,0]=4 30288 B13R1.1887 CCSCCOC1CCCCCC1 34a_100000212035_100011217769 [0,1,0,1,0,0|2,0,0]=4 30289 B13R1.1887 CCSCCOC1CCCCCC1 7a_100000210887_100000757381 [0,1,0,1,0,0|2,0,0]=4 30290 B13R1.1887 CCSCCSC1CCCCCC1 62a_100000757381_100011217769 [0,1,0,1,0,0|2,0,0]=4 30291 B13R1.1887 CCSCCSC1CCCCCC1 62a_100011217769_100000757381 [0,1,0,1,0,0|2,0,0]=4 30292 B13R1.1887 CNCCCOC1CCCCCC1 34a_100000213112_100011217769 [0,1,0,1,0,0|2,0,0]=4 30293 B13R1.1887 COCCCCN1CCCCCC1 2230a_100000185865_100000730899 [0,1,0,1,0,0|1,0,0]=3 30294 B13R1.1887 COCCCCN1CCCCCC1 269982a_100000185865_100000730899 [0,1,0,1,0,0|1,0,0]=3 30295 B13R1.1887 COCCCCN1CCCCCC1 34a_100000185865_100000755781 [0,1,0,1,0,0|1,0,0]=3 30296 B13R1.1887 COCCCCN1CCCCCC1 34a_100011305542_200000210301 [0,1,0,1,0,0|1,0,0]=3 30297 B13R1.1887 COCCCCN1CCCOCC1 2230a_100000685342_100000730899 [0,1,0,1,0,0|2,0,0]=4 30298 B13R1.1887 COCCCCN1CCCOCC1 269982a_100000685342_100000730899 [0,1,0,1,0,0|2,0,0]=4 30299 B13R1.1887 COCCCCN1CCCOCC1 34a_100000685342_100000755781 [0,1,0,1,0,0|2,0,0]=4 30300 B13R1.1887 COCCCNC1CCCCCC1 2230a_100000210984_100000740836 [0,1,0,1,0,0|1,0,0]=3 30301 B13R1.1887 COCCCNC1CCCCCC1 270004a_100150723488_100000210131 [0,1,0,1,0,0|1,0,0]=3 30302 B13R1.1887 COCCCNC1CCCCCC1 34a_100000210984_100000740836 [0,1,0,1,0,0|1,0,0]=3 30303 B13R1.1887 COCCCNC1CCCCCC1 34a_100150723488_100011217769 [0,1,0,1,0,0|1,0,0]=3 30304 B13R1.1887 COCCCNC1CCCNCC1 270004a_100150723488_100015187895 [0,1,0,1,0,0|2,0,0]=4 30305 B13R1.1887 COCCCOC1CCCCCC1 34a_100000210887_100000740836 [0,1,0,1,0,0|1,0,0]=3 30306 B13R1.1887 COCCCOC1CCCCCC1 34a_100000740835_100011217769 [0,1,0,1,0,0|1,0,0]=3 30307 B13R1.1887 COCCCOC1CCCCCC1 7a_100000210887_100000740836 [0,1,0,1,0,0|1,0,0]=3 30308 B13R1.1887 COCCCSC1CCCCCC1 62a_100000709357_100011217769 [0,1,0,1,0,0|1,0,0]=3 30309 B13R1.1887 COCCCSC1CCCCCC1 62a_100011217769_100000709357 [0,1,0,1,0,0|1,0,0]=3 30310 B13R1.1887 COCCNCC1CCCCCC1 2230a_100000209980_200000696569 [0,1,0,1,0,0|1,0,0]=3 30311 B13R1.1887 COCCNCC1CCCCCC1 2230a_100015204231_100011201679 [0,1,0,1,0,0|1,0,0]=3 30312 B13R1.1887 COCCNCC1CCCCCC1 269862a_100000209980_200000763224 [0,1,0,1,0,0|1,0,0]=3 30313 B13R1.1887 COCCNCC1CCCCCC1 34a_100015204231_100011201679 [0,1,0,1,0,0|1,0,0]=3 30314 B13R1.1887 COCCOCC1CCCCCC1 34a_100000210237_200000696569 [0,1,0,1,0,0|1,0,0]=3 30315 B13R1.1887 COCCOCC1CCCCCC1 34a_100000699130_100011201679 [0,1,0,1,0,0|1,0,0]=3 30316 B13R1.1887 COCCOCC1CCCCCC1 7a_100000699130_100000233755 [0,1,0,1,0,0|1,0,0]=3 30317 B13R1.1887 COCCOCN1CCCCCC1 2230a_100000185865_100000231047 [0,1,0,1,0,0|2,0,0]=4 30318 B13R1.1887 COCCOCN1CCCCCC1 269982a_100000185865_100000231047 [0,1,0,1,0,0|2,0,0]=4 30319 B13R1.1887 COCCSCC1CCCCCC1 62a_100000233755_200000696569 [0,1,0,1,0,0|1,0,0]=3 30320 B13R1.1887 COCCSCC1CCCCCC1 62a_200000696569_100000233755 [0,1,0,1,0,0|1,0,0]=3 30321 B13R1.1887 COCNCCC1CCCCCC1 2230a_100011532351_100000766300 [0,1,0,1,0,0|1,0,0]=3 30322 B13R1.1887 COCSCCN1CCCCCC1 62a_100000722644_100000766300 [0,1,0,1,0,0|2,0,0]=4 30323 B13R1.1887 COCSCCN1CCCCCC1 62a_100000766300_100000722644 [0,1,0,1,0,0|2,0,0]=4 30324 B13R1.1887 CSCCCNC1CCCCCC1 270004a_100000749238_100000210131 [0,1,0,1,0,0|1,1,0]=4 30325 B13R1.1887 CSCCCOC1CCCCCC1 34a_100000690336_100011217769 [0,1,0,1,0,0|1,1,0]=4 30326 B13R1.1887 CSCCNCC1CCCCCC1 2230a_100015204231_100000751147 [0,1,0,1,0,0|1,1,0]=4 30327 B13R1.1887 CSCCNCC1CCCCCC1 2230a_100020590264_200000696569 [0,1,0,1,0,0|1,1,0]=4 30328 B13R1.1887 CSCCNCC1CCCCCC1 269862a_100020590264_200000763224 [0,1,0,1,0,0|1,1,0]=4 30329 B13R1.1887 CSCCNCC1CCCCCC1 34a_100015204231_100000212216 [0,1,0,1,0,0|1,1,0]=4 30330 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000230434_200000696569 [0,1,0,1,0,0|1,1,0]=4 30331 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000699130_100000212216 [0,1,0,1,0,0|1,1,0]=4 30332 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000230434_200000696569 [0,1,0,1,0,0|1,1,0]=4 30333 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000699130_100000212216 [0,1,0,1,0,0|1,1,0]=4 30334 B13R1.1887 CSCCSCC1CCCCCC1 62a_100000212216_200000696569 [0,1,0,1,0,0|1,1,0]=4 30335 B13R1.1887 CSCCSCC1CCCCCC1 62a_200000696569_100000751147 [0,1,0,1,0,0|1,1,0]=4 30336 B13R1.1887 CSCNCCC1CCCCCC1 2230a_100011532351_100011218213 [0,1,0,1,0,0|1,1,0]=4 30337 B13R1.1887 CSCNCCC1CCCCCC1 34a_100011532351_100011218213 [0,1,0,1,0,0|1,1,0]=4 30338 B13R1.1887 ClCCCCOC1CCCCCC1 34a_100000210776_100011217769 [0,1,0,1,0,0|1,0,0]=3 30339 B13R1.1887 ClCCCOCC1CCCCCC1 34a_100000230001_200000696569 [0,1,0,1,0,0|1,0,0]=3 30340 B13R1.1887 FCCCCCN1CCCCCC1 2230a_100000185865_100000729378 [0,1,0,1,0,0|1,0,0]=3 30341 B13R1.1887 FCCCCCN1CCCCCC1 269982a_100000185865_100000729378 [0,1,0,1,0,0|1,0,0]=3 30342 B13R1.1887 FCCCCCN1CCCCCC1 34a_100000185865_100000729378 [0,1,0,1,0,0|1,0,0]=3 30343 B13R1.1887 FCCCCCN1CCCOCC1 2230a_100000685342_100000729378 [0,1,0,1,0,0|2,0,0]=4 30344 B13R1.1887 FCCCCCN1CCCOCC1 269982a_100000685342_100000729378 [0,1,0,1,0,0|2,0,0]=4 30345 B13R1.1887 FCCCCCN1CCCOCC1 34a_100000685342_100000729378 [0,1,0,1,0,0|2,0,0]=4 30346 B13R1.1887 FCCCCNC1CCCCCC1 2230a_100000210984_100000729493 [0,1,0,1,0,0|1,0,0]=3 30347 B13R1.1887 FCCCCNC1CCCCCC1 34a_100000210984_100000729493 [0,1,0,1,0,0|1,0,0]=3 30348 B13R1.1887 FCCCCOC1CCCCCC1 34a_100000210887_100000729493 [0,1,0,1,0,0|1,0,0]=3 30349 B13R1.1887 FCCCCOC1CCCCCC1 34a_100011995726_100011217769 [0,1,0,1,0,0|1,0,0]=3 30350 B13R1.1887 FCCCCOC1CCCCCC1 7a_100000210887_100000729493 [0,1,0,1,0,0|1,0,0]=3 30351 B13R1.1887 FCCCCSC1CCCCCC1 62a_100000729493_100011217769 [0,1,0,1,0,0|1,0,0]=3 30352 B13R1.1887 FCCCCSC1CCCCCC1 62a_100011217769_100000729493 [0,1,0,1,0,0|1,0,0]=3 30353 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015189416_200000696569 [0,1,0,1,0,0|1,0,0]=3 30354 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015204231_100011934791 [0,1,0,1,0,0|1,0,0]=3 30355 B13R1.1887 FCCCNCC1CCCCCC1 269862a_100015189416_200000763224 [0,1,0,1,0,0|1,0,0]=3 30356 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015189416_200000696569 [0,1,0,1,0,0|1,0,0]=3 30357 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015204231_100011934791 [0,1,0,1,0,0|1,0,0]=3 30358 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000699130_100011934791 [0,1,0,1,0,0|1,0,0]=3 30359 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000759539_200000696569 [0,1,0,1,0,0|1,0,0]=3 30360 B13R1.1887 FCCCOCC1CCCCCC1 7a_100000699130_100011934791 [0,1,0,1,0,0|1,0,0]=3 30361 B13R1.1887 FCCCSCC1CCCCCC1 62a_100011934791_200000696569 [0,1,0,1,0,0|1,0,0]=3 30362 B13R1.1887 FCCCSCC1CCCCCC1 62a_200000696569_100011934791 [0,1,0,1,0,0|1,0,0]=3 30363 B13R1.1887 FCCNCCC1CCCCCC1 2230a_100011532351_100011217306 [0,1,0,1,0,0|1,0,0]=3 30364 B13R1.1887 FCCNCCC1CCCCCC1 34a_100011532351_100011217306 [0,1,0,1,0,0|1,0,0]=3 30365 B13R1.1887 FCCOCCN1CCCCCC1 34a_100000238007_100011217306 [0,1,0,1,0,0|2,0,0]=4 30366 B13R1.1887 FCCSCCN1CCCCCC1 62a_100000722644_100011217306 [0,1,0,1,0,0|2,0,0]=4 30367 B13R1.1887 FCCSCCN1CCCCCC1 62a_100011217306_100000722644 [0,1,0,1,0,0|2,0,0]=4 30368 B13R1.1887 FCOCCCN1CCCCCC1 34a_100102886287_100015361967 [0,1,0,1,0,0|2,0,0]=4 30369 B13R1.1887 FCOCCCN1CCCCCC1 7a_100102886287_100015361967 [0,1,0,1,0,0|2,0,0]=4 30370 B13R1.1887 ICCCCOC1CCCCCC1 34a_200012148704_100011217769 [0,1,0,1,0,0|1,0,0]=3 30371 B13R1.1887 N#CCCCCN1CCCCCC1 2230a_100000185865_100000211819 [0,1,0,1,0,0|1,0,1]=4 30372 B13R1.1887 N#CCCCCN1CCCCCC1 269982a_100000185865_100011219923 [0,1,0,1,0,0|1,0,1]=4 30373 B13R1.1887 N#CCCCNC1CCCCCC1 2230a_100000210984_100000687738 [0,1,0,1,0,0|1,0,1]=4 30374 B13R1.1887 N#CCCCOC1CCCCCC1 7a_100000210887_100000687738 [0,1,0,1,0,0|1,0,1]=4 30375 B13R1.1887 N#CCCCSC1CCCCCC1 62a_100000687738_100011217769 [0,1,0,1,0,0|1,0,1]=4 30376 B13R1.1887 N#CCCCSC1CCCCCC1 62a_100011217769_100000687738 [0,1,0,1,0,0|1,0,1]=4 30377 B13R1.1887 N#CCCNCC1CCCCCC1 2230a_100015204231_100011215226 [0,1,0,1,0,0|1,0,1]=4 30378 B13R1.1887 N#CCCOCC1CCCCCC1 7a_100000699130_100000184422 [0,1,0,1,0,0|1,0,1]=4 30379 B13R1.1887 N#CCCSCC1CCCCCC1 62a_100011215226_200000696569 [0,1,0,1,0,0|1,0,1]=4 30380 B13R1.1887 N#CCCSCC1CCCCCC1 62a_200000696569_100011215226 [0,1,0,1,0,0|1,0,1]=4 30381 B13R1.1887 N#CCNCCC1CCCCCC1 2230a_100011532351_100011215382 [0,1,0,1,0,0|1,0,1]=4 30382 B13R1.1887 NCCCCOC1CCCCCC1 34a_100000750430_100011217769 [0,1,0,1,0,0|1,0,0]=3 30383 B13R1.1887 NCCCOCC1CCCCCC1 34a_100000182051_200000696569 [0,1,0,1,0,0|1,0,0]=3 30384 B13R1.1887 NOCCOCC1CCCCCC1 34a_100000700252_200000696569 [0,1,0,1,0,0|1,0,0]=3 30385 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [0,1,0,1,0,0|0,0,2]=4 30386 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [0,1,0,1,0,0|0,0,2]=4 30387 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [0,1,0,1,0,0|0,0,2]=4 30388 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [0,1,0,1,0,0|0,0,2]=4 30389 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [0,1,0,1,0,0|0,0,2]=4 30390 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [0,1,0,1,0,0|0,0,2]=4 30391 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [0,1,0,1,0,0|0,0,2]=4 30392 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [0,1,0,1,0,0|0,0,2]=4 30393 B13R1.1887 OCC#CCNC1CCCCCC1 2230a_100000210984_200000047223 [0,1,0,1,0,0|0,0,2]=4 30394 B13R1.1887 OCC#CCNC1CCCCCC1 34a_100000210984_200000047223 [0,1,0,1,0,0|0,0,2]=4 30395 B13R1.1887 OCC#CCOC1CCCCCC1 34a_100000210887_200000047223 [0,1,0,1,0,0|0,0,2]=4 30396 B13R1.1887 OCC#CCOC1CCCCCC1 7a_100000210887_200000047223 [0,1,0,1,0,0|0,0,2]=4 30397 B13R1.1887 OCC#CCSC1CCCCCC1 62a_100011217769_200000047223 [0,1,0,1,0,0|0,0,2]=4 30398 B13R1.1887 OCC#CCSC1CCCCCC1 62a_200000047223_100011217769 [0,1,0,1,0,0|0,0,2]=4 30399 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [0,1,0,1,0,0|0,0,0]=2 30400 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [0,1,0,1,0,0|0,0,0]=2 30401 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [0,1,0,1,0,0|0,0,0]=2 30402 B13R1.1887 OCCCCCN1CCCOCC1 2230a_100000685342_100000746330 [0,1,0,1,0,0|1,0,0]=3 30403 B13R1.1887 OCCCCCN1CCCOCC1 269982a_100000685342_100000746330 [0,1,0,1,0,0|1,0,0]=3 30404 B13R1.1887 OCCCCCN1CCCOCC1 34a_100000685342_100000746330 [0,1,0,1,0,0|1,0,0]=3 30405 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [0,1,0,1,0,0|0,0,0]=2 30406 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [0,1,0,1,0,0|0,0,0]=2 30407 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [0,1,0,1,0,0|0,0,0]=2 30408 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [0,1,0,1,0,0|0,0,0]=2 30409 B13R1.1887 OCCCCNC1CCCNCC1 270004a_100000750430_100015187895 [0,1,0,1,0,0|1,0,0]=3 30410 B13R1.1887 OCCCCNC1CSCCSC1 270004a_100000750430_100000068409 [0,1,0,1,0,0|2,0,0]=4 30411 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [0,1,0,1,0,0|0,0,0]=2 30412 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [0,1,0,1,0,0|0,0,0]=2 30413 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [0,1,0,1,0,0|0,0,0]=2 30414 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [0,1,0,1,0,0|0,0,0]=2 30415 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [0,1,0,1,0,0|0,0,0]=2 30416 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [0,1,0,1,0,0|0,0,0]=2 30417 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [0,1,0,1,0,0|0,0,0]=2 30418 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [0,1,0,1,0,0|0,0,0]=2 30419 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [0,1,0,1,0,0|0,0,0]=2 30420 B13R1.1887 OCCCOCC1CNCCOC1 34a_100103147999_100000230001 [0,1,0,1,0,0|2,0,0]=4 30421 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [0,1,0,1,0,0|0,0,0]=2 30422 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [0,1,0,1,0,0|0,0,0]=2 30423 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [0,1,0,1,0,0|0,0,0]=2 30424 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [0,1,0,1,0,0|0,0,0]=2 30425 B13R1.1887 OCCNN=CC1CCCCCC1 4a_100000210001_200000763224 [0,1,0,1,0,0|1,0,1]=4 30426 B13R1.1887 OCCOCCN1CCCCCC1 2230a_100000185865_100011215305 [0,1,0,1,0,0|1,0,0]=3 30427 B13R1.1887 OCCOCCN1CCCCCC1 269982a_100000185865_100011215305 [0,1,0,1,0,0|1,0,0]=3 30428 B13R1.1887 OCCOCCN1CCCCCC1 34a_100000185865_100000692535 [0,1,0,1,0,0|1,0,0]=3 30429 B13R1.1887 OCCOCCN1CCCCCC1 34a_100000238007_100000211926 [0,1,0,1,0,0|1,0,0]=3 30430 B13R1.1887 OCCOCCN1CCCOCC1 2230a_100000685342_100011215305 [0,1,0,1,0,0|2,0,0]=4 30431 B13R1.1887 OCCOCCN1CCCOCC1 269982a_100000685342_100011215305 [0,1,0,1,0,0|2,0,0]=4 30432 B13R1.1887 OCCOCCN1CCCOCC1 34a_100000685342_100000692535 [0,1,0,1,0,0|2,0,0]=4 30433 B13R1.1887 OCCSCCN1CCCCCC1 62a_100000211926_100000722644 [0,1,0,1,0,0|1,0,0]=3 30434 B13R1.1887 OCCSCCN1CCCCCC1 62a_100000722644_100000211926 [0,1,0,1,0,0|1,0,0]=3 30435 B13R1.1887 [13CH3]OCCCCN1CCCCCC1 34a_100011305542_200025704644 [0,1,0,1,0,0|1,0,0]=3 30436 B13R1.24 CC(NCCCF)C1CCCCC1 269862a_100015189416_100000210989 [0,1,0,1,0,0|2,0,0]=4 30437 B13R1.24 CC(NCCCO)C1CCCCC1 269862a_100000182051_100000210989 [0,1,0,1,0,0|1,0,0]=3 30438 B13R1.24 CC(NCCCO)C1CCCCN1 269862a_100000182051_200011997754 [0,1,0,1,0,0|2,0,0]=4 30439 B13R1.24 CC(NCCCO)C1CCCNC1 269862a_100000182051_100011320585 [0,1,0,1,0,0|2,0,0]=4 30440 B13R1.24 CC(NCCCO)C1CCNCC1 269862a_100000182051_100015204191 [0,1,0,1,0,0|2,0,0]=4 30441 B13R1.24 CC(NCCCO)C1CCOCC1 269862a_100000182051_100000759496 [0,1,0,1,0,0|2,0,0]=4 30442 B13R1.24 CC(OCCCF)C1CCCCC1 34a_100011216961_100011934791 [0,1,0,1,0,0|2,0,0]=4 30443 B13R1.24 CC(OCCCF)C1CCCCC1 7a_100011216961_100011934791 [0,1,0,1,0,0|2,0,0]=4 30444 B13R1.24 CC(OCCCO)C1CCCCC1 34a_100011216961_100000230001 [0,1,0,1,0,0|1,0,0]=3 30445 B13R1.24 CC(OCCCO)C1CCCCC1 7a_100011216961_100011215043 [0,1,0,1,0,0|1,0,0]=3 30446 B13R1.24 CC(OCCCO)C1CCCNC1 34a_100000740858_100000230001 [0,1,0,1,0,0|2,0,0]=4 30447 B13R1.24 CC(OCCCO)C1CCNCC1 34a_100011728446_100000230001 [0,1,0,1,0,0|2,0,0]=4 30448 B13R1.24 CCCCCC(=O)C1CCCCC1 1458a_100000210647_100000210326 [0,1,0,1,0,0|1,0,1]=4 30449 B13R1.24 CCCCCC(=O)C1CCCCC1 1458a_100000212188_100000210327 [0,1,0,1,0,0|1,0,1]=4 30450 B13R1.24 CCCCCC(=O)C1CCCCO1 1458a_100000748299_100000210326 [0,1,0,1,0,0|0,0,1]=3 30451 B13R1.24 CCCCCC(=O)C1COCCO1 1458a_100000045528_100000210326 [0,1,0,1,0,0|1,0,1]=4 30452 B13R1.24 CCCCCN(C)C1CCCCC1 2230a_100000207522_100000210326 [0,1,0,1,0,0|2,0,0]=4 30453 B13R1.24 CCCCCN(C)C1CCCCC1 269982a_100000207522_100000210215 [0,1,0,1,0,0|2,0,0]=4 30454 B13R1.24 CCCCCN(C)C1CCCCC1 269982a_100000223495_100000210327 [0,1,0,1,0,0|2,0,0]=4 30455 B13R1.24 CCCCCN(C)C1CCCCC1 270004a_100000223495_100000210434 [0,1,0,1,0,0|2,0,0]=4 30456 B13R1.24 CCCCCN(C)C1CCCCC1 34a_100000207522_100000718602 [0,1,0,1,0,0|2,0,0]=4 30457 B13R1.24 CCCCNC(=O)C1CCCCO1 11a_100000102301_100000748299 [0,1,0,1,0,0|1,0,1]=4 30458 B13R1.24 CCCCNC(=O)C1CCCCO1 1626a_100000102301_100000748299 [0,1,0,1,0,0|1,0,1]=4 30459 B13R1.24 CCCCNC(=O)C1CCCCO1 240690a_100000102301_100000748299 [0,1,0,1,0,0|1,0,1]=4 30460 B13R1.24 CCCCNC(=O)C1CCCCO1 527a_100000102301_100000748299 [0,1,0,1,0,0|1,0,1]=4 30461 B13R1.24 CCCCNC(C)C1CCCCC1 269862a_100000102301_100000210989 [0,1,0,1,0,0|2,0,0]=4 30462 B13R1.24 CCCCNC(C)C1CCCCN1 269862a_100000102301_200011997754 [0,1,0,1,0,0|2,0,0]=4 30463 B13R1.24 CCCCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210211 [0,1,0,1,0,0|2,0,0]=4 30464 B13R1.24 CCCCN[C@H](C)C1CCCCC1 34a_100025707633_100000210210 [0,1,0,1,0,0|2,0,0]=4 30465 B13R1.24 CCCCOC(C)C1CCCCC1 34a_100011216961_100000210210 [0,1,0,1,0,0|2,0,0]=4 30466 B13R1.24 CCCCOC(C)C1CCCCC1 7a_100011216961_100000210211 [0,1,0,1,0,0|2,0,0]=4 30467 B13R1.24 CCCOC[C@H](N)C1CCCCC1 34a_100009817630_100000210303 [0,1,0,1,0,0|2,0,0]=4 30468 B13R1.24 CCOCCC(=O)C1CCCCO1 1458a_100000748299_100011215890 [0,1,0,1,0,0|1,0,1]=4 30469 B13R1.24 CCOCCC(N)C1CCCCC1 34a_200020622111_100000210202 [0,1,0,1,0,0|2,0,0]=4 30470 B13R1.24 CCSCCC(=O)C1CCCCO1 1458a_100000748299_100000757381 [0,1,0,1,0,0|1,0,1]=4 30471 B13R1.24 CN(CCCCF)C1CCCCC1 2230a_100000207522_100000729493 [0,1,0,1,0,0|2,0,0]=4 30472 B13R1.24 CN(CCCCF)C1CCCCC1 269982a_100000207522_100000729493 [0,1,0,1,0,0|2,0,0]=4 30473 B13R1.24 CN(CCCCF)C1CCCCC1 34a_100000207522_100000729493 [0,1,0,1,0,0|2,0,0]=4 30474 B13R1.24 CN(CCCCO)C1CCCCC1 2230a_100000207522_100000210776 [0,1,0,1,0,0|1,0,0]=3 30475 B13R1.24 CN(CCCCO)C1CCCCC1 269982a_100000207522_100000210776 [0,1,0,1,0,0|1,0,0]=3 30476 B13R1.24 CN(CCCCO)C1CCCCC1 269982a_100000717598_100000210327 [0,1,0,1,0,0|1,0,0]=3 30477 B13R1.24 CN(CCCCO)C1CCCCC1 270004a_100000717598_100000210434 [0,1,0,1,0,0|1,0,0]=3 30478 B13R1.24 CN(CCCCO)C1CCCCC1 34a_100000207522_100011216708 [0,1,0,1,0,0|1,0,0]=3 30479 B13R1.24 CN(CCCCO)C1CCCOC1 269982a_100000717598_100000693364 [0,1,0,1,0,0|2,0,0]=4 30480 B13R1.24 CN(CCCCO)C1CCCOC1 270004a_100000717598_100000753404 [0,1,0,1,0,0|2,0,0]=4 30481 B13R1.24 CN(CCCCO)C1CCCSC1 270004a_100000717598_100000057913 [0,1,0,1,0,0|2,0,0]=4 30482 B13R1.24 CN(CCCCO)C1CCNCC1 270004a_100000717598_100015192401 [0,1,0,1,0,0|2,0,0]=4 30483 B13R1.24 CN(CCCCO)C1CCOCC1 2230a_100020587155_100000210776 [0,1,0,1,0,0|2,0,0]=4 30484 B13R1.24 CN(CCCCO)C1CCOCC1 269982a_100000717598_100011324220 [0,1,0,1,0,0|2,0,0]=4 30485 B13R1.24 CN(CCCCO)C1CCOCC1 269982a_100020587155_100000210776 [0,1,0,1,0,0|2,0,0]=4 30486 B13R1.24 CN(CCCCO)C1CCOCC1 270004a_100000717598_100011217826 [0,1,0,1,0,0|2,0,0]=4 30487 B13R1.24 CN(CCCCO)C1CCOCC1 34a_100020587155_100011216708 [0,1,0,1,0,0|2,0,0]=4 30488 B13R1.24 CN(CCCCO)C1CCSCC1 2230a_100015184757_100000210776 [0,1,0,1,0,0|2,0,0]=4 30489 B13R1.24 CN(CCCCO)C1CCSCC1 269982a_100000717598_100000069128 [0,1,0,1,0,0|2,0,0]=4 30490 B13R1.24 CN(CCCCO)C1CCSCC1 269982a_100015184757_100000210776 [0,1,0,1,0,0|2,0,0]=4 30491 B13R1.24 CN(CCCCO)C1CCSCC1 270004a_100000717598_100000203788 [0,1,0,1,0,0|2,0,0]=4 30492 B13R1.24 CN(CCCCO)C1CCSCC1 34a_100015184757_100011216708 [0,1,0,1,0,0|2,0,0]=4 30493 B13R1.24 COCCCC(=O)C1CCCCO1 1458a_100000748299_100000740836 [0,1,0,1,0,0|1,0,1]=4 30494 B13R1.24 C[C@@H](NCCCF)C1CCCCC1 2230a_100025707633_100011934791 [0,1,0,1,0,0|2,0,0]=4 30495 B13R1.24 C[C@@H](NCCCF)C1CCCCC1 34a_100025707633_100011934791 [0,1,0,1,0,0|2,0,0]=4 30496 B13R1.24 C[C@@H](NCCCO)C1CCCCC1 2230a_100025707633_100000230001 [0,1,0,1,0,0|1,0,0]=3 30497 B13R1.24 C[C@@H](NCCCO)C1CCCCC1 34a_100025707633_100000230001 [0,1,0,1,0,0|1,0,0]=3 30498 B13R1.24 C[C@@H](OCCCO)C1CCOCC1 34a_100000703848_100000230001 [0,1,0,1,0,0|2,0,0]=4 30499 B13R1.24 C[C@@H](OCCCO)C1CCOCC1 7a_100000703848_100011215043 [0,1,0,1,0,0|2,0,0]=4 30500 B13R1.24 NC(CCOCF)C1CCCCC1 34a_200020622111_100015361967 [0,1,0,1,0,0|2,0,0]=4 30501 B13R1.24 N[C@@H](COCCF)C1CCCCC1 34a_100009817630_100011217306 [0,1,0,1,0,0|2,0,0]=4 30502 B13R1.24 N[C@@H](COCCO)C1CCCCC1 34a_100009817630_100000211926 [0,1,0,1,0,0|1,0,0]=3 30503 B13R1.24 O=C(CCCCF)C1CCCCC1 1458a_100000210647_100000729493 [0,1,0,1,0,0|1,0,1]=4 30504 B13R1.24 O=C(CCCCF)C1CCCCO1 1458a_100000748299_100000729493 [0,1,0,1,0,0|1,0,1]=4 30505 B13R1.24 O=C(CCCCO)C1CCCCC1 1458a_100000210647_100000210776 [0,1,0,1,0,0|0,0,1]=3 30506 B13R1.24 O=C(CCCCO)C1CCCCC1 1458a_100000695505_100000210327 [0,1,0,1,0,0|0,0,1]=3 30507 B13R1.24 O=C(CCCCO)C1CCCCO1 1458a_100000748299_100000210776 [0,1,0,1,0,0|1,0,1]=4 30508 B13R1.24 O=C(CCCCO)C1CCCOC1 1458a_100000695505_100000693364 [0,1,0,1,0,0|1,0,1]=4 30509 B13R1.24 O=C(CCCCO)C1CCCOC1 1458a_100000741522_100000210776 [0,1,0,1,0,0|1,0,1]=4 30510 B13R1.24 O=C(CCCCO)C1CCOCC1 1458a_100000195482_100000210776 [0,1,0,1,0,0|1,0,1]=4 30511 B13R1.24 O=C(CCCCO)C1CCOCC1 1458a_100000695505_100011324220 [0,1,0,1,0,0|1,0,1]=4 30512 B13R1.24 O=C(CCCCO)C1CCSCC1 1458a_100000755232_100000210776 [0,1,0,1,0,0|1,0,1]=4 30513 B13R1.24 O=C(CNCCO)C1CCCCC1 2230a_100016997473_100000241979 [0,1,0,1,0,0|1,0,1]=4 30514 B13R1.24 O=C(CNCCO)C1CCCCC1 34a_100016990907_100000241979 [0,1,0,1,0,0|1,0,1]=4 30515 B13R1.24 O=C(COCCO)C1CCCCC1 1458a_100000708028_100000210327 [0,1,0,1,0,0|1,0,1]=4 30516 B13R1.24 O=C(CSCCO)C1CCCCC1 62a_100000211926_100000241979 [0,1,0,1,0,0|1,0,1]=4 30517 B13R1.24 O=C(CSCCO)C1CCCCC1 62a_100000241979_100000211926 [0,1,0,1,0,0|1,0,1]=4 30518 B13R1.24 O=C(NCCCO)C1CCCCC1 240690a_100000182051_100000210647 [0,1,0,1,0,0|1,0,1]=4 30519 B13R1.24 O=C(NCCCO)C1CCCCC1 527a_100000182051_100000210647 [0,1,0,1,0,0|1,0,1]=4 30520 B13R1.48 CC(CCOCCO)N1CCCC1 34a_100011935070_100000211926 [0,1,0,1,0,0|2,0,0]=4 30521 B13R1.48 CC(CCOCCO)N1CCCC1 7a_100011935070_100000211926 [0,1,0,1,0,0|2,0,0]=4 30522 B13R1.48 CC(CSCCCO)N1CCCC1 62a_100011215043_200015187269 [0,1,0,1,0,0|2,0,0]=4 30523 B13R1.48 CC(CSCCCO)N1CCCC1 62a_200015187269_100011215043 [0,1,0,1,0,0|2,0,0]=4 30524 B13R1.48 CC(NCCCCF)C1CCCC1 2230a_100015185923_100000729493 [0,1,0,1,0,0|2,0,0]=4 30525 B13R1.48 CC(NCCCCF)C1CCCC1 34a_100015185923_100000729493 [0,1,0,1,0,0|2,0,0]=4 30526 B13R1.48 CC(NCCCCF)C1CCCO1 2230a_100025754208_100000729493 [0,1,0,1,0,0|2,0,0]=4 30527 B13R1.48 CC(NCCCCF)C1CCCO1 34a_100025754208_100000729493 [0,1,0,1,0,0|2,0,0]=4 30528 B13R1.48 CC(NCCCCO)C1CCCC1 2230a_100015185923_100000210776 [0,1,0,1,0,0|1,0,0]=3 30529 B13R1.48 CC(NCCCCO)C1CCCC1 269862a_100000750430_100000749594 [0,1,0,1,0,0|1,0,0]=3 30530 B13R1.48 CC(NCCCCO)C1CCCC1 270004a_100000750430_100000749594 [0,1,0,1,0,0|1,0,0]=3 30531 B13R1.48 CC(NCCCCO)C1CCCC1 34a_100015185923_100011216708 [0,1,0,1,0,0|1,0,0]=3 30532 B13R1.48 CC(NCCCCO)C1CCCO1 2230a_100025754208_100000210776 [0,1,0,1,0,0|2,0,0]=4 30533 B13R1.48 CC(NCCCCO)C1CCCO1 34a_100025754208_100011216708 [0,1,0,1,0,0|2,0,0]=4 30534 B13R1.48 CC(OCCCCF)C1CCCC1 34a_100011216366_100000729493 [0,1,0,1,0,0|2,0,0]=4 30535 B13R1.48 CC(OCCCCF)C1CCCC1 7a_100011216366_100000729493 [0,1,0,1,0,0|2,0,0]=4 30536 B13R1.48 CC(OCCCCO)C1CCCC1 34a_100011216366_100011216708 [0,1,0,1,0,0|1,0,0]=3 30537 B13R1.48 CC(OCCCCO)C1CCCC1 7a_100011216366_100000210776 [0,1,0,1,0,0|1,0,0]=3 30538 B13R1.48 CCCCCCC(=O)C1CCCC1 1458a_100000210718_100000210757 [0,1,0,1,0,0|1,0,1]=4 30539 B13R1.48 CCCCCCC(=O)C1CCCC1 1458a_100102632555_100000179811 [0,1,0,1,0,0|1,0,1]=4 30540 B13R1.48 CCCCCCC(=O)C1CCCS1 1458a_100012002731_100000210757 [0,1,0,1,0,0|0,1,1]=4 30541 B13R1.48 CCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210757 [0,1,0,1,0,0|0,0,1]=3 30542 B13R1.48 CCCCCCC(C)N1CCCC1 2230a_100000188435_100011215978 [0,1,0,1,0,0|2,0,0]=4 30543 B13R1.48 CCCCCCC(C)N1CCCC1 269982a_100000188435_100011215978 [0,1,0,1,0,0|2,0,0]=4 30544 B13R1.48 CCCCCCC(C)N1CCCC1 270004a_100000188435_100000210826 [0,1,0,1,0,0|2,0,0]=4 30545 B13R1.48 CCCCCCN(C)C1CCCC1 2230a_100000207505_100000210314 [0,1,0,1,0,0|2,0,0]=4 30546 B13R1.48 CCCCCCN(C)C1CCCC1 2230a_106256046315_100000179811 [0,1,0,1,0,0|2,0,0]=4 30547 B13R1.48 CCCCCCN(C)C1CCCC1 269982a_100000207505_100000210757 [0,1,0,1,0,0|2,0,0]=4 30548 B13R1.48 CCCCCCN(C)C1CCCC1 269982a_106256046315_100000179811 [0,1,0,1,0,0|2,0,0]=4 30549 B13R1.48 CCCCCCN(C)C1CCCC1 270004a_106256046315_100000210133 [0,1,0,1,0,0|2,0,0]=4 30550 B13R1.48 CCCCCCN(C)C1CCCC1 34a_100000207505_100000210314 [0,1,0,1,0,0|2,0,0]=4 30551 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 11a_100000209983_100000686382 [0,1,0,1,0,0|1,0,1]=4 30552 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 1626a_100000209983_100000686382 [0,1,0,1,0,0|1,0,1]=4 30553 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 240690a_100000209983_100000686382 [0,1,0,1,0,0|1,0,1]=4 30554 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 527a_100000209983_100000686382 [0,1,0,1,0,0|1,0,1]=4 30555 B13R1.48 CCCCCNC(C)C1CCCC1 2230a_100015185923_100000210326 [0,1,0,1,0,0|2,0,0]=4 30556 B13R1.48 CCCCCNC(C)C1CCCC1 269862a_100000209983_100000749594 [0,1,0,1,0,0|2,0,0]=4 30557 B13R1.48 CCCCCNC(C)C1CCCC1 270004a_100000209983_100000749594 [0,1,0,1,0,0|2,0,0]=4 30558 B13R1.48 CCCCCNC(C)C1CCCC1 34a_100015185923_100000718602 [0,1,0,1,0,0|2,0,0]=4 30559 B13R1.48 CCCCCNC(C)C1CCCO1 2230a_100025754208_100000210326 [0,1,0,1,0,0|1,0,0]=3 30560 B13R1.48 CCCCCNC(C)C1CCCO1 34a_100025754208_100000718602 [0,1,0,1,0,0|1,0,0]=3 30561 B13R1.48 CCCCCOC(C)C1CCCC1 34a_100011216366_100000718602 [0,1,0,1,0,0|2,0,0]=4 30562 B13R1.48 CCCCCOC(C)C1CCCC1 7a_100011216366_100000210326 [0,1,0,1,0,0|2,0,0]=4 30563 B13R1.48 CCCCOCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011995733 [0,1,0,1,0,0|1,0,1]=4 30564 B13R1.48 CCCOCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215938 [0,1,0,1,0,0|1,0,1]=4 30565 B13R1.48 CCOCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100012232248 [0,1,0,1,0,0|1,0,1]=4 30566 B13R1.48 CCOCCNC(C)C1CCCO1 2230a_100025754208_100011215890 [0,1,0,1,0,0|2,0,0]=4 30567 B13R1.48 CCOCCNC(C)C1CCCO1 34a_100025754208_100000210147 [0,1,0,1,0,0|2,0,0]=4 30568 B13R1.48 CCSCCNC(C)C1CCCO1 2230a_100025754208_100000757381 [0,1,0,1,0,0|2,0,0]=4 30569 B13R1.48 CCSCCNC(C)C1CCCO1 34a_100025754208_100000757381 [0,1,0,1,0,0|2,0,0]=4 30570 B13R1.48 CN(CCCCCF)C1CCCC1 2230a_100000207505_100000729378 [0,1,0,1,0,0|2,0,0]=4 30571 B13R1.48 CN(CCCCCF)C1CCCC1 269982a_100000207505_100000729378 [0,1,0,1,0,0|2,0,0]=4 30572 B13R1.48 CN(CCCCCF)C1CCCC1 34a_100000207505_100000729378 [0,1,0,1,0,0|2,0,0]=4 30573 B13R1.48 CN(CCCCCO)C1CCCC1 2230a_100000207505_100000746330 [0,1,0,1,0,0|1,0,0]=3 30574 B13R1.48 CN(CCCCCO)C1CCCC1 2230a_100000722520_100000179811 [0,1,0,1,0,0|1,0,0]=3 30575 B13R1.48 CN(CCCCCO)C1CCCC1 269982a_100000207505_100000746330 [0,1,0,1,0,0|1,0,0]=3 30576 B13R1.48 CN(CCCCCO)C1CCCC1 269982a_100000722520_100000179811 [0,1,0,1,0,0|1,0,0]=3 30577 B13R1.48 CN(CCCCCO)C1CCCC1 270004a_100000722520_100000210133 [0,1,0,1,0,0|1,0,0]=3 30578 B13R1.48 CN(CCCCCO)C1CCCC1 34a_100000207505_100000746330 [0,1,0,1,0,0|1,0,0]=3 30579 B13R1.48 CN(CCCCCO)C1CCOC1 2230a_100000722520_100000731011 [0,1,0,1,0,0|2,0,0]=4 30580 B13R1.48 CN(CCCCCO)C1CCOC1 2230a_100016988252_100000746330 [0,1,0,1,0,0|2,0,0]=4 30581 B13R1.48 CN(CCCCCO)C1CCOC1 269982a_100000722520_100000731011 [0,1,0,1,0,0|2,0,0]=4 30582 B13R1.48 CN(CCCCCO)C1CCOC1 269982a_100016988252_100000746330 [0,1,0,1,0,0|2,0,0]=4 30583 B13R1.48 CN(CCCCCO)C1CCOC1 270004a_100000722520_100000752484 [0,1,0,1,0,0|2,0,0]=4 30584 B13R1.48 CN(CCCCCO)C1CCOC1 34a_100016988252_100000746330 [0,1,0,1,0,0|2,0,0]=4 30585 B13R1.48 CN(CCCCCO)C1CCSC1 270004a_100000722520_100000212027 [0,1,0,1,0,0|2,0,0]=4 30586 B13R1.48 CN(CCOCCO)C1CCCC1 2230a_100000207505_100011215305 [0,1,0,1,0,0|2,0,0]=4 30587 B13R1.48 CN(CCOCCO)C1CCCC1 2230a_100000228057_100000179811 [0,1,0,1,0,0|2,0,0]=4 30588 B13R1.48 CN(CCOCCO)C1CCCC1 269982a_100000207505_100011215305 [0,1,0,1,0,0|2,0,0]=4 30589 B13R1.48 CN(CCOCCO)C1CCCC1 269982a_100000228057_100000179811 [0,1,0,1,0,0|2,0,0]=4 30590 B13R1.48 CN(CCOCCO)C1CCCC1 270004a_100000228057_100000210133 [0,1,0,1,0,0|2,0,0]=4 30591 B13R1.48 CN(CCOCCO)C1CCCC1 34a_100000207505_100000692535 [0,1,0,1,0,0|2,0,0]=4 30592 B13R1.48 COCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000755781 [0,1,0,1,0,0|1,0,1]=4 30593 B13R1.48 COCCCNC(C)C1CCCO1 2230a_100025754208_100000740836 [0,1,0,1,0,0|2,0,0]=4 30594 B13R1.48 COCCCNC(C)C1CCCO1 34a_100025754208_100000740836 [0,1,0,1,0,0|2,0,0]=4 30595 B13R1.48 O=C(CCCCCF)C1CCCC1 1458a_100000210718_100000729378 [0,1,0,1,0,0|1,0,1]=4 30596 B13R1.48 O=C(CCCCCF)[C@@H]1CCCO1 1458a_100000686382_100000729378 [0,1,0,1,0,0|1,0,1]=4 30597 B13R1.48 O=C(CCCCCO)C1CCCC1 1458a_100000210718_100000746330 [0,1,0,1,0,0|0,0,1]=3 30598 B13R1.48 O=C(CCCCCO)C1CCCC1 1458a_100102619762_100000179811 [0,1,0,1,0,0|0,0,1]=3 30599 B13R1.48 O=C(CCCCCO)C1CCCS1 1458a_100012002731_100000746330 [0,1,0,1,0,0|1,0,1]=4 30600 B13R1.48 O=C(CCCCCO)C1CCOC1 1458a_100011219752_100000746330 [0,1,0,1,0,0|1,0,1]=4 30601 B13R1.48 O=C(CCCCCO)C1CCOC1 1458a_100102619762_100000690089 [0,1,0,1,0,0|1,0,1]=4 30602 B13R1.48 O=C(CCCCCO)N1CCCC1 240690a_100000188435_100102619762 [0,1,0,1,0,0|1,0,1]=4 30603 B13R1.48 O=C(CCCCCO)[C@@H]1CCCO1 1458a_100000686382_100000746330 [0,1,0,1,0,0|1,0,1]=4 30604 B13R1.48 O=C(CCOCCO)C1CCCC1 1458a_100000210718_100011215305 [0,1,0,1,0,0|1,0,1]=4 30605 B13R1.48 O=C(CCOCCO)C1CCCC1 1458a_100011229844_100000179811 [0,1,0,1,0,0|1,0,1]=4 30606 B13R1.48 O=C(NCCCCO)C1CCCC1 240690a_100000750430_100000210718 [0,1,0,1,0,0|1,0,1]=4 30607 B13R1.48 O=C(NCCCCO)C1CCCC1 527a_100000750430_100000210718 [0,1,0,1,0,0|1,0,1]=4 30608 B13R1.156 CC(CC1CCCC1)NCCCF 270004a_100015189416_100000692464 [0,1,0,1,0,0|2,0,0]=4 30609 B13R1.156 CC(CC1CCCC1)NCCCO 270004a_100000182051_100000692464 [0,1,0,1,0,0|1,0,0]=3 30610 B13R1.156 CC(COCCO)CN1CCCC1 7a_200011934648_100000211926 [0,1,0,1,0,0|2,0,0]=4 30611 B13R1.156 CCCCCC(=O)CC1CCCC1 1458a_100000210891_100000210326 [0,1,0,1,0,0|1,0,1]=4 30612 B13R1.156 CCCCCC(=O)CC1CCCC1 1458a_100000212188_100000740388 [0,1,0,1,0,0|1,0,1]=4 30613 B13R1.156 CCCCCC(=O)CC1CCCO1 1458a_100000212188_100000203698 [0,1,0,1,0,0|0,0,1]=3 30614 B13R1.156 CCCCCC(=O)CC1OCCO1 1458a_100000212188_100000755774 [0,1,0,1,0,0|1,0,1]=4 30615 B13R1.156 CCCCCC(C)NC1CCCC1 2230a_100000211070_200011218191 [0,1,0,1,0,0|2,0,0]=4 30616 B13R1.156 CCCCCC(C)NC1CCCC1 2230a_100000211957_100000179811 [0,1,0,1,0,0|2,0,0]=4 30617 B13R1.156 CCCCCC(C)NC1CCCC1 270004a_100000211070_100000211708 [0,1,0,1,0,0|2,0,0]=4 30618 B13R1.156 CCCCCC(C)NC1CCCC1 270004a_100000211957_100000210133 [0,1,0,1,0,0|2,0,0]=4 30619 B13R1.156 CCCCCC(C)NC1CCCC1 34a_100000211070_200011218191 [0,1,0,1,0,0|2,0,0]=4 30620 B13R1.156 CCCCCC(C)OC1CCCC1 34a_100000210269_200011218191 [0,1,0,1,0,0|2,0,0]=4 30621 B13R1.156 CCCCCC(C)OC1CCCC1 34a_100011215632_100000179811 [0,1,0,1,0,0|2,0,0]=4 30622 B13R1.156 CCCCCC(C)OC1CCCC1 7a_100000210269_200011218191 [0,1,0,1,0,0|2,0,0]=4 30623 B13R1.156 CCCCCC(C)OC1CCCC1 7a_100011215632_100000179811 [0,1,0,1,0,0|2,0,0]=4 30624 B13R1.156 CCCCCC(C)OC1CCCO1 34a_100000085407_200011218191 [0,1,0,1,0,0|1,0,0]=3 30625 B13R1.156 CCCCCC(C)SC1CCCC1 62a_100011217020_200011218191 [0,1,0,1,0,0|2,0,0]=4 30626 B13R1.156 CCCCCC(C)SC1CCCC1 62a_200011218191_100000179811 [0,1,0,1,0,0|2,0,0]=4 30627 B13R1.156 CCCCCN(C)CC1CCCC1 2230a_100000223495_100000740388 [0,1,0,1,0,0|2,0,0]=4 30628 B13R1.156 CCCCCN(C)CC1CCCC1 269982a_100000223495_100000740388 [0,1,0,1,0,0|2,0,0]=4 30629 B13R1.156 CCCCCN(C)CC1CCCO1 2230a_100000223495_100000203698 [0,1,0,1,0,0|1,0,0]=3 30630 B13R1.156 CCCCCN(C)CC1CCCO1 2230a_100102946541_100000210326 [0,1,0,1,0,0|1,0,0]=3 30631 B13R1.156 CCCCCN(C)CC1CCCO1 269982a_100000223495_100000183445 [0,1,0,1,0,0|1,0,0]=3 30632 B13R1.156 CCCCCN(C)CC1CCCO1 269982a_100102946541_100000210215 [0,1,0,1,0,0|1,0,0]=3 30633 B13R1.156 CCCCCN(C)CC1CCCO1 34a_100102946541_100000718602 [0,1,0,1,0,0|1,0,0]=3 30634 B13R1.156 CCCCCN(C)CC1OCCO1 2230a_100000223495_100000755774 [0,1,0,1,0,0|2,0,0]=4 30635 B13R1.156 CCCCCN(C)CC1OCCO1 2230a_200000032744_100000210326 [0,1,0,1,0,0|2,0,0]=4 30636 B13R1.156 CCCCCN(C)CC1OCCO1 269982a_100000223495_100000755774 [0,1,0,1,0,0|2,0,0]=4 30637 B13R1.156 CCCCCN(C)CC1OCCO1 269982a_200000032744_100000210215 [0,1,0,1,0,0|2,0,0]=4 30638 B13R1.156 CCCCCN(C)CC1OCCO1 34a_200000032744_100000718602 [0,1,0,1,0,0|2,0,0]=4 30639 B13R1.156 CCCCNC(C)CC1CCCC1 270004a_100000102301_100000692464 [0,1,0,1,0,0|2,0,0]=4 30640 B13R1.156 CCCOCC(=O)CC1CCCO1 1458a_100000745993_100000203698 [0,1,0,1,0,0|1,0,1]=4 30641 B13R1.156 CCCSCC(=O)CC1CCCO1 1458a_100000217233_100000203698 [0,1,0,1,0,0|1,0,1]=4 30642 B13R1.156 CCOCCC(=O)CC1CCCO1 1458a_100000749530_100000203698 [0,1,0,1,0,0|1,0,1]=4 30643 B13R1.156 CCOCCN(C)CC1CCCO1 2230a_100102946541_100011215890 [0,1,0,1,0,0|2,0,0]=4 30644 B13R1.156 CCOCCN(C)CC1CCCO1 269982a_100102946541_100011215890 [0,1,0,1,0,0|2,0,0]=4 30645 B13R1.156 CCOCCN(C)CC1CCCO1 34a_100102946541_100000210147 [0,1,0,1,0,0|2,0,0]=4 30646 B13R1.156 CCSCCC(=O)CC1CCCO1 1458a_100000230768_100000203698 [0,1,0,1,0,0|1,0,1]=4 30647 B13R1.156 CCSCCN(C)CC1CCCO1 2230a_100102946541_100000757381 [0,1,0,1,0,0|2,0,0]=4 30648 B13R1.156 CCSCCN(C)CC1CCCO1 269982a_100102946541_100000757381 [0,1,0,1,0,0|2,0,0]=4 30649 B13R1.156 CCSCCN(C)CC1CCCO1 34a_100102946541_100000757381 [0,1,0,1,0,0|2,0,0]=4 30650 B13R1.156 CN(CCCCF)CC1CCCO1 2230a_100102946541_100000729493 [0,1,0,1,0,0|2,0,0]=4 30651 B13R1.156 CN(CCCCF)CC1CCCO1 269982a_100102946541_100000729493 [0,1,0,1,0,0|2,0,0]=4 30652 B13R1.156 CN(CCCCF)CC1CCCO1 34a_100102946541_100000729493 [0,1,0,1,0,0|2,0,0]=4 30653 B13R1.156 CN(CCCCO)CC1CCCC1 2230a_100000717598_100000740388 [0,1,0,1,0,0|1,0,0]=3 30654 B13R1.156 CN(CCCCO)CC1CCCC1 269982a_100000717598_100000740388 [0,1,0,1,0,0|1,0,0]=3 30655 B13R1.156 CN(CCCCO)CC1CCCO1 2230a_100000717598_100000203698 [0,1,0,1,0,0|2,0,0]=4 30656 B13R1.156 CN(CCCCO)CC1CCCO1 2230a_100102946541_100000210776 [0,1,0,1,0,0|2,0,0]=4 30657 B13R1.156 CN(CCCCO)CC1CCCO1 269982a_100000717598_100000183445 [0,1,0,1,0,0|2,0,0]=4 30658 B13R1.156 CN(CCCCO)CC1CCCO1 269982a_100102946541_100000210776 [0,1,0,1,0,0|2,0,0]=4 30659 B13R1.156 CN(CCCCO)CC1CCCO1 34a_100102946541_100011216708 [0,1,0,1,0,0|2,0,0]=4 30660 B13R1.156 CN(CCCCO)CC1CCOC1 2230a_100000684583_100000210776 [0,1,0,1,0,0|2,0,0]=4 30661 B13R1.156 CN(CCCCO)CC1CCOC1 2230a_100000717598_100000702531 [0,1,0,1,0,0|2,0,0]=4 30662 B13R1.156 CN(CCCCO)CC1CCOC1 269982a_100000684583_100000210776 [0,1,0,1,0,0|2,0,0]=4 30663 B13R1.156 CN(CCCCO)CC1CCOC1 269982a_100000717598_100000702531 [0,1,0,1,0,0|2,0,0]=4 30664 B13R1.156 CN(CCCCO)CC1CCOC1 34a_100000684583_100011216708 [0,1,0,1,0,0|2,0,0]=4 30665 B13R1.156 COCCCC(=O)CC1CCCO1 1458a_100000741012_100000203698 [0,1,0,1,0,0|1,0,1]=4 30666 B13R1.156 COCCCN(C)CC1CCCO1 2230a_100000224831_100000203698 [0,1,0,1,0,0|2,0,0]=4 30667 B13R1.156 COCCCN(C)CC1CCCO1 2230a_100102946541_100000740836 [0,1,0,1,0,0|2,0,0]=4 30668 B13R1.156 COCCCN(C)CC1CCCO1 269982a_100000224831_100000183445 [0,1,0,1,0,0|2,0,0]=4 30669 B13R1.156 COCCCN(C)CC1CCCO1 269982a_100102946541_100000740836 [0,1,0,1,0,0|2,0,0]=4 30670 B13R1.156 COCCCN(C)CC1CCCO1 34a_100102946541_100000740836 [0,1,0,1,0,0|2,0,0]=4 30671 B13R1.156 CSCCCC(=O)CC1CCCO1 1458a_100000173376_100000203698 [0,1,0,1,0,0|1,0,1]=4 30672 B13R1.156 O=C(CC1CCCC1)NCCCO 240690a_100000182051_100000210891 [0,1,0,1,0,0|1,0,1]=4 30673 B13R1.156 O=C(CC1CCCC1)NCCCO 527a_100000182051_100000210891 [0,1,0,1,0,0|1,0,1]=4 30674 B13R1.156 O=C(CCCCF)CC1CCCC1 1458a_100000210891_100000729493 [0,1,0,1,0,0|1,0,1]=4 30675 B13R1.156 O=C(CCCCO)CC1CCCC1 1458a_100000210891_100000210776 [0,1,0,1,0,0|0,0,1]=3 30676 B13R1.156 O=C(CCCCO)CC1CCCC1 1458a_100000695505_100000740388 [0,1,0,1,0,0|0,0,1]=3 30677 B13R1.156 O=C(CCCCO)CC1CCCO1 1458a_100000695505_100000203698 [0,1,0,1,0,0|1,0,1]=4 30678 B13R1.156 O=C(CCCCO)CC1CCOC1 1458a_100000695505_100000702531 [0,1,0,1,0,0|1,0,1]=4 30679 B13R1.156 O=C(CCCCO)CC1CCOC1 1458a_100011218419_100000210776 [0,1,0,1,0,0|1,0,1]=4 30680 B13R1.156 O=C(CCCCO)CN1CCCC1 1458a_100000740243_100000210776 [0,1,0,1,0,0|1,0,1]=4 30681 B13R1.156 O=C(CCCCO)NC1CCCC1 1626a_100000211070_100000695505 [0,1,0,1,0,0|1,0,1]=4 30682 B13R1.156 O=C(COCCO)CC1CCCC1 1458a_100000708028_100000740388 [0,1,0,1,0,0|1,0,1]=4 30683 B13R1.189 CCC1CCC(C1)NCCCCO 270004a_100000750430_100011218773 [0,1,0,1,0,0|1,0,0]=3 30684 B13R1.189 CCCCCCN1CCC(C1)CO 2230a_100000748654_100000210314 [0,1,0,1,0,0|1,0,0]=3 30685 B13R1.189 CCCCCCN1CCC(C1)CO 269982a_100000748654_100000210757 [0,1,0,1,0,0|1,0,0]=3 30686 B13R1.189 CCCCCCN1CCC(C1)CO 34a_100000748654_100000210314 [0,1,0,1,0,0|1,0,0]=3 30687 B13R1.189 CCCCCNC1CCC(C1)CC 270004a_100000209983_100011218773 [0,1,0,1,0,0|2,0,0]=4 30688 B13R1.189 CCCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210210 [0,1,0,1,0,0|1,0,0]=3 30689 B13R1.189 CCCCOCN1CCC(C1)CO 2230a_100000748654_100011995733 [0,1,0,1,0,0|2,0,0]=4 30690 B13R1.189 CCCCOCN1CCC(C1)CO 269982a_100000748654_100011995733 [0,1,0,1,0,0|2,0,0]=4 30691 B13R1.189 CCCCOCN1CCC(C1)CO 34a_100000748654_100011995733 [0,1,0,1,0,0|2,0,0]=4 30692 B13R1.189 CCCCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210210 [0,1,0,1,0,0|2,0,0]=4 30693 B13R1.189 CCCOCCN1CCC(C1)CO 2230a_100000748654_100011215938 [0,1,0,1,0,0|2,0,0]=4 30694 B13R1.189 CCCOCCN1CCC(C1)CO 269982a_100000748654_100011215938 [0,1,0,1,0,0|2,0,0]=4 30695 B13R1.189 CCCOCCN1CCC(C1)CO 34a_100000748654_100011215938 [0,1,0,1,0,0|2,0,0]=4 30696 B13R1.189 CCN1CCC(C1)CNCCCO 2230a_100011224064_100000230001 [0,1,0,1,0,0|2,0,0]=4 30697 B13R1.189 CCN1CCC(C1)CSCCCO 62a_100011215043_100015184589 [0,1,0,1,0,0|2,0,0]=4 30698 B13R1.189 CCN1CCC(C1)CSCCCO 62a_100015184589_100011215043 [0,1,0,1,0,0|2,0,0]=4 30699 B13R1.189 CCN1CCC(C1)NCCCCO 2230a_100015188829_100000210776 [0,1,0,1,0,0|2,0,0]=4 30700 B13R1.189 CCN1CCC(C1)SCCCCO 62a_100000210776_200011861547 [0,1,0,1,0,0|2,0,0]=4 30701 B13R1.189 CCOCCCN1CCC(C1)CO 2230a_100000748654_100012232248 [0,1,0,1,0,0|2,0,0]=4 30702 B13R1.189 CCOCCCN1CCC(C1)CO 269982a_100000748654_100012232248 [0,1,0,1,0,0|2,0,0]=4 30703 B13R1.189 CCOCCCN1CCC(C1)CO 34a_100000748654_100012232248 [0,1,0,1,0,0|2,0,0]=4 30704 B13R1.189 COCCCCN1CCC(C1)CO 2230a_100000748654_100000730899 [0,1,0,1,0,0|2,0,0]=4 30705 B13R1.189 COCCCCN1CCC(C1)CO 269982a_100000748654_100000730899 [0,1,0,1,0,0|2,0,0]=4 30706 B13R1.189 COCCCCN1CCC(C1)CO 34a_100000748654_100000755781 [0,1,0,1,0,0|2,0,0]=4 30707 B13R1.189 COCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100011201679 [0,1,0,1,0,0|2,0,0]=4 30708 B13R1.189 CO[C@@H]1CCN(C1)CCCCCO 2230a_100000766984_100000746330 [0,1,0,1,0,0|2,0,0]=4 30709 B13R1.189 CO[C@@H]1CCN(C1)CCCCCO 269982a_100000766984_100000746330 [0,1,0,1,0,0|2,0,0]=4 30710 B13R1.189 CSCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000212216 [0,1,0,1,0,0|2,0,0]=4 30711 B13R1.189 NC[C@@H]1CC[C@@H](C1)COCCCO 34a_206354213956_100000230001 [0,1,0,1,0,0|2,0,0]=4 30712 B13R1.189 OCC1CCN(C1)CCCCCF 2230a_100000748654_100000729378 [0,1,0,1,0,0|2,0,0]=4 30713 B13R1.189 OCC1CCN(C1)CCCCCF 269982a_100000748654_100000729378 [0,1,0,1,0,0|2,0,0]=4 30714 B13R1.189 OCC1CCN(C1)CCCCCF 34a_100000748654_100000729378 [0,1,0,1,0,0|2,0,0]=4 30715 B13R1.189 OCCCCCN1CCC(C1)CO 2230a_100000748654_100000746330 [0,1,0,1,0,0|2,0,0]=4 30716 B13R1.189 OCCCCCN1CCC(C1)CO 269982a_100000748654_100000746330 [0,1,0,1,0,0|2,0,0]=4 30717 B13R1.189 OCCCCCN1CCC(C1)CO 34a_100000748654_100000746330 [0,1,0,1,0,0|2,0,0]=4 30718 B13R1.189 OCCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000230001 [0,1,0,1,0,0|2,0,0]=4 30719 B13R1.189 OC[C@H]1CC[C@H](C1)CNCCCF 34a_206354213956_100011934791 [0,1,0,1,0,0|2,0,0]=4 30720 B13R1.666 CCC1CCCC(C1)NCCCF 270004a_100015189416_100000756783 [0,1,0,1,0,0|2,0,0]=4 30721 B13R1.666 CCC1CCCC(C1)NCCCO 270004a_100000182051_100000756783 [0,1,0,1,0,0|1,0,0]=3 30722 B13R1.666 CCC1CCCC(C1)OCCCF 7a_100011985506_100011934791 [0,1,0,1,0,0|2,0,0]=4 30723 B13R1.666 CCC1CCCC(C1)OCCCO 7a_100011985506_100011215043 [0,1,0,1,0,0|1,0,0]=3 30724 B13R1.666 CCC1CN(CCO1)CCCCO 2230a_100000736320_100000210776 [0,1,0,1,0,0|2,0,0]=4 30725 B13R1.666 CCC1CN(CCO1)CCCCO 269982a_100000736320_100000210776 [0,1,0,1,0,0|2,0,0]=4 30726 B13R1.666 CCC1CN(CCO1)CCCCO 34a_100000736320_100011216708 [0,1,0,1,0,0|2,0,0]=4 30727 B13R1.666 CCCCCN1CCCC(C1)CF 2230a_100016992999_100000210326 [0,1,0,1,0,0|2,0,0]=4 30728 B13R1.666 CCCCCN1CCCC(C1)CF 269982a_100016992999_100000210215 [0,1,0,1,0,0|2,0,0]=4 30729 B13R1.666 CCCCCN1CCCC(C1)CF 34a_100016992999_100000718602 [0,1,0,1,0,0|2,0,0]=4 30730 B13R1.666 CCCCCN1CCCC(C1)CO 2230a_100000211344_100000210326 [0,1,0,1,0,0|1,0,0]=3 30731 B13R1.666 CCCCCN1CCCC(C1)CO 269982a_100000211344_100000210215 [0,1,0,1,0,0|1,0,0]=3 30732 B13R1.666 CCCCCN1CCCC(C1)CO 34a_100000211344_100000718602 [0,1,0,1,0,0|1,0,0]=3 30733 B13R1.666 CCCCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210326 [0,1,0,1,0,0|2,0,0]=4 30734 B13R1.666 CCCCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000210215 [0,1,0,1,0,0|2,0,0]=4 30735 B13R1.666 CCCCCN1CCO[C@@H](C1)CO 34a_100015189573_100000718602 [0,1,0,1,0,0|2,0,0]=4 30736 B13R1.666 CCCCNC1CCCC(C1)CC 270004a_100000102301_100000756783 [0,1,0,1,0,0|2,0,0]=4 30737 B13R1.666 CCCCOC1CCCC(C1)CC 7a_100011985506_100000210211 [0,1,0,1,0,0|2,0,0]=4 30738 B13R1.666 CCCCOC1CCCC(C1)CN 34a_100011254705_100000210210 [0,1,0,1,0,0|2,0,0]=4 30739 B13R1.666 CCN1CCCC(C1)CNCCO 2230a_100000747413_100000211926 [0,1,0,1,0,0|2,0,0]=4 30740 B13R1.666 CCN1CCCC(C1)COCCO 7a_200000227639_100000211926 [0,1,0,1,0,0|2,0,0]=4 30741 B13R1.666 CCN1CCC[C@H](C1)NCCCO 2230a_100025775482_100000230001 [0,1,0,1,0,0|2,0,0]=4 30742 B13R1.666 CCOCCN1CCCC(C1)CO 2230a_100000211344_100011215890 [0,1,0,1,0,0|2,0,0]=4 30743 B13R1.666 CCOCCN1CCCC(C1)CO 269982a_100000211344_100011215890 [0,1,0,1,0,0|2,0,0]=4 30744 B13R1.666 CCOCCN1CCCC(C1)CO 34a_100000211344_100000210147 [0,1,0,1,0,0|2,0,0]=4 30745 B13R1.666 CCSCCN1CCCC(C1)CO 2230a_100000211344_100000757381 [0,1,0,1,0,0|2,0,0]=4 30746 B13R1.666 CCSCCN1CCCC(C1)CO 269982a_100000211344_100000757381 [0,1,0,1,0,0|2,0,0]=4 30747 B13R1.666 CCSCCN1CCCC(C1)CO 34a_100000211344_100000757381 [0,1,0,1,0,0|2,0,0]=4 30748 B13R1.666 COC1CCCN(C1)CCCCO 2230a_100000695604_100000210776 [0,1,0,1,0,0|2,0,0]=4 30749 B13R1.666 COC1CCCN(C1)CCCCO 269982a_100000695604_100000210776 [0,1,0,1,0,0|2,0,0]=4 30750 B13R1.666 COC1CCCN(C1)CCCCO 34a_100000695604_100011216708 [0,1,0,1,0,0|2,0,0]=4 30751 B13R1.666 COCCCN1CCCC(C1)CO 2230a_100000211344_100000740836 [0,1,0,1,0,0|2,0,0]=4 30752 B13R1.666 COCCCN1CCCC(C1)CO 269982a_100000211344_100000740836 [0,1,0,1,0,0|2,0,0]=4 30753 B13R1.666 COCCCN1CCCC(C1)CO 34a_100000211344_100000740836 [0,1,0,1,0,0|2,0,0]=4 30754 B13R1.666 CSC1CCCC(C1)NCCCO 270004a_100000182051_100012138059 [0,1,0,1,0,0|2,0,0]=4 30755 B13R1.666 NCC1CCCC(C1)OCCCO 34a_100011254705_100000230001 [0,1,0,1,0,0|2,0,0]=4 30756 B13R1.666 OCC1CCCN(C1)CCCCF 2230a_100000211344_100000729493 [0,1,0,1,0,0|2,0,0]=4 30757 B13R1.666 OCC1CCCN(C1)CCCCF 269982a_100000211344_100000729493 [0,1,0,1,0,0|2,0,0]=4 30758 B13R1.666 OCC1CCCN(C1)CCCCF 34a_100000211344_100000729493 [0,1,0,1,0,0|2,0,0]=4 30759 B13R1.666 OCCCCN1CCCC(C1)CF 2230a_100016992999_100000210776 [0,1,0,1,0,0|2,0,0]=4 30760 B13R1.666 OCCCCN1CCCC(C1)CF 269982a_100016992999_100000210776 [0,1,0,1,0,0|2,0,0]=4 30761 B13R1.666 OCCCCN1CCCC(C1)CF 34a_100016992999_100011216708 [0,1,0,1,0,0|2,0,0]=4 30762 B13R1.666 OCCCCN1CCCC(C1)CO 2230a_100000211344_100000210776 [0,1,0,1,0,0|2,0,0]=4 30763 B13R1.666 OCCCCN1CCCC(C1)CO 269982a_100000211344_100000210776 [0,1,0,1,0,0|2,0,0]=4 30764 B13R1.666 OCCCCN1CCCC(C1)CO 34a_100000211344_100011216708 [0,1,0,1,0,0|2,0,0]=4 30765 B13R1.725 CC1CCCC1C(=O)CCCCF 1458a_100000690547_100000729493 [0,1,0,1,0,0|1,0,1]=4 30766 B13R1.725 CC1CCCC1C(=O)CCCCO 1458a_100000690547_100000210776 [0,1,0,1,0,0|0,0,1]=3 30767 B13R1.725 CC1CCCC1C(=O)NCCCO 240690a_100000182051_100000690547 [0,1,0,1,0,0|1,0,1]=4 30768 B13R1.725 CC1CCCC1C(=O)NCCCO 527a_100000182051_100000690547 [0,1,0,1,0,0|1,0,1]=4 30769 B13R1.725 CC1OCCC1N(C)CCCCO 270004a_100000717598_100000691750 [0,1,0,1,0,0|2,0,0]=4 30770 B13R1.725 CCCCCC(=O)C1CCCC1C 1458a_100000690547_100000210326 [0,1,0,1,0,0|1,0,1]=4 30771 B13R1.725 CCCCCC(C)N1CCC[C@@H]1C 2230a_100020605311_200011218191 [0,1,0,1,0,0|2,0,0]=4 30772 B13R1.725 CCCCCC(C)N1CCC[C@@H]1C 269982a_100020605311_200011218191 [0,1,0,1,0,0|2,0,0]=4 30773 B13R1.725 CCCCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000211708 [0,1,0,1,0,0|2,0,0]=4 30774 B13R1.725 CCCCCC(C)N1CCC[C@H]1C 2230a_100015189458_200011218191 [0,1,0,1,0,0|2,0,0]=4 30775 B13R1.725 CCCCCC(C)N1CCC[C@H]1C 269982a_100015189458_200011218191 [0,1,0,1,0,0|2,0,0]=4 30776 B13R1.725 CCCCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000211708 [0,1,0,1,0,0|2,0,0]=4 30777 B13R1.725 CCCCCC(C)N1CCC[C@H]1C 34a_100015189458_200011218191 [0,1,0,1,0,0|2,0,0]=4 30778 B13R1.725 CCCCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000223495_200016002552 [0,1,0,1,0,0|1,0,0]=3 30779 B13R1.725 CN(CCCCO)[C@@H]1CCC[C@H]1O 269982a_100000717598_200016002552 [0,1,0,1,0,0|2,0,0]=4 30780 B13R1.725 CN1CCC[C@H]1C(=O)CCCCO 1458a_100009816429_100000210776 [0,1,0,1,0,0|1,0,1]=4 30781 B13R1.725 COCCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000224831_200016002552 [0,1,0,1,0,0|2,0,0]=4 30782 B13R1.725 C[C@H](OCCCO)[C@@H]1CCCN1C 34a_100160487421_100000230001 [0,1,0,1,0,0|2,0,0]=4 30783 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000212188 [0,1,0,1,0,0|1,0,1]=4 30784 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000212188 [0,1,0,1,0,0|1,0,1]=4 30785 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000212188 [0,1,0,1,0,0|1,0,1]=4 30786 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000212188 [0,1,0,1,0,0|1,0,1]=4 30787 B13R1.728 CCCCCC(C)NCC1CCC1 2230a_100000211957_100000763275 [0,1,0,1,0,0|2,0,0]=4 30788 B13R1.728 CCCCCC(C)NCC1CCC1 2230a_100000738700_200011218191 [0,1,0,1,0,0|2,0,0]=4 30789 B13R1.728 CCCCCC(C)NCC1CCC1 269862a_100000211957_100000753134 [0,1,0,1,0,0|2,0,0]=4 30790 B13R1.728 CCCCCC(C)NCC1CCC1 270004a_100000738700_100000211708 [0,1,0,1,0,0|2,0,0]=4 30791 B13R1.728 CCCCCC(C)NCC1CCC1 34a_100000738700_200011218191 [0,1,0,1,0,0|2,0,0]=4 30792 B13R1.728 CCCCCC(C)NCC1CCO1 2230a_100000211957_100000103362 [0,1,0,1,0,0|1,0,0]=3 30793 B13R1.728 CCCCCC(C)NC[C@@H]1CCO1 2230a_100020831831_200011218191 [0,1,0,1,0,0|1,0,0]=3 30794 B13R1.728 CCCCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000211708 [0,1,0,1,0,0|1,0,0]=3 30795 B13R1.728 CCCCCC(C)NC[C@@H]1CCO1 34a_100020831831_200011218191 [0,1,0,1,0,0|1,0,0]=3 30796 B13R1.728 CCCCCC(C)OCC1CCC1 34a_100000760304_200011218191 [0,1,0,1,0,0|2,0,0]=4 30797 B13R1.728 CCCCCC(C)OCC1CCC1 34a_100011215632_100000763275 [0,1,0,1,0,0|2,0,0]=4 30798 B13R1.728 CCCCCC(C)OCC1CCC1 7a_100011215632_100000763275 [0,1,0,1,0,0|2,0,0]=4 30799 B13R1.728 CCCCCC(C)OCC1CCO1 34a_100000039022_200011218191 [0,1,0,1,0,0|1,0,0]=3 30800 B13R1.728 CCCCCC(C)OCC1CCO1 34a_100011215632_100000103362 [0,1,0,1,0,0|1,0,0]=3 30801 B13R1.728 CCCCCC(C)OCC1CCO1 7a_100011215632_100000103362 [0,1,0,1,0,0|1,0,0]=3 30802 B13R1.728 CCCCCC(C)SCC1CCC1 62a_100000763275_200011218191 [0,1,0,1,0,0|2,0,0]=4 30803 B13R1.728 CCCCCC(C)SCC1CCC1 62a_200011218191_100000763275 [0,1,0,1,0,0|2,0,0]=4 30804 B13R1.728 CCCCCC(C)SCC1CCO1 62a_100000103362_200011218191 [0,1,0,1,0,0|1,0,0]=3 30805 B13R1.728 CCCCCC(C)SCC1CCO1 62a_200011218191_100000103362 [0,1,0,1,0,0|1,0,0]=3 30806 B13R1.728 CCCSCC(C)NC[C@@H]1CCO1 270004a_100020831831_100011343953 [0,1,0,1,0,0|2,0,0]=4 30807 B13R1.728 CCOCCC(C)NC[C@@H]1CCO1 270004a_100020831831_200011216536 [0,1,0,1,0,0|2,0,0]=4 30808 B13R1.728 COCCCC(C)OCC1CCO1 34a_200011539412_100000103362 [0,1,0,1,0,0|2,0,0]=4 30809 B13R1.728 COCCCC(C)OCC1CCO1 7a_200011539412_100000103362 [0,1,0,1,0,0|2,0,0]=4 30810 B13R1.728 CSCCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100011399439 [0,1,0,1,0,0|2,0,0]=4 30811 B13R1.728 NCCCC[C@H](N)COC1CCC1 34a_100016993712_100000749161 [0,1,0,1,0,0|2,0,0]=4 30812 B13R1.728 O=C(CCCCO)NCC1CCC1 1626a_100000738700_100000695505 [0,1,0,1,0,0|1,0,1]=4 30813 B13R1.729 CCCCCC(=O)CCCC1CO1 1458a_100000212188_100000733510 [0,1,0,1,0,0|0,0,1]=3 30814 B13R1.729 CCCCCC(=O)COC[C@@H]1CO1 34a_100000757423_200012276598 [0,1,0,1,0,0|1,0,1]=4 30815 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_102125554688_200012276598 [0,1,0,1,0,0|1,0,1]=4 30816 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_200012276598_102125554688 [0,1,0,1,0,0|1,0,1]=4 30817 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_100000745022_200012276598 [0,1,0,1,0,0|1,0,1]=4 30818 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_200012276598_100000745022 [0,1,0,1,0,0|1,0,1]=4 30819 B13R1.729 CCCCCC(C)NCCC1CC1 2230a_100000211957_100000694398 [0,1,0,1,0,0|2,0,0]=4 30820 B13R1.729 CCCCCC(C)NCCC1CC1 270004a_100000764129_100000211708 [0,1,0,1,0,0|2,0,0]=4 30821 B13R1.729 CCCCCC(C)NCCC1CC1 34a_100000764129_200011218191 [0,1,0,1,0,0|2,0,0]=4 30822 B13R1.729 CCCCCC(C)NCCC1CO1 2230a_100000211957_100000732470 [0,1,0,1,0,0|1,0,0]=3 30823 B13R1.729 CCCCCC(C)OCCC1CC1 34a_100000754188_200011218191 [0,1,0,1,0,0|2,0,0]=4 30824 B13R1.729 CCCCCC(C)OCCC1CC1 34a_100011215632_100000694398 [0,1,0,1,0,0|2,0,0]=4 30825 B13R1.729 CCCCCC(C)OCCC1CC1 7a_100000754188_200011218191 [0,1,0,1,0,0|2,0,0]=4 30826 B13R1.729 CCCCCC(C)OCCC1CC1 7a_100011215632_100000764125 [0,1,0,1,0,0|2,0,0]=4 30827 B13R1.729 CCCCCC(C)OCCC1CO1 34a_100011215632_100000732470 [0,1,0,1,0,0|1,0,0]=3 30828 B13R1.729 CCCCCC(C)OCCC1CO1 7a_100011215632_100000732470 [0,1,0,1,0,0|1,0,0]=3 30829 B13R1.729 CCCCCC(C)OCC[C@@H]1CO1 34a_100009820653_200011218191 [0,1,0,1,0,0|1,0,0]=3 30830 B13R1.729 CCCCCC(C)SCCC1CC1 62a_100000764125_200011218191 [0,1,0,1,0,0|2,0,0]=4 30831 B13R1.729 CCCCCC(C)SCCC1CC1 62a_200011218191_100000764125 [0,1,0,1,0,0|2,0,0]=4 30832 B13R1.729 CCCCCC(C)SCCC1CO1 62a_100000732470_200011218191 [0,1,0,1,0,0|1,0,0]=3 30833 B13R1.729 CCCCCC(C)SCCC1CO1 62a_200011218191_100000732470 [0,1,0,1,0,0|1,0,0]=3 30834 B13R1.729 CCCCCN(C)CCCC1CO1 2230a_100000223495_100000733510 [0,1,0,1,0,0|1,0,0]=3 30835 B13R1.729 CCCCCN(C)CCCC1CO1 269982a_100000223495_100000733510 [0,1,0,1,0,0|1,0,0]=3 30836 B13R1.729 CCCOCC(=O)CCCC1CO1 1458a_100000745993_100000733510 [0,1,0,1,0,0|1,0,1]=4 30837 B13R1.729 CCCSCC(=O)CCCC1CO1 1458a_100000217233_100000733510 [0,1,0,1,0,0|1,0,1]=4 30838 B13R1.729 CCOCCC(=O)CCCC1CO1 1458a_100000749530_100000733510 [0,1,0,1,0,0|1,0,1]=4 30839 B13R1.729 CCSCCC(=O)CCCC1CO1 1458a_100000230768_100000733510 [0,1,0,1,0,0|1,0,1]=4 30840 B13R1.729 CN(CCCCO)CCCC1CO1 2230a_100000717598_100000733510 [0,1,0,1,0,0|2,0,0]=4 30841 B13R1.729 CN(CCCCO)CCCC1CO1 269982a_100000717598_100000733510 [0,1,0,1,0,0|2,0,0]=4 30842 B13R1.729 COCCCC(=O)CCCC1CO1 1458a_100000741012_100000733510 [0,1,0,1,0,0|1,0,1]=4 30843 B13R1.729 COCCCC(C)OCCC1CO1 34a_200011539412_100000732470 [0,1,0,1,0,0|2,0,0]=4 30844 B13R1.729 COCCCC(C)OCCC1CO1 7a_200011539412_100000732470 [0,1,0,1,0,0|2,0,0]=4 30845 B13R1.729 COCCCN(C)CCCC1CO1 2230a_100000224831_100000733510 [0,1,0,1,0,0|2,0,0]=4 30846 B13R1.729 COCCCN(C)CCCC1CO1 269982a_100000224831_100000733510 [0,1,0,1,0,0|2,0,0]=4 30847 B13R1.729 CSCCCC(=O)CCCC1CO1 1458a_100000173376_100000733510 [0,1,0,1,0,0|1,0,1]=4 30848 B13R1.729 NCCCC[C@H](N)COCC1CC1 34a_100016993712_100000742324 [0,1,0,1,0,0|2,0,0]=4 30849 B13R1.729 NCCCC[C@H](N)COCC1CO1 34a_100016993712_102125554688 [0,1,0,1,0,0|2,0,0]=4 30850 B13R1.729 O=C(CCCCO)CCCC1CO1 1458a_100000695505_100000733510 [0,1,0,1,0,0|1,0,1]=4 30851 B13R1.729 O=C(CCCCO)CSCC1CC1 1458a_200011316215_100000210776 [0,1,0,1,0,0|1,0,1]=4 30852 B13R1.729 O=C(CCCCO)NCCC1CC1 1626a_100000764129_100000695505 [0,1,0,1,0,0|1,0,1]=4 30853 B13R1.1148 CCCCCN1CCCCC(C1)O 2230a_100025706797_100000210326 [0,1,0,1,0,0|1,0,0]=3 30854 B13R1.1148 CCCCCN1CCCCC(C1)O 269982a_100025706797_100000210215 [0,1,0,1,0,0|1,0,0]=3 30855 B13R1.1148 CCCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210326 [0,1,0,1,0,0|2,0,0]=4 30856 B13R1.1148 CCCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210215 [0,1,0,1,0,0|2,0,0]=4 30857 B13R1.1148 CCOCCN1CCCCC(C1)O 2230a_100025706797_100011215890 [0,1,0,1,0,0|2,0,0]=4 30858 B13R1.1148 CCOCCN1CCCCC(C1)O 269982a_100025706797_100011215890 [0,1,0,1,0,0|2,0,0]=4 30859 B13R1.1148 CCSCCN1CCCCC(C1)O 2230a_100025706797_100000757381 [0,1,0,1,0,0|2,0,0]=4 30860 B13R1.1148 CCSCCN1CCCCC(C1)O 269982a_100025706797_100000757381 [0,1,0,1,0,0|2,0,0]=4 30861 B13R1.1148 COCCCN1CCCCC(C1)O 2230a_100025706797_100000740836 [0,1,0,1,0,0|2,0,0]=4 30862 B13R1.1148 COCCCN1CCCCC(C1)O 269982a_100025706797_100000740836 [0,1,0,1,0,0|2,0,0]=4 30863 B13R1.1148 OC1CCCCN(C1)CCCCF 2230a_100025706797_100000729493 [0,1,0,1,0,0|2,0,0]=4 30864 B13R1.1148 OC1CCCCN(C1)CCCCF 269982a_100025706797_100000729493 [0,1,0,1,0,0|2,0,0]=4 30865 B13R1.1148 OCCCCN1CCCCC(C1)O 2230a_100025706797_100000210776 [0,1,0,1,0,0|1,0,0]=3 30866 B13R1.1148 OCCCCN1CCCCC(C1)O 269982a_100025706797_100000210776 [0,1,0,1,0,0|1,0,0]=3 30867 B13R1.1148 OCCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210776 [0,1,0,1,0,0|2,0,0]=4 30868 B13R1.1148 OCCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210776 [0,1,0,1,0,0|2,0,0]=4 30869 B13R1.1156 CCCOC1CN(C1)CCCCO 269982a_200020626125_100000210776 [0,1,0,1,0,0|2,0,0]=4 30870 B13R1.1156 CCCOC1CN(C1)CCCCO 34a_200020626125_100011216708 [0,1,0,1,0,0|2,0,0]=4 30871 B13R1.2465 CC1(CCCCCC1)NCCCF 2230a_100000704638_100011934791 [0,1,0,1,0,0|2,0,0]=4 30872 B13R1.2465 CC1(CCCCCC1)NCCCF 34a_100000704638_100011934791 [0,1,0,1,0,0|2,0,0]=4 30873 B13R1.2465 CC1(CCCCCC1)NCCCO 2230a_100000704638_100000230001 [0,1,0,1,0,0|1,0,0]=3 30874 B13R1.2465 CC1(CCCCCC1)NCCCO 34a_100000704638_100000230001 [0,1,0,1,0,0|1,0,0]=3 30875 B13R1.2465 CC1(CCCCCC1)OCCCF 34a_100000708895_100011934791 [0,1,0,1,0,0|2,0,0]=4 30876 B13R1.2465 CC1(CCCCCC1)OCCCF 7a_100000708895_100011934791 [0,1,0,1,0,0|2,0,0]=4 30877 B13R1.2465 CC1(CCCCCC1)OCCCO 34a_100000708895_100000230001 [0,1,0,1,0,0|1,0,0]=3 30878 B13R1.2465 CC1(CCCCCC1)OCCCO 7a_100000708895_100011215043 [0,1,0,1,0,0|1,0,0]=3 30879 B13R1.2465 CC1(CCCNCC1)OCCCO 34a_100000723723_100000230001 [0,1,0,1,0,0|2,0,0]=4 30880 B13R1.2465 CCCCNC1(CCCCCC1)C 2230a_100000704638_100000210211 [0,1,0,1,0,0|2,0,0]=4 30881 B13R1.2465 CCCCNC1(CCCCCC1)C 34a_100000704638_100000210210 [0,1,0,1,0,0|2,0,0]=4 30882 B13R1.2465 CCCCOC1(CCCCCC1)C 34a_100000708895_100000210210 [0,1,0,1,0,0|2,0,0]=4 30883 B13R1.2465 CCCCOC1(CCCCCC1)C 7a_100000708895_100000210211 [0,1,0,1,0,0|2,0,0]=4 30884 B13R1.2914 CCC1CC1C(=O)CCCCCF 1458a_200011661523_100000729378 [0,1,0,1,0,0|1,0,1]=4 30885 B13R1.2914 CCC1CC1C(=O)CCCCCO 1458a_200011661523_100000746330 [0,1,0,1,0,0|0,0,1]=3 30886 B13R1.2914 CCC1CC1C(=O)CCOCCO 1458a_200011661523_100011215305 [0,1,0,1,0,0|1,0,1]=4 30887 B13R1.2914 CCC1CC1C(=O)NCCCCO 240690a_100000750430_200011661523 [0,1,0,1,0,0|1,0,1]=4 30888 B13R1.2914 CCC1CC1C(=O)NCCCCO 527a_100000750430_200011661523 [0,1,0,1,0,0|1,0,1]=4 30889 B13R1.2914 CCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210757 [0,1,0,1,0,0|1,0,1]=4 30890 B13R1.2915 CCCCCCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100011215978 [0,1,0,1,0,0|2,0,0]=4 30891 B13R1.2915 CCCCCCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100011215978 [0,1,0,1,0,0|2,0,0]=4 30892 B13R1.2915 CCCCCCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100011215978 [0,1,0,1,0,0|2,0,0]=4 30893 B13R1.2916 CCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210757 [0,1,0,1,0,0|1,0,1]=4 30894 B13R1.2916 CCCCCCC(=O)CC1CCC1 1458a_100102632555_100000763275 [0,1,0,1,0,0|1,0,1]=4 30895 B13R1.2916 CCCCCCC(=O)CC1CCO1 1458a_100102632555_100000103362 [0,1,0,1,0,0|0,0,1]=3 30896 B13R1.2916 CCCCCCC(C)NC1CCC1 2230a_100000749019_100011215978 [0,1,0,1,0,0|2,0,0]=4 30897 B13R1.2916 CCCCCCC(C)NC1CCC1 270004a_100000210919_100000241760 [0,1,0,1,0,0|2,0,0]=4 30898 B13R1.2916 CCCCCCC(C)NC1CCC1 34a_100000210919_100000749161 [0,1,0,1,0,0|2,0,0]=4 30899 B13R1.2916 CCCCCCC(C)NC1CCC1 34a_100000749019_100011215978 [0,1,0,1,0,0|2,0,0]=4 30900 B13R1.2916 CCCCCCC(C)OC1CCC1 34a_100000210265_100000749161 [0,1,0,1,0,0|2,0,0]=4 30901 B13R1.2916 CCCCCCC(C)OC1CCC1 34a_100000748187_100011215978 [0,1,0,1,0,0|2,0,0]=4 30902 B13R1.2916 CCCCCCC(C)SC1CCC1 62a_100011215978_100000749161 [0,1,0,1,0,0|2,0,0]=4 30903 B13R1.2916 CCCCCCN(C)CC1CCC1 2230a_106256046315_100000763275 [0,1,0,1,0,0|2,0,0]=4 30904 B13R1.2916 CCCCCCN(C)CC1CCC1 2230a_200000750244_100000210314 [0,1,0,1,0,0|2,0,0]=4 30905 B13R1.2916 CCCCCCN(C)CC1CCC1 269982a_106256046315_100000763275 [0,1,0,1,0,0|2,0,0]=4 30906 B13R1.2916 CCCCCCN(C)CC1CCC1 269982a_200000750244_100000210757 [0,1,0,1,0,0|2,0,0]=4 30907 B13R1.2916 CCCCCCN(C)CC1CCC1 34a_200000750244_100000210314 [0,1,0,1,0,0|2,0,0]=4 30908 B13R1.2916 CCCCCCN(C)CC1CCO1 2230a_106256046315_100000103362 [0,1,0,1,0,0|1,0,0]=3 30909 B13R1.2916 CCCCCCN(C)CC1CCO1 269982a_106256046315_100000103362 [0,1,0,1,0,0|1,0,0]=3 30910 B13R1.2916 CCCCOCC(=O)CC1CCO1 1458a_100000757543_100000103362 [0,1,0,1,0,0|1,0,1]=4 30911 B13R1.2916 CCCCSCC(=O)CC1CCO1 1458a_100000191162_100000103362 [0,1,0,1,0,0|1,0,1]=4 30912 B13R1.2916 CN(CCCCCF)CC1CCC1 2230a_200000750244_100000729378 [0,1,0,1,0,0|2,0,0]=4 30913 B13R1.2916 CN(CCCCCF)CC1CCC1 269982a_200000750244_100000729378 [0,1,0,1,0,0|2,0,0]=4 30914 B13R1.2916 CN(CCCCCF)CC1CCC1 34a_200000750244_100000729378 [0,1,0,1,0,0|2,0,0]=4 30915 B13R1.2916 CN(CCCCCO)CC1CCC1 2230a_100000722520_100000763275 [0,1,0,1,0,0|1,0,0]=3 30916 B13R1.2916 CN(CCCCCO)CC1CCC1 2230a_200000750244_100000746330 [0,1,0,1,0,0|1,0,0]=3 30917 B13R1.2916 CN(CCCCCO)CC1CCC1 269982a_100000722520_100000763275 [0,1,0,1,0,0|1,0,0]=3 30918 B13R1.2916 CN(CCCCCO)CC1CCC1 269982a_200000750244_100000746330 [0,1,0,1,0,0|1,0,0]=3 30919 B13R1.2916 CN(CCCCCO)CC1CCC1 34a_200000750244_100000746330 [0,1,0,1,0,0|1,0,0]=3 30920 B13R1.2916 CN(CCCCCO)CC1CCO1 2230a_100000722520_100000103362 [0,1,0,1,0,0|2,0,0]=4 30921 B13R1.2916 CN(CCCCCO)CC1CCO1 269982a_100000722520_100000103362 [0,1,0,1,0,0|2,0,0]=4 30922 B13R1.2916 CN(CCCCCO)CC1COC1 2230a_100000722520_100010264016 [0,1,0,1,0,0|2,0,0]=4 30923 B13R1.2916 CN(CCCCCO)CC1COC1 269982a_100000722520_100010264016 [0,1,0,1,0,0|2,0,0]=4 30924 B13R1.2916 CN(CCOCCO)CC1CCC1 2230a_100000228057_100000763275 [0,1,0,1,0,0|2,0,0]=4 30925 B13R1.2916 CN(CCOCCO)CC1CCC1 2230a_200000750244_100011215305 [0,1,0,1,0,0|2,0,0]=4 30926 B13R1.2916 CN(CCOCCO)CC1CCC1 269982a_100000228057_100000763275 [0,1,0,1,0,0|2,0,0]=4 30927 B13R1.2916 CN(CCOCCO)CC1CCC1 269982a_200000750244_100011215305 [0,1,0,1,0,0|2,0,0]=4 30928 B13R1.2916 CN(CCOCCO)CC1CCC1 34a_200000750244_100000692535 [0,1,0,1,0,0|2,0,0]=4 30929 B13R1.2916 O=C(CC1CCC1)NCCCCO 240690a_100000750430_100000763092 [0,1,0,1,0,0|1,0,1]=4 30930 B13R1.2916 O=C(CC1CCC1)NCCCCO 527a_100000750430_100000763092 [0,1,0,1,0,0|1,0,1]=4 30931 B13R1.2916 O=C(CCCCCF)CC1CCC1 1458a_100000763092_100000729378 [0,1,0,1,0,0|1,0,1]=4 30932 B13R1.2916 O=C(CCCCCO)CC1CCC1 1458a_100000763092_100000746330 [0,1,0,1,0,0|0,0,1]=3 30933 B13R1.2916 O=C(CCCCCO)CC1CCC1 1458a_100102619762_100000763275 [0,1,0,1,0,0|0,0,1]=3 30934 B13R1.2916 O=C(CCCCCO)CC1CCO1 1458a_100102619762_100000103362 [0,1,0,1,0,0|1,0,1]=4 30935 B13R1.2916 O=C(CCCCCO)CC1COC1 1458a_100000687760_100000746330 [0,1,0,1,0,0|1,0,1]=4 30936 B13R1.2916 O=C(CCCCCO)CC1COC1 1458a_100102619762_100010264016 [0,1,0,1,0,0|1,0,1]=4 30937 B13R1.2916 O=C(CCCCCO)NC1CCC1 240690a_100000749019_100102619762 [0,1,0,1,0,0|1,0,1]=4 30938 B13R1.2916 O=C(CCOCCO)CC1CCC1 1458a_100000763092_100011215305 [0,1,0,1,0,0|1,0,1]=4 30939 B13R1.2916 O=C(CCOCCO)CC1CCC1 1458a_100011229844_100000763275 [0,1,0,1,0,0|1,0,1]=4 30940 B13R1.2917 CCCCCCC(=O)CCC1CC1 1458a_100000756386_100000210757 [0,1,0,1,0,0|1,0,1]=4 30941 B13R1.2917 CCCCCCC(=O)CCC1CC1 1458a_100102632555_100000694398 [0,1,0,1,0,0|1,0,1]=4 30942 B13R1.2917 CCCCCCC(=O)CCC1CO1 1458a_100102632555_100000732470 [0,1,0,1,0,0|0,0,1]=3 30943 B13R1.2917 CCCCCCC(C)NCC1CC1 2230a_100000210919_100000742324 [0,1,0,1,0,0|2,0,0]=4 30944 B13R1.2917 CCCCCCC(C)NCC1CC1 2230a_100000735609_100011215978 [0,1,0,1,0,0|2,0,0]=4 30945 B13R1.2917 CCCCCCC(C)NCC1CC1 269862a_100000210919_100000741477 [0,1,0,1,0,0|2,0,0]=4 30946 B13R1.2917 CCCCCCC(C)NCC1CC1 270004a_100000735609_100000210826 [0,1,0,1,0,0|2,0,0]=4 30947 B13R1.2917 CCCCCCC(C)NCC1CC1 34a_100000210919_100000742324 [0,1,0,1,0,0|2,0,0]=4 30948 B13R1.2917 CCCCCCC(C)NCC1CC1 34a_100000735609_100011215978 [0,1,0,1,0,0|2,0,0]=4 30949 B13R1.2917 CCCCCCC(C)NCC1CO1 2230a_100000210919_100011216344 [0,1,0,1,0,0|1,0,0]=3 30950 B13R1.2917 CCCCCCC(C)NCC1CO1 34a_100000210919_102125554688 [0,1,0,1,0,0|1,0,0]=3 30951 B13R1.2917 CCCCCCC(C)OCC1CC1 34a_100000210265_100000742324 [0,1,0,1,0,0|2,0,0]=4 30952 B13R1.2917 CCCCCCC(C)OCC1CC1 34a_100000211283_100011215978 [0,1,0,1,0,0|2,0,0]=4 30953 B13R1.2917 CCCCCCC(C)OCC1CC1 7a_100000210265_100000742324 [0,1,0,1,0,0|2,0,0]=4 30954 B13R1.2917 CCCCCCC(C)OCC1CO1 34a_100000210265_102125554688 [0,1,0,1,0,0|1,0,0]=3 30955 B13R1.2917 CCCCCCC(C)OCC1CO1 7a_100000210265_102125554688 [0,1,0,1,0,0|1,0,0]=3 30956 B13R1.2917 CCCCCCC(C)OCC1CS1 7a_100000210265_100000031435 [0,1,0,1,0,0|1,1,0]=4 30957 B13R1.2917 CCCCCCC(C)OC[C@@H]1CO1 34a_100000757423_100011215978 [0,1,0,1,0,0|1,0,0]=3 30958 B13R1.2917 CCCCCCC(C)OC[C@@H]1CO1 7a_100000210265_100000745022 [0,1,0,1,0,0|1,0,0]=3 30959 B13R1.2917 CCCCCCC(C)SCC1CC1 62a_100000756562_100011215978 [0,1,0,1,0,0|2,0,0]=4 30960 B13R1.2917 CCCCCCC(C)SCC1CC1 62a_100011215978_100000742324 [0,1,0,1,0,0|2,0,0]=4 30961 B13R1.2917 CCCCCCC(C)SCC1CO1 62a_100011215978_102125554688 [0,1,0,1,0,0|1,0,0]=3 30962 B13R1.2917 CCCCCCC(C)SCC1CO1 62a_102125554688_100011215978 [0,1,0,1,0,0|1,0,0]=3 30963 B13R1.2917 CCCCCCC(C)SCC1CS1 62a_100000031435_100011215978 [0,1,0,1,0,0|1,1,0]=4 30964 B13R1.2917 CCCCCCC(C)SCC1CS1 62a_100011215978_100000031435 [0,1,0,1,0,0|1,1,0]=4 30965 B13R1.2917 CCCCCCC(C)SC[C@@H]1CO1 62a_100000745022_100011215978 [0,1,0,1,0,0|1,0,0]=3 30966 B13R1.2917 CCCCCCC(C)SC[C@@H]1CO1 62a_100011215978_100000745022 [0,1,0,1,0,0|1,0,0]=3 30967 B13R1.2917 CCCCCCN(C)CCC1CC1 2230a_106256046315_100000694398 [0,1,0,1,0,0|2,0,0]=4 30968 B13R1.2917 CCCCCCN(C)CCC1CC1 269982a_106256046315_100000694398 [0,1,0,1,0,0|2,0,0]=4 30969 B13R1.2917 CCCCCCN(C)CCC1CO1 2230a_106256046315_100000732470 [0,1,0,1,0,0|1,0,0]=3 30970 B13R1.2917 CCCCCCN(C)CCC1CO1 269982a_106256046315_100000732470 [0,1,0,1,0,0|1,0,0]=3 30971 B13R1.2917 CCCCOCC(=O)CCC1CO1 1458a_100000757543_100000732470 [0,1,0,1,0,0|1,0,1]=4 30972 B13R1.2917 CCCCOCC(C)OCC1CO1 34a_100011217071_102125554688 [0,1,0,1,0,0|2,0,0]=4 30973 B13R1.2917 CCCCOCC(C)OCC1CO1 7a_100011217071_102125554688 [0,1,0,1,0,0|2,0,0]=4 30974 B13R1.2917 CCCCOCC(C)OC[C@@H]1CO1 7a_100011217071_100000745022 [0,1,0,1,0,0|2,0,0]=4 30975 B13R1.2917 CCCCSCC(=O)CCC1CO1 1458a_100000191162_100000732470 [0,1,0,1,0,0|1,0,1]=4 30976 B13R1.2917 CN(CCCCCO)CCC1CC1 2230a_100000722520_100000694398 [0,1,0,1,0,0|1,0,0]=3 30977 B13R1.2917 CN(CCCCCO)CCC1CC1 269982a_100000722520_100000694398 [0,1,0,1,0,0|1,0,0]=3 30978 B13R1.2917 CN(CCCCCO)CCC1CO1 2230a_100000722520_100000732470 [0,1,0,1,0,0|2,0,0]=4 30979 B13R1.2917 CN(CCCCCO)CCC1CO1 269982a_100000722520_100000732470 [0,1,0,1,0,0|2,0,0]=4 30980 B13R1.2917 CN(CCOCCO)CCC1CC1 2230a_100000228057_100000694398 [0,1,0,1,0,0|2,0,0]=4 30981 B13R1.2917 CN(CCOCCO)CCC1CC1 269982a_100000228057_100000694398 [0,1,0,1,0,0|2,0,0]=4 30982 B13R1.2917 O=C(CCC1CC1)NCCCCO 240690a_100000750430_100000756386 [0,1,0,1,0,0|1,0,1]=4 30983 B13R1.2917 O=C(CCC1CC1)NCCCCO 527a_100000750430_100000756386 [0,1,0,1,0,0|1,0,1]=4 30984 B13R1.2917 O=C(CCCCCF)CCC1CC1 1458a_100000756386_100000729378 [0,1,0,1,0,0|1,0,1]=4 30985 B13R1.2917 O=C(CCCCCO)CCC1CC1 1458a_100000756386_100000746330 [0,1,0,1,0,0|0,0,1]=3 30986 B13R1.2917 O=C(CCCCCO)CCC1CC1 1458a_100102619762_100000694398 [0,1,0,1,0,0|0,0,1]=3 30987 B13R1.2917 O=C(CCCCCO)CCC1CO1 1458a_100102619762_100000732470 [0,1,0,1,0,0|1,0,1]=4 30988 B13R1.2917 O=C(CCCCCO)NCC1CC1 240690a_100000735609_100102619762 [0,1,0,1,0,0|1,0,1]=4 30989 B13R1.2917 O=C(CCOCCO)CCC1CC1 1458a_100000756386_100011215305 [0,1,0,1,0,0|1,0,1]=4 30990 B13R1.2917 O=C(CCOCCO)CCC1CC1 1458a_100011229844_100000694398 [0,1,0,1,0,0|1,0,1]=4 30991 B13R1.2918 CC1CCN1C(=O)CCCCCO 240690a_100000755817_100102619762 [0,1,0,1,0,0|1,0,1]=4 30992 B13R1.2918 CCCCCCC(C)N1CCC1C 269982a_100000755817_100011215978 [0,1,0,1,0,0|2,0,0]=4 30993 B13R1.2918 CCCCCCC(C)N1CCC1C 34a_100000755817_100011215978 [0,1,0,1,0,0|2,0,0]=4 30994 B13R1.3537 CCCCCC(C)OCC1CC1C 34a_100000744939_200011218191 [0,1,0,1,0,0|2,0,0]=4 30995 B13R1.3537 CCCCCC(C)OCC1CC1C 7a_100000744939_200011218191 [0,1,0,1,0,0|2,0,0]=4 30996 B13R1.3674 CC1(CCCCC1)CNCCCF 2230a_100000706052_100011934791 [0,1,0,1,0,0|2,0,0]=4 30997 B13R1.3674 CC1(CCCCC1)CNCCCF 269862a_100015189416_100011935227 [0,1,0,1,0,0|2,0,0]=4 30998 B13R1.3674 CC1(CCCCC1)CNCCCF 34a_100000706052_100011934791 [0,1,0,1,0,0|2,0,0]=4 30999 B13R1.3674 CC1(CCCCC1)CNCCCO 2230a_100000706052_100000230001 [0,1,0,1,0,0|1,0,0]=3 31000 B13R1.3674 CC1(CCCCC1)CNCCCO 269862a_100000182051_100011935227 [0,1,0,1,0,0|1,0,0]=3 31001 B13R1.3674 CC1(CCCCC1)CNCCCO 34a_100000706052_100000230001 [0,1,0,1,0,0|1,0,0]=3 31002 B13R1.3674 CC1(CCCCC1)COCCCF 34a_100000688186_100011934791 [0,1,0,1,0,0|2,0,0]=4 31003 B13R1.3674 CC1(CCCCC1)COCCCF 7a_100000688186_100011934791 [0,1,0,1,0,0|2,0,0]=4 31004 B13R1.3674 CC1(CCCCC1)COCCCO 34a_100000688186_100000230001 [0,1,0,1,0,0|1,0,0]=3 31005 B13R1.3674 CC1(CCCCC1)COCCCO 7a_100000688186_100011215043 [0,1,0,1,0,0|1,0,0]=3 31006 B13R1.3674 CC1(CCCCC1)NCCCCF 2230a_100000741114_100000729493 [0,1,0,1,0,0|2,0,0]=4 31007 B13R1.3674 CC1(CCCCC1)NCCCCF 34a_100000741114_100000729493 [0,1,0,1,0,0|2,0,0]=4 31008 B13R1.3674 CC1(CCCCC1)NCCCCO 2230a_100000741114_100000210776 [0,1,0,1,0,0|1,0,0]=3 31009 B13R1.3674 CC1(CCCCC1)NCCCCO 34a_100000741114_100011216708 [0,1,0,1,0,0|1,0,0]=3 31010 B13R1.3674 CC1(CCCCC1)OCCCCF 34a_100011215885_100000729493 [0,1,0,1,0,0|2,0,0]=4 31011 B13R1.3674 CC1(CCCCC1)OCCCCF 7a_100011215885_100000729493 [0,1,0,1,0,0|2,0,0]=4 31012 B13R1.3674 CC1(CCCCC1)OCCCCO 34a_100011215885_100011216708 [0,1,0,1,0,0|1,0,0]=3 31013 B13R1.3674 CC1(CCCCC1)OCCCCO 7a_100011215885_100000210776 [0,1,0,1,0,0|1,0,0]=3 31014 B13R1.3674 CC1(CCOCC1)CNCCCO 2230a_100000695556_100000230001 [0,1,0,1,0,0|2,0,0]=4 31015 B13R1.3674 CC1(CCOCC1)CNCCCO 269862a_100000182051_100000701351 [0,1,0,1,0,0|2,0,0]=4 31016 B13R1.3674 CC1(CCOCC1)CNCCCO 34a_100000695556_100000230001 [0,1,0,1,0,0|2,0,0]=4 31017 B13R1.3674 CC1(CCOCC1)COCCCO 34a_100000704393_100000230001 [0,1,0,1,0,0|2,0,0]=4 31018 B13R1.3674 CC1(CCOCC1)COCCCO 7a_100000704393_100011215043 [0,1,0,1,0,0|2,0,0]=4 31019 B13R1.3674 CC1(CCOCC1)NCCCCO 2230a_100000692449_100000210776 [0,1,0,1,0,0|2,0,0]=4 31020 B13R1.3674 CC1(CCOCC1)NCCCCO 34a_100000692449_100011216708 [0,1,0,1,0,0|2,0,0]=4 31021 B13R1.3674 CC1(CCOCC1)OCCCCO 34a_100011827762_100011216708 [0,1,0,1,0,0|2,0,0]=4 31022 B13R1.3674 CC1(CCOCC1)OCCCCO 7a_100011827762_100000210776 [0,1,0,1,0,0|2,0,0]=4 31023 B13R1.3674 CC1(CCSCC1)OCCCCO 34a_200011004327_100011216708 [0,1,0,1,0,0|2,0,0]=4 31024 B13R1.3674 CC1(CCSCC1)OCCCCO 7a_200011004327_100000210776 [0,1,0,1,0,0|2,0,0]=4 31025 B13R1.3674 CCCCCNC1(CCCCC1)C 2230a_100000741114_100000210326 [0,1,0,1,0,0|2,0,0]=4 31026 B13R1.3674 CCCCCNC1(CCCCC1)C 34a_100000741114_100000718602 [0,1,0,1,0,0|2,0,0]=4 31027 B13R1.3674 CCCCCOC1(CCCCC1)C 34a_100011215885_100000718602 [0,1,0,1,0,0|2,0,0]=4 31028 B13R1.3674 CCCCCOC1(CCCCC1)C 7a_100011215885_100000210326 [0,1,0,1,0,0|2,0,0]=4 31029 B13R1.3674 CCCCNCC1(CCCCC1)C 2230a_100000706052_100000210211 [0,1,0,1,0,0|2,0,0]=4 31030 B13R1.3674 CCCCNCC1(CCCCC1)C 269862a_100000102301_100011935227 [0,1,0,1,0,0|2,0,0]=4 31031 B13R1.3674 CCCCNCC1(CCCCC1)C 34a_100000706052_100000210210 [0,1,0,1,0,0|2,0,0]=4 31032 B13R1.3674 CCCCNCC1(CCCCC1)O 2230a_100000748649_100000210211 [0,1,0,1,0,0|2,0,0]=4 31033 B13R1.3674 CCCCNCC1(CCCCC1)O 34a_100000748649_100000210210 [0,1,0,1,0,0|2,0,0]=4 31034 B13R1.3674 CCCCOCC1(CCCCC1)C 34a_100000688186_100000210210 [0,1,0,1,0,0|2,0,0]=4 31035 B13R1.3674 CCCCOCC1(CCCCC1)C 7a_100000688186_100000210211 [0,1,0,1,0,0|2,0,0]=4 31036 B13R1.3674 CCCCOCC1(CCCCC1)F 34a_100000090305_100000210210 [0,1,0,1,0,0|2,0,0]=4 31037 B13R1.3674 CCCCOCC1(CCCCC1)F 7a_100000090305_100000210211 [0,1,0,1,0,0|2,0,0]=4 31038 B13R1.3674 CCCCOCC1(CCCCC1)N 34a_100000740034_100000210210 [0,1,0,1,0,0|2,0,0]=4 31039 B13R1.3674 CCCNCCC1(CCCCC1)O 2230a_100102740465_100000210303 [0,1,0,1,0,0|2,0,0]=4 31040 B13R1.3674 CCCNCCC1(CCCCC1)O 34a_100102740465_100000210303 [0,1,0,1,0,0|2,0,0]=4 31041 B13R1.3674 FCCCOCC1(CCCCC1)F 34a_100000090305_100011934791 [0,1,0,1,0,0|2,0,0]=4 31042 B13R1.3674 FCCCOCC1(CCCCC1)F 7a_100000090305_100011934791 [0,1,0,1,0,0|2,0,0]=4 31043 B13R1.3674 NC1(CCCCC1)COCCCF 34a_100000740034_100011934791 [0,1,0,1,0,0|2,0,0]=4 31044 B13R1.3674 NC1(CCCCC1)COCCCO 34a_100000740034_100000230001 [0,1,0,1,0,0|1,0,0]=3 31045 B13R1.3674 NC1(CCOCC1)COCCCO 34a_100000751404_100000230001 [0,1,0,1,0,0|2,0,0]=4 31046 B13R1.3674 OC1(CCCCC1)CCNCCF 2230a_100102740465_100011217306 [0,1,0,1,0,0|2,0,0]=4 31047 B13R1.3674 OC1(CCCCC1)CCNCCF 34a_100102740465_100011217306 [0,1,0,1,0,0|2,0,0]=4 31048 B13R1.3674 OC1(CCCCC1)CNCCCF 2230a_100000748649_100011934791 [0,1,0,1,0,0|2,0,0]=4 31049 B13R1.3674 OC1(CCCCC1)CNCCCF 34a_100000748649_100011934791 [0,1,0,1,0,0|2,0,0]=4 31050 B13R1.3674 OCCCNCC1(CCCCC1)O 2230a_100000748649_100000230001 [0,1,0,1,0,0|1,0,0]=3 31051 B13R1.3674 OCCCNCC1(CCCCC1)O 34a_100000748649_100000230001 [0,1,0,1,0,0|1,0,0]=3 31052 B13R1.3674 OCCCNCC1(CCOCC1)F 2230a_100016991512_100000230001 [0,1,0,1,0,0|2,0,0]=4 31053 B13R1.3674 OCCCNCC1(CCOCC1)F 34a_100016991512_100000230001 [0,1,0,1,0,0|2,0,0]=4 31054 B13R1.3674 OCCCNCC1(CCOCC1)O 2230a_100000704115_100000230001 [0,1,0,1,0,0|2,0,0]=4 31055 B13R1.3674 OCCCNCC1(CCOCC1)O 34a_100000704115_100000230001 [0,1,0,1,0,0|2,0,0]=4 31056 B13R1.3674 OCCCNCC1(CCSCC1)O 2230a_100000758141_100000230001 [0,1,0,1,0,0|2,0,0]=4 31057 B13R1.3674 OCCCOCC1(CCCCC1)F 34a_100000090305_100000230001 [0,1,0,1,0,0|1,0,0]=3 31058 B13R1.3674 OCCCOCC1(CCCCC1)F 7a_100000090305_100011215043 [0,1,0,1,0,0|1,0,0]=3 31059 B13R1.3674 OCCCOCC1(CCNCC1)F 34a_100016990393_100000230001 [0,1,0,1,0,0|2,0,0]=4 31060 B13R1.3674 OCCNCCC1(CCCCC1)O 2230a_100102740465_100000211926 [0,1,0,1,0,0|1,0,0]=3 31061 B13R1.3674 OCCNCCC1(CCCCC1)O 34a_100102740465_100000211926 [0,1,0,1,0,0|1,0,0]=3 31062 B13R1.4964 CCCCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000718602 [0,1,0,1,0,0|2,0,0]=4 31063 B13R1.4964 C[C@]1(CCC[C@H]1N)OCCCCO 34a_100015977457_100011216708 [0,1,0,1,0,0|2,0,0]=4 31064 B13R1.8919 CC1CCCC(C1NCCCF)C 269862a_100015189416_100000211995 [0,1,0,1,0,0|2,0,0]=4 31065 B13R1.8919 CC1CCCC(C1NCCCO)C 269862a_100000182051_100000211995 [0,1,0,1,0,0|1,0,0]=3 31066 B13R1.8919 CC1CCCC(C1OCCCF)C 34a_100011218088_100011934791 [0,1,0,1,0,0|2,0,0]=4 31067 B13R1.8919 CC1CCCC(C1OCCCF)C 7a_100011218088_100011934791 [0,1,0,1,0,0|2,0,0]=4 31068 B13R1.8919 CC1CCCC(C1OCCCO)C 34a_100011218088_100000230001 [0,1,0,1,0,0|1,0,0]=3 31069 B13R1.8919 CC1CCCC(C1OCCCO)C 7a_100011218088_100011215043 [0,1,0,1,0,0|1,0,0]=3 31070 B13R1.8919 CC1CCCC(N1CCCCF)C 2230a_100000210447_100000729493 [0,1,0,1,0,0|2,0,0]=4 31071 B13R1.8919 CC1CCCC(N1CCCCF)C 269982a_100000210447_100000729493 [0,1,0,1,0,0|2,0,0]=4 31072 B13R1.8919 CC1CCCC(N1CCCCF)C 34a_100000210447_100000729493 [0,1,0,1,0,0|2,0,0]=4 31073 B13R1.8919 CC1CCCC(N1CCCCO)C 2230a_100000210447_100000210776 [0,1,0,1,0,0|1,0,0]=3 31074 B13R1.8919 CC1CCCC(N1CCCCO)C 269982a_100000210447_100000210776 [0,1,0,1,0,0|1,0,0]=3 31075 B13R1.8919 CC1CCCC(N1CCCCO)C 34a_100000210447_100011216708 [0,1,0,1,0,0|1,0,0]=3 31076 B13R1.8919 CCCCCN1C(CCCC1C)C 2230a_100000210447_100000210326 [0,1,0,1,0,0|2,0,0]=4 31077 B13R1.8919 CCCCCN1C(CCCC1C)C 269982a_100000210447_100000210215 [0,1,0,1,0,0|2,0,0]=4 31078 B13R1.8919 CCCCCN1C(CCCC1C)C 34a_100000210447_100000718602 [0,1,0,1,0,0|2,0,0]=4 31079 B13R1.8919 CCCCNC1C(CCCC1C)C 269862a_100000102301_100000211995 [0,1,0,1,0,0|2,0,0]=4 31080 B13R1.8919 CCCCOC1C(CCCC1C)C 34a_100011218088_100000210210 [0,1,0,1,0,0|2,0,0]=4 31081 B13R1.8919 CCCCOC1C(CCCC1C)C 7a_100011218088_100000210211 [0,1,0,1,0,0|2,0,0]=4 31082 B13R1.8919 C[C@@H]1COC[C@@H](N1CCCCO)C 2230a_100103153222_100000210776 [0,1,0,1,0,0|2,0,0]=4 31083 B13R1.8919 C[C@@H]1COC[C@@H](N1CCCCO)C 269982a_100103153222_100000210776 [0,1,0,1,0,0|2,0,0]=4 31084 B13R1.8919 C[C@@H]1COC[C@@H](N1CCCCO)C 34a_100103153222_100011216708 [0,1,0,1,0,0|2,0,0]=4 31085 B13R1.27 CC1CCC(C1)NCCCCCO 270004a_100000762737_100011215218 [0,1,0,1,0,0|1,0,0]=3 31086 B13R1.27 CC1CCC(C1)NCCOCCO 270004a_100000211614_100011215218 [0,1,0,1,0,0|2,0,0]=4 31087 B13R1.27 CC1CCC(C1)NCCSCCO 270004a_100011219999_100011215218 [0,1,0,1,0,0|2,0,0]=4 31088 B13R1.27 CC1CCC(C1)OCCCCCF 34a_100000698185_100000729378 [0,1,0,1,0,0|2,0,0]=4 31089 B13R1.27 CC1CCC(C1)OCCCCCO 34a_100000698185_100000746330 [0,1,0,1,0,0|1,0,0]=3 31090 B13R1.27 CC1CCC(C1)OCCOCCO 34a_100000698185_100000692535 [0,1,0,1,0,0|2,0,0]=4 31091 B13R1.27 CCCCCCCN1CCC(C1)O 2230a_100011215560_100000210681 [0,1,0,1,0,0|1,0,0]=3 31092 B13R1.27 CCCCCCCN1CCC(C1)O 269982a_100011215560_100000210681 [0,1,0,1,0,0|1,0,0]=3 31093 B13R1.27 CCCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210681 [0,1,0,1,0,0|2,0,0]=4 31094 B13R1.27 CCCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210681 [0,1,0,1,0,0|2,0,0]=4 31095 B13R1.27 CCCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000210614 [0,1,0,1,0,0|2,0,0]=4 31096 B13R1.27 CCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210681 [0,1,0,1,0,0|2,0,0]=4 31097 B13R1.27 CCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210681 [0,1,0,1,0,0|2,0,0]=4 31098 B13R1.27 CCCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210614 [0,1,0,1,0,0|2,0,0]=4 31099 B13R1.27 CCCCCCNC1CCC(C1)C 270004a_100000210581_100011215218 [0,1,0,1,0,0|2,0,0]=4 31100 B13R1.27 CCCCCCNC1CCC(C1)O 270004a_100000210581_100012614533 [0,1,0,1,0,0|1,0,0]=3 31101 B13R1.27 CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210314 [0,1,0,1,0,0|1,0,0]=3 31102 B13R1.27 CCCCCCOC1CCC(C1)C 34a_100000698185_100000210314 [0,1,0,1,0,0|2,0,0]=4 31103 B13R1.27 CCCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000718602 [0,1,0,1,0,0|2,0,0]=4 31104 B13R1.27 CCCCOCCN1CCC(C1)O 2230a_100011215560_100000743108 [0,1,0,1,0,0|2,0,0]=4 31105 B13R1.27 CCCCOCCN1CCC(C1)O 269982a_100011215560_100000743108 [0,1,0,1,0,0|2,0,0]=4 31106 B13R1.27 CCCCOCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011995733 [0,1,0,1,0,0|2,0,0]=4 31107 B13R1.27 CCCOCCNC1CCC(C1)O 270004a_100161115042_100012614533 [0,1,0,1,0,0|2,0,0]=4 31108 B13R1.27 CCCOCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215938 [0,1,0,1,0,0|2,0,0]=4 31109 B13R1.27 CCCSCCNC1CCC(C1)O 270004a_100020603323_100012614533 [0,1,0,1,0,0|2,0,0]=4 31110 B13R1.27 CCOCCCNC1CCC(C1)O 270004a_100000210961_100012614533 [0,1,0,1,0,0|2,0,0]=4 31111 B13R1.27 CCOCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100012232248 [0,1,0,1,0,0|2,0,0]=4 31112 B13R1.27 CN1CCC(C1)CNCCCCO 34a_100000750430_200000690779 [0,1,0,1,0,0|2,0,0]=4 31113 B13R1.27 CN1CCC(C1)CSCCCCO 62a_100000210776_200000690779 [0,1,0,1,0,0|2,0,0]=4 31114 B13R1.27 CN1CCC(C1)CSCCCCO 62a_200000690779_100000210776 [0,1,0,1,0,0|2,0,0]=4 31115 B13R1.27 CN1CCC(C1)SCCCCCO 62a_100000746330_200012183744 [0,1,0,1,0,0|2,0,0]=4 31116 B13R1.27 COCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000730899 [0,1,0,1,0,0|2,0,0]=4 31117 B13R1.27 C[C@@H]1CCN(C1)CCCCCCF 2230a_100016987628_100015922095 [0,1,0,1,0,0|2,0,0]=4 31118 B13R1.27 C[C@@H]1CCN(C1)CCCCCCF 269982a_100016987628_100015922095 [0,1,0,1,0,0|2,0,0]=4 31119 B13R1.27 C[C@@H]1CCN(C1)CCCCCCF 34a_100016987628_100015922095 [0,1,0,1,0,0|2,0,0]=4 31120 B13R1.27 C[C@@H]1CCN(C1)CCCCCCO 2230a_100016987628_100000766143 [0,1,0,1,0,0|1,0,0]=3 31121 B13R1.27 C[C@@H]1CCN(C1)CCCCCCO 269982a_100016987628_100000766143 [0,1,0,1,0,0|1,0,0]=3 31122 B13R1.27 C[C@@H]1CCN(C1)CCCCCCO 34a_100016987628_100000766143 [0,1,0,1,0,0|1,0,0]=3 31123 B13R1.27 FCCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100015922095 [0,1,0,1,0,0|2,0,0]=4 31124 B13R1.27 FCCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100015922095 [0,1,0,1,0,0|2,0,0]=4 31125 B13R1.27 FCCCCCCN1CC[C@@H](C1)F 34a_100015203821_100015922095 [0,1,0,1,0,0|2,0,0]=4 31126 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,1,0,1,0,0|1,0,1]=4 31127 B13R1.27 OC1CCN(C1)CCCCCCF 2230a_100011215560_100015922095 [0,1,0,1,0,0|2,0,0]=4 31128 B13R1.27 OC1CCN(C1)CCCCCCF 269982a_100011215560_100015922095 [0,1,0,1,0,0|2,0,0]=4 31129 B13R1.27 OCCCCCCN1CCC(C1)O 2230a_100011215560_100000766143 [0,1,0,1,0,0|1,0,0]=3 31130 B13R1.27 OCCCCCCN1CCC(C1)O 269982a_100011215560_100000766143 [0,1,0,1,0,0|1,0,0]=3 31131 B13R1.27 OCCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000766143 [0,1,0,1,0,0|1,0,0]=3 31132 B13R1.27 OCCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000766143 [0,1,0,1,0,0|1,0,0]=3 31133 B13R1.27 OCCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000766143 [0,1,0,1,0,0|1,0,0]=3 31134 B13R1.27 OCCCCCNC1CCC(C1)O 270004a_100000762737_100012614533 [0,1,0,1,0,0|1,0,0]=3 31135 B13R1.27 OCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000746330 [0,1,0,1,0,0|1,0,0]=3 31136 B13R1.27 OCCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100011216708 [0,1,0,1,0,0|2,0,0]=4 31137 B13R1.27 OCCOCCNC1CCC(C1)O 270004a_100000211614_100012614533 [0,1,0,1,0,0|2,0,0]=4 31138 B13R1.27 OCCOCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215305 [0,1,0,1,0,0|2,0,0]=4 31139 B13R1.27 OCCSCCNC1CCC(C1)O 270004a_100011219999_100012614533 [0,1,0,1,0,0|2,0,0]=4 31140 B13R1.27 O[C@@H]1CC[C@@H](C1)NCCCCCF 2230a_100015195300_100000729378 [0,1,0,1,0,0|2,0,0]=4 31141 B13R1.44 CC(CC1CCCCC1)NCCO 270004a_100000210304_100011215996 [0,1,0,1,0,0|1,0,0]=3 31142 B13R1.44 CC(CCCCl)OC1CCCCC1 34a_200000718107_100000210327 [0,1,0,1,0,0|2,0,0]=4 31143 B13R1.44 CC(CCCCl)OC1CCCCC1 7a_200000718107_100000210327 [0,1,0,1,0,0|2,0,0]=4 31144 B13R1.44 CC(CN1CCCCC1)NCCO 2230a_100000738326_100000211926 [0,1,0,1,0,0|2,0,0]=4 31145 B13R1.44 CC(CN1CCCCC1)SCCO 62a_100000211926_100009831500 [0,1,0,1,0,0|2,0,0]=4 31146 B13R1.44 CC(CN1CCCCC1)SCCO 62a_100009831500_100000211926 [0,1,0,1,0,0|2,0,0]=4 31147 B13R1.44 CCCCC(=O)CC1CCCCC1 1458a_100000210183_100000211423 [0,1,0,1,0,0|1,0,1]=4 31148 B13R1.44 CCCCC(=O)CC1CCCCC1 1458a_100000211666_100000210211 [0,1,0,1,0,0|1,0,1]=4 31149 B13R1.44 CCCCC(=O)CC1CCCCO1 1458a_100000210183_100000211543 [0,1,0,1,0,0|0,0,1]=3 31150 B13R1.44 CCCCC(=O)CC1CCCCO1 1458a_100000238585_100000210211 [0,1,0,1,0,0|0,0,1]=3 31151 B13R1.44 CCCCC(C)NC1CCCCC1 2230a_100000182618_200011215066 [0,1,0,1,0,0|2,0,0]=4 31152 B13R1.44 CCCCC(C)NC1CCCCC1 270004a_100000126638_100000210434 [0,1,0,1,0,0|2,0,0]=4 31153 B13R1.44 CCCCC(C)NC1CCCCC1 270004a_100000182618_100000210087 [0,1,0,1,0,0|2,0,0]=4 31154 B13R1.44 CCCCC(C)NC1CCCCC1 34a_100000182618_200011215066 [0,1,0,1,0,0|2,0,0]=4 31155 B13R1.44 CCCCC(C)OC1CCCCC1 34a_100000210231_200011215066 [0,1,0,1,0,0|2,0,0]=4 31156 B13R1.44 CCCCC(C)OC1CCCCC1 34a_100000687866_100000210327 [0,1,0,1,0,0|2,0,0]=4 31157 B13R1.44 CCCCC(C)OC1CCCCC1 7a_100000210231_200011215066 [0,1,0,1,0,0|2,0,0]=4 31158 B13R1.44 CCCCC(C)OC1CCCCC1 7a_100000687866_100000210327 [0,1,0,1,0,0|2,0,0]=4 31159 B13R1.44 CCCCC(C)OC1CCCCO1 34a_100000033831_200011215066 [0,1,0,1,0,0|1,0,0]=3 31160 B13R1.44 CCCCC(C)SC1CCCCC1 62a_100000210327_200011215066 [0,1,0,1,0,0|2,0,0]=4 31161 B13R1.44 CCCCC(C)SC1CCCCC1 62a_200011215066_100000210327 [0,1,0,1,0,0|2,0,0]=4 31162 B13R1.44 CCCCN(C)CC1CCCCC1 2230a_100000207549_100000211423 [0,1,0,1,0,0|2,0,0]=4 31163 B13R1.44 CCCCN(C)CC1CCCCC1 2230a_100000736448_100000210211 [0,1,0,1,0,0|2,0,0]=4 31164 B13R1.44 CCCCN(C)CC1CCCCC1 269982a_100000207549_100000211423 [0,1,0,1,0,0|2,0,0]=4 31165 B13R1.44 CCCCN(C)CC1CCCCC1 269982a_100000736448_100000210211 [0,1,0,1,0,0|2,0,0]=4 31166 B13R1.44 CCCCN(C)CC1CCCCC1 34a_100000736448_100000210210 [0,1,0,1,0,0|2,0,0]=4 31167 B13R1.44 CCCCN(C)CC1CCCCO1 2230a_100000207549_100000211543 [0,1,0,1,0,0|1,0,0]=3 31168 B13R1.44 CCCCN(C)CC1CCCCO1 2230a_100000225654_100000210211 [0,1,0,1,0,0|1,0,0]=3 31169 B13R1.44 CCCCN(C)CC1CCCCO1 269982a_100000207549_100000211543 [0,1,0,1,0,0|1,0,0]=3 31170 B13R1.44 CCCCN(C)CC1CCCCO1 269982a_100000225654_100000210211 [0,1,0,1,0,0|1,0,0]=3 31171 B13R1.44 CCCCN(C)CC1CCCCO1 34a_100000225654_100000210210 [0,1,0,1,0,0|1,0,0]=3 31172 B13R1.44 CCCCN(C)CC1COCCO1 2230a_100011398995_100000210211 [0,1,0,1,0,0|2,0,0]=4 31173 B13R1.44 CCCCN(C)CC1COCCO1 269982a_100011398995_100000210211 [0,1,0,1,0,0|2,0,0]=4 31174 B13R1.44 CCCCN(C)CC1COCCO1 34a_100011398995_100000210210 [0,1,0,1,0,0|2,0,0]=4 31175 B13R1.44 CCCNC(=O)CC1CCCCO1 11a_100020643023_100000238585 [0,1,0,1,0,0|1,0,1]=4 31176 B13R1.44 CCCNC(=O)CC1CCCCO1 1626a_100020643023_100000238585 [0,1,0,1,0,0|1,0,1]=4 31177 B13R1.44 CCCNC(=O)CC1CCCCO1 240690a_100020643023_100000238585 [0,1,0,1,0,0|1,0,1]=4 31178 B13R1.44 CCCNC(=O)CC1CCCCO1 527a_100020643023_100000238585 [0,1,0,1,0,0|1,0,1]=4 31179 B13R1.44 CCCNC(C)CC1CCCCC1 270004a_100020643023_100011215996 [0,1,0,1,0,0|2,0,0]=4 31180 B13R1.44 CCOCC(=O)CC1CCCCO1 1458a_100000211967_100000211543 [0,1,0,1,0,0|1,0,1]=4 31181 B13R1.44 CCOCN(C)CC1CCCCO1 269982a_100000225654_100000739092 [0,1,0,1,0,0|2,0,0]=4 31182 B13R1.44 CCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100000210202 [0,1,0,1,0,0|2,0,0]=4 31183 B13R1.44 CCSCC(=O)CC1CCCCO1 1458a_100000230394_100000211543 [0,1,0,1,0,0|1,0,1]=4 31184 B13R1.44 CN(CCCF)CC1CCCCC1 2230a_100000736448_100011934791 [0,1,0,1,0,0|2,0,0]=4 31185 B13R1.44 CN(CCCF)CC1CCCCC1 269982a_100000736448_100011934791 [0,1,0,1,0,0|2,0,0]=4 31186 B13R1.44 CN(CCCF)CC1CCCCC1 34a_100000736448_100011934791 [0,1,0,1,0,0|2,0,0]=4 31187 B13R1.44 CN(CCCF)CC1CCCCO1 2230a_100000225654_100011934791 [0,1,0,1,0,0|2,0,0]=4 31188 B13R1.44 CN(CCCF)CC1CCCCO1 269982a_100000225654_100011934791 [0,1,0,1,0,0|2,0,0]=4 31189 B13R1.44 CN(CCCF)CC1CCCCO1 34a_100000225654_100011934791 [0,1,0,1,0,0|2,0,0]=4 31190 B13R1.44 CN(CCCO)CC1CCCCC1 2230a_100000213112_100000211423 [0,1,0,1,0,0|1,0,0]=3 31191 B13R1.44 CN(CCCO)CC1CCCCC1 2230a_100000736448_100000230001 [0,1,0,1,0,0|1,0,0]=3 31192 B13R1.44 CN(CCCO)CC1CCCCC1 269982a_100000213112_100000211423 [0,1,0,1,0,0|1,0,0]=3 31193 B13R1.44 CN(CCCO)CC1CCCCC1 269982a_100000736448_100011215043 [0,1,0,1,0,0|1,0,0]=3 31194 B13R1.44 CN(CCCO)CC1CCCCC1 34a_100000736448_100000230001 [0,1,0,1,0,0|1,0,0]=3 31195 B13R1.44 CN(CCCO)CC1CCCCO1 2230a_100000213112_100000211543 [0,1,0,1,0,0|2,0,0]=4 31196 B13R1.44 CN(CCCO)CC1CCCCO1 2230a_100000225654_100000230001 [0,1,0,1,0,0|2,0,0]=4 31197 B13R1.44 CN(CCCO)CC1CCCCO1 269982a_100000213112_100000211543 [0,1,0,1,0,0|2,0,0]=4 31198 B13R1.44 CN(CCCO)CC1CCCCO1 269982a_100000225654_100011215043 [0,1,0,1,0,0|2,0,0]=4 31199 B13R1.44 CN(CCCO)CC1CCCCO1 34a_100000225654_100000230001 [0,1,0,1,0,0|2,0,0]=4 31200 B13R1.44 CN(CCCO)CC1CCCOC1 2230a_100000213112_100000741521 [0,1,0,1,0,0|2,0,0]=4 31201 B13R1.44 CN(CCCO)CC1CCCOC1 269982a_100000213112_100000741521 [0,1,0,1,0,0|2,0,0]=4 31202 B13R1.44 CN(CCCO)CC1CCOCC1 2230a_100000213112_100000754603 [0,1,0,1,0,0|2,0,0]=4 31203 B13R1.44 CN(CCCO)CC1CCOCC1 2230a_100025706683_100000230001 [0,1,0,1,0,0|2,0,0]=4 31204 B13R1.44 CN(CCCO)CC1CCOCC1 269982a_100000213112_100000754603 [0,1,0,1,0,0|2,0,0]=4 31205 B13R1.44 CN(CCCO)CC1CCOCC1 269982a_100025706683_100011215043 [0,1,0,1,0,0|2,0,0]=4 31206 B13R1.44 CN(CCCO)CC1CCOCC1 34a_100025706683_100000230001 [0,1,0,1,0,0|2,0,0]=4 31207 B13R1.44 CN(CCCO)CC1CCSCC1 2230a_100011935259_100000230001 [0,1,0,1,0,0|2,0,0]=4 31208 B13R1.44 CN(CCCO)CC1CCSCC1 269982a_100011935259_100011215043 [0,1,0,1,0,0|2,0,0]=4 31209 B13R1.44 CN(CCCO)CC1CCSCC1 270004a_100000213112_100000067145 [0,1,0,1,0,0|2,0,0]=4 31210 B13R1.44 CN(CCCO)CC1CCSCC1 34a_100011935259_100000230001 [0,1,0,1,0,0|2,0,0]=4 31211 B13R1.44 COCCC(=O)CC1CCCCO1 1458a_100000238585_100000233755 [0,1,0,1,0,0|1,0,1]=4 31212 B13R1.44 COCCC(=O)CC1CCCCO1 1458a_100000749529_100000211543 [0,1,0,1,0,0|1,0,1]=4 31213 B13R1.44 COCCN(C)CC1CCCCO1 2230a_100000225654_100011201679 [0,1,0,1,0,0|2,0,0]=4 31214 B13R1.44 COCCN(C)CC1CCCCO1 2230a_100000743101_100000211543 [0,1,0,1,0,0|2,0,0]=4 31215 B13R1.44 COCCN(C)CC1CCCCO1 269982a_100000225654_100000233755 [0,1,0,1,0,0|2,0,0]=4 31216 B13R1.44 COCCN(C)CC1CCCCO1 269982a_100000743101_100000211543 [0,1,0,1,0,0|2,0,0]=4 31217 B13R1.44 COCCN(C)CC1CCCCO1 34a_100000225654_100011201679 [0,1,0,1,0,0|2,0,0]=4 31218 B13R1.44 CSCCC(=O)CC1CCCCO1 1458a_100000174002_100000211543 [0,1,0,1,0,0|1,0,1]=4 31219 B13R1.44 CSCCC(=O)CC1CCCCO1 1458a_100000238585_100000751147 [0,1,0,1,0,0|1,0,1]=4 31220 B13R1.44 CSCCN(C)CC1CCCCO1 2230a_100000225654_100000751147 [0,1,0,1,0,0|2,0,0]=4 31221 B13R1.44 CSCCN(C)CC1CCCCO1 2230a_100000686725_100000211543 [0,1,0,1,0,0|2,0,0]=4 31222 B13R1.44 CSCCN(C)CC1CCCCO1 269982a_100000225654_100000212216 [0,1,0,1,0,0|2,0,0]=4 31223 B13R1.44 CSCCN(C)CC1CCCCO1 269982a_100000686725_100000211543 [0,1,0,1,0,0|2,0,0]=4 31224 B13R1.44 CSCCN(C)CC1CCCCO1 34a_100000225654_100000212216 [0,1,0,1,0,0|2,0,0]=4 31225 B13R1.44 N[C@H](COCF)CC1CCCCC1 34a_100015184289_100015361967 [0,1,0,1,0,0|2,0,0]=4 31226 B13R1.44 O=C(CC1CCCCC1)NCCO 240690a_100000210304_100000211666 [0,1,0,1,0,0|1,0,1]=4 31227 B13R1.44 O=C(CC1CCCCC1)NCCO 527a_100000210304_100000211666 [0,1,0,1,0,0|1,0,1]=4 31228 B13R1.44 O=C(CCCF)CC1CCCCC1 1458a_100000211666_100011934791 [0,1,0,1,0,0|1,0,1]=4 31229 B13R1.44 O=C(CCCF)CC1CCCCO1 1458a_100000238585_100011934791 [0,1,0,1,0,0|1,0,1]=4 31230 B13R1.44 O=C(CCCO)CC1CCCCC1 1458a_100000211666_100011215043 [0,1,0,1,0,0|0,0,1]=3 31231 B13R1.44 O=C(CCCO)CC1CCCCO1 1458a_100000238585_100011215043 [0,1,0,1,0,0|1,0,1]=4 31232 B13R1.44 O=C(CCCO)CC1CCCOC1 1458a_100000741523_100011215043 [0,1,0,1,0,0|1,0,1]=4 31233 B13R1.44 O=C(CCCO)CC1CCOCC1 1458a_100000757261_100011215043 [0,1,0,1,0,0|1,0,1]=4 31234 B13R1.44 O=C(CCCO)CN1CCCCC1 1458a_100000740322_100011215043 [0,1,0,1,0,0|1,0,1]=4 31235 B13R1.73 CCC1CN(CCN1CCCO)C 2230a_100011941019_100000230001 [0,1,0,1,0,0|2,0,0]=4 31236 B13R1.73 CCC1CN(CCN1CCCO)C 269982a_100011941019_100011215043 [0,1,0,1,0,0|2,0,0]=4 31237 B13R1.153 CC(CCCCl)OCC1CCCC1 34a_200000718107_100000740388 [0,1,0,1,0,0|2,0,0]=4 31238 B13R1.153 CC(CCCCl)OCC1CCCC1 7a_200000718107_100000740388 [0,1,0,1,0,0|2,0,0]=4 31239 B13R1.153 CC(CCCCl)OCC1CCCO1 7a_200000718107_100000203698 [0,1,0,1,0,0|2,0,0]=4 31240 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000210183_100000760354 [0,1,0,1,0,0|1,0,1]=4 31241 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000211120_100000210211 [0,1,0,1,0,0|1,0,1]=4 31242 B13R1.153 CCCCC(=O)CCC1CCCO1 1458a_100011247709_100000210211 [0,1,0,1,0,0|0,0,1]=3 31243 B13R1.153 CCCCC(=O)CCC1OCCO1 1458a_100000082924_100000210211 [0,1,0,1,0,0|1,0,1]=4 31244 B13R1.153 CCCCC(=O)CCC1OCCO1 1458a_100000210183_100000740749 [0,1,0,1,0,0|1,0,1]=4 31245 B13R1.153 CCCCC(=O)CCN1CCCO1 1458a_200015187630_100000210211 [0,1,0,1,0,0|1,0,1]=4 31246 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210183 [0,1,0,1,0,0|1,0,1]=4 31247 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210183 [0,1,0,1,0,0|1,0,1]=4 31248 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210183 [0,1,0,1,0,0|1,0,1]=4 31249 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210183 [0,1,0,1,0,0|1,0,1]=4 31250 B13R1.153 CCCCC(C)COC1CCCC1 34a_100011995851_100000179811 [0,1,0,1,0,0|2,0,0]=4 31251 B13R1.153 CCCCC(C)COC1CCCC1 7a_100011995851_100000179811 [0,1,0,1,0,0|2,0,0]=4 31252 B13R1.153 CCCCC(C)NCC1CCCC1 2230a_100000126638_100000740388 [0,1,0,1,0,0|2,0,0]=4 31253 B13R1.153 CCCCC(C)NCC1CCCC1 2230a_100000737975_200011215066 [0,1,0,1,0,0|2,0,0]=4 31254 B13R1.153 CCCCC(C)NCC1CCCC1 269862a_100000126638_100000746403 [0,1,0,1,0,0|2,0,0]=4 31255 B13R1.153 CCCCC(C)NCC1CCCC1 270004a_100000737975_100000210087 [0,1,0,1,0,0|2,0,0]=4 31256 B13R1.153 CCCCC(C)NCC1CCCC1 34a_100000737975_200011215066 [0,1,0,1,0,0|2,0,0]=4 31257 B13R1.153 CCCCC(C)NCC1CCCO1 2230a_100000126638_100000203698 [0,1,0,1,0,0|1,0,0]=3 31258 B13R1.153 CCCCC(C)NCC1OCCO1 2230a_100000036311_200011215066 [0,1,0,1,0,0|2,0,0]=4 31259 B13R1.153 CCCCC(C)NCC1OCCO1 2230a_100000126638_100000755774 [0,1,0,1,0,0|2,0,0]=4 31260 B13R1.153 CCCCC(C)NCC1OCCO1 270004a_100000036311_100000210087 [0,1,0,1,0,0|2,0,0]=4 31261 B13R1.153 CCCCC(C)NCC1OCCO1 34a_100000036311_200011215066 [0,1,0,1,0,0|2,0,0]=4 31262 B13R1.153 CCCCC(C)NC[C@@H]1CCCO1 2230a_100020590478_200011215066 [0,1,0,1,0,0|1,0,0]=3 31263 B13R1.153 CCCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000210087 [0,1,0,1,0,0|1,0,0]=3 31264 B13R1.153 CCCCC(C)NC[C@@H]1CCCO1 34a_100020590478_200011215066 [0,1,0,1,0,0|1,0,0]=3 31265 B13R1.153 CCCCC(C)OCC1CCCC1 34a_100000687866_100000740388 [0,1,0,1,0,0|2,0,0]=4 31266 B13R1.153 CCCCC(C)OCC1CCCC1 34a_100000742336_200011215066 [0,1,0,1,0,0|2,0,0]=4 31267 B13R1.153 CCCCC(C)OCC1CCCC1 7a_100000687866_100000740388 [0,1,0,1,0,0|2,0,0]=4 31268 B13R1.153 CCCCC(C)OCC1CCCC1 7a_100000742336_200011215066 [0,1,0,1,0,0|2,0,0]=4 31269 B13R1.153 CCCCC(C)OCC1CCCO1 34a_100000210270_200011215066 [0,1,0,1,0,0|1,0,0]=3 31270 B13R1.153 CCCCC(C)OCC1CCCO1 7a_100000210270_200011215066 [0,1,0,1,0,0|1,0,0]=3 31271 B13R1.153 CCCCC(C)OCC1CCCO1 7a_100000687866_100000203698 [0,1,0,1,0,0|1,0,0]=3 31272 B13R1.153 CCCCC(C)OCC1COCO1 34a_100011216627_200011215066 [0,1,0,1,0,0|2,0,0]=4 31273 B13R1.153 CCCCC(C)OCC1OCCO1 34a_100000087154_200011215066 [0,1,0,1,0,0|2,0,0]=4 31274 B13R1.153 CCCCC(C)OCC1OCCO1 34a_100000687866_100000755774 [0,1,0,1,0,0|2,0,0]=4 31275 B13R1.153 CCCCC(C)OCC1OCCO1 7a_100000687866_100000755774 [0,1,0,1,0,0|2,0,0]=4 31276 B13R1.153 CCCCC(C)OC[C@H]1CCCN1 34a_100000745186_200011215066 [0,1,0,1,0,0|2,0,0]=4 31277 B13R1.153 CCCCC(C)SCC1CCCC1 62a_100000740388_200011215066 [0,1,0,1,0,0|2,0,0]=4 31278 B13R1.153 CCCCC(C)SCC1CCCC1 62a_200011215066_100000740388 [0,1,0,1,0,0|2,0,0]=4 31279 B13R1.153 CCCCC(C)SCC1CCCO1 62a_100000203698_200011215066 [0,1,0,1,0,0|1,0,0]=3 31280 B13R1.153 CCCCC(C)SCC1CCCO1 62a_200011215066_100000203698 [0,1,0,1,0,0|1,0,0]=3 31281 B13R1.153 CCCCC(C)SCC1OCCO1 62a_100000755774_200011215066 [0,1,0,1,0,0|2,0,0]=4 31282 B13R1.153 CCCCC(C)SCC1OCCO1 62a_200011215066_100000755774 [0,1,0,1,0,0|2,0,0]=4 31283 B13R1.153 CCCCN(C)CCC1CCCC1 2230a_100000207549_100000760354 [0,1,0,1,0,0|2,0,0]=4 31284 B13R1.153 CCCCN(C)CCC1CCCC1 269982a_100000207549_100000760354 [0,1,0,1,0,0|2,0,0]=4 31285 B13R1.153 CCCCN(C)CCC1OCCO1 2230a_100000207549_100000740749 [0,1,0,1,0,0|2,0,0]=4 31286 B13R1.153 CCCCN(C)CCC1OCCO1 269982a_100000207549_100000740749 [0,1,0,1,0,0|2,0,0]=4 31287 B13R1.153 CCCC[C@H](N)COC1CCCC1 34a_100011934283_100000179811 [0,1,0,1,0,0|2,0,0]=4 31288 B13R1.153 CCCNC(=O)CCC1CCCO1 11a_100020643023_100011247709 [0,1,0,1,0,0|1,0,1]=4 31289 B13R1.153 CCCNC(=O)CCC1CCCO1 1626a_100020643023_100011247709 [0,1,0,1,0,0|1,0,1]=4 31290 B13R1.153 CCCNC(=O)CCC1CCCO1 240690a_100020643023_100011247709 [0,1,0,1,0,0|1,0,1]=4 31291 B13R1.153 CCCNC(=O)CCC1CCCO1 527a_100020643023_100011247709 [0,1,0,1,0,0|1,0,1]=4 31292 B13R1.153 CCOCC(C)OCC1CCCO1 7a_100000718985_100000203698 [0,1,0,1,0,0|2,0,0]=4 31293 B13R1.153 CCSCC(C)NC[C@@H]1CCCO1 270004a_100020590478_200011216171 [0,1,0,1,0,0|2,0,0]=4 31294 B13R1.153 CN(CCCO)CCC1CCCC1 2230a_100000213112_100000760354 [0,1,0,1,0,0|1,0,0]=3 31295 B13R1.153 CN(CCCO)CCC1CCCC1 269982a_100000213112_100000760354 [0,1,0,1,0,0|1,0,0]=3 31296 B13R1.153 CN(CCCO)CCN1CCCC1 2230a_100000225677_100000230001 [0,1,0,1,0,0|2,0,0]=4 31297 B13R1.153 CN(CCCO)CCN1CCCC1 269982a_100000213112_100000004467 [0,1,0,1,0,0|2,0,0]=4 31298 B13R1.153 CN(CCCO)CCN1CCCC1 269982a_100000225677_100011215043 [0,1,0,1,0,0|2,0,0]=4 31299 B13R1.153 COCCC(=O)CCC1CCCO1 1458a_100011247709_100000233755 [0,1,0,1,0,0|1,0,1]=4 31300 B13R1.153 COCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000742357 [0,1,0,1,0,0|2,0,0]=4 31301 B13R1.153 CSCCC(=O)CCC1CCCO1 1458a_100011247709_100000751147 [0,1,0,1,0,0|1,0,1]=4 31302 B13R1.153 CSCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100011217047 [0,1,0,1,0,0|2,0,0]=4 31303 B13R1.153 C[C@H](CCCO)CNC1CCCC1 2230a_100160569302_100000179811 [0,1,0,1,0,0|1,0,0]=3 31304 B13R1.153 C[C@H](CCCO)CNC1CCCC1 270004a_100160569302_100000210133 [0,1,0,1,0,0|1,0,0]=3 31305 B13R1.153 C[C@H](CCCO)CNC1CCCC1 34a_100160569302_100000179811 [0,1,0,1,0,0|1,0,0]=3 31306 B13R1.153 C[C@H](CCCO)CNC1CCOC1 2230a_100160569302_100000731011 [0,1,0,1,0,0|2,0,0]=4 31307 B13R1.153 C[C@H](CCCO)CNC1CCOC1 270004a_100160569302_100000752484 [0,1,0,1,0,0|2,0,0]=4 31308 B13R1.153 C[C@H](CCCO)CNC1CCOC1 34a_100160569302_100000690089 [0,1,0,1,0,0|2,0,0]=4 31309 B13R1.153 C[C@H](CCCO)CNC1CCSC1 270004a_100160569302_100000212027 [0,1,0,1,0,0|2,0,0]=4 31310 B13R1.153 O=C(CCC1CCCC1)NCCO 240690a_100000210304_100000211120 [0,1,0,1,0,0|1,0,1]=4 31311 B13R1.153 O=C(CCC1CCCC1)NCCO 527a_100000210304_100000211120 [0,1,0,1,0,0|1,0,1]=4 31312 B13R1.153 O=C(CCCF)CCC1CCCC1 1458a_100000211120_100011934791 [0,1,0,1,0,0|1,0,1]=4 31313 B13R1.153 O=C(CCCF)CCC1CCCO1 1458a_100011247709_100011934791 [0,1,0,1,0,0|1,0,1]=4 31314 B13R1.153 O=C(CCCO)CCC1CCCC1 1458a_100000211120_100011215043 [0,1,0,1,0,0|0,0,1]=3 31315 B13R1.153 O=C(CCCO)CCC1CCCO1 1458a_100011247709_100011215043 [0,1,0,1,0,0|1,0,1]=4 31316 B13R1.153 O=C(CCCO)CCN1CCCC1 1458a_100000738983_100011215043 [0,1,0,1,0,0|1,0,1]=4 31317 B13R1.153 O=C(CCCO)COC1CCCC1 1458a_100000741352_100011215043 [0,1,0,1,0,0|1,0,1]=4 31318 B13R1.656 CC1CCC(C(C1)NCCCF)C 269862a_100015189416_100000034887 [0,1,0,1,0,0|2,0,0]=4 31319 B13R1.656 CC1CCC(C(C1)NCCCF)C 270004a_100015189416_100000034887 [0,1,0,1,0,0|2,0,0]=4 31320 B13R1.656 CC1CCC(C(C1)NCCCO)C 269862a_100000182051_100000034887 [0,1,0,1,0,0|1,0,0]=3 31321 B13R1.656 CC1CCC(C(C1)NCCCO)C 270004a_100000182051_100000034887 [0,1,0,1,0,0|1,0,0]=3 31322 B13R1.656 CC1CCC(C(C1)OCCCF)C 34a_100011217446_100011934791 [0,1,0,1,0,0|2,0,0]=4 31323 B13R1.656 CC1CCC(C(C1)OCCCF)C 7a_100011217446_100011934791 [0,1,0,1,0,0|2,0,0]=4 31324 B13R1.656 CC1CCC(C(C1)OCCCO)C 34a_100011217446_100000230001 [0,1,0,1,0,0|1,0,0]=3 31325 B13R1.656 CC1CCC(C(C1)OCCCO)C 7a_100011217446_100011215043 [0,1,0,1,0,0|1,0,0]=3 31326 B13R1.656 CCCCNC1CC(CCC1C)C 269862a_100000102301_100000034887 [0,1,0,1,0,0|2,0,0]=4 31327 B13R1.656 CCCCNC1CC(CCC1C)C 270004a_100000102301_100000034887 [0,1,0,1,0,0|2,0,0]=4 31328 B13R1.656 CCCCOC1CC(CCC1C)C 34a_100011217446_100000210210 [0,1,0,1,0,0|2,0,0]=4 31329 B13R1.656 CCCCOC1CC(CCC1C)C 7a_100011217446_100000210211 [0,1,0,1,0,0|2,0,0]=4 31330 B13R1.656 C[C@@H]1CN([C@@H](CO1)C)CCCCO 2230a_100016991869_100000210776 [0,1,0,1,0,0|2,0,0]=4 31331 B13R1.656 C[C@@H]1CN([C@@H](CO1)C)CCCCO 269982a_100016991869_100000210776 [0,1,0,1,0,0|2,0,0]=4 31332 B13R1.656 C[C@@H]1CN([C@@H](CO1)C)CCCCO 34a_100016991869_100011216708 [0,1,0,1,0,0|2,0,0]=4 31333 B13R1.660 CCCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210326 [0,1,0,1,0,0|1,0,0]=3 31334 B13R1.660 CCCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210215 [0,1,0,1,0,0|1,0,0]=3 31335 B13R1.660 CCCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210326 [0,1,0,1,0,0|1,0,0]=3 31336 B13R1.660 CCCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210215 [0,1,0,1,0,0|1,0,0]=3 31337 B13R1.660 CCCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000718602 [0,1,0,1,0,0|1,0,0]=3 31338 B13R1.660 CCOCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100011215890 [0,1,0,1,0,0|2,0,0]=4 31339 B13R1.660 CCOCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100011215890 [0,1,0,1,0,0|2,0,0]=4 31340 B13R1.660 CCOCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100011215890 [0,1,0,1,0,0|2,0,0]=4 31341 B13R1.660 CCOCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100011215890 [0,1,0,1,0,0|2,0,0]=4 31342 B13R1.660 CCOCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210147 [0,1,0,1,0,0|2,0,0]=4 31343 B13R1.660 CCSCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000757381 [0,1,0,1,0,0|2,0,0]=4 31344 B13R1.660 CCSCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000757381 [0,1,0,1,0,0|2,0,0]=4 31345 B13R1.660 CCSCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000757381 [0,1,0,1,0,0|2,0,0]=4 31346 B13R1.660 CCSCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000757381 [0,1,0,1,0,0|2,0,0]=4 31347 B13R1.660 CCSCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000757381 [0,1,0,1,0,0|2,0,0]=4 31348 B13R1.660 COCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000740836 [0,1,0,1,0,0|2,0,0]=4 31349 B13R1.660 COCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000740836 [0,1,0,1,0,0|2,0,0]=4 31350 B13R1.660 COCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000740836 [0,1,0,1,0,0|2,0,0]=4 31351 B13R1.660 COCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000740836 [0,1,0,1,0,0|2,0,0]=4 31352 B13R1.660 COCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000740836 [0,1,0,1,0,0|2,0,0]=4 31353 B13R1.660 OCCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210776 [0,1,0,1,0,0|2,0,0]=4 31354 B13R1.660 OCCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210776 [0,1,0,1,0,0|2,0,0]=4 31355 B13R1.660 OCCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210776 [0,1,0,1,0,0|2,0,0]=4 31356 B13R1.660 OCCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210776 [0,1,0,1,0,0|2,0,0]=4 31357 B13R1.660 OCCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100011216708 [0,1,0,1,0,0|2,0,0]=4 31358 B13R1.660 OC[C@@H]1C[C@@H](CN1CCCCF)F 2230a_100015204000_100000729493 [0,1,0,1,0,0|2,0,0]=4 31359 B13R1.660 OC[C@@H]1C[C@@H](CN1CCCCF)F 269982a_100015204000_100000729493 [0,1,0,1,0,0|2,0,0]=4 31360 B13R1.660 OC[C@@H]1C[C@@H](CN1CCCCF)F 34a_100015204000_100000729493 [0,1,0,1,0,0|2,0,0]=4 31361 B13R1.660 OC[C@@H]1C[C@H](CN1CCCCF)O 2230a_100000707816_100000729493 [0,1,0,1,0,0|2,0,0]=4 31362 B13R1.660 OC[C@@H]1C[C@H](CN1CCCCF)O 269982a_100000707816_100000729493 [0,1,0,1,0,0|2,0,0]=4 31363 B13R1.674 CC1CCCCC1C(=O)CCCF 1458a_100011215568_100011934791 [0,1,0,1,0,0|1,0,1]=4 31364 B13R1.674 CC1CCCCC1C(=O)CCCO 1458a_100011215568_100011215043 [0,1,0,1,0,0|0,0,1]=3 31365 B13R1.674 CC1CCCCC1C(=O)NCCO 240690a_100000210304_100011215568 [0,1,0,1,0,0|1,0,1]=4 31366 B13R1.674 CC1CCCCC1C(=O)NCCO 527a_100000210304_100011215568 [0,1,0,1,0,0|1,0,1]=4 31367 B13R1.674 CC1CCCCC1N(C)CCCO 270004a_100000213112_100000210921 [0,1,0,1,0,0|1,0,0]=3 31368 B13R1.674 CC1CNCCC1N(C)CCCO 270004a_100000213112_100000703950 [0,1,0,1,0,0|2,0,0]=4 31369 B13R1.674 CC1COCCC1N(C)CCCO 270004a_100000213112_100000755695 [0,1,0,1,0,0|2,0,0]=4 31370 B13R1.674 CCCCC(=O)C1CCCCC1C 1458a_100011215568_100000210211 [0,1,0,1,0,0|1,0,1]=4 31371 B13R1.674 CCCCC(=O)C1CCCCC1O 1458a_100011803323_100000210211 [0,1,0,1,0,0|0,0,1]=3 31372 B13R1.674 CCCCC(C)N1CCCCC1C 2230a_100000211376_200011215066 [0,1,0,1,0,0|2,0,0]=4 31373 B13R1.674 CCCCC(C)N1CCCCC1C 269982a_100000211376_200011215066 [0,1,0,1,0,0|2,0,0]=4 31374 B13R1.674 CCCCC(C)N1CCCCC1C 270004a_100000211376_100000210087 [0,1,0,1,0,0|2,0,0]=4 31375 B13R1.674 CCCCC(C)N1CCCCC1C 34a_100000211376_200011215066 [0,1,0,1,0,0|2,0,0]=4 31376 B13R1.674 CCCCN(C)C1CCCCC1C 2230a_200000200707_200000210301 [0,1,0,1,0,0|2,0,0]=4 31377 B13R1.674 CCCCN(C)C1CCCCC1C 269982a_200000200707_200000210301 [0,1,0,1,0,0|2,0,0]=4 31378 B13R1.674 CCCCN(C)C1CCCCC1C 270004a_100000207549_100000210921 [0,1,0,1,0,0|2,0,0]=4 31379 B13R1.674 CCCCN(C)C1CCCCC1C 34a_200000200707_200000210301 [0,1,0,1,0,0|2,0,0]=4 31380 B13R1.674 CCCCN(C)C1CCCCC1F 269982a_100000207549_100015423560 [0,1,0,1,0,0|2,0,0]=4 31381 B13R1.674 CCCCN(C)C1CCCCC1O 269982a_100000207549_100000038908 [0,1,0,1,0,0|1,0,0]=3 31382 B13R1.674 CCCCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000210211 [0,1,0,1,0,0|1,0,0]=3 31383 B13R1.674 CCCCN([13CH3])C1CCCCC1C 2230a_200000200707_200025704644 [0,1,0,1,0,0|2,0,0]=4 31384 B13R1.674 CCCCN([13CH3])C1CCCCC1C 269982a_200000200707_200025704644 [0,1,0,1,0,0|2,0,0]=4 31385 B13R1.674 CCCCN([13CH3])C1CCCCC1C 34a_200000200707_200025704644 [0,1,0,1,0,0|2,0,0]=4 31386 B13R1.674 CCOCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000739092 [0,1,0,1,0,0|2,0,0]=4 31387 B13R1.674 CN(CCCF)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100011934791 [0,1,0,1,0,0|2,0,0]=4 31388 B13R1.674 CN(CCCO)C1CCCCC1F 269982a_100000213112_100015423560 [0,1,0,1,0,0|2,0,0]=4 31389 B13R1.674 CN(CCCO)C1CCCCC1O 269982a_100000213112_100000038908 [0,1,0,1,0,0|2,0,0]=4 31390 B13R1.674 CN(CCCO)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100011215043 [0,1,0,1,0,0|2,0,0]=4 31391 B13R1.674 CN1CCCC[C@@H]1C(=O)CCCO 1458a_100000767060_100011215043 [0,1,0,1,0,0|1,0,1]=4 31392 B13R1.674 COCCC(=O)C1CCCCC1O 1458a_100011803323_100000233755 [0,1,0,1,0,0|1,0,1]=4 31393 B13R1.674 COCCN(C)C1CCCCC1O 269982a_100000743101_100000038908 [0,1,0,1,0,0|2,0,0]=4 31394 B13R1.674 COCCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000233755 [0,1,0,1,0,0|2,0,0]=4 31395 B13R1.674 CSCCC(=O)C1CCCCC1O 1458a_100011803323_100000751147 [0,1,0,1,0,0|1,0,1]=4 31396 B13R1.674 CSCCN(C)C1CCCCC1O 269982a_100000686725_100000038908 [0,1,0,1,0,0|2,0,0]=4 31397 B13R1.674 CSCCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000212216 [0,1,0,1,0,0|2,0,0]=4 31398 B13R1.674 O=C(CCCF)C1CCCCC1O 1458a_100011803323_100011934791 [0,1,0,1,0,0|1,0,1]=4 31399 B13R1.674 O=C(CCCO)C1CCCCC1O 1458a_100011803323_100011215043 [0,1,0,1,0,0|1,0,1]=4 31400 B13R1.676 CC(CCCCl)OCCCC1CO1 34a_200000718107_100000733510 [0,1,0,1,0,0|2,0,0]=4 31401 B13R1.676 CC(CCCCl)OCCCC1CO1 7a_200000718107_100000733510 [0,1,0,1,0,0|2,0,0]=4 31402 B13R1.676 CCCCC(C)COCCC1CC1 34a_100011995851_100000694398 [0,1,0,1,0,0|2,0,0]=4 31403 B13R1.676 CCCCC(C)COCCC1CC1 7a_100011995851_100000764125 [0,1,0,1,0,0|2,0,0]=4 31404 B13R1.676 CCCCC(C)COCCC1CO1 34a_100011995851_100000732470 [0,1,0,1,0,0|1,0,0]=3 31405 B13R1.676 CCCCC(C)COCCC1CO1 7a_100011995851_100000732470 [0,1,0,1,0,0|1,0,0]=3 31406 B13R1.676 CCCCC(C)NCCCC1CO1 2230a_100000126638_100000733510 [0,1,0,1,0,0|1,0,0]=3 31407 B13R1.676 CCCCC(C)OCCCC1CO1 34a_100000687866_100000733510 [0,1,0,1,0,0|1,0,0]=3 31408 B13R1.676 CCCCC(C)OCCCC1CO1 7a_100000687866_100000733510 [0,1,0,1,0,0|1,0,0]=3 31409 B13R1.676 CCCCC(C)SCCCC1CO1 62a_100000733510_200011215066 [0,1,0,1,0,0|1,0,0]=3 31410 B13R1.676 CCCCC(C)SCCCC1CO1 62a_200011215066_100000733510 [0,1,0,1,0,0|1,0,0]=3 31411 B13R1.676 CCCC[C@H](N)COCCC1CC1 34a_100011934283_100000694398 [0,1,0,1,0,0|2,0,0]=4 31412 B13R1.676 CCCC[C@H](N)COCCC1CO1 34a_100011934283_100000732470 [0,1,0,1,0,0|1,0,0]=3 31413 B13R1.676 CCCOC(C)CNCCC1CO1 2230a_100015185124_100000732470 [0,1,0,1,0,0|2,0,0]=4 31414 B13R1.676 CCCOC(C)CNCCC1CO1 34a_100015185124_100000732470 [0,1,0,1,0,0|2,0,0]=4 31415 B13R1.676 CCOCC(C)OCCCC1CO1 34a_100000718985_100000733510 [0,1,0,1,0,0|2,0,0]=4 31416 B13R1.676 CCOCC(C)OCCCC1CO1 7a_100000718985_100000733510 [0,1,0,1,0,0|2,0,0]=4 31417 B13R1.676 CCOCC(O)CNCCC1CO1 2230a_102515437182_100000732470 [0,1,0,1,0,0|2,0,0]=4 31418 B13R1.676 CCOCC(O)CNCCC1CO1 34a_102515437182_100000732470 [0,1,0,1,0,0|2,0,0]=4 31419 B13R1.676 CSCC[C@H](N)COCCC1CO1 34a_100011827619_100000732470 [0,1,0,1,0,0|2,0,0]=4 31420 B13R1.676 C[C@H](CCCO)CNCCC1CC1 2230a_100160569302_100000694398 [0,1,0,1,0,0|1,0,0]=3 31421 B13R1.676 C[C@H](CCCO)CNCCC1CC1 34a_100160569302_100000694398 [0,1,0,1,0,0|1,0,0]=3 31422 B13R1.676 C[C@H](CCCO)CNCCC1CO1 2230a_100160569302_100000732470 [0,1,0,1,0,0|2,0,0]=4 31423 B13R1.676 C[C@H](CCCO)CNCCC1CO1 34a_100160569302_100000732470 [0,1,0,1,0,0|2,0,0]=4 31424 B13R1.683 CCCCC(C)COCC1CCC1 34a_100011995851_100000763275 [0,1,0,1,0,0|2,0,0]=4 31425 B13R1.683 CCCCC(C)COCC1CCC1 7a_100011995851_100000763275 [0,1,0,1,0,0|2,0,0]=4 31426 B13R1.683 CCCCC(C)COCC1CCO1 34a_100011995851_100000103362 [0,1,0,1,0,0|1,0,0]=3 31427 B13R1.683 CCCCC(C)COCC1CCO1 7a_100011995851_100000103362 [0,1,0,1,0,0|1,0,0]=3 31428 B13R1.683 CCCC[C@H](N)COCC1CCC1 34a_100011934283_100000763275 [0,1,0,1,0,0|2,0,0]=4 31429 B13R1.683 CCCC[C@H](N)COCC1CCO1 34a_100011934283_100000103362 [0,1,0,1,0,0|1,0,0]=3 31430 B13R1.683 CCCOC(C)CNCC1CCO1 2230a_100015185124_100000103362 [0,1,0,1,0,0|2,0,0]=4 31431 B13R1.683 CCCOC(C)CNCC1CCO1 34a_100015185124_100000103362 [0,1,0,1,0,0|2,0,0]=4 31432 B13R1.683 CCOCC(O)CNCC1CCO1 2230a_102515437182_100000103362 [0,1,0,1,0,0|2,0,0]=4 31433 B13R1.683 CCOCC(O)CNCC1CCO1 34a_102515437182_100000103362 [0,1,0,1,0,0|2,0,0]=4 31434 B13R1.683 CSCC[C@H](N)COCC1CCO1 34a_100011827619_100000103362 [0,1,0,1,0,0|2,0,0]=4 31435 B13R1.683 C[C@H](CCCO)CNCC1CCC1 2230a_100160569302_100000763275 [0,1,0,1,0,0|1,0,0]=3 31436 B13R1.683 C[C@H](CCCO)CNCC1CCC1 269862a_100160569302_100000753134 [0,1,0,1,0,0|1,0,0]=3 31437 B13R1.683 C[C@H](CCCO)CNCC1CCC1 34a_100160569302_100000763275 [0,1,0,1,0,0|1,0,0]=3 31438 B13R1.683 C[C@H](CCCO)CNCC1CCO1 2230a_100160569302_100000103362 [0,1,0,1,0,0|2,0,0]=4 31439 B13R1.683 C[C@H](CCCO)CNCC1CCO1 34a_100160569302_100000103362 [0,1,0,1,0,0|2,0,0]=4 31440 B13R1.683 C[C@H](CCCO)CNCC1COC1 2230a_100160569302_100010264016 [0,1,0,1,0,0|2,0,0]=4 31441 B13R1.683 C[C@H](CCCO)CNCC1COC1 34a_100160569302_100010264016 [0,1,0,1,0,0|2,0,0]=4 31442 B13R1.684 CCC1CCCC1N(C)CCCO 270004a_100000213112_100000749056 [0,1,0,1,0,0|1,0,0]=3 31443 B13R1.684 CCCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210183 [0,1,0,1,0,0|1,0,1]=4 31444 B13R1.684 CCCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210183 [0,1,0,1,0,0|1,0,1]=4 31445 B13R1.684 CCCCC(C)N1CCCC1CC 2230a_100000754278_200011215066 [0,1,0,1,0,0|2,0,0]=4 31446 B13R1.684 CCCCC(C)N1CCCC1CC 269982a_100000754278_200011215066 [0,1,0,1,0,0|2,0,0]=4 31447 B13R1.684 CCCCC(C)N1CCCC1CC 270004a_100000754278_100000210087 [0,1,0,1,0,0|2,0,0]=4 31448 B13R1.684 CCCCC(C)N1CCCC1CC 34a_100000754278_200011215066 [0,1,0,1,0,0|2,0,0]=4 31449 B13R1.684 CCCCC(C)N1CCC[C@@H]1CO 2230a_100000745186_200011215066 [0,1,0,1,0,0|1,0,0]=3 31450 B13R1.684 CCCCC(C)N1CCC[C@@H]1CO 269982a_100000745186_200011215066 [0,1,0,1,0,0|1,0,0]=3 31451 B13R1.684 CCCCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100000210087 [0,1,0,1,0,0|1,0,0]=3 31452 B13R1.684 CCCCC(C)N1CCC[C@@H]1CO 34a_100000745186_200011215066 [0,1,0,1,0,0|1,0,0]=3 31453 B13R1.684 CCCCN(C)C1CCCC1CC 270004a_100000207549_100000749056 [0,1,0,1,0,0|2,0,0]=4 31454 B13R1.684 CCN1CCCC1C(=O)CCCO 1458a_106256033941_100011215043 [0,1,0,1,0,0|1,0,1]=4 31455 B13R1.684 CCSCC(C)N1CCC[C@@H]1CO 270004a_100000745186_200011216171 [0,1,0,1,0,0|2,0,0]=4 31456 B13R1.684 COCCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100000742357 [0,1,0,1,0,0|2,0,0]=4 31457 B13R1.684 CSCCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100011217047 [0,1,0,1,0,0|2,0,0]=4 31458 B13R1.686 CCCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210183 [0,1,0,1,0,0|1,0,1]=4 31459 B13R1.686 CCCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210183 [0,1,0,1,0,0|1,0,1]=4 31460 B13R1.686 CCCCC(C)NC1CCCC1C 269862a_100000126638_100000752053 [0,1,0,1,0,0|2,0,0]=4 31461 B13R1.686 CCCCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100000210087 [0,1,0,1,0,0|1,0,0]=3 31462 B13R1.686 CCCCC(C)N[C@H]1COC[C@@H]1O 2230a_100015191717_200011215066 [0,1,0,1,0,0|2,0,0]=4 31463 B13R1.686 CCCCC(C)N[C@H]1COC[C@@H]1O 270004a_100015191717_100000210087 [0,1,0,1,0,0|2,0,0]=4 31464 B13R1.686 CCCCC(C)OC1CCCC1C 34a_100011216460_200011215066 [0,1,0,1,0,0|2,0,0]=4 31465 B13R1.686 CCCCC(C)OC1CCCC1C 7a_100011216460_200011215066 [0,1,0,1,0,0|2,0,0]=4 31466 B13R1.686 CCCCC(C)OC1COCC1O 34a_100000687866_200000725654 [0,1,0,1,0,0|2,0,0]=4 31467 B13R1.686 CCCCC(C)OC1COCC1O 7a_100000687866_200000725654 [0,1,0,1,0,0|2,0,0]=4 31468 B13R1.686 CCCCC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200011215066 [0,1,0,1,0,0|2,0,0]=4 31469 B13R1.686 CCCCC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_200011215066 [0,1,0,1,0,0|2,0,0]=4 31470 B13R1.686 CCCCC(C)SC1COCC1O 62a_200000725654_200011215066 [0,1,0,1,0,0|2,0,0]=4 31471 B13R1.686 CCCCC(C)SC1COCC1O 62a_200011215066_200000725654 [0,1,0,1,0,0|2,0,0]=4 31472 B13R1.686 CCCCC(C)S[C@@H]1CCC[C@H]1O 62a_200011215066_200016002552 [0,1,0,1,0,0|1,0,0]=3 31473 B13R1.686 CCCCC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_200011215066 [0,1,0,1,0,0|1,0,0]=3 31474 B13R1.686 CCSCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_200011216171 [0,1,0,1,0,0|2,0,0]=4 31475 B13R1.686 COCCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100000742357 [0,1,0,1,0,0|2,0,0]=4 31476 B13R1.686 CSCCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100011217047 [0,1,0,1,0,0|2,0,0]=4 31477 B13R1.1133 CC1CCC(N1CCCCCF)C 2230a_100000687148_100000729378 [0,1,0,1,0,0|2,0,0]=4 31478 B13R1.1133 CC1CCC(N1CCCCCF)C 269982a_100000687148_100000729378 [0,1,0,1,0,0|2,0,0]=4 31479 B13R1.1133 CC1CCC(N1CCCCCF)C 34a_100000687148_100000729378 [0,1,0,1,0,0|2,0,0]=4 31480 B13R1.1133 CC1CCC(N1CCCCCO)C 2230a_100000687148_100000746330 [0,1,0,1,0,0|1,0,0]=3 31481 B13R1.1133 CC1CCC(N1CCCCCO)C 269982a_100000687148_100000746330 [0,1,0,1,0,0|1,0,0]=3 31482 B13R1.1133 CC1CCC(N1CCCCCO)C 34a_100000687148_100000746330 [0,1,0,1,0,0|1,0,0]=3 31483 B13R1.1133 CC1CCC(N1CCOCCO)C 2230a_100000687148_100011215305 [0,1,0,1,0,0|2,0,0]=4 31484 B13R1.1133 CC1CCC(N1CCOCCO)C 269982a_100000687148_100011215305 [0,1,0,1,0,0|2,0,0]=4 31485 B13R1.1133 CC1CCC(N1CCOCCO)C 34a_100000687148_100000692535 [0,1,0,1,0,0|2,0,0]=4 31486 B13R1.1133 CCCCCCN1C(CCC1C)C 2230a_100000687148_100000210314 [0,1,0,1,0,0|2,0,0]=4 31487 B13R1.1133 CCCCCCN1C(CCC1C)C 269982a_100000687148_100000210757 [0,1,0,1,0,0|2,0,0]=4 31488 B13R1.1133 CCCCCCN1C(CCC1C)C 34a_100000687148_100000210314 [0,1,0,1,0,0|2,0,0]=4 31489 B13R1.1919 CCCCN1CCOCC(C1)CO 2230a_100103147999_100000210211 [0,1,0,1,0,0|2,0,0]=4 31490 B13R1.1919 CCCCN1CCOCC(C1)CO 269982a_100103147999_100000210211 [0,1,0,1,0,0|2,0,0]=4 31491 B13R1.1919 CCCCN1CCOCC(C1)CO 34a_100103147999_100000210210 [0,1,0,1,0,0|2,0,0]=4 31492 B13R1.2436 CC1(CCCC1)OCCCCCF 34a_100000751722_100000729378 [0,1,0,1,0,0|2,0,0]=4 31493 B13R1.2436 CC1(CCCC1)OCCCCCF 7a_100000751722_100000729378 [0,1,0,1,0,0|2,0,0]=4 31494 B13R1.2436 CC1(CCCC1)OCCCCCO 34a_100000751722_100000746330 [0,1,0,1,0,0|1,0,0]=3 31495 B13R1.2436 CC1(CCCC1)OCCCCCO 7a_100000751722_100000746330 [0,1,0,1,0,0|1,0,0]=3 31496 B13R1.2436 CC1(CCCC1)OCCOCCO 34a_100000751722_100000692535 [0,1,0,1,0,0|2,0,0]=4 31497 B13R1.2436 CC1(CCCC1)OCCOCCO 7a_100000751722_100011215305 [0,1,0,1,0,0|2,0,0]=4 31498 B13R1.2436 CC1(CCOC1)NCCCCCO 2230a_100000693475_100000746330 [0,1,0,1,0,0|2,0,0]=4 31499 B13R1.2436 CCCCCCOC1(CCCC1)C 34a_100000751722_100000210314 [0,1,0,1,0,0|2,0,0]=4 31500 B13R1.2436 CCCCCCOC1(CCCC1)C 7a_100000751722_100000210314 [0,1,0,1,0,0|2,0,0]=4 31501 B13R1.2436 CCCCCNCC1(CCCC1)O 2230a_100000737848_100000210326 [0,1,0,1,0,0|2,0,0]=4 31502 B13R1.2436 CCCCCNCC1(OCCO1)C 2230a_100000691740_100000210326 [0,1,0,1,0,0|2,0,0]=4 31503 B13R1.2436 CCCCCOCC1(CCCC1)N 34a_100000749328_100000718602 [0,1,0,1,0,0|2,0,0]=4 31504 B13R1.2436 CCCCCOC[C@@]1(CCCN1)C 34a_100016195882_100000718602 [0,1,0,1,0,0|2,0,0]=4 31505 B13R1.2436 CCCCCSCC1(OCCO1)C 62a_100000210326_100009818610 [0,1,0,1,0,0|2,0,0]=4 31506 B13R1.2436 CCCCCSCC1(OCCO1)C 62a_100009818610_100000210326 [0,1,0,1,0,0|2,0,0]=4 31507 B13R1.2436 CCCCNCCC1(CCCC1)O 34a_100000719956_100000210210 [0,1,0,1,0,0|2,0,0]=4 31508 B13R1.2436 CCCCNCCC1(OCCO1)C 2230a_100000073055_100000210211 [0,1,0,1,0,0|2,0,0]=4 31509 B13R1.2436 CCCCNCCC1(OCCO1)C 2230a_100000102301_100000758764 [0,1,0,1,0,0|2,0,0]=4 31510 B13R1.2436 CCCCNCCC1(OCCO1)C 7a_106832991798_100000758764 [0,1,0,1,0,0|2,0,0]=4 31511 B13R1.2436 CCCCOCCC1(OCCO1)C 34a_100000210227_100000758764 [0,1,0,1,0,0|2,0,0]=4 31512 B13R1.2436 CCCCOCCC1(OCCO1)C 7a_100000210227_100000758764 [0,1,0,1,0,0|2,0,0]=4 31513 B13R1.2436 CCCCOCCC1(OCCO1)C 7a_100009861814_100000210211 [0,1,0,1,0,0|2,0,0]=4 31514 B13R1.2436 CCCCSCCC1(OCCO1)C 62a_100000210211_100000758764 [0,1,0,1,0,0|2,0,0]=4 31515 B13R1.2436 CCCCSCCC1(OCCO1)C 62a_100000758764_100000210210 [0,1,0,1,0,0|2,0,0]=4 31516 B13R1.2436 CCCOCCCC1(OCCO1)C 34a_100000210258_100000037737 [0,1,0,1,0,0|2,0,0]=4 31517 B13R1.2436 CCCSCCCC1(OCCO1)C 62a_100000037737_100000210303 [0,1,0,1,0,0|2,0,0]=4 31518 B13R1.2436 CCCSCCCC1(OCCO1)C 62a_100000210303_100000037737 [0,1,0,1,0,0|2,0,0]=4 31519 B13R1.2436 C[C@]1(CCCN1)COCCCCO 34a_100016195882_100011216708 [0,1,0,1,0,0|2,0,0]=4 31520 B13R1.2436 NC1(CCCC1)COCCCCF 34a_100000749328_100000729493 [0,1,0,1,0,0|2,0,0]=4 31521 B13R1.2436 NC1(CCCC1)COCCCCO 34a_100000749328_100011216708 [0,1,0,1,0,0|1,0,0]=3 31522 B13R1.2436 OC1(CCCC1)CCNCCCF 34a_100000719956_100011934791 [0,1,0,1,0,0|2,0,0]=4 31523 B13R1.2436 OC1(CCCC1)CNCCCCF 2230a_100000737848_100000729493 [0,1,0,1,0,0|2,0,0]=4 31524 B13R1.2436 OCCCCNCC1(CCCC1)O 2230a_100000737848_100000210776 [0,1,0,1,0,0|1,0,0]=3 31525 B13R1.2436 OCCCNCCC1(CCCC1)O 34a_100000719956_100000230001 [0,1,0,1,0,0|1,0,0]=3 31526 B13R1.2439 CCC1CN(C1)CCCCCCF 2230a_100015205115_100015922095 [0,1,0,1,0,0|2,0,0]=4 31527 B13R1.2439 CCC1CN(C1)CCCCCCF 269982a_100015205115_100015922095 [0,1,0,1,0,0|2,0,0]=4 31528 B13R1.2439 CCC1CN(C1)CCCCCCO 2230a_100015205115_100000766143 [0,1,0,1,0,0|1,0,0]=3 31529 B13R1.2439 CCC1CN(C1)CCCCCCO 269982a_100015205115_100000766143 [0,1,0,1,0,0|1,0,0]=3 31530 B13R1.2439 CCCCCCCN1CC(C1)CC 2230a_100015205115_100000210681 [0,1,0,1,0,0|2,0,0]=4 31531 B13R1.2439 CCCCCCCN1CC(C1)CC 269982a_100015205115_100000210681 [0,1,0,1,0,0|2,0,0]=4 31532 B13R1.2439 CCCCCCCN1CC(C1)CF 269982a_100010363649_100000210681 [0,1,0,1,0,0|2,0,0]=4 31533 B13R1.2439 CCCCCCCN1CC(C1)CF 34a_100010363649_100000210614 [0,1,0,1,0,0|2,0,0]=4 31534 B13R1.2439 CCCCCCCN1CC(C1)CO 269982a_100016987283_100000210681 [0,1,0,1,0,0|1,0,0]=3 31535 B13R1.2439 CCCCCCCN1CC(C1)CO 34a_100016987283_100000210614 [0,1,0,1,0,0|1,0,0]=3 31536 B13R1.2439 CCCCCCNC1CC(C1)CO 270004a_100000210581_100000101936 [0,1,0,1,0,0|1,0,0]=3 31537 B13R1.2439 CCCCCCSC1CC(C1)CO 62a_100000210314_100009874164 [0,1,0,1,0,0|1,0,0]=3 31538 B13R1.2439 CCCCCCSC1CC(C1)CO 62a_100009874164_100000210757 [0,1,0,1,0,0|1,0,0]=3 31539 B13R1.2439 CCCCOCCN1CC(C1)CO 269982a_100016987283_100000743108 [0,1,0,1,0,0|2,0,0]=4 31540 B13R1.2439 CCCCOCCN1CC(C1)CO 34a_100016987283_100000743108 [0,1,0,1,0,0|2,0,0]=4 31541 B13R1.2439 CCCCOCSC1CC(C1)CO 62a_100009874164_100011995733 [0,1,0,1,0,0|2,0,0]=4 31542 B13R1.2439 CCCCOCSC1CC(C1)CO 62a_100011995733_100009874164 [0,1,0,1,0,0|2,0,0]=4 31543 B13R1.2439 CCCOCCNC1CC(C1)CO 270004a_100161115042_100000101936 [0,1,0,1,0,0|2,0,0]=4 31544 B13R1.2439 CCCOCCSC1CC(C1)CO 62a_100009874164_100011215938 [0,1,0,1,0,0|2,0,0]=4 31545 B13R1.2439 CCCOCCSC1CC(C1)CO 62a_100011215938_100009874164 [0,1,0,1,0,0|2,0,0]=4 31546 B13R1.2439 CCCSCCNC1CC(C1)CO 270004a_100020603323_100000101936 [0,1,0,1,0,0|2,0,0]=4 31547 B13R1.2439 CCN1CC(C1)NCCCCCO 2230a_200015199589_100000746330 [0,1,0,1,0,0|2,0,0]=4 31548 B13R1.2439 CCOCCCNC1CC(C1)CO 270004a_100000210961_100000101936 [0,1,0,1,0,0|2,0,0]=4 31549 B13R1.2439 CCOCCCSC1CC(C1)CO 62a_100009874164_100012232248 [0,1,0,1,0,0|2,0,0]=4 31550 B13R1.2439 CCOCCCSC1CC(C1)CO 62a_100012232248_100009874164 [0,1,0,1,0,0|2,0,0]=4 31551 B13R1.2439 COC1CN(C1)CCCCCCO 269982a_100000755009_100000766143 [0,1,0,1,0,0|2,0,0]=4 31552 B13R1.2439 COCCCCSC1CC(C1)CO 62a_100000730899_100009874164 [0,1,0,1,0,0|2,0,0]=4 31553 B13R1.2439 COCCCCSC1CC(C1)CO 62a_100009874164_100000730899 [0,1,0,1,0,0|2,0,0]=4 31554 B13R1.2439 CO[C@H]1C[C@@H](C1)NCCCCCO 2230a_100121570643_100000746330 [0,1,0,1,0,0|2,0,0]=4 31555 B13R1.2439 CSC1CN(C1)CCCCCCO 269982a_100016990038_100000766143 [0,1,0,1,0,0|2,0,0]=4 31556 B13R1.2439 OCC1CC(C1)SCCCCCF 62a_100000729378_100009874164 [0,1,0,1,0,0|2,0,0]=4 31557 B13R1.2439 OCC1CC(C1)SCCCCCF 62a_100009874164_100000729378 [0,1,0,1,0,0|2,0,0]=4 31558 B13R1.2439 OCC1CN(C1)CCCCCCF 269982a_100016987283_100015922095 [0,1,0,1,0,0|2,0,0]=4 31559 B13R1.2439 OCC1CN(C1)CCCCCCF 34a_100016987283_100015922095 [0,1,0,1,0,0|2,0,0]=4 31560 B13R1.2439 OCCCCCCN1CC(C1)CF 269982a_100010363649_100000766143 [0,1,0,1,0,0|2,0,0]=4 31561 B13R1.2439 OCCCCCCN1CC(C1)CF 34a_100010363649_100000766143 [0,1,0,1,0,0|2,0,0]=4 31562 B13R1.2439 OCCCCCCN1CC(C1)CO 269982a_100016987283_100000766143 [0,1,0,1,0,0|2,0,0]=4 31563 B13R1.2439 OCCCCCCN1CC(C1)CO 34a_100016987283_100000766143 [0,1,0,1,0,0|2,0,0]=4 31564 B13R1.2439 OCCCCCNC1CC(C1)CO 270004a_100000762737_100000101936 [0,1,0,1,0,0|2,0,0]=4 31565 B13R1.2439 OCCCCCSC1CC(C1)CO 62a_100000746330_100009874164 [0,1,0,1,0,0|2,0,0]=4 31566 B13R1.2439 OCCCCCSC1CC(C1)CO 62a_100009874164_100000746330 [0,1,0,1,0,0|2,0,0]=4 31567 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000210183_100011217769 [0,1,0,1,0,0|1,0,1]=4 31568 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000749507_100000210211 [0,1,0,1,0,0|1,0,1]=4 31569 B13R1.2488 CCCCC(C)N1CCCCCC1 2230a_100000185865_200011215066 [0,1,0,1,0,0|2,0,0]=4 31570 B13R1.2488 CCCCC(C)N1CCCCCC1 269982a_100000185865_200011215066 [0,1,0,1,0,0|2,0,0]=4 31571 B13R1.2488 CCCCC(C)N1CCCCCC1 270004a_100000185865_100000210087 [0,1,0,1,0,0|2,0,0]=4 31572 B13R1.2488 CCCCC(C)N1CCCCCC1 34a_100000185865_200011215066 [0,1,0,1,0,0|2,0,0]=4 31573 B13R1.2488 CCCCN(C)C1CCCCCC1 2230a_100015185097_100000210211 [0,1,0,1,0,0|2,0,0]=4 31574 B13R1.2488 CCCCN(C)C1CCCCCC1 2230a_200015185778_200000210301 [0,1,0,1,0,0|2,0,0]=4 31575 B13R1.2488 CCCCN(C)C1CCCCCC1 269982a_100000207549_100011217769 [0,1,0,1,0,0|2,0,0]=4 31576 B13R1.2488 CCCCN(C)C1CCCCCC1 269982a_100015185097_100000210211 [0,1,0,1,0,0|2,0,0]=4 31577 B13R1.2488 CCCCN(C)C1CCCCCC1 269982a_200015185778_200000210301 [0,1,0,1,0,0|2,0,0]=4 31578 B13R1.2488 CCCCN(C)C1CCCCCC1 270004a_100000207549_100000210131 [0,1,0,1,0,0|2,0,0]=4 31579 B13R1.2488 CCCCN(C)C1CCCCCC1 34a_100015185097_100000210210 [0,1,0,1,0,0|2,0,0]=4 31580 B13R1.2488 CCCCN(C)C1CCCCCC1 34a_200015185778_200000210301 [0,1,0,1,0,0|2,0,0]=4 31581 B13R1.2488 CCCCN([13CH3])C1CCCCCC1 2230a_200015185778_200025704644 [0,1,0,1,0,0|2,0,0]=4 31582 B13R1.2488 CCCCN([13CH3])C1CCCCCC1 269982a_200015185778_200025704644 [0,1,0,1,0,0|2,0,0]=4 31583 B13R1.2488 CCCCN([13CH3])C1CCCCCC1 34a_200015185778_200025704644 [0,1,0,1,0,0|2,0,0]=4 31584 B13R1.2488 CN(CCCF)C1CCCCCC1 2230a_100015185097_100011934791 [0,1,0,1,0,0|2,0,0]=4 31585 B13R1.2488 CN(CCCF)C1CCCCCC1 269982a_100015185097_100011934791 [0,1,0,1,0,0|2,0,0]=4 31586 B13R1.2488 CN(CCCF)C1CCCCCC1 34a_100015185097_100011934791 [0,1,0,1,0,0|2,0,0]=4 31587 B13R1.2488 CN(CCCO)C1CCCCCC1 2230a_100015185097_100000230001 [0,1,0,1,0,0|1,0,0]=3 31588 B13R1.2488 CN(CCCO)C1CCCCCC1 269982a_100000213112_100011217769 [0,1,0,1,0,0|1,0,0]=3 31589 B13R1.2488 CN(CCCO)C1CCCCCC1 269982a_100015185097_100011215043 [0,1,0,1,0,0|1,0,0]=3 31590 B13R1.2488 CN(CCCO)C1CCCCCC1 270004a_100000213112_100000210131 [0,1,0,1,0,0|1,0,0]=3 31591 B13R1.2488 CN(CCCO)C1CCCCCC1 34a_100015185097_100000230001 [0,1,0,1,0,0|1,0,0]=3 31592 B13R1.2488 CN(CCCO)C1CCCNCC1 270004a_100000213112_100015187895 [0,1,0,1,0,0|2,0,0]=4 31593 B13R1.2488 O=C(CCCF)C1CCCCCC1 1458a_100000749507_100011934791 [0,1,0,1,0,0|1,0,1]=4 31594 B13R1.2488 O=C(CCCO)C1CCCCCC1 1458a_100000749507_100011215043 [0,1,0,1,0,0|0,0,1]=3 31595 B13R1.2488 O=C(NCCO)C1CCCCCC1 240690a_100000210304_100000749507 [0,1,0,1,0,0|1,0,1]=4 31596 B13R1.2488 O=C(NCCO)C1CCCCCC1 527a_100000210304_100000749507 [0,1,0,1,0,0|1,0,1]=4 31597 B13R1.3572 CC(NCCCCCF)C1CCC1 2230a_100016994624_100000729378 [0,1,0,1,0,0|2,0,0]=4 31598 B13R1.3572 CC(NCCCCCF)C1CCC1 34a_100016994624_100000729378 [0,1,0,1,0,0|2,0,0]=4 31599 B13R1.3572 CC(NCCCCCO)C1CCC1 2230a_100016994624_100000746330 [0,1,0,1,0,0|1,0,0]=3 31600 B13R1.3572 CC(NCCCCCO)C1CCC1 269862a_100000762737_100000760154 [0,1,0,1,0,0|1,0,0]=3 31601 B13R1.3572 CC(NCCCCCO)C1CCC1 34a_100016994624_100000746330 [0,1,0,1,0,0|1,0,0]=3 31602 B13R1.3572 CC(NCCOCCO)C1CCC1 2230a_100016994624_100011215305 [0,1,0,1,0,0|2,0,0]=4 31603 B13R1.3572 CC(NCCOCCO)C1CCC1 269862a_100000211614_100000760154 [0,1,0,1,0,0|2,0,0]=4 31604 B13R1.3572 CC(NCCOCCO)C1CCC1 34a_100016994624_100000692535 [0,1,0,1,0,0|2,0,0]=4 31605 B13R1.3572 CC(NCCSCCO)C1CCC1 269862a_100011219999_100000760154 [0,1,0,1,0,0|2,0,0]=4 31606 B13R1.3572 CC(OCCCCCF)C1CCC1 34a_100000766398_100000729378 [0,1,0,1,0,0|2,0,0]=4 31607 B13R1.3572 CC(OCCCCCF)C1CCC1 7a_100000766398_100000729378 [0,1,0,1,0,0|2,0,0]=4 31608 B13R1.3572 CC(OCCCCCO)C1CCC1 34a_100000766398_100000746330 [0,1,0,1,0,0|1,0,0]=3 31609 B13R1.3572 CC(OCCCCCO)C1CCC1 7a_100000766398_100000746330 [0,1,0,1,0,0|1,0,0]=3 31610 B13R1.3572 CC(OCCOCCO)C1CCC1 34a_100000766398_100000692535 [0,1,0,1,0,0|2,0,0]=4 31611 B13R1.3572 CC(OCCOCCO)C1CCC1 7a_100000766398_100011215305 [0,1,0,1,0,0|2,0,0]=4 31612 B13R1.3572 CCCCCCCC(=O)C1CCC1 1458a_100000209988_100000210614 [0,1,0,1,0,0|1,0,1]=4 31613 B13R1.3572 CCCCCCCC(=O)C1CCC1 1458a_100000211969_100000749161 [0,1,0,1,0,0|1,0,1]=4 31614 B13R1.3572 CCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210614 [0,1,0,1,0,0|0,0,1]=3 31615 B13R1.3572 CCCCCCCC(C)N1CCC1 269982a_100000754969_200011218727 [0,1,0,1,0,0|2,0,0]=4 31616 B13R1.3572 CCCCCCCN(C)C1CCC1 2230a_100000758072_100000210681 [0,1,0,1,0,0|2,0,0]=4 31617 B13R1.3572 CCCCCCCN(C)C1CCC1 269982a_100000228206_100000749161 [0,1,0,1,0,0|2,0,0]=4 31618 B13R1.3572 CCCCCCCN(C)C1CCC1 269982a_100000758072_100000210681 [0,1,0,1,0,0|2,0,0]=4 31619 B13R1.3572 CCCCCCCN(C)C1CCC1 270004a_100000228206_100000241760 [0,1,0,1,0,0|2,0,0]=4 31620 B13R1.3572 CCCCCCCN(C)C1CCC1 34a_100000758072_100000210614 [0,1,0,1,0,0|2,0,0]=4 31621 B13R1.3572 CCCCCCNC(=O)C1CCO1 11a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 31622 B13R1.3572 CCCCCCNC(=O)C1CCO1 1626a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 31623 B13R1.3572 CCCCCCNC(=O)C1CCO1 240690a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 31624 B13R1.3572 CCCCCCNC(=O)C1CCO1 527a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 31625 B13R1.3572 CCCCCCNC(C)C1CCC1 2230a_100016994624_100000210314 [0,1,0,1,0,0|2,0,0]=4 31626 B13R1.3572 CCCCCCNC(C)C1CCC1 269862a_100000210581_100000760154 [0,1,0,1,0,0|2,0,0]=4 31627 B13R1.3572 CCCCCCNC(C)C1CCC1 34a_100016994624_100000210314 [0,1,0,1,0,0|2,0,0]=4 31628 B13R1.3572 CCCCCCOC(C)C1CCC1 34a_100000766398_100000210314 [0,1,0,1,0,0|2,0,0]=4 31629 B13R1.3572 CCCCCCOC(C)C1CCC1 7a_100000766398_100000210314 [0,1,0,1,0,0|2,0,0]=4 31630 B13R1.3572 CCCCOCCC(=O)C1CCO1 1458a_100000089072_100000743108 [0,1,0,1,0,0|1,0,1]=4 31631 B13R1.3572 CN(CCCCCCF)C1CCC1 2230a_100000758072_100015922095 [0,1,0,1,0,0|2,0,0]=4 31632 B13R1.3572 CN(CCCCCCF)C1CCC1 269982a_100000758072_100015922095 [0,1,0,1,0,0|2,0,0]=4 31633 B13R1.3572 CN(CCCCCCF)C1CCC1 34a_100000758072_100015922095 [0,1,0,1,0,0|2,0,0]=4 31634 B13R1.3572 CN(CCCCCCO)C1CCC1 2230a_100000758072_100000766143 [0,1,0,1,0,0|1,0,0]=3 31635 B13R1.3572 CN(CCCCCCO)C1CCC1 269982a_100000758072_100000766143 [0,1,0,1,0,0|1,0,0]=3 31636 B13R1.3572 CN(CCCCCCO)C1CCC1 34a_100000758072_100000766143 [0,1,0,1,0,0|1,0,0]=3 31637 B13R1.3572 CN(CCCCCCO)C1COC1 2230a_100102693430_100000766143 [0,1,0,1,0,0|2,0,0]=4 31638 B13R1.3572 CN(CCCCCCO)C1COC1 269982a_100102693430_100000766143 [0,1,0,1,0,0|2,0,0]=4 31639 B13R1.3572 N[C@H](COCCCCO)C1COC1 34a_217856628679_100011216708 [0,1,0,1,0,0|2,0,0]=4 31640 B13R1.3572 O=C(CCCCCCF)C1CCC1 1458a_100000209988_100015922095 [0,1,0,1,0,0|1,0,1]=4 31641 B13R1.3572 O=C(CCCCCCF)C1CCO1 1458a_100000089072_100015922095 [0,1,0,1,0,0|1,0,1]=4 31642 B13R1.3572 O=C(CCCCCCO)C1CCC1 1458a_100000209988_100000766143 [0,1,0,1,0,0|0,0,1]=3 31643 B13R1.3572 O=C(CCCCCCO)C1CCC1 1458a_100011996774_100000749161 [0,1,0,1,0,0|0,0,1]=3 31644 B13R1.3572 O=C(CCCCCCO)C1CCO1 1458a_100000089072_100000766143 [0,1,0,1,0,0|1,0,1]=4 31645 B13R1.3572 O=C(CCCCCCO)C1COC1 1458a_100000758290_100000766143 [0,1,0,1,0,0|1,0,1]=4 31646 B13R1.3572 O=C(CCCCCCO)C1COC1 1458a_100011996774_100000687716 [0,1,0,1,0,0|1,0,1]=4 31647 B13R1.3572 O=C(CCCCCCO)N1CCC1 240690a_100000754969_100011996774 [0,1,0,1,0,0|1,0,1]=4 31648 B13R1.3572 O=C(CNCCCCO)C1CCC1 2230a_100000750430_100000686122 [0,1,0,1,0,0|1,0,1]=4 31649 B13R1.3572 O=C(CNCCCCO)C1CCC1 34a_100000750430_100000686122 [0,1,0,1,0,0|1,0,1]=4 31650 B13R1.3572 O=C(CSCCCCO)C1CCC1 62a_100000210776_100000686122 [0,1,0,1,0,0|1,0,1]=4 31651 B13R1.3572 O=C(CSCCCCO)C1CCC1 62a_100000686122_100000210776 [0,1,0,1,0,0|1,0,1]=4 31652 B13R1.3572 O=C(NCCCCCO)C1CCC1 240690a_100000762737_100000209988 [0,1,0,1,0,0|1,0,1]=4 31653 B13R1.3574 CC(CC1CC1)NCCCCCO 270004a_100000762737_200000686933 [0,1,0,1,0,0|1,0,0]=3 31654 B13R1.3574 CC(CC1CC1)NCCOCCO 270004a_100000211614_200000686933 [0,1,0,1,0,0|2,0,0]=4 31655 B13R1.3574 CC(CC1CC1)NCCSCCO 270004a_100011219999_200000686933 [0,1,0,1,0,0|2,0,0]=4 31656 B13R1.3574 CCCCCCCC(=O)CC1CC1 1458a_100000211969_100000742324 [0,1,0,1,0,0|1,0,1]=4 31657 B13R1.3574 CCCCCCCC(=O)CC1CC1 1458a_100000738066_100000210614 [0,1,0,1,0,0|1,0,1]=4 31658 B13R1.3574 CCCCCCCC(=O)CC1CO1 1458a_100000211969_100011216344 [0,1,0,1,0,0|0,0,1]=3 31659 B13R1.3574 CCCCCCCC(=O)CC1CS1 1458a_100000211969_100000031435 [0,1,0,1,0,0|0,1,1]=4 31660 B13R1.3574 CCCCCCCC(=O)C[C@@H]1CO1 1458a_100000211969_100000745022 [0,1,0,1,0,0|0,0,1]=3 31661 B13R1.3574 CCCCCCCC(C)NC1CC1 34a_100000212008_200011218727 [0,1,0,1,0,0|2,0,0]=4 31662 B13R1.3574 CCCCCCCC(C)OC1CC1 34a_200011215852_100000211595 [0,1,0,1,0,0|2,0,0]=4 31663 B13R1.3574 CCCCCCCC(C)SC1CC1 62a_200011218727_100000211595 [0,1,0,1,0,0|2,0,0]=4 31664 B13R1.3574 CCCCCCCN(C)CC1CC1 2230a_100000228206_100000742324 [0,1,0,1,0,0|2,0,0]=4 31665 B13R1.3574 CCCCCCCN(C)CC1CC1 2230a_100000741881_100000210681 [0,1,0,1,0,0|2,0,0]=4 31666 B13R1.3574 CCCCCCCN(C)CC1CC1 269982a_100000228206_100000756562 [0,1,0,1,0,0|2,0,0]=4 31667 B13R1.3574 CCCCCCCN(C)CC1CC1 269982a_100000741881_100000210681 [0,1,0,1,0,0|2,0,0]=4 31668 B13R1.3574 CCCCCCCN(C)CC1CO1 2230a_100000228206_100011216344 [0,1,0,1,0,0|1,0,0]=3 31669 B13R1.3574 CCCCCCCN(C)CC1CO1 269982a_100000228206_102125554688 [0,1,0,1,0,0|1,0,0]=3 31670 B13R1.3574 CCCCCCCN(C)CC1CS1 269982a_100000228206_100000031435 [0,1,0,1,0,0|1,1,0]=4 31671 B13R1.3574 CCCCCCCN(C)C[C@@H]1CO1 269982a_100000228206_100000745022 [0,1,0,1,0,0|1,0,0]=3 31672 B13R1.3574 CCCCCCNC(C)CC1CC1 270004a_100000210581_200000686933 [0,1,0,1,0,0|2,0,0]=4 31673 B13R1.3574 CN(CCCCCCF)CC1CC1 2230a_100000741881_100015922095 [0,1,0,1,0,0|2,0,0]=4 31674 B13R1.3574 CN(CCCCCCF)CC1CC1 269982a_100000741881_100015922095 [0,1,0,1,0,0|2,0,0]=4 31675 B13R1.3574 CN(CCCCCCO)CC1CC1 2230a_100000741881_100000766143 [0,1,0,1,0,0|1,0,0]=3 31676 B13R1.3574 CN(CCCCCCO)CC1CC1 269982a_100000741881_100000766143 [0,1,0,1,0,0|1,0,0]=3 31677 B13R1.3574 COCCCCCC(=O)CC1CO1 1458a_100011935119_100011216344 [0,1,0,1,0,0|1,0,1]=4 31678 B13R1.3574 COCCCCCC(=O)C[C@@H]1CO1 1458a_100011935119_100000745022 [0,1,0,1,0,0|1,0,1]=4 31679 B13R1.3574 O=C(CC1CC1)NCCCCCO 240690a_100000762737_100000738066 [0,1,0,1,0,0|1,0,1]=4 31680 B13R1.3574 O=C(CCCCCCF)CC1CC1 1458a_100000738066_100015922095 [0,1,0,1,0,0|1,0,1]=4 31681 B13R1.3574 O=C(CCCCCCO)CC1CC1 1458a_100000738066_100000766143 [0,1,0,1,0,0|0,0,1]=3 31682 B13R1.3574 O=C(CCCCCCO)CC1CC1 1458a_100011996774_100000742324 [0,1,0,1,0,0|0,0,1]=3 31683 B13R1.3574 O=C(CCCCCCO)CC1CO1 1458a_100011996774_100011216344 [0,1,0,1,0,0|1,0,1]=4 31684 B13R1.3574 O=C(CCCCCCO)CC1CS1 1458a_100011996774_100000031435 [0,1,0,1,0,0|1,0,1]=4 31685 B13R1.3574 O=C(CCCCCCO)C[C@@H]1CO1 1458a_100011996774_100000745022 [0,1,0,1,0,0|1,0,1]=4 31686 B13R1.3574 O=C(CCCCCCO)NC1CC1 240690a_100000212008_100011996774 [0,1,0,1,0,0|1,0,1]=4 31687 B13R1.6366 CC1CC1C(=O)CCCCCCF 1458a_100000211227_100015922095 [0,1,0,1,0,0|1,0,1]=4 31688 B13R1.6366 CC1CC1C(=O)CCCCCCO 1458a_100000211227_100000766143 [0,1,0,1,0,0|0,0,1]=3 31689 B13R1.6366 CCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210614 [0,1,0,1,0,0|1,0,1]=4 31690 B13R1.6366 CCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210614 [0,1,0,1,0,0|1,0,1]=4 31691 B13R1.6366 O=C(CCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000766143 [0,1,0,1,0,0|1,0,1]=4 31692 B13R1.90 C=C(C)CCN1CCCCC1CO 2230a_100000210821_100000730704 [0,1,0,1,0,0|1,0,1]=4 31693 B13R1.90 C=C(C)CCN1CCCCC1CO 269982a_100000210821_100000730704 [0,1,0,1,0,0|1,0,1]=4 31694 B13R1.90 C=C(C)CCN1CCCCC1CO 34a_100000210821_100000730704 [0,1,0,1,0,0|1,0,1]=4 31695 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,1,0,1,0,0|1,0,1]=4 31696 B13R1.90 CC(C)CCN1CCCCC1CO 2230a_100000210821_100000210312 [0,1,0,1,0,0|1,0,0]=3 31697 B13R1.90 CC(C)CCN1CCCCC1CO 269982a_100000210821_100000210312 [0,1,0,1,0,0|1,0,0]=3 31698 B13R1.90 CC(C)CCN1CCCCC1CO 34a_100000210821_100000210312 [0,1,0,1,0,0|1,0,0]=3 31699 B13R1.90 CC(C)CCN1CCOC[C@H]1CO 2230a_100000717676_100000210312 [0,1,0,1,0,0|2,0,0]=4 31700 B13R1.90 CC(C)CCN1CCOC[C@H]1CO 269982a_100000717676_100000210312 [0,1,0,1,0,0|2,0,0]=4 31701 B13R1.90 CC(C)CCN1CCOC[C@H]1CO 34a_100000717676_100000210312 [0,1,0,1,0,0|2,0,0]=4 31702 B13R1.90 CC(C)CNC1CCCCC1CO 270004a_100000210953_100009861125 [0,1,0,1,0,0|1,0,0]=3 31703 B13R1.90 CC(C)CNC1CCOCC1CO 2230a_214813039666_100000210760 [0,1,0,1,0,0|2,0,0]=4 31704 B13R1.90 CC(C)CNC1CCOCC1CO 270004a_214813039666_100000210432 [0,1,0,1,0,0|2,0,0]=4 31705 B13R1.90 CC(C)CNC1CCOCC1CO 34a_214813039666_100000210624 [0,1,0,1,0,0|2,0,0]=4 31706 B13R1.90 CC(C)COC1CCCCC1CN 34a_100011216029_100000210624 [0,1,0,1,0,0|2,0,0]=4 31707 B13R1.90 CC(C)OCN1CCCCC1CO 2230a_100000210821_100000709892 [0,1,0,1,0,0|2,0,0]=4 31708 B13R1.90 CC(C)OCN1CCCCC1CO 269982a_100000210821_100000709892 [0,1,0,1,0,0|2,0,0]=4 31709 B13R1.90 CC(C)OCN1CCCCC1CO 34a_100000210821_100000709892 [0,1,0,1,0,0|2,0,0]=4 31710 B13R1.90 CC(O)CCN1CCCCC1CO 2230a_100000210821_100012276601 [0,1,0,1,0,0|1,0,0]=3 31711 B13R1.90 CC(O)CCN1CCCCC1CO 269982a_100000210821_100012276601 [0,1,0,1,0,0|1,0,0]=3 31712 B13R1.90 CC(O)CCN1CCCCC1CO 34a_100000210821_100012276601 [0,1,0,1,0,0|1,0,0]=3 31713 B13R1.90 CC(O)CCN1CCOC[C@H]1CO 2230a_100000717676_100012276601 [0,1,0,1,0,0|2,0,0]=4 31714 B13R1.90 CC(O)CCN1CCOC[C@H]1CO 269982a_100000717676_100012276601 [0,1,0,1,0,0|2,0,0]=4 31715 B13R1.90 CC(O)CCN1CCOC[C@H]1CO 34a_100000717676_100012276601 [0,1,0,1,0,0|2,0,0]=4 31716 B13R1.90 CC(O)CNC1CCCCC1CO 270004a_100000210904_100009861125 [0,1,0,1,0,0|1,0,0]=3 31717 B13R1.90 CC(O)CNC1CCOCC1CO 2230a_214813039666_100011218427 [0,1,0,1,0,0|2,0,0]=4 31718 B13R1.90 CC(O)CNC1CCOCC1CO 34a_214813039666_100011218427 [0,1,0,1,0,0|2,0,0]=4 31719 B13R1.90 CC(O)COC1CCCCC1CN 34a_100011216029_100011218427 [0,1,0,1,0,0|2,0,0]=4 31720 B13R1.90 CCC1CCCCC1NCC(C)C 269862a_100000210953_100000757040 [0,1,0,1,0,0|2,0,0]=4 31721 B13R1.90 CCC1CCCCC1NCC(C)C 270004a_100000210953_100000757040 [0,1,0,1,0,0|2,0,0]=4 31722 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [0,1,0,1,0,0|1,0,0]=3 31723 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [0,1,0,1,0,0|1,0,0]=3 31724 B13R1.90 CCC1CCCCC1NCC(F)F 270004a_100000765723_100000757040 [0,1,0,1,0,0|2,0,0]=4 31725 B13R1.90 CCC1CCCCC1OCC(C)C 34a_100000210738_100000210624 [0,1,0,1,0,0|2,0,0]=4 31726 B13R1.90 CCC1CCCCC1OCC(C)C 7a_100000210738_100000210760 [0,1,0,1,0,0|2,0,0]=4 31727 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [0,1,0,1,0,0|1,0,0]=3 31728 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [0,1,0,1,0,0|1,0,0]=3 31729 B13R1.90 CCC1CCCCC1OCC(F)F 34a_100000210738_100011934356 [0,1,0,1,0,0|2,0,0]=4 31730 B13R1.90 CCC1CCCCC1OCC(F)F 7a_100000210738_100011934356 [0,1,0,1,0,0|2,0,0]=4 31731 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [0,1,0,1,0,0|1,0,0]=3 31732 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [0,1,0,1,0,0|1,0,0]=3 31733 B13R1.90 CCC1CCCCN1CCC(C)C 2230a_100000210034_100000210312 [0,1,0,1,0,0|2,0,0]=4 31734 B13R1.90 CCC1CCCCN1CCC(C)C 269982a_100000210034_100000210312 [0,1,0,1,0,0|2,0,0]=4 31735 B13R1.90 CCC1CCCCN1CCC(C)C 34a_100000210034_100000210312 [0,1,0,1,0,0|2,0,0]=4 31736 B13R1.90 CCC1CCCCN1CCC(C)O 2230a_100000210034_100012276601 [0,1,0,1,0,0|1,0,0]=3 31737 B13R1.90 CCC1CCCCN1CCC(C)O 269982a_100000210034_100012276601 [0,1,0,1,0,0|1,0,0]=3 31738 B13R1.90 CCC1CCCCN1CCC(C)O 34a_100000210034_100012276601 [0,1,0,1,0,0|1,0,0]=3 31739 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|1,0,1]=4 31740 B13R1.90 CC[C@H]1COCCN1CCC(C)O 2230a_100016988097_100012276601 [0,1,0,1,0,0|2,0,0]=4 31741 B13R1.90 CC[C@H]1COCCN1CCC(C)O 269982a_100016988097_100012276601 [0,1,0,1,0,0|2,0,0]=4 31742 B13R1.90 CC[C@H]1COCCN1CCC(C)O 34a_100016988097_100012276601 [0,1,0,1,0,0|2,0,0]=4 31743 B13R1.90 CN(C)CCN1CCCCC1CO 269982a_100000210821_100000755713 [0,1,0,1,0,0|2,0,0]=4 31744 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(C)O 34a_100000708425_100011218427 [0,1,0,1,0,0|2,0,0]=4 31745 B13R1.90 CN[C@@H]1CCCC[C@H]1OC[C@@H](C)O 34a_100000708425_100009817552 [0,1,0,1,0,0|2,0,0]=4 31746 B13R1.90 COC1CCCCC1NCC(C)O 270004a_100000210904_100000740605 [0,1,0,1,0,0|2,0,0]=4 31747 B13R1.90 COC1CCCCC1NCC(C)O 34a_100011208099_100011218427 [0,1,0,1,0,0|2,0,0]=4 31748 B13R1.90 COC1CCCCC1NC[C@@H](C)O 34a_100011208099_100009817552 [0,1,0,1,0,0|2,0,0]=4 31749 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(C)O 34a_200009815850_100011218427 [0,1,0,1,0,0|2,0,0]=4 31750 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(C)O 7a_200009815850_100011218427 [0,1,0,1,0,0|2,0,0]=4 31751 B13R1.90 CO[C@H]1CCCC[C@@H]1OC[C@@H](C)O 34a_200009815850_100009817552 [0,1,0,1,0,0|2,0,0]=4 31752 B13R1.90 CO[C@H]1CCCC[C@@H]1OC[C@@H](C)O 7a_200009815850_100009817552 [0,1,0,1,0,0|2,0,0]=4 31753 B13R1.90 C[C@@H](O)CNC1CCOCC1CO 2230a_214813039666_100009817552 [0,1,0,1,0,0|2,0,0]=4 31754 B13R1.90 C[C@@H](O)CNC1CCOCC1CO 34a_214813039666_100009817552 [0,1,0,1,0,0|2,0,0]=4 31755 B13R1.90 C[C@@H](O)COC1CCCCC1CN 34a_100011216029_100009817552 [0,1,0,1,0,0|2,0,0]=4 31756 B13R1.90 OCC1CCCCC1NCC(F)F 270004a_100000765723_100009861125 [0,1,0,1,0,0|2,0,0]=4 31757 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [0,1,0,1,0,0|1,0,1]=4 31758 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [0,1,0,1,0,0|1,0,1]=4 31759 B13R1.103 CC(C)CCCN1CCC[C@@H]1CO 2230a_100000745186_100011214892 [0,1,0,1,0,0|1,0,0]=3 31760 B13R1.103 CC(C)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011214892 [0,1,0,1,0,0|1,0,0]=3 31761 B13R1.103 CC(C)CCCN1CCC[C@@H]1CO 34a_100000745186_100011214892 [0,1,0,1,0,0|1,0,0]=3 31762 B13R1.103 CC(C)OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211751 [0,1,0,1,0,0|2,0,0]=4 31763 B13R1.103 CC(C)OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211751 [0,1,0,1,0,0|2,0,0]=4 31764 B13R1.103 CC(C)OCCN1CCC[C@@H]1CO 34a_100000745186_100000211751 [0,1,0,1,0,0|2,0,0]=4 31765 B13R1.103 CC(C)SCCN1CCC[C@@H]1CO 2230a_100000745186_100000730970 [0,1,0,1,0,0|2,0,0]=4 31766 B13R1.103 CC(C)SCCN1CCC[C@@H]1CO 269982a_100000745186_100000730970 [0,1,0,1,0,0|2,0,0]=4 31767 B13R1.103 CC(C)SCCN1CCC[C@@H]1CO 34a_100000745186_100000730970 [0,1,0,1,0,0|2,0,0]=4 31768 B13R1.103 CC(O)CCCN1CCC[C@@H]1CO 2230a_100000745186_200000718107 [0,1,0,1,0,0|1,0,0]=3 31769 B13R1.103 CC(O)CCCN1CCC[C@@H]1CO 269982a_100000745186_200000718107 [0,1,0,1,0,0|1,0,0]=3 31770 B13R1.103 CC(O)CCCN1CCC[C@@H]1CO 34a_100000745186_200000718107 [0,1,0,1,0,0|1,0,0]=3 31771 B13R1.103 CCC1CCCC1NCCC(C)C 269862a_100000210545_100000749056 [0,1,0,1,0,0|2,0,0]=4 31772 B13R1.103 CCC1CCCC1NCCC(C)C 270004a_100000210545_100000749056 [0,1,0,1,0,0|2,0,0]=4 31773 B13R1.103 CCC1CCCC1NCCC(C)O 269862a_200000755665_100000749056 [0,1,0,1,0,0|1,0,0]=3 31774 B13R1.103 CCC1CCCC1NCCC(C)O 270004a_200000755665_100000749056 [0,1,0,1,0,0|1,0,0]=3 31775 B13R1.103 CCC1CCCN1CCCC(C)C 2230a_100000754278_100011214892 [0,1,0,1,0,0|2,0,0]=4 31776 B13R1.103 CCC1CCCN1CCCC(C)C 269982a_100000754278_100011214892 [0,1,0,1,0,0|2,0,0]=4 31777 B13R1.103 CCC1CCCN1CCCC(C)C 34a_100000754278_100011214892 [0,1,0,1,0,0|2,0,0]=4 31778 B13R1.103 CCC1CCCN1CCCC(C)O 2230a_100000754278_200000718107 [0,1,0,1,0,0|1,0,0]=3 31779 B13R1.103 CCC1CCCN1CCCC(C)O 269982a_100000754278_200000718107 [0,1,0,1,0,0|1,0,0]=3 31780 B13R1.103 CCC1CCCN1CCCC(C)O 34a_100000754278_200000718107 [0,1,0,1,0,0|1,0,0]=3 31781 B13R1.103 CCN1CCCC1CNCC(C)O 2230a_100000211693_100011218427 [0,1,0,1,0,0|2,0,0]=4 31782 B13R1.103 CCN1CCCC1CNC[C@@H](C)O 2230a_100000211693_100009817552 [0,1,0,1,0,0|2,0,0]=4 31783 B13R1.103 CCN1CCC[C@@H]1COCC(C)O 34a_100011739246_100011218427 [0,1,0,1,0,0|2,0,0]=4 31784 B13R1.103 CCN1CCC[C@@H]1COCC(C)O 7a_100011739246_100011218427 [0,1,0,1,0,0|2,0,0]=4 31785 B13R1.103 CCN1CCC[C@@H]1COC[C@@H](C)O 34a_100011739246_100009817552 [0,1,0,1,0,0|2,0,0]=4 31786 B13R1.103 CCN1CCC[C@@H]1COC[C@@H](C)O 7a_100011739246_100009817552 [0,1,0,1,0,0|2,0,0]=4 31787 B13R1.103 CN(C)CCCN1CCC[C@@H]1CO 269982a_100000745186_100000757444 [0,1,0,1,0,0|2,0,0]=4 31788 B13R1.158 C=C(C)CCOC1CCCCC1O 34a_100000764851_100000038908 [0,1,0,1,0,0|1,0,1]=4 31789 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000038908_100000730704 [0,1,0,1,0,0|1,0,1]=4 31790 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000730704_100000038908 [0,1,0,1,0,0|1,0,1]=4 31791 B13R1.158 C=C(C)CNCC1CCCCC1O 34a_100011216029_100000748629 [0,1,0,1,0,0|1,0,1]=4 31792 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,1,0,1,0,0|1,0,1]=4 31793 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,1,0,1,0,0|1,0,1]=4 31794 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,1,0,1,0,0|1,0,1]=4 31795 B13R1.158 CC(Br)CCOC1CCCCC1F 34a_100009893172_100015423560 [0,1,0,1,0,0|2,0,0]=4 31796 B13R1.158 CC(Br)CCOC1CCCCC1O 34a_100009893172_100000038908 [0,1,0,1,0,0|1,0,0]=3 31797 B13R1.158 CC(C)CCCN1CCCCC1C 2230a_100000211376_100011214892 [0,1,0,1,0,0|2,0,0]=4 31798 B13R1.158 CC(C)CCCN1CCCCC1C 269982a_100000211376_100011214892 [0,1,0,1,0,0|2,0,0]=4 31799 B13R1.158 CC(C)CCCN1CCCCC1C 34a_100000211376_100011214892 [0,1,0,1,0,0|2,0,0]=4 31800 B13R1.158 CC(C)CCNC1CCCCC1C 2230a_100000211402_100000210312 [0,1,0,1,0,0|2,0,0]=4 31801 B13R1.158 CC(C)CCNC1CCCCC1C 269862a_100000210545_100000210921 [0,1,0,1,0,0|2,0,0]=4 31802 B13R1.158 CC(C)CCNC1CCCCC1C 269862a_100000211402_100000185833 [0,1,0,1,0,0|2,0,0]=4 31803 B13R1.158 CC(C)CCNC1CCCCC1C 270004a_100000210545_100000210921 [0,1,0,1,0,0|2,0,0]=4 31804 B13R1.158 CC(C)CCNC1CCCCC1C 34a_100000211402_100000210312 [0,1,0,1,0,0|2,0,0]=4 31805 B13R1.158 CC(C)CCN[C@@H]1CCCC[C@@H]1O 269862a_100015191688_100000185833 [0,1,0,1,0,0|1,0,0]=3 31806 B13R1.158 CC(C)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210312 [0,1,0,1,0,0|2,0,0]=4 31807 B13R1.158 CC(C)CCN[C@@H]1CCCC[C@H]1F 269862a_100015195156_100000185833 [0,1,0,1,0,0|2,0,0]=4 31808 B13R1.158 CC(C)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210312 [0,1,0,1,0,0|2,0,0]=4 31809 B13R1.158 CC(C)CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210312 [0,1,0,1,0,0|2,0,0]=4 31810 B13R1.158 CC(C)CCN[C@@H]1CCOC[C@@H]1O 269862a_100016994285_100000185833 [0,1,0,1,0,0|2,0,0]=4 31811 B13R1.158 CC(C)CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210312 [0,1,0,1,0,0|2,0,0]=4 31812 B13R1.158 CC(C)CCN[C@H]1COCC[C@@H]1O 269862a_100015739063_100000185833 [0,1,0,1,0,0|2,0,0]=4 31813 B13R1.158 CC(C)CCOC1CCCCC1C 34a_100000211207_100000210312 [0,1,0,1,0,0|2,0,0]=4 31814 B13R1.158 CC(C)CCOC1CCCCC1C 7a_100000211207_100000210626 [0,1,0,1,0,0|2,0,0]=4 31815 B13R1.158 CC(C)CCOC1CCCCC1Cl 34a_100000038908_100000210312 [0,1,0,1,0,0|2,0,0]=4 31816 B13R1.158 CC(C)CCOC1CCCCC1Cl 7a_100000038908_100000210626 [0,1,0,1,0,0|2,0,0]=4 31817 B13R1.158 CC(C)CCOC1CCCCC1F 34a_100000210254_100015423560 [0,1,0,1,0,0|2,0,0]=4 31818 B13R1.158 CC(C)CCOC1CCCCC1O 34a_100000210254_100000038908 [0,1,0,1,0,0|1,0,0]=3 31819 B13R1.158 CC(C)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210312 [0,1,0,1,0,0|2,0,0]=4 31820 B13R1.158 CC(C)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210626 [0,1,0,1,0,0|2,0,0]=4 31821 B13R1.158 CC(C)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210312 [0,1,0,1,0,0|2,0,0]=4 31822 B13R1.158 CC(C)CCSC1CCCCC1F 62a_100000210312_100015423560 [0,1,0,1,0,0|2,0,0]=4 31823 B13R1.158 CC(C)CCSC1CCCCC1F 62a_100015423560_100000210312 [0,1,0,1,0,0|2,0,0]=4 31824 B13R1.158 CC(C)CCSC1CCCCC1O 62a_100000038908_100000210312 [0,1,0,1,0,0|1,0,0]=3 31825 B13R1.158 CC(C)CCSC1CCCCC1O 62a_100000210312_100000038908 [0,1,0,1,0,0|1,0,0]=3 31826 B13R1.158 CC(C)CNCC1CCCCC1O 270004a_100011216029_100000210432 [0,1,0,1,0,0|1,0,0]=3 31827 B13R1.158 CC(C)CNCC1CCCCC1O 34a_100011216029_100000210624 [0,1,0,1,0,0|1,0,0]=3 31828 B13R1.158 CC(C)OCSC1CCCCC1O 62a_100000038908_100000709892 [0,1,0,1,0,0|2,0,0]=4 31829 B13R1.158 CC(C)OCSC1CCCCC1O 62a_100000709892_100000038908 [0,1,0,1,0,0|2,0,0]=4 31830 B13R1.158 CC(O)CCCN1CCCCC1C 2230a_100000211376_200000718107 [0,1,0,1,0,0|1,0,0]=3 31831 B13R1.158 CC(O)CCCN1CCCCC1C 269982a_100000211376_200000718107 [0,1,0,1,0,0|1,0,0]=3 31832 B13R1.158 CC(O)CCCN1CCCCC1C 34a_100000211376_200000718107 [0,1,0,1,0,0|1,0,0]=3 31833 B13R1.158 CC(O)CCCN1CCOC[C@@H]1C 2230a_100009815349_200000718107 [0,1,0,1,0,0|2,0,0]=4 31834 B13R1.158 CC(O)CCCN1CCOC[C@@H]1C 269982a_100009815349_200000718107 [0,1,0,1,0,0|2,0,0]=4 31835 B13R1.158 CC(O)CCCN1CCOC[C@@H]1C 34a_100009815349_200000718107 [0,1,0,1,0,0|2,0,0]=4 31836 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [0,1,0,1,0,0|1,0,0]=3 31837 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [0,1,0,1,0,0|1,0,0]=3 31838 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [0,1,0,1,0,0|1,0,0]=3 31839 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [0,1,0,1,0,0|1,0,0]=3 31840 B13R1.158 CC(O)CCNC1CCNCC1C 270004a_200000755665_100000703950 [0,1,0,1,0,0|2,0,0]=4 31841 B13R1.158 CC(O)CCNC1CCOCC1C 270004a_200000755665_100000755695 [0,1,0,1,0,0|2,0,0]=4 31842 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100012276601 [0,1,0,1,0,0|2,0,0]=4 31843 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100012276601 [0,1,0,1,0,0|2,0,0]=4 31844 B13R1.158 CC(O)CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100012276601 [0,1,0,1,0,0|2,0,0]=4 31845 B13R1.158 CC(O)CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100012276601 [0,1,0,1,0,0|2,0,0]=4 31846 B13R1.158 CC(O)CCOC1CCCCC1C 34a_100000211207_100012276601 [0,1,0,1,0,0|1,0,0]=3 31847 B13R1.158 CC(O)CCOC1CCCCC1C 7a_100000211207_100012276601 [0,1,0,1,0,0|1,0,0]=3 31848 B13R1.158 CC(O)CCOC1CCCCC1Cl 34a_100000038908_100012276601 [0,1,0,1,0,0|2,0,0]=4 31849 B13R1.158 CC(O)CCOC1CCCCC1Cl 7a_100000038908_100012276601 [0,1,0,1,0,0|2,0,0]=4 31850 B13R1.158 CC(O)CCOC1CCNCC1C 34a_100011998114_100012276601 [0,1,0,1,0,0|2,0,0]=4 31851 B13R1.158 CC(O)CCOC1CNCCC1C 34a_100000696640_100012276601 [0,1,0,1,0,0|2,0,0]=4 31852 B13R1.158 CC(O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100012276601 [0,1,0,1,0,0|2,0,0]=4 31853 B13R1.158 CC(O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100012276601 [0,1,0,1,0,0|2,0,0]=4 31854 B13R1.158 CC(O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100012276601 [0,1,0,1,0,0|2,0,0]=4 31855 B13R1.158 CC(O)CCSC1CCCCC1F 62a_100012276601_100015423560 [0,1,0,1,0,0|2,0,0]=4 31856 B13R1.158 CC(O)CCSC1CCCCC1F 62a_100015423560_100012276601 [0,1,0,1,0,0|2,0,0]=4 31857 B13R1.158 CC(O)CCSC1CCCCC1O 62a_100000038908_100012276601 [0,1,0,1,0,0|1,0,0]=3 31858 B13R1.158 CC(O)CCSC1CCCCC1O 62a_100012276601_100000038908 [0,1,0,1,0,0|1,0,0]=3 31859 B13R1.158 CC(O)CNCC1CCCCC1O 34a_100011216029_100011218427 [0,1,0,1,0,0|1,0,0]=3 31860 B13R1.158 CC(O)CNCC1CCCCN1C 34a_100000210904_100015186950 [0,1,0,1,0,0|2,0,0]=4 31861 B13R1.158 CC(O)CNCC1CCCCN1C 34a_100011228421_100011218427 [0,1,0,1,0,0|2,0,0]=4 31862 B13R1.158 CC(O)COCC1CCCCN1C 34a_100000225079_100011218427 [0,1,0,1,0,0|2,0,0]=4 31863 B13R1.158 CC(O)CSCC1CCCCN1C 62a_100011218427_100015185383 [0,1,0,1,0,0|2,0,0]=4 31864 B13R1.158 CC(O)CSCC1CCCCN1C 62a_100015185383_100011218427 [0,1,0,1,0,0|2,0,0]=4 31865 B13R1.158 CN(C)CCSC1CCCCC1O 62a_100000038908_100000755713 [0,1,0,1,0,0|2,0,0]=4 31866 B13R1.158 C[C@@H](N)CCOC1CCCCC1F 34a_100000706166_100015423560 [0,1,0,1,0,0|2,0,0]=4 31867 B13R1.158 C[C@@H](N)CCOC1CCCCC1O 34a_100000706166_100000038908 [0,1,0,1,0,0|1,0,0]=3 31868 B13R1.158 C[C@@H](O)CNCC1CCCCC1O 34a_100011216029_100009817552 [0,1,0,1,0,0|1,0,0]=3 31869 B13R1.158 C[C@@H](O)CNCC1CCCCN1C 34a_100011228421_100009817552 [0,1,0,1,0,0|2,0,0]=4 31870 B13R1.158 C[C@@H](O)COCC1CCCCN1C 34a_100000225079_100009817552 [0,1,0,1,0,0|2,0,0]=4 31871 B13R1.158 C[C@@H](O)CSCC1CCCCN1C 62a_100009817552_100015185383 [0,1,0,1,0,0|2,0,0]=4 31872 B13R1.158 C[C@@H](O)CSCC1CCCCN1C 62a_100015185383_100009817552 [0,1,0,1,0,0|2,0,0]=4 31873 B13R1.158 OC1CCCCC1CNCC(F)F 34a_100011216029_100011934356 [0,1,0,1,0,0|2,0,0]=4 31874 B13R1.158 OC1CCCCC1OCCC(F)F 34a_100103093639_100000038908 [0,1,0,1,0,0|2,0,0]=4 31875 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [0,1,0,1,0,0|1,0,1]=4 31876 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [0,1,0,1,0,0|1,0,1]=4 31877 B13R1.167 CC(C)CCCCN1CCC[C@@H]1C 2230a_100020605311_100011216152 [0,1,0,1,0,0|2,0,0]=4 31878 B13R1.167 CC(C)CCCCN1CCC[C@@H]1C 269982a_100020605311_100011216152 [0,1,0,1,0,0|2,0,0]=4 31879 B13R1.167 CC(C)CCCCN1CCC[C@H]1C 2230a_100015189458_100011216152 [0,1,0,1,0,0|2,0,0]=4 31880 B13R1.167 CC(C)CCCCN1CCC[C@H]1C 269982a_100015189458_100011216152 [0,1,0,1,0,0|2,0,0]=4 31881 B13R1.167 CC(C)CCCCN1CCC[C@H]1C 34a_100015189458_100011216152 [0,1,0,1,0,0|2,0,0]=4 31882 B13R1.167 CC(C)CCCNC1CCCC1C 269862a_200000737386_100000752053 [0,1,0,1,0,0|2,0,0]=4 31883 B13R1.167 CC(C)CCCNC1COCC1O 34a_200000737386_200000725654 [0,1,0,1,0,0|2,0,0]=4 31884 B13R1.167 CC(C)CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011214892 [0,1,0,1,0,0|2,0,0]=4 31885 B13R1.167 CC(C)CCCOC1CCCC1C 34a_100011216460_100011214892 [0,1,0,1,0,0|2,0,0]=4 31886 B13R1.167 CC(C)CCCOC1CCCC1C 7a_100011216460_100011214892 [0,1,0,1,0,0|2,0,0]=4 31887 B13R1.167 CC(C)CCCOC1COCC1O 34a_100000210774_200000725654 [0,1,0,1,0,0|2,0,0]=4 31888 B13R1.167 CC(C)CCCOC1COCC1O 7a_100000210774_200000725654 [0,1,0,1,0,0|2,0,0]=4 31889 B13R1.167 CC(C)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011214892 [0,1,0,1,0,0|2,0,0]=4 31890 B13R1.167 CC(C)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011214892 [0,1,0,1,0,0|2,0,0]=4 31891 B13R1.167 CC(C)CCCSC1COCC1O 62a_100011214892_200000725654 [0,1,0,1,0,0|2,0,0]=4 31892 B13R1.167 CC(C)CCCSC1COCC1O 62a_200000725654_100011214892 [0,1,0,1,0,0|2,0,0]=4 31893 B13R1.167 CC(C)CCCS[C@@H]1CCC[C@H]1O 62a_100011214892_200016002552 [0,1,0,1,0,0|1,0,0]=3 31894 B13R1.167 CC(C)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011214892 [0,1,0,1,0,0|1,0,0]=3 31895 B13R1.167 CC(C)OCCS[C@@H]1CCC[C@H]1O 62a_100000211751_200016002552 [0,1,0,1,0,0|2,0,0]=4 31896 B13R1.167 CC(C)OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211751 [0,1,0,1,0,0|2,0,0]=4 31897 B13R1.167 CC(C)SCCS[C@@H]1CCC[C@H]1O 62a_100000730970_200016002552 [0,1,0,1,0,0|2,0,0]=4 31898 B13R1.167 CC(C)SCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000730970 [0,1,0,1,0,0|2,0,0]=4 31899 B13R1.167 CC(O)CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_200000718107 [0,1,0,1,0,0|2,0,0]=4 31900 B13R1.167 CC(O)CCCOC1CCCC1C 34a_100011216460_200000718107 [0,1,0,1,0,0|1,0,0]=3 31901 B13R1.167 CC(O)CCCOC1CCCC1C 7a_100011216460_200000718107 [0,1,0,1,0,0|1,0,0]=3 31902 B13R1.167 CC(O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000718107 [0,1,0,1,0,0|2,0,0]=4 31903 B13R1.167 CC(O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_200000718107 [0,1,0,1,0,0|2,0,0]=4 31904 B13R1.167 CC(O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_200000718107 [0,1,0,1,0,0|2,0,0]=4 31905 B13R1.167 CC(O)CCCSC1COCC1O 62a_200000718107_200000725654 [0,1,0,1,0,0|2,0,0]=4 31906 B13R1.167 CC(O)CCCSC1COCC1O 62a_200000725654_200000718107 [0,1,0,1,0,0|2,0,0]=4 31907 B13R1.167 CC(O)CCCS[C@@H]1CCC[C@H]1O 62a_200000718107_200016002552 [0,1,0,1,0,0|1,0,0]=3 31908 B13R1.167 CC(O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200000718107 [0,1,0,1,0,0|1,0,0]=3 31909 B13R1.167 CC(O)CCOCC1CCCN1C 34a_100000743107_100012276601 [0,1,0,1,0,0|2,0,0]=4 31910 B13R1.167 CC(O)CNCCC1CCCN1C 2230a_100000210904_100000005710 [0,1,0,1,0,0|2,0,0]=4 31911 B13R1.167 CC(O)CNCCC1CCCN1C 34a_100000210904_100000005710 [0,1,0,1,0,0|2,0,0]=4 31912 B13R1.167 CC(O)COCCC1CCCN1C 34a_100011215177_100011218427 [0,1,0,1,0,0|2,0,0]=4 31913 B13R1.167 CC(O)COCCC1CCCN1C 7a_100011215177_100011218427 [0,1,0,1,0,0|2,0,0]=4 31914 B13R1.167 CC(O)CSCCC1CCCN1C 62a_100000005710_100011218427 [0,1,0,1,0,0|2,0,0]=4 31915 B13R1.167 CC(O)CSCCC1CCCN1C 62a_100011218427_100000005710 [0,1,0,1,0,0|2,0,0]=4 31916 B13R1.167 CN(C)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757444 [0,1,0,1,0,0|2,0,0]=4 31917 B13R1.167 C[C@@H](O)COCCC1CCCN1C 34a_100011215177_100009817552 [0,1,0,1,0,0|2,0,0]=4 31918 B13R1.167 C[C@@H](O)COCCC1CCCN1C 7a_100011215177_100009817552 [0,1,0,1,0,0|2,0,0]=4 31919 B13R1.167 C[C@@H](O)CSCCC1CCCN1C 62a_100000005710_100009817552 [0,1,0,1,0,0|2,0,0]=4 31920 B13R1.167 C[C@@H](O)CSCCC1CCCN1C 62a_100009817552_100000005710 [0,1,0,1,0,0|2,0,0]=4 31921 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 2230a_100015189458_200009817182 [0,1,0,1,0,0|2,0,0]=4 31922 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 269982a_100015189458_200009817182 [0,1,0,1,0,0|2,0,0]=4 31923 B13R1.167 C[C@@H]1CCCN1CCCCB(O)O 34a_100015189458_200009817182 [0,1,0,1,0,0|2,0,0]=4 31924 B13R1.167 C[C@H]1CCCN1CCCCB(O)O 2230a_100020605311_200009817182 [0,1,0,1,0,0|2,0,0]=4 31925 B13R1.167 C[C@H]1CCCN1CCCCB(O)O 269982a_100020605311_200009817182 [0,1,0,1,0,0|2,0,0]=4 31926 B13R1.193 CC1(CCCC1NCCCCO)C 269862a_100000750430_100000065263 [0,1,0,1,0,0|1,0,0]=3 31927 B13R1.193 CC1(CCCC1OCCCCF)C 34a_100000726220_100000729493 [0,1,0,1,0,0|2,0,0]=4 31928 B13R1.193 CC1(CCCC1OCCCCF)C 7a_100000726220_100000729493 [0,1,0,1,0,0|2,0,0]=4 31929 B13R1.193 CC1(CCCC1OCCCCO)C 34a_100000726220_100011216708 [0,1,0,1,0,0|1,0,0]=3 31930 B13R1.193 CC1(CCCC1OCCCCO)C 7a_100000726220_100000210776 [0,1,0,1,0,0|1,0,0]=3 31931 B13R1.193 CC1(CCCN1CCCCCF)C 2230a_100000761399_100000729378 [0,1,0,1,0,0|2,0,0]=4 31932 B13R1.193 CC1(CCCN1CCCCCF)C 269982a_100000761399_100000729378 [0,1,0,1,0,0|2,0,0]=4 31933 B13R1.193 CC1(CCCN1CCCCCF)C 34a_100000761399_100000729378 [0,1,0,1,0,0|2,0,0]=4 31934 B13R1.193 CC1(CCCN1CCCCCO)C 2230a_100000761399_100000746330 [0,1,0,1,0,0|1,0,0]=3 31935 B13R1.193 CC1(CCCN1CCCCCO)C 269982a_100000761399_100000746330 [0,1,0,1,0,0|1,0,0]=3 31936 B13R1.193 CC1(CCCN1CCCCCO)C 34a_100000761399_100000746330 [0,1,0,1,0,0|1,0,0]=3 31937 B13R1.193 CC1(CCCN1CCNCCO)C 2230a_100015204988_100000211926 [0,1,0,1,0,0|2,0,0]=4 31938 B13R1.193 CC1(CCCN1CCOCCO)C 2230a_100000761399_100011215305 [0,1,0,1,0,0|2,0,0]=4 31939 B13R1.193 CC1(CCCN1CCOCCO)C 269982a_100000761399_100011215305 [0,1,0,1,0,0|2,0,0]=4 31940 B13R1.193 CC1(CCCN1CCOCCO)C 34a_100000761399_100000692535 [0,1,0,1,0,0|2,0,0]=4 31941 B13R1.193 CC1(COCN1CCCCCO)C 2230a_100000043020_100000746330 [0,1,0,1,0,0|2,0,0]=4 31942 B13R1.193 CC1(COCN1CCCCCO)C 269982a_100000043020_100000746330 [0,1,0,1,0,0|2,0,0]=4 31943 B13R1.193 CC1(SCCN1CCCCCO)C 2230a_100011217261_100000746330 [0,1,0,1,0,0|2,0,0]=4 31944 B13R1.193 CC1(SCCN1CCCCCO)C 269982a_100011217261_100000746330 [0,1,0,1,0,0|2,0,0]=4 31945 B13R1.193 CC1(SCCN1CCCCCO)C 34a_100011217261_100000746330 [0,1,0,1,0,0|2,0,0]=4 31946 B13R1.193 CCCCCCN1CCCC1(C)C 2230a_100000761399_100000210314 [0,1,0,1,0,0|2,0,0]=4 31947 B13R1.193 CCCCCCN1CCCC1(C)C 269982a_100000761399_100000210757 [0,1,0,1,0,0|2,0,0]=4 31948 B13R1.193 CCCCCCN1CCCC1(C)C 34a_100000761399_100000210314 [0,1,0,1,0,0|2,0,0]=4 31949 B13R1.193 CCCCCNC1CCCC1(C)C 269862a_100000209983_100000065263 [0,1,0,1,0,0|2,0,0]=4 31950 B13R1.193 CCCCCNC1CCCC1(F)F 2230a_100000767123_100000210326 [0,1,0,1,0,0|2,0,0]=4 31951 B13R1.193 CCCCCNC1CCCC1(F)F 34a_100000767123_100000718602 [0,1,0,1,0,0|2,0,0]=4 31952 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210326 [0,1,0,1,0,0|1,0,0]=3 31953 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000718602 [0,1,0,1,0,0|1,0,0]=3 31954 B13R1.193 CCCCCOC1CCCC1(C)C 34a_100000726220_100000718602 [0,1,0,1,0,0|2,0,0]=4 31955 B13R1.193 CCCCCOC1CCCC1(C)C 7a_100000726220_100000210326 [0,1,0,1,0,0|2,0,0]=4 31956 B13R1.193 CCCCCOC1CCCC1(F)F 34a_100000210253_100119073726 [0,1,0,1,0,0|2,0,0]=4 31957 B13R1.193 CCCCCSC1CCCC1(F)F 62a_100000210326_100119073726 [0,1,0,1,0,0|2,0,0]=4 31958 B13R1.193 CCCCCSC1CCCC1(F)F 62a_100119073726_100000210326 [0,1,0,1,0,0|2,0,0]=4 31959 B13R1.193 CCOCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011215890 [0,1,0,1,0,0|2,0,0]=4 31960 B13R1.193 CCOCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210147 [0,1,0,1,0,0|2,0,0]=4 31961 B13R1.193 CCSCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000757381 [0,1,0,1,0,0|2,0,0]=4 31962 B13R1.193 CCSCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000757381 [0,1,0,1,0,0|2,0,0]=4 31963 B13R1.193 COCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000740836 [0,1,0,1,0,0|2,0,0]=4 31964 B13R1.193 COCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000740836 [0,1,0,1,0,0|2,0,0]=4 31965 B13R1.193 C[C@]1(CCC[C@H]1NCCCCF)O 2230a_100015977457_100000729493 [0,1,0,1,0,0|2,0,0]=4 31966 B13R1.193 C[C@]1(CCC[C@H]1NCCCCF)O 34a_100015977457_100000729493 [0,1,0,1,0,0|2,0,0]=4 31967 B13R1.193 C[C@]1(CCC[C@H]1NCCCCO)O 2230a_100015977457_100000210776 [0,1,0,1,0,0|1,0,0]=3 31968 B13R1.193 C[C@]1(CCC[C@H]1NCCCCO)O 34a_100015977457_100011216708 [0,1,0,1,0,0|1,0,0]=3 31969 B13R1.193 OCCCCNC1CCCC1(F)F 2230a_100000767123_100000210776 [0,1,0,1,0,0|2,0,0]=4 31970 B13R1.193 OCCCCNC1CCCC1(F)F 34a_100000750430_100119073726 [0,1,0,1,0,0|2,0,0]=4 31971 B13R1.193 OCCCCNC1CCCC1(F)F 34a_100000767123_100011216708 [0,1,0,1,0,0|2,0,0]=4 31972 B13R1.193 OCCCCSC1CCCC1(F)F 62a_100000210776_100119073726 [0,1,0,1,0,0|2,0,0]=4 31973 B13R1.193 OCCCCSC1CCCC1(F)F 62a_100119073726_100000210776 [0,1,0,1,0,0|2,0,0]=4 31974 B13R1.198 CC(C)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210682 [0,1,0,1,0,0|2,0,0]=4 31975 B13R1.198 CC(C)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210682 [0,1,0,1,0,0|2,0,0]=4 31976 B13R1.198 CC(C)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210682 [0,1,0,1,0,0|2,0,0]=4 31977 B13R1.198 CC(C)CCCCOCC1CC1C 34a_100000744939_100011216152 [0,1,0,1,0,0|2,0,0]=4 31978 B13R1.198 CC(C)CCCCOCC1CC1C 7a_100000744939_100011216152 [0,1,0,1,0,0|2,0,0]=4 31979 B13R1.198 CC1CC1COCCCCB(O)O 34a_100000744939_200009817182 [0,1,0,1,0,0|2,0,0]=4 31980 B13R1.198 CC1CC1COCCCCB(O)O 7a_100000744939_200009817182 [0,1,0,1,0,0|2,0,0]=4 31981 B13R1.218 COCC1CCN1CCCC(C)O 2230a_100015195929_200000718107 [0,1,0,1,0,0|2,0,0]=4 31982 B13R1.218 COCC1CCN1CCCC(C)O 269982a_100015195929_200000718107 [0,1,0,1,0,0|2,0,0]=4 31983 B13R1.218 COCC1CCN1CCCC(C)O 34a_100015195929_200000718107 [0,1,0,1,0,0|2,0,0]=4 31984 B13R1.224 CC(C)C1CCCCCN1CCF 2230a_100000697956_100011217306 [0,1,0,1,0,0|2,0,0]=4 31985 B13R1.224 CC(C)C1CCCCCN1CCF 269982a_100000697956_100011217306 [0,1,0,1,0,0|2,0,0]=4 31986 B13R1.224 CC(C)C1CCCCCN1CCF 34a_100000697956_100011217306 [0,1,0,1,0,0|2,0,0]=4 31987 B13R1.224 CC(C)C1CCCCCN1CCO 2230a_100000697956_100000211926 [0,1,0,1,0,0|1,0,0]=3 31988 B13R1.224 CC(C)C1CCCCCN1CCO 269982a_100000697956_100000211926 [0,1,0,1,0,0|1,0,0]=3 31989 B13R1.224 CC(C)C1CCCCCN1CCO 34a_100000697956_100000211926 [0,1,0,1,0,0|1,0,0]=3 31990 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|1,0,1]=4 31991 B13R1.224 CCCN1CCCCCC1C(C)C 2230a_100000697956_100000210303 [0,1,0,1,0,0|2,0,0]=4 31992 B13R1.224 CCCN1CCCCCC1C(C)C 269982a_100000697956_100000210303 [0,1,0,1,0,0|2,0,0]=4 31993 B13R1.224 CCCN1CCCCCC1C(C)C 34a_100000697956_100000210303 [0,1,0,1,0,0|2,0,0]=4 31994 B13R1.297 CC(C)CCCCCN1CCC1C 269982a_100000755817_100000210682 [0,1,0,1,0,0|2,0,0]=4 31995 B13R1.297 CC(C)CCCCCN1CCC1C 34a_100000755817_100000210682 [0,1,0,1,0,0|2,0,0]=4 31996 B13R1.297 CC1CCN1CCCCCB(O)O 269982a_100000755817_200009817188 [0,1,0,1,0,0|2,0,0]=4 31997 B13R1.297 CC1CCN1CCCCCB(O)O 34a_100000755817_200009817188 [0,1,0,1,0,0|2,0,0]=4 31998 B13R1.337 C=C(C)CCNCC1CCCCO1 2230a_100000174945_100000730704 [0,1,0,1,0,0|1,0,1]=4 31999 B13R1.337 C=C(C)CCNCC1CCCCO1 34a_100000174945_100000730704 [0,1,0,1,0,0|1,0,1]=4 32000 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000211370_100000730704 [0,1,0,1,0,0|1,0,1]=4 32001 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000764851_100000211543 [0,1,0,1,0,0|1,0,1]=4 32002 B13R1.337 C=C(C)CCOCC1CCCCO1 7a_100000211370_100000730704 [0,1,0,1,0,0|1,0,1]=4 32003 B13R1.337 C=C(C)CCSCC1CCCCO1 62a_100000211543_100000730704 [0,1,0,1,0,0|1,0,1]=4 32004 B13R1.337 C=C(C)CCSCC1CCCCO1 62a_100000730704_100000211543 [0,1,0,1,0,0|1,0,1]=4 32005 B13R1.337 C=C(C)CNCCC1CCCCO1 2230a_100015183643_100000748629 [0,1,0,1,0,0|1,0,1]=4 32006 B13R1.337 C=C(C)CNCCC1CCCCO1 34a_100015183643_100000748629 [0,1,0,1,0,0|1,0,1]=4 32007 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,1,0,1,0,0|0,0,2]=4 32008 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,1,0,1,0,0|1,0,1]=4 32009 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,1,0,1,0,0|1,0,1]=4 32010 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,1,0,1,0,0|1,0,1]=4 32011 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,1,0,1,0,0|1,0,1]=4 32012 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,1,0,1,0,0|1,0,1]=4 32013 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,1,0,1,0,0|1,0,1]=4 32014 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,1,0,1,0,0|1,0,1]=4 32015 B13R1.337 CC(Br)CCOCC1CCCCC1 34a_100009893172_100000211423 [0,1,0,1,0,0|2,0,0]=4 32016 B13R1.337 CC(Br)CCOCC1CCCCO1 34a_100009893172_100000211543 [0,1,0,1,0,0|1,0,0]=3 32017 B13R1.337 CC(Br)COCCC1CCCCC1 34a_100012180447_100011209188 [0,1,0,1,0,0|2,0,0]=4 32018 B13R1.337 CC(Br)COCCC1OCCCO1 34a_100012180447_100000764188 [0,1,0,1,0,0|2,0,0]=4 32019 B13R1.337 CC(C)CCCNC1CCCCC1 2230a_100000182618_100011214892 [0,1,0,1,0,0|2,0,0]=4 32020 B13R1.337 CC(C)CCCNC1CCCCC1 270004a_200000737386_100000210434 [0,1,0,1,0,0|2,0,0]=4 32021 B13R1.337 CC(C)CCCNC1CCCCC1 34a_100000182618_100011214892 [0,1,0,1,0,0|2,0,0]=4 32022 B13R1.337 CC(C)CCCNC1CCCCC1 34a_200000737386_100000210327 [0,1,0,1,0,0|2,0,0]=4 32023 B13R1.337 CC(C)CCCOC1CCCCC1 34a_100000210231_100011214892 [0,1,0,1,0,0|2,0,0]=4 32024 B13R1.337 CC(C)CCCOC1CCCCC1 34a_100000210774_100000210327 [0,1,0,1,0,0|2,0,0]=4 32025 B13R1.337 CC(C)CCCOC1CCCCC1 7a_100000210231_100011214892 [0,1,0,1,0,0|2,0,0]=4 32026 B13R1.337 CC(C)CCCOC1CCCCC1 7a_100000210774_100000210327 [0,1,0,1,0,0|2,0,0]=4 32027 B13R1.337 CC(C)CCCOC1CCCCO1 34a_100000033831_100011214892 [0,1,0,1,0,0|1,0,0]=3 32028 B13R1.337 CC(C)CCCSC1CCCCC1 62a_100000210327_100011214892 [0,1,0,1,0,0|2,0,0]=4 32029 B13R1.337 CC(C)CCCSC1CCCCC1 62a_100011214892_100000210327 [0,1,0,1,0,0|2,0,0]=4 32030 B13R1.337 CC(C)CCNCC1CCCCC1 2230a_100000210473_100000210312 [0,1,0,1,0,0|2,0,0]=4 32031 B13R1.337 CC(C)CCNCC1CCCCC1 269862a_100000210473_100000185833 [0,1,0,1,0,0|2,0,0]=4 32032 B13R1.337 CC(C)CCNCC1CCCCC1 269862a_100000210545_100000211278 [0,1,0,1,0,0|2,0,0]=4 32033 B13R1.337 CC(C)CCNCC1CCCCC1 34a_100000210473_100000210312 [0,1,0,1,0,0|2,0,0]=4 32034 B13R1.337 CC(C)CCNCC1CCCCO1 2230a_100000174945_100000210312 [0,1,0,1,0,0|1,0,0]=3 32035 B13R1.337 CC(C)CCNCC1CCCCO1 269862a_100000174945_100000185833 [0,1,0,1,0,0|1,0,0]=3 32036 B13R1.337 CC(C)CCNCC1CCCCO1 34a_100000174945_100000210312 [0,1,0,1,0,0|1,0,0]=3 32037 B13R1.337 CC(C)CCNC[C@H]1COCCO1 2230a_100010981119_100000210312 [0,1,0,1,0,0|2,0,0]=4 32038 B13R1.337 CC(C)CCNC[C@H]1COCCO1 269862a_100010981119_100000185833 [0,1,0,1,0,0|2,0,0]=4 32039 B13R1.337 CC(C)CCNC[C@H]1COCCO1 34a_100010981119_100000210312 [0,1,0,1,0,0|2,0,0]=4 32040 B13R1.337 CC(C)CCOCC1CCCCC1 34a_100000210254_100000211423 [0,1,0,1,0,0|2,0,0]=4 32041 B13R1.337 CC(C)CCOCC1CCCCC1 34a_100000212181_100000210312 [0,1,0,1,0,0|2,0,0]=4 32042 B13R1.337 CC(C)CCOCC1CCCCC1 7a_100000210254_100000211423 [0,1,0,1,0,0|2,0,0]=4 32043 B13R1.337 CC(C)CCOCC1CCCCC1 7a_100000212181_100000210626 [0,1,0,1,0,0|2,0,0]=4 32044 B13R1.337 CC(C)CCOCC1CCCCN1 34a_100000210821_100000210312 [0,1,0,1,0,0|2,0,0]=4 32045 B13R1.337 CC(C)CCOCC1CCCCO1 34a_100000210254_100000211543 [0,1,0,1,0,0|1,0,0]=3 32046 B13R1.337 CC(C)CCOCC1CCCCO1 34a_100000211370_100000210312 [0,1,0,1,0,0|1,0,0]=3 32047 B13R1.337 CC(C)CCOCC1CCCCO1 7a_100000210254_100000211543 [0,1,0,1,0,0|1,0,0]=3 32048 B13R1.337 CC(C)CCOCC1CCCCO1 7a_100000211370_100000210626 [0,1,0,1,0,0|1,0,0]=3 32049 B13R1.337 CC(C)CCOC[C@@H]1CNCCO1 34a_100015189573_100000210312 [0,1,0,1,0,0|2,0,0]=4 32050 B13R1.337 CC(C)CCOC[C@H]1COCCO1 34a_100009875890_100000210312 [0,1,0,1,0,0|2,0,0]=4 32051 B13R1.337 CC(C)CCSCC1CCCCC1 62a_100000210312_100000211423 [0,1,0,1,0,0|2,0,0]=4 32052 B13R1.337 CC(C)CCSCC1CCCCC1 62a_100000211423_100000210312 [0,1,0,1,0,0|2,0,0]=4 32053 B13R1.337 CC(C)CCSCC1CCCCO1 62a_100000210312_100000211543 [0,1,0,1,0,0|1,0,0]=3 32054 B13R1.337 CC(C)CCSCC1CCCCO1 62a_100000211543_100000210312 [0,1,0,1,0,0|1,0,0]=3 32055 B13R1.337 CC(C)CNCCC1CCCCC1 2230a_100000210953_100012355289 [0,1,0,1,0,0|2,0,0]=4 32056 B13R1.337 CC(C)CNCCC1CCCCC1 2230a_100000738074_100000210760 [0,1,0,1,0,0|2,0,0]=4 32057 B13R1.337 CC(C)CNCCC1CCCCC1 270004a_100000210953_100011713444 [0,1,0,1,0,0|2,0,0]=4 32058 B13R1.337 CC(C)CNCCC1CCCCC1 270004a_100000738074_100000210432 [0,1,0,1,0,0|2,0,0]=4 32059 B13R1.337 CC(C)CNCCC1CCCCC1 34a_100000210953_100011209188 [0,1,0,1,0,0|2,0,0]=4 32060 B13R1.337 CC(C)CNCCC1CCCCC1 34a_100000738074_100000210624 [0,1,0,1,0,0|2,0,0]=4 32061 B13R1.337 CC(C)CNCCC1CCCCO1 2230a_100015183643_100000210760 [0,1,0,1,0,0|1,0,0]=3 32062 B13R1.337 CC(C)CNCCC1CCCCO1 270004a_100015183643_100000210432 [0,1,0,1,0,0|1,0,0]=3 32063 B13R1.337 CC(C)CNCCC1CCCCO1 34a_100015183643_100000210624 [0,1,0,1,0,0|1,0,0]=3 32064 B13R1.337 CC(C)CNCCC1OCCCO1 2230a_100000210953_100000764188 [0,1,0,1,0,0|2,0,0]=4 32065 B13R1.337 CC(C)CNCCC1OCCCO1 34a_100000210953_100000764188 [0,1,0,1,0,0|2,0,0]=4 32066 B13R1.337 CC(C)COCCC1CCCCC1 34a_100000210257_100011209188 [0,1,0,1,0,0|2,0,0]=4 32067 B13R1.337 CC(C)COCCC1CCCCC1 34a_100011217863_100000210624 [0,1,0,1,0,0|2,0,0]=4 32068 B13R1.337 CC(C)COCCC1CCCCC1 7a_100011217863_100000210760 [0,1,0,1,0,0|2,0,0]=4 32069 B13R1.337 CC(C)COCCC1CCCCN1 34a_100000211664_100000210624 [0,1,0,1,0,0|2,0,0]=4 32070 B13R1.337 CC(C)COCCC1OCCCO1 34a_100000210257_100000764188 [0,1,0,1,0,0|2,0,0]=4 32071 B13R1.337 CC(C)CSCCC1CCCCC1 62a_100000210624_100012355289 [0,1,0,1,0,0|2,0,0]=4 32072 B13R1.337 CC(C)CSCCC1CCCCC1 62a_100012355289_100000210760 [0,1,0,1,0,0|2,0,0]=4 32073 B13R1.337 CC(C)CSCCC1OCCCO1 62a_100000210624_100000764188 [0,1,0,1,0,0|2,0,0]=4 32074 B13R1.337 CC(C)CSCCC1OCCCO1 62a_100000764188_100000210760 [0,1,0,1,0,0|2,0,0]=4 32075 B13R1.337 CC(C)NCCCC1CCCCC1 2230a_100011211642_100000210206 [0,1,0,1,0,0|2,0,0]=4 32076 B13R1.337 CC(C)NCCCC1CCCCC1 2230a_100138425928_100011713725 [0,1,0,1,0,0|2,0,0]=4 32077 B13R1.337 CC(C)NCCCC1CCCCC1 34a_100011211642_100000210206 [0,1,0,1,0,0|2,0,0]=4 32078 B13R1.337 CC(C)NCCCC1CCCCC1 34a_100138425928_100011713725 [0,1,0,1,0,0|2,0,0]=4 32079 B13R1.337 CC(C)NCCOC1CCCCO1 2230a_100138425928_100000744793 [0,1,0,1,0,0|2,0,0]=4 32080 B13R1.337 CC(C)NCCOC1CCCCO1 34a_100138425928_100000744793 [0,1,0,1,0,0|2,0,0]=4 32081 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000198086_100000210206 [0,1,0,1,0,0|2,0,0]=4 32082 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000212225_100011713725 [0,1,0,1,0,0|2,0,0]=4 32083 B13R1.337 CC(C)OCCCC1CCCCC1 7a_100000198086_100000210206 [0,1,0,1,0,0|2,0,0]=4 32084 B13R1.337 CC(C)OCCCC1CCCCN1 34a_100011934581_100000210206 [0,1,0,1,0,0|2,0,0]=4 32085 B13R1.337 CC(C)OCCOC1CCCCO1 34a_100000033831_100000211751 [0,1,0,1,0,0|2,0,0]=4 32086 B13R1.337 CC(C)OCCOC1CCCCO1 34a_100000034223_100000210206 [0,1,0,1,0,0|2,0,0]=4 32087 B13R1.337 CC(C)OCCOC1CCCCO1 34a_100000212225_100000744793 [0,1,0,1,0,0|2,0,0]=4 32088 B13R1.337 CC(C)OCCOC1CCCCO1 7a_100000034223_100000210206 [0,1,0,1,0,0|2,0,0]=4 32089 B13R1.337 CC(C)OCNCC1CCCCO1 2230a_100000174945_100000709892 [0,1,0,1,0,0|2,0,0]=4 32090 B13R1.337 CC(C)OCNCC1CCCCO1 34a_100000174945_100000709892 [0,1,0,1,0,0|2,0,0]=4 32091 B13R1.337 CC(C)OCOCC1CCCCO1 34a_100000211370_100000709892 [0,1,0,1,0,0|2,0,0]=4 32092 B13R1.337 CC(C)OCSCC1CCCCO1 62a_100000211543_100000709892 [0,1,0,1,0,0|2,0,0]=4 32093 B13R1.337 CC(C)OCSCC1CCCCO1 62a_100000709892_100000211543 [0,1,0,1,0,0|2,0,0]=4 32094 B13R1.337 CC(C)SCCCC1CCCCC1 62a_100000210206_100011713725 [0,1,0,1,0,0|2,0,0]=4 32095 B13R1.337 CC(C)SCCCC1CCCCC1 62a_100011713725_100000210206 [0,1,0,1,0,0|2,0,0]=4 32096 B13R1.337 CC(C)SCCOC1CCCCO1 34a_100000033831_100000730970 [0,1,0,1,0,0|2,0,0]=4 32097 B13R1.337 CC(C)SCCOC1CCCCO1 62a_100000210206_100000744793 [0,1,0,1,0,0|2,0,0]=4 32098 B13R1.337 CC(C)SCCOC1CCCCO1 62a_100000744793_100000210206 [0,1,0,1,0,0|2,0,0]=4 32099 B13R1.337 CC(F)COCCC1CCCCC1 34a_100015925927_100011209188 [0,1,0,1,0,0|2,0,0]=4 32100 B13R1.337 CC(F)COCCC1OCCCO1 34a_100015925927_100000764188 [0,1,0,1,0,0|2,0,0]=4 32101 B13R1.337 CC(O)CCCNC1CCCCC1 2230a_100000182618_200000718107 [0,1,0,1,0,0|1,0,0]=3 32102 B13R1.337 CC(O)CCCNC1CCCCC1 34a_100000182618_200000718107 [0,1,0,1,0,0|1,0,0]=3 32103 B13R1.337 CC(O)CCCNC1CCCOC1 2230a_100000719290_200000718107 [0,1,0,1,0,0|2,0,0]=4 32104 B13R1.337 CC(O)CCCNC1CCCOC1 34a_100000719290_200000718107 [0,1,0,1,0,0|2,0,0]=4 32105 B13R1.337 CC(O)CCCNC1CCOCC1 2230a_100000741149_200000718107 [0,1,0,1,0,0|2,0,0]=4 32106 B13R1.337 CC(O)CCCNC1CCOCC1 34a_100000741149_200000718107 [0,1,0,1,0,0|2,0,0]=4 32107 B13R1.337 CC(O)CCCNC1CCSCC1 2230a_100000748639_200000718107 [0,1,0,1,0,0|2,0,0]=4 32108 B13R1.337 CC(O)CCCNC1CCSCC1 34a_100000748639_200000718107 [0,1,0,1,0,0|2,0,0]=4 32109 B13R1.337 CC(O)CCCOC1CCCCC1 34a_100000210231_200000718107 [0,1,0,1,0,0|1,0,0]=3 32110 B13R1.337 CC(O)CCCOC1CCCCC1 7a_100000210231_200000718107 [0,1,0,1,0,0|1,0,0]=3 32111 B13R1.337 CC(O)CCCOC1CCCCO1 34a_100000033831_200000718107 [0,1,0,1,0,0|1,0,0]=3 32112 B13R1.337 CC(O)CCCOC1CCCOC1 34a_100000754041_200000718107 [0,1,0,1,0,0|2,0,0]=4 32113 B13R1.337 CC(O)CCCOC1CCCSC1 7a_100015962668_200000718107 [0,1,0,1,0,0|2,0,0]=4 32114 B13R1.337 CC(O)CCCOC1CCOCC1 34a_100000744328_200000718107 [0,1,0,1,0,0|2,0,0]=4 32115 B13R1.337 CC(O)CCCOC1CCSCC1 34a_100000731022_200000718107 [0,1,0,1,0,0|2,0,0]=4 32116 B13R1.337 CC(O)CCCOC1CCSCC1 7a_100000731022_200000718107 [0,1,0,1,0,0|2,0,0]=4 32117 B13R1.337 CC(O)CCCSC1CCCCC1 62a_100000210327_200000718107 [0,1,0,1,0,0|1,0,0]=3 32118 B13R1.337 CC(O)CCCSC1CCCCC1 62a_200000718107_100000210327 [0,1,0,1,0,0|1,0,0]=3 32119 B13R1.337 CC(O)CCCSC1CCCOC1 62a_200000718107_100000693364 [0,1,0,1,0,0|2,0,0]=4 32120 B13R1.337 CC(O)CCCSC1CCOCC1 62a_200000718107_100011324220 [0,1,0,1,0,0|2,0,0]=4 32121 B13R1.337 CC(O)CCCSC1CCSCC1 62a_200000718107_100000069128 [0,1,0,1,0,0|2,0,0]=4 32122 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_100000210473_100012276601 [0,1,0,1,0,0|1,0,0]=3 32123 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_200000755665_100000211423 [0,1,0,1,0,0|1,0,0]=3 32124 B13R1.337 CC(O)CCNCC1CCCCC1 269862a_200000755665_100000211278 [0,1,0,1,0,0|1,0,0]=3 32125 B13R1.337 CC(O)CCNCC1CCCCC1 34a_100000210473_100012276601 [0,1,0,1,0,0|1,0,0]=3 32126 B13R1.337 CC(O)CCNCC1CCCCO1 2230a_100000174945_100012276601 [0,1,0,1,0,0|1,0,0]=3 32127 B13R1.337 CC(O)CCNCC1CCCCO1 2230a_200000755665_100000211543 [0,1,0,1,0,0|1,0,0]=3 32128 B13R1.337 CC(O)CCNCC1CCCCO1 34a_100000174945_100012276601 [0,1,0,1,0,0|1,0,0]=3 32129 B13R1.337 CC(O)CCNCC1CCCOC1 2230a_100000720124_100012276601 [0,1,0,1,0,0|2,0,0]=4 32130 B13R1.337 CC(O)CCNCC1CCCOC1 2230a_200000755665_100000741521 [0,1,0,1,0,0|2,0,0]=4 32131 B13R1.337 CC(O)CCNCC1CCCOC1 34a_100000720124_100012276601 [0,1,0,1,0,0|2,0,0]=4 32132 B13R1.337 CC(O)CCNCC1CCOCC1 2230a_100000746373_100012276601 [0,1,0,1,0,0|2,0,0]=4 32133 B13R1.337 CC(O)CCNCC1CCOCC1 2230a_200000755665_100000754603 [0,1,0,1,0,0|2,0,0]=4 32134 B13R1.337 CC(O)CCNCC1CCOCC1 269862a_200000755665_100000749017 [0,1,0,1,0,0|2,0,0]=4 32135 B13R1.337 CC(O)CCNCC1CCOCC1 34a_100000746373_100012276601 [0,1,0,1,0,0|2,0,0]=4 32136 B13R1.337 CC(O)CCNCC1CCSCC1 2230a_100015188806_100012276601 [0,1,0,1,0,0|2,0,0]=4 32137 B13R1.337 CC(O)CCNCC1CCSCC1 269862a_200000755665_100000067145 [0,1,0,1,0,0|2,0,0]=4 32138 B13R1.337 CC(O)CCNCC1CCSCC1 270004a_200000755665_100000067145 [0,1,0,1,0,0|2,0,0]=4 32139 B13R1.337 CC(O)CCNCC1CCSCC1 34a_100015188806_100012276601 [0,1,0,1,0,0|2,0,0]=4 32140 B13R1.337 CC(O)CCNC[C@H]1COCCO1 2230a_100010981119_100012276601 [0,1,0,1,0,0|2,0,0]=4 32141 B13R1.337 CC(O)CCNC[C@H]1COCCO1 34a_100010981119_100012276601 [0,1,0,1,0,0|2,0,0]=4 32142 B13R1.337 CC(O)CCOCC1CCCCC1 34a_100000212181_100012276601 [0,1,0,1,0,0|1,0,0]=3 32143 B13R1.337 CC(O)CCOCC1CCCCC1 7a_100000212181_100012276601 [0,1,0,1,0,0|1,0,0]=3 32144 B13R1.337 CC(O)CCOCC1CCCCN1 34a_100000210821_100012276601 [0,1,0,1,0,0|2,0,0]=4 32145 B13R1.337 CC(O)CCOCC1CCCCO1 34a_100000211370_100012276601 [0,1,0,1,0,0|1,0,0]=3 32146 B13R1.337 CC(O)CCOCC1CCCCO1 7a_100000211370_100012276601 [0,1,0,1,0,0|1,0,0]=3 32147 B13R1.337 CC(O)CCOCC1CCCNC1 34a_100000211344_100012276601 [0,1,0,1,0,0|2,0,0]=4 32148 B13R1.337 CC(O)CCOCC1CCCOC1 34a_100000741520_100012276601 [0,1,0,1,0,0|2,0,0]=4 32149 B13R1.337 CC(O)CCOCC1CCNCC1 34a_100000738675_100012276601 [0,1,0,1,0,0|2,0,0]=4 32150 B13R1.337 CC(O)CCOCC1CCOCC1 34a_100000749013_100012276601 [0,1,0,1,0,0|2,0,0]=4 32151 B13R1.337 CC(O)CCOCC1CCSCC1 34a_100000070558_100012276601 [0,1,0,1,0,0|2,0,0]=4 32152 B13R1.337 CC(O)CCOCC1CCSCC1 7a_100000070558_100012276601 [0,1,0,1,0,0|2,0,0]=4 32153 B13R1.337 CC(O)CCOC[C@@H]1CNCCO1 34a_100015189573_100012276601 [0,1,0,1,0,0|2,0,0]=4 32154 B13R1.337 CC(O)CCOC[C@H]1COCCO1 34a_100009875890_100012276601 [0,1,0,1,0,0|2,0,0]=4 32155 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100000211423_100012276601 [0,1,0,1,0,0|1,0,0]=3 32156 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100012276601_100000211423 [0,1,0,1,0,0|1,0,0]=3 32157 B13R1.337 CC(O)CCSCC1CCCCO1 62a_100000211543_100012276601 [0,1,0,1,0,0|1,0,0]=3 32158 B13R1.337 CC(O)CCSCC1CCCCO1 62a_100012276601_100000211543 [0,1,0,1,0,0|1,0,0]=3 32159 B13R1.337 CC(O)CCSCC1CCCOC1 62a_100000741521_100012276601 [0,1,0,1,0,0|2,0,0]=4 32160 B13R1.337 CC(O)CCSCC1CCCOC1 62a_100012276601_100000741521 [0,1,0,1,0,0|2,0,0]=4 32161 B13R1.337 CC(O)CCSCC1CCOCC1 62a_100000754603_100012276601 [0,1,0,1,0,0|2,0,0]=4 32162 B13R1.337 CC(O)CCSCC1CCOCC1 62a_100012276601_100000749018 [0,1,0,1,0,0|2,0,0]=4 32163 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000210904_100012355289 [0,1,0,1,0,0|1,0,0]=3 32164 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000738074_100011218427 [0,1,0,1,0,0|1,0,0]=3 32165 B13R1.337 CC(O)CNCCC1CCCCC1 270004a_100000210904_100011713444 [0,1,0,1,0,0|1,0,0]=3 32166 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000210904_100011209188 [0,1,0,1,0,0|1,0,0]=3 32167 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000738074_100011218427 [0,1,0,1,0,0|1,0,0]=3 32168 B13R1.337 CC(O)CNCCC1CCCCO1 2230a_100015183643_100011218427 [0,1,0,1,0,0|1,0,0]=3 32169 B13R1.337 CC(O)CNCCC1CCCCO1 34a_100015183643_100011218427 [0,1,0,1,0,0|1,0,0]=3 32170 B13R1.337 CC(O)CNCCC1CCOCC1 2230a_100000210904_100011934994 [0,1,0,1,0,0|2,0,0]=4 32171 B13R1.337 CC(O)CNCCC1CCOCC1 2230a_100000755988_100011218427 [0,1,0,1,0,0|2,0,0]=4 32172 B13R1.337 CC(O)CNCCC1CCOCC1 34a_100000210904_100011934994 [0,1,0,1,0,0|2,0,0]=4 32173 B13R1.337 CC(O)CNCCC1CCOCC1 34a_100000755988_100011218427 [0,1,0,1,0,0|2,0,0]=4 32174 B13R1.337 CC(O)CNCCC1OCCCO1 2230a_100000210904_100000764188 [0,1,0,1,0,0|2,0,0]=4 32175 B13R1.337 CC(O)CNCCC1OCCCO1 34a_100000210904_100000764188 [0,1,0,1,0,0|2,0,0]=4 32176 B13R1.337 CC(O)CNCCN1CCCCC1 2230a_100000210904_100000739454 [0,1,0,1,0,0|2,0,0]=4 32177 B13R1.337 CC(O)CNCCN1CCCCC1 34a_100000210904_100000739454 [0,1,0,1,0,0|2,0,0]=4 32178 B13R1.337 CC(O)CNCOC1CCCCC1 2230a_100000210904_100011935260 [0,1,0,1,0,0|2,0,0]=4 32179 B13R1.337 CC(O)CNCOC1CCCCC1 34a_100000210904_100011935260 [0,1,0,1,0,0|2,0,0]=4 32180 B13R1.337 CC(O)COCCC1CCCCC1 34a_100011217863_100011218427 [0,1,0,1,0,0|1,0,0]=3 32181 B13R1.337 CC(O)COCCC1CCCCC1 7a_100011217863_100011218427 [0,1,0,1,0,0|1,0,0]=3 32182 B13R1.337 CC(O)COCCC1CCCCN1 34a_100000211664_100011218427 [0,1,0,1,0,0|2,0,0]=4 32183 B13R1.337 CC(O)COCCC1CCCNC1 34a_100000752241_100011218427 [0,1,0,1,0,0|2,0,0]=4 32184 B13R1.337 CC(O)COCCC1CCNCC1 34a_100015190746_100011218427 [0,1,0,1,0,0|2,0,0]=4 32185 B13R1.337 CC(O)COCCC1CCOCC1 34a_100011933979_100011218427 [0,1,0,1,0,0|2,0,0]=4 32186 B13R1.337 CC(O)COCCC1CCOCC1 7a_100011933979_100011218427 [0,1,0,1,0,0|2,0,0]=4 32187 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100011218427_100012355289 [0,1,0,1,0,0|1,0,0]=3 32188 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100012355289_100011218427 [0,1,0,1,0,0|1,0,0]=3 32189 B13R1.337 CC(O)CSCCC1CCOCC1 62a_100011218427_100011934994 [0,1,0,1,0,0|2,0,0]=4 32190 B13R1.337 CC(O)CSCCC1CCOCC1 62a_100011934994_100011218427 [0,1,0,1,0,0|2,0,0]=4 32191 B13R1.337 CC(O)CSCCC1OCCCO1 62a_100000764188_100011218427 [0,1,0,1,0,0|2,0,0]=4 32192 B13R1.337 CC(O)CSCCC1OCCCO1 62a_100011218427_100000764188 [0,1,0,1,0,0|2,0,0]=4 32193 B13R1.337 CC(O)CSCCN1CCCCC1 62a_100000739454_100011218427 [0,1,0,1,0,0|2,0,0]=4 32194 B13R1.337 CC(O)CSCCN1CCCCC1 62a_100011218427_100000739454 [0,1,0,1,0,0|2,0,0]=4 32195 B13R1.337 CC(O)CSCOC1CCCCC1 62a_100011218427_100011935260 [0,1,0,1,0,0|2,0,0]=4 32196 B13R1.337 CC(O)CSCOC1CCCCC1 62a_100011935260_100011218427 [0,1,0,1,0,0|2,0,0]=4 32197 B13R1.337 CN(C)CCCOC1CCCCO1 2230a_100102631434_100000700653 [0,1,0,1,0,0|2,0,0]=4 32198 B13R1.337 CN(C)CCCOC1CCCCO1 269982a_100102631434_100000700653 [0,1,0,1,0,0|2,0,0]=4 32199 B13R1.337 CN(C)CCOCC1CCCCO1 7a_100000211370_100000755713 [0,1,0,1,0,0|2,0,0]=4 32200 B13R1.337 CN(C)CCSCC1CCCCO1 62a_100000211543_100000755713 [0,1,0,1,0,0|2,0,0]=4 32201 B13R1.337 C[C@@H](Cl)COCCC1CCCCC1 34a_100016084084_100011209188 [0,1,0,1,0,0|2,0,0]=4 32202 B13R1.337 C[C@@H](Cl)COCCC1OCCCO1 34a_100016084084_100000764188 [0,1,0,1,0,0|2,0,0]=4 32203 B13R1.337 C[C@@H](N)CCOCC1CCCCC1 34a_100000706166_100000211423 [0,1,0,1,0,0|2,0,0]=4 32204 B13R1.337 C[C@@H](N)CCOCC1CCCCO1 34a_100000706166_100000211543 [0,1,0,1,0,0|1,0,0]=3 32205 B13R1.337 C[C@@H](N)COCCC1CCCCC1 34a_100000737577_100011209188 [0,1,0,1,0,0|2,0,0]=4 32206 B13R1.337 C[C@@H](N)COCCC1OCCCO1 34a_100000737577_100000764188 [0,1,0,1,0,0|2,0,0]=4 32207 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 2230a_100000738074_100009817552 [0,1,0,1,0,0|1,0,0]=3 32208 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 34a_100000738074_100009817552 [0,1,0,1,0,0|1,0,0]=3 32209 B13R1.337 C[C@@H](O)CNCCC1CCCCO1 2230a_100015183643_100009817552 [0,1,0,1,0,0|1,0,0]=3 32210 B13R1.337 C[C@@H](O)CNCCC1CCCCO1 34a_100015183643_100009817552 [0,1,0,1,0,0|1,0,0]=3 32211 B13R1.337 C[C@@H](O)CNCCC1CCOCC1 2230a_100000755988_100009817552 [0,1,0,1,0,0|2,0,0]=4 32212 B13R1.337 C[C@@H](O)CNCCC1CCOCC1 34a_100000755988_100009817552 [0,1,0,1,0,0|2,0,0]=4 32213 B13R1.337 C[C@@H](O)COCCC1CCCCC1 34a_100011217863_100009817552 [0,1,0,1,0,0|1,0,0]=3 32214 B13R1.337 C[C@@H](O)COCCC1CCCCC1 7a_100011217863_100009817552 [0,1,0,1,0,0|1,0,0]=3 32215 B13R1.337 C[C@@H](O)COCCC1CCCCN1 34a_100000211664_100009817552 [0,1,0,1,0,0|2,0,0]=4 32216 B13R1.337 C[C@@H](O)COCCC1CCCNC1 34a_100000752241_100009817552 [0,1,0,1,0,0|2,0,0]=4 32217 B13R1.337 C[C@@H](O)COCCC1CCNCC1 34a_100015190746_100009817552 [0,1,0,1,0,0|2,0,0]=4 32218 B13R1.337 C[C@@H](O)COCCC1CCOCC1 34a_100011933979_100009817552 [0,1,0,1,0,0|2,0,0]=4 32219 B13R1.337 C[C@@H](O)COCCC1CCOCC1 7a_100011933979_100009817552 [0,1,0,1,0,0|2,0,0]=4 32220 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100009817552_100012355289 [0,1,0,1,0,0|1,0,0]=3 32221 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100012355289_100009817552 [0,1,0,1,0,0|1,0,0]=3 32222 B13R1.337 C[C@@H](O)CSCCC1CCOCC1 62a_100009817552_100011934994 [0,1,0,1,0,0|2,0,0]=4 32223 B13R1.337 C[C@@H](O)CSCCC1CCOCC1 62a_100011934994_100009817552 [0,1,0,1,0,0|2,0,0]=4 32224 B13R1.337 C[C@@H](O)CSCCC1OCCCO1 62a_100000764188_100009817552 [0,1,0,1,0,0|2,0,0]=4 32225 B13R1.337 C[C@@H](O)CSCCC1OCCCO1 62a_100009817552_100000764188 [0,1,0,1,0,0|2,0,0]=4 32226 B13R1.337 C[C@@H](O)CSCCN1CCCCC1 62a_100000739454_100009817552 [0,1,0,1,0,0|2,0,0]=4 32227 B13R1.337 C[C@@H](O)CSCCN1CCCCC1 62a_100009817552_100000739454 [0,1,0,1,0,0|2,0,0]=4 32228 B13R1.337 C[C@@H](O)CSCOC1CCCCC1 62a_100009817552_100011935260 [0,1,0,1,0,0|2,0,0]=4 32229 B13R1.337 C[C@@H](O)CSCOC1CCCCC1 62a_100011935260_100009817552 [0,1,0,1,0,0|2,0,0]=4 32230 B13R1.337 FC(F)CCOCC1CCCCC1 34a_100103093639_100000211423 [0,1,0,1,0,0|2,0,0]=4 32231 B13R1.337 FC(F)CCOCC1CCCCO1 34a_100103093639_100000211543 [0,1,0,1,0,0|2,0,0]=4 32232 B13R1.337 FC(F)CNCCC1CCCCC1 2230a_100000738074_100011934356 [0,1,0,1,0,0|2,0,0]=4 32233 B13R1.337 FC(F)CNCCC1CCCCC1 270004a_100000765723_100011713444 [0,1,0,1,0,0|2,0,0]=4 32234 B13R1.337 FC(F)CNCCC1CCCCC1 34a_100000738074_100011934356 [0,1,0,1,0,0|2,0,0]=4 32235 B13R1.337 FC(F)CNCCC1CCCCC1 34a_100000765723_100011209188 [0,1,0,1,0,0|2,0,0]=4 32236 B13R1.337 FC(F)CNCCC1CCCCO1 2230a_100015183643_100011934356 [0,1,0,1,0,0|2,0,0]=4 32237 B13R1.337 FC(F)CNCCC1CCCCO1 34a_100015183643_100011934356 [0,1,0,1,0,0|2,0,0]=4 32238 B13R1.337 FC(F)COCCC1CCCCC1 34a_100000743014_100011209188 [0,1,0,1,0,0|2,0,0]=4 32239 B13R1.337 FC(F)COCCC1CCCCC1 34a_100011217863_100011934356 [0,1,0,1,0,0|2,0,0]=4 32240 B13R1.337 FC(F)COCCC1CCCCC1 7a_100011217863_100011934356 [0,1,0,1,0,0|2,0,0]=4 32241 B13R1.337 FC(F)CSCCC1CCCCC1 62a_100011934356_100012355289 [0,1,0,1,0,0|2,0,0]=4 32242 B13R1.337 FC(F)CSCCC1CCCCC1 62a_100012355289_100011934356 [0,1,0,1,0,0|2,0,0]=4 32243 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|1,0,1]=4 32244 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,1,0,1,0,0|0,0,2]=4 32245 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [0,1,0,1,0,0|1,0,1]=4 32246 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [0,1,0,1,0,0|1,0,1]=4 32247 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [0,1,0,1,0,0|1,0,1]=4 32248 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [0,1,0,1,0,0|1,0,1]=4 32249 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [0,1,0,1,0,0|1,0,1]=4 32250 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [0,1,0,1,0,0|1,0,1]=4 32251 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [0,1,0,1,0,0|1,0,1]=4 32252 B13R1.343 CC(Br)CCOCCC1CCCC1 34a_100009893172_100000760354 [0,1,0,1,0,0|2,0,0]=4 32253 B13R1.343 CC(Br)CCOCCC1OCCO1 34a_100009893172_100000740749 [0,1,0,1,0,0|2,0,0]=4 32254 B13R1.343 CC(Br)COCCCC1CCCC1 34a_100012180447_100011713738 [0,1,0,1,0,0|2,0,0]=4 32255 B13R1.343 CC(Br)COCCCC1OCCO1 34a_100012180447_100009861162 [0,1,0,1,0,0|2,0,0]=4 32256 B13R1.343 CC(C)CCCCCN1CCCC1 2230a_100000188435_100000210682 [0,1,0,1,0,0|2,0,0]=4 32257 B13R1.343 CC(C)CCCCCN1CCCC1 269982a_100000188435_100000210682 [0,1,0,1,0,0|2,0,0]=4 32258 B13R1.343 CC(C)CCCCNC1CCCC1 2230a_100000211070_100011216152 [0,1,0,1,0,0|2,0,0]=4 32259 B13R1.343 CC(C)CCCCNC1CCCC1 34a_100000211070_100011216152 [0,1,0,1,0,0|2,0,0]=4 32260 B13R1.343 CC(C)CCCCOC1CCCC1 34a_100000210269_100011216152 [0,1,0,1,0,0|2,0,0]=4 32261 B13R1.343 CC(C)CCCCOC1CCCC1 34a_100011214890_100000179811 [0,1,0,1,0,0|2,0,0]=4 32262 B13R1.343 CC(C)CCCCOC1CCCC1 7a_100000210269_100011216152 [0,1,0,1,0,0|2,0,0]=4 32263 B13R1.343 CC(C)CCCCOC1CCCC1 7a_100011214890_100000179811 [0,1,0,1,0,0|2,0,0]=4 32264 B13R1.343 CC(C)CCCCOC1CCCO1 34a_100000085407_100011216152 [0,1,0,1,0,0|1,0,0]=3 32265 B13R1.343 CC(C)CCCCSC1CCCC1 62a_100011216152_100000179811 [0,1,0,1,0,0|2,0,0]=4 32266 B13R1.343 CC(C)CCCCSC1CCCC1 62a_100011217020_100011216152 [0,1,0,1,0,0|2,0,0]=4 32267 B13R1.343 CC(C)CCCNCC1CCCC1 2230a_100000737975_100011214892 [0,1,0,1,0,0|2,0,0]=4 32268 B13R1.343 CC(C)CCCNCC1CCCC1 2230a_200000737386_100000740388 [0,1,0,1,0,0|2,0,0]=4 32269 B13R1.343 CC(C)CCCNCC1CCCC1 269862a_200000737386_100000746403 [0,1,0,1,0,0|2,0,0]=4 32270 B13R1.343 CC(C)CCCNCC1CCCC1 34a_100000737975_100011214892 [0,1,0,1,0,0|2,0,0]=4 32271 B13R1.343 CC(C)CCCNCC1CCCC1 34a_200000737386_100000740388 [0,1,0,1,0,0|2,0,0]=4 32272 B13R1.343 CC(C)CCCNCC1CCCO1 2230a_200000737386_100000203698 [0,1,0,1,0,0|1,0,0]=3 32273 B13R1.343 CC(C)CCCNCC1OCCO1 2230a_100000036311_100011214892 [0,1,0,1,0,0|2,0,0]=4 32274 B13R1.343 CC(C)CCCNCC1OCCO1 2230a_200000737386_100000755774 [0,1,0,1,0,0|2,0,0]=4 32275 B13R1.343 CC(C)CCCNCC1OCCO1 34a_100000036311_100011214892 [0,1,0,1,0,0|2,0,0]=4 32276 B13R1.343 CC(C)CCCNCC1OCCO1 34a_200000737386_100000755774 [0,1,0,1,0,0|2,0,0]=4 32277 B13R1.343 CC(C)CCCNC[C@@H]1CCCO1 2230a_100020590478_100011214892 [0,1,0,1,0,0|1,0,0]=3 32278 B13R1.343 CC(C)CCCNC[C@@H]1CCCO1 34a_100020590478_100011214892 [0,1,0,1,0,0|1,0,0]=3 32279 B13R1.343 CC(C)CCCOCC1CCCC1 34a_100000210774_100000740388 [0,1,0,1,0,0|2,0,0]=4 32280 B13R1.343 CC(C)CCCOCC1CCCC1 34a_100000742336_100011214892 [0,1,0,1,0,0|2,0,0]=4 32281 B13R1.343 CC(C)CCCOCC1CCCC1 7a_100000210774_100000740388 [0,1,0,1,0,0|2,0,0]=4 32282 B13R1.343 CC(C)CCCOCC1CCCC1 7a_100000742336_100011214892 [0,1,0,1,0,0|2,0,0]=4 32283 B13R1.343 CC(C)CCCOCC1CCCO1 34a_100000210270_100011214892 [0,1,0,1,0,0|1,0,0]=3 32284 B13R1.343 CC(C)CCCOCC1CCCO1 7a_100000210270_100011214892 [0,1,0,1,0,0|1,0,0]=3 32285 B13R1.343 CC(C)CCCOCC1CCCO1 7a_100000210774_100000203698 [0,1,0,1,0,0|1,0,0]=3 32286 B13R1.343 CC(C)CCCOCC1COCO1 34a_100011216627_100011214892 [0,1,0,1,0,0|2,0,0]=4 32287 B13R1.343 CC(C)CCCOCC1OCCO1 34a_100000087154_100011214892 [0,1,0,1,0,0|2,0,0]=4 32288 B13R1.343 CC(C)CCCOCC1OCCO1 34a_100000210774_100000755774 [0,1,0,1,0,0|2,0,0]=4 32289 B13R1.343 CC(C)CCCOCC1OCCO1 7a_100000210774_100000755774 [0,1,0,1,0,0|2,0,0]=4 32290 B13R1.343 CC(C)CCCOC[C@H]1CCCN1 34a_100000745186_100011214892 [0,1,0,1,0,0|2,0,0]=4 32291 B13R1.343 CC(C)CCCSCC1CCCC1 62a_100000740388_100011214892 [0,1,0,1,0,0|2,0,0]=4 32292 B13R1.343 CC(C)CCCSCC1CCCC1 62a_100011214892_100000740388 [0,1,0,1,0,0|2,0,0]=4 32293 B13R1.343 CC(C)CCCSCC1CCCO1 62a_100000203698_100011214892 [0,1,0,1,0,0|1,0,0]=3 32294 B13R1.343 CC(C)CCCSCC1CCCO1 62a_100011214892_100000203698 [0,1,0,1,0,0|1,0,0]=3 32295 B13R1.343 CC(C)CCCSCC1OCCO1 62a_100000755774_100011214892 [0,1,0,1,0,0|2,0,0]=4 32296 B13R1.343 CC(C)CCCSCC1OCCO1 62a_100011214892_100000755774 [0,1,0,1,0,0|2,0,0]=4 32297 B13R1.343 CC(C)CCNCCC1CCCC1 2230a_100000739158_100000210312 [0,1,0,1,0,0|2,0,0]=4 32298 B13R1.343 CC(C)CCNCCC1CCCC1 269862a_100000739158_100000185833 [0,1,0,1,0,0|2,0,0]=4 32299 B13R1.343 CC(C)CCNCCC1CCCC1 34a_100000739158_100000210312 [0,1,0,1,0,0|2,0,0]=4 32300 B13R1.343 CC(C)CCNCCC1OCCO1 2230a_100000034215_100000210312 [0,1,0,1,0,0|2,0,0]=4 32301 B13R1.343 CC(C)CCNCCC1OCCO1 34a_100000034215_100000210312 [0,1,0,1,0,0|2,0,0]=4 32302 B13R1.343 CC(C)CCOCCC1CCCC1 34a_100000210254_100000760354 [0,1,0,1,0,0|2,0,0]=4 32303 B13R1.343 CC(C)CCOCCC1CCCC1 34a_100000749090_100000210312 [0,1,0,1,0,0|2,0,0]=4 32304 B13R1.343 CC(C)CCOCCC1CCCC1 7a_100000210254_100000760354 [0,1,0,1,0,0|2,0,0]=4 32305 B13R1.343 CC(C)CCOCCC1CCCC1 7a_100000749090_100000210626 [0,1,0,1,0,0|2,0,0]=4 32306 B13R1.343 CC(C)CCOCCC1OCCO1 34a_100000210254_100000740749 [0,1,0,1,0,0|2,0,0]=4 32307 B13R1.343 CC(C)CCOCCC1OCCO1 7a_100000210254_100000740749 [0,1,0,1,0,0|2,0,0]=4 32308 B13R1.343 CC(C)CCSCCC1CCCC1 62a_100000210312_100000760354 [0,1,0,1,0,0|2,0,0]=4 32309 B13R1.343 CC(C)CCSCCC1CCCC1 62a_100000760354_100000210312 [0,1,0,1,0,0|2,0,0]=4 32310 B13R1.343 CC(C)CCSCCC1OCCO1 62a_100000210312_100000740749 [0,1,0,1,0,0|2,0,0]=4 32311 B13R1.343 CC(C)CNCCCC1CCCC1 2230a_100000210953_100011713738 [0,1,0,1,0,0|2,0,0]=4 32312 B13R1.343 CC(C)CNCCCC1CCCC1 2230a_100000736752_100000210760 [0,1,0,1,0,0|2,0,0]=4 32313 B13R1.343 CC(C)CNCCCC1CCCC1 270004a_100000736752_100000210432 [0,1,0,1,0,0|2,0,0]=4 32314 B13R1.343 CC(C)CNCCCC1CCCC1 34a_100000210953_100011713738 [0,1,0,1,0,0|2,0,0]=4 32315 B13R1.343 CC(C)CNCCCC1CCCC1 34a_100000736752_100000210624 [0,1,0,1,0,0|2,0,0]=4 32316 B13R1.343 CC(C)CNCCCC1OCCO1 2230a_100000210953_100000042513 [0,1,0,1,0,0|2,0,0]=4 32317 B13R1.343 CC(C)CNCCCC1OCCO1 34a_100000210953_100009861162 [0,1,0,1,0,0|2,0,0]=4 32318 B13R1.343 CC(C)COCCCC1CCCC1 34a_100000210257_100011713738 [0,1,0,1,0,0|2,0,0]=4 32319 B13R1.343 CC(C)COCCCC1CCCC1 34a_100011215328_100000210624 [0,1,0,1,0,0|2,0,0]=4 32320 B13R1.343 CC(C)COCCCC1CCCC1 7a_100011215328_100000210760 [0,1,0,1,0,0|2,0,0]=4 32321 B13R1.343 CC(C)COCCCC1OCCO1 34a_100000210257_100009861162 [0,1,0,1,0,0|2,0,0]=4 32322 B13R1.343 CC(C)COCCCC1OCCO1 34a_100009871617_100000210624 [0,1,0,1,0,0|2,0,0]=4 32323 B13R1.343 CC(C)COCCCC1OCCO1 7a_100009871617_100000210760 [0,1,0,1,0,0|2,0,0]=4 32324 B13R1.343 CC(C)CSCCCC1CCCC1 62a_100000210624_100011713738 [0,1,0,1,0,0|2,0,0]=4 32325 B13R1.343 CC(C)CSCCCC1CCCC1 62a_100011713738_100000210760 [0,1,0,1,0,0|2,0,0]=4 32326 B13R1.343 CC(C)CSCCCC1OCCO1 62a_100000210624_100000042513 [0,1,0,1,0,0|2,0,0]=4 32327 B13R1.343 CC(C)NCCCCC1OCCO1 2230a_100138425928_100000034956 [0,1,0,1,0,0|2,0,0]=4 32328 B13R1.343 CC(C)NCCCCC1OCCO1 34a_100138425928_200009813554 [0,1,0,1,0,0|2,0,0]=4 32329 B13R1.343 CC(C)OCCCCC1OCCO1 34a_100000212225_200009813554 [0,1,0,1,0,0|2,0,0]=4 32330 B13R1.343 CC(C)OCCNCC1CCCO1 2230a_100000701111_100000203698 [0,1,0,1,0,0|2,0,0]=4 32331 B13R1.343 CC(C)OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211751 [0,1,0,1,0,0|2,0,0]=4 32332 B13R1.343 CC(C)OCCNC[C@@H]1CCCO1 34a_100020590478_100000211751 [0,1,0,1,0,0|2,0,0]=4 32333 B13R1.343 CC(C)OCCOCC1CCCO1 34a_100000210270_100000211751 [0,1,0,1,0,0|2,0,0]=4 32334 B13R1.343 CC(C)OCCOCC1CCCO1 7a_100000210270_100000211751 [0,1,0,1,0,0|2,0,0]=4 32335 B13R1.343 CC(C)OCCOCC1CCCO1 7a_100000211219_100000203698 [0,1,0,1,0,0|2,0,0]=4 32336 B13R1.343 CC(C)OCCSCC1CCCO1 62a_100000203698_100000211751 [0,1,0,1,0,0|2,0,0]=4 32337 B13R1.343 CC(C)OCCSCC1CCCO1 62a_100000211751_100000203698 [0,1,0,1,0,0|2,0,0]=4 32338 B13R1.343 CC(C)SCCCCC1OCCO1 62a_100000210206_100000034956 [0,1,0,1,0,0|2,0,0]=4 32339 B13R1.343 CC(C)SCCNCC1CCCO1 2230a_100000731138_100000203698 [0,1,0,1,0,0|2,0,0]=4 32340 B13R1.343 CC(C)SCCNC[C@@H]1CCCO1 2230a_100020590478_100000730970 [0,1,0,1,0,0|2,0,0]=4 32341 B13R1.343 CC(C)SCCNC[C@@H]1CCCO1 34a_100020590478_100000730970 [0,1,0,1,0,0|2,0,0]=4 32342 B13R1.343 CC(C)SCCOCC1CCCO1 34a_100000210270_100000730970 [0,1,0,1,0,0|2,0,0]=4 32343 B13R1.343 CC(C)SCCOCC1CCCO1 7a_100000210270_100000730970 [0,1,0,1,0,0|2,0,0]=4 32344 B13R1.343 CC(C)SCCOCC1CCCO1 7a_200011212901_100000203698 [0,1,0,1,0,0|2,0,0]=4 32345 B13R1.343 CC(C)SCCSCC1CCCO1 62a_100000203698_100000730970 [0,1,0,1,0,0|2,0,0]=4 32346 B13R1.343 CC(C)SCCSCC1CCCO1 62a_100000730970_100000203698 [0,1,0,1,0,0|2,0,0]=4 32347 B13R1.343 CC(F)COCCCC1CCCC1 34a_100015925927_100011713738 [0,1,0,1,0,0|2,0,0]=4 32348 B13R1.343 CC(F)COCCCC1OCCO1 34a_100015925927_100009861162 [0,1,0,1,0,0|2,0,0]=4 32349 B13R1.343 CC(O)CCCNCC1CCCC1 2230a_100000737975_200000718107 [0,1,0,1,0,0|1,0,0]=3 32350 B13R1.343 CC(O)CCCNCC1CCCC1 34a_100000737975_200000718107 [0,1,0,1,0,0|1,0,0]=3 32351 B13R1.343 CC(O)CCCNCC1CCOC1 2230a_100000737293_200000718107 [0,1,0,1,0,0|2,0,0]=4 32352 B13R1.343 CC(O)CCCNCC1CCOC1 34a_100000737293_200000718107 [0,1,0,1,0,0|2,0,0]=4 32353 B13R1.343 CC(O)CCCNCC1OCCO1 2230a_100000036311_200000718107 [0,1,0,1,0,0|2,0,0]=4 32354 B13R1.343 CC(O)CCCNCC1OCCO1 34a_100000036311_200000718107 [0,1,0,1,0,0|2,0,0]=4 32355 B13R1.343 CC(O)CCCNC[C@@H]1CCCO1 2230a_100020590478_200000718107 [0,1,0,1,0,0|1,0,0]=3 32356 B13R1.343 CC(O)CCCNC[C@@H]1CCCO1 34a_100020590478_200000718107 [0,1,0,1,0,0|1,0,0]=3 32357 B13R1.343 CC(O)CCCOCC1CCCC1 34a_100000742336_200000718107 [0,1,0,1,0,0|1,0,0]=3 32358 B13R1.343 CC(O)CCCOCC1CCCC1 7a_100000742336_200000718107 [0,1,0,1,0,0|1,0,0]=3 32359 B13R1.343 CC(O)CCCOCC1CCCO1 34a_100000210270_200000718107 [0,1,0,1,0,0|1,0,0]=3 32360 B13R1.343 CC(O)CCCOCC1CCCO1 7a_100000210270_200000718107 [0,1,0,1,0,0|1,0,0]=3 32361 B13R1.343 CC(O)CCCOCC1CCNC1 34a_100000748654_200000718107 [0,1,0,1,0,0|2,0,0]=4 32362 B13R1.343 CC(O)CCCOCC1CCOC1 34a_100000740260_200000718107 [0,1,0,1,0,0|2,0,0]=4 32363 B13R1.343 CC(O)CCCOCC1COCO1 34a_100011216627_200000718107 [0,1,0,1,0,0|2,0,0]=4 32364 B13R1.343 CC(O)CCCOCC1OCCO1 34a_100000087154_200000718107 [0,1,0,1,0,0|2,0,0]=4 32365 B13R1.343 CC(O)CCCOC[C@H]1CCCN1 34a_100000745186_200000718107 [0,1,0,1,0,0|2,0,0]=4 32366 B13R1.343 CC(O)CCCSCC1CCCC1 62a_100000740388_200000718107 [0,1,0,1,0,0|1,0,0]=3 32367 B13R1.343 CC(O)CCCSCC1CCCC1 62a_200000718107_100000740388 [0,1,0,1,0,0|1,0,0]=3 32368 B13R1.343 CC(O)CCCSCC1CCCO1 62a_100000203698_200000718107 [0,1,0,1,0,0|1,0,0]=3 32369 B13R1.343 CC(O)CCCSCC1CCCO1 62a_200000718107_100000203698 [0,1,0,1,0,0|1,0,0]=3 32370 B13R1.343 CC(O)CCCSCC1CCOC1 62a_100000702531_200000718107 [0,1,0,1,0,0|2,0,0]=4 32371 B13R1.343 CC(O)CCCSCC1CCOC1 62a_200000718107_100000702531 [0,1,0,1,0,0|2,0,0]=4 32372 B13R1.343 CC(O)CCCSCC1OCCO1 62a_100000755774_200000718107 [0,1,0,1,0,0|2,0,0]=4 32373 B13R1.343 CC(O)CCCSCC1OCCO1 62a_200000718107_100000755774 [0,1,0,1,0,0|2,0,0]=4 32374 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_100000739158_100012276601 [0,1,0,1,0,0|1,0,0]=3 32375 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_200000755665_100000760354 [0,1,0,1,0,0|1,0,0]=3 32376 B13R1.343 CC(O)CCNCCC1CCCC1 34a_100000739158_100012276601 [0,1,0,1,0,0|1,0,0]=3 32377 B13R1.343 CC(O)CCNCCC1OCCO1 2230a_100000034215_100012276601 [0,1,0,1,0,0|2,0,0]=4 32378 B13R1.343 CC(O)CCNCCC1OCCO1 2230a_200000755665_100000740749 [0,1,0,1,0,0|2,0,0]=4 32379 B13R1.343 CC(O)CCNCCC1OCCO1 34a_100000034215_100012276601 [0,1,0,1,0,0|2,0,0]=4 32380 B13R1.343 CC(O)CCOCCC1CCCC1 34a_100000749090_100012276601 [0,1,0,1,0,0|1,0,0]=3 32381 B13R1.343 CC(O)CCOCCC1CCCC1 7a_100000749090_100012276601 [0,1,0,1,0,0|1,0,0]=3 32382 B13R1.343 CC(O)CCOCCC1CCNC1 34a_100016987287_100012276601 [0,1,0,1,0,0|2,0,0]=4 32383 B13R1.343 CC(O)CCOCCC1CCOC1 34a_100011879284_100012276601 [0,1,0,1,0,0|2,0,0]=4 32384 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100000760354_100012276601 [0,1,0,1,0,0|1,0,0]=3 32385 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100012276601_100000760354 [0,1,0,1,0,0|1,0,0]=3 32386 B13R1.343 CC(O)CCSCCC1OCCO1 62a_100012276601_100000740749 [0,1,0,1,0,0|2,0,0]=4 32387 B13R1.343 CC(O)CCSCCN1CCCC1 62a_100000700749_100012276601 [0,1,0,1,0,0|2,0,0]=4 32388 B13R1.343 CC(O)CCSCCN1CCCC1 62a_100012276601_100000004467 [0,1,0,1,0,0|2,0,0]=4 32389 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000210904_100011713738 [0,1,0,1,0,0|1,0,0]=3 32390 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000736752_100011218427 [0,1,0,1,0,0|1,0,0]=3 32391 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000210904_100011713738 [0,1,0,1,0,0|1,0,0]=3 32392 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000736752_100011218427 [0,1,0,1,0,0|1,0,0]=3 32393 B13R1.343 CC(O)CNCCCC1OCCO1 2230a_100000210904_100000042513 [0,1,0,1,0,0|2,0,0]=4 32394 B13R1.343 CC(O)CNCCCC1OCCO1 34a_100000210904_100009861162 [0,1,0,1,0,0|2,0,0]=4 32395 B13R1.343 CC(O)CNCCCN1CCCC1 2230a_100000210904_100011445909 [0,1,0,1,0,0|2,0,0]=4 32396 B13R1.343 CC(O)CNCCCN1CCCC1 34a_100000210904_100016991639 [0,1,0,1,0,0|2,0,0]=4 32397 B13R1.343 CC(O)CNCCOC1CCCC1 34a_100000741755_100011218427 [0,1,0,1,0,0|2,0,0]=4 32398 B13R1.343 CC(O)COCCCC1CCCC1 34a_100011215328_100011218427 [0,1,0,1,0,0|1,0,0]=3 32399 B13R1.343 CC(O)COCCCC1CCCC1 7a_100011215328_100011218427 [0,1,0,1,0,0|1,0,0]=3 32400 B13R1.343 CC(O)COCCCC1OCCO1 34a_100009871617_100011218427 [0,1,0,1,0,0|2,0,0]=4 32401 B13R1.343 CC(O)COCCCC1OCCO1 7a_100009871617_100011218427 [0,1,0,1,0,0|2,0,0]=4 32402 B13R1.343 CC(O)COCCNC1CCCC1 34a_200000200444_100011218427 [0,1,0,1,0,0|2,0,0]=4 32403 B13R1.343 CC(O)COCCOC1CCCC1 34a_100000738311_100011218427 [0,1,0,1,0,0|2,0,0]=4 32404 B13R1.343 CC(O)COCCOC1CCCC1 7a_100000738311_100011218427 [0,1,0,1,0,0|2,0,0]=4 32405 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011218427_100011713738 [0,1,0,1,0,0|1,0,0]=3 32406 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011713738_100011218427 [0,1,0,1,0,0|1,0,0]=3 32407 B13R1.343 CC(O)CSCCCC1OCCO1 62a_100011218427_100000042513 [0,1,0,1,0,0|2,0,0]=4 32408 B13R1.343 CC(O)CSCCCN1CCCC1 62a_100011218427_100011445909 [0,1,0,1,0,0|2,0,0]=4 32409 B13R1.343 CC(O)CSCCCN1CCCC1 62a_100016991639_100011218427 [0,1,0,1,0,0|2,0,0]=4 32410 B13R1.343 CN(C)CCCOCC1CCCO1 7a_100000210270_100000757444 [0,1,0,1,0,0|2,0,0]=4 32411 B13R1.343 CN(C)CCCSCC1CCCO1 62a_100000203698_100000757444 [0,1,0,1,0,0|2,0,0]=4 32412 B13R1.343 CS(=O)CCCNCC1CCCO1 2230a_200000753449_100000203698 [0,1,0,1,0,0|2,0,0]=4 32413 B13R1.343 C[C@@H](Cl)COCCCC1CCCC1 34a_100016084084_100011713738 [0,1,0,1,0,0|2,0,0]=4 32414 B13R1.343 C[C@@H](Cl)COCCCC1OCCO1 34a_100016084084_100009861162 [0,1,0,1,0,0|2,0,0]=4 32415 B13R1.343 C[C@@H](N)CCOCCC1CCCC1 34a_100000706166_100000760354 [0,1,0,1,0,0|2,0,0]=4 32416 B13R1.343 C[C@@H](N)CCOCCC1OCCO1 34a_100000706166_100000740749 [0,1,0,1,0,0|2,0,0]=4 32417 B13R1.343 C[C@@H](N)COCCCC1CCCC1 34a_100000737577_100011713738 [0,1,0,1,0,0|2,0,0]=4 32418 B13R1.343 C[C@@H](N)COCCCC1OCCO1 34a_100000737577_100009861162 [0,1,0,1,0,0|2,0,0]=4 32419 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 2230a_100000736752_100009817552 [0,1,0,1,0,0|1,0,0]=3 32420 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 34a_100000736752_100009817552 [0,1,0,1,0,0|1,0,0]=3 32421 B13R1.343 C[C@@H](O)CNCCOC1CCCC1 34a_100000741755_100009817552 [0,1,0,1,0,0|2,0,0]=4 32422 B13R1.343 C[C@@H](O)COCCCC1CCCC1 34a_100011215328_100009817552 [0,1,0,1,0,0|1,0,0]=3 32423 B13R1.343 C[C@@H](O)COCCCC1CCCC1 7a_100011215328_100009817552 [0,1,0,1,0,0|1,0,0]=3 32424 B13R1.343 C[C@@H](O)COCCCC1OCCO1 34a_100009871617_100009817552 [0,1,0,1,0,0|2,0,0]=4 32425 B13R1.343 C[C@@H](O)COCCCC1OCCO1 7a_100009871617_100009817552 [0,1,0,1,0,0|2,0,0]=4 32426 B13R1.343 C[C@@H](O)COCCNC1CCCC1 34a_200000200444_100009817552 [0,1,0,1,0,0|2,0,0]=4 32427 B13R1.343 C[C@@H](O)COCCOC1CCCC1 34a_100000738311_100009817552 [0,1,0,1,0,0|2,0,0]=4 32428 B13R1.343 C[C@@H](O)COCCOC1CCCC1 7a_100000738311_100009817552 [0,1,0,1,0,0|2,0,0]=4 32429 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100009817552_100011713738 [0,1,0,1,0,0|1,0,0]=3 32430 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100011713738_100009817552 [0,1,0,1,0,0|1,0,0]=3 32431 B13R1.343 C[C@@H](O)CSCCCC1OCCO1 62a_100009817552_100000042513 [0,1,0,1,0,0|2,0,0]=4 32432 B13R1.343 C[C@@H](O)CSCCCN1CCCC1 62a_100009817552_100011445909 [0,1,0,1,0,0|2,0,0]=4 32433 B13R1.343 C[C@@H](O)CSCCCN1CCCC1 62a_100016991639_100009817552 [0,1,0,1,0,0|2,0,0]=4 32434 B13R1.343 FC(F)CCOCCC1CCCC1 34a_100103093639_100000760354 [0,1,0,1,0,0|2,0,0]=4 32435 B13R1.343 FC(F)CNCCCC1CCCC1 2230a_100000736752_100011934356 [0,1,0,1,0,0|2,0,0]=4 32436 B13R1.343 FC(F)CNCCCC1CCCC1 34a_100000736752_100011934356 [0,1,0,1,0,0|2,0,0]=4 32437 B13R1.343 FC(F)CNCCCC1CCCC1 34a_100000765723_100011713738 [0,1,0,1,0,0|2,0,0]=4 32438 B13R1.343 FC(F)COCCCC1CCCC1 34a_100000743014_100011713738 [0,1,0,1,0,0|2,0,0]=4 32439 B13R1.343 FC(F)COCCCC1CCCC1 34a_100011215328_100011934356 [0,1,0,1,0,0|2,0,0]=4 32440 B13R1.343 FC(F)COCCCC1CCCC1 7a_100011215328_100011934356 [0,1,0,1,0,0|2,0,0]=4 32441 B13R1.343 FC(F)CSCCCC1CCCC1 62a_100011713738_100011934356 [0,1,0,1,0,0|2,0,0]=4 32442 B13R1.343 FC(F)CSCCCC1CCCC1 62a_100011934356_100011713738 [0,1,0,1,0,0|2,0,0]=4 32443 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|1,0,1]=4 32444 B13R1.343 OB(O)CCCCCN1CCCC1 2230a_100000188435_200009817188 [0,1,0,1,0,0|2,0,0]=4 32445 B13R1.343 OB(O)CCCCCN1CCCC1 269982a_100000188435_200009817188 [0,1,0,1,0,0|2,0,0]=4 32446 B13R1.343 OB(O)CCCCNC1CCCC1 2230a_100000211070_200009817182 [0,1,0,1,0,0|2,0,0]=4 32447 B13R1.343 OB(O)CCCCNC1CCCC1 34a_100000211070_200009817182 [0,1,0,1,0,0|2,0,0]=4 32448 B13R1.343 OB(O)CCCCOC1CCCC1 34a_100000210269_200009817182 [0,1,0,1,0,0|2,0,0]=4 32449 B13R1.343 OB(O)CCCCOC1CCCC1 7a_100000210269_200009817182 [0,1,0,1,0,0|2,0,0]=4 32450 B13R1.343 OB(O)CCCCSC1CCCC1 62a_100011217020_200009817182 [0,1,0,1,0,0|2,0,0]=4 32451 B13R1.343 OB(O)CCCCSC1CCCC1 62a_200009817182_100000179811 [0,1,0,1,0,0|2,0,0]=4 32452 B13R1.380 C=C(C)CN1CCCCC1CCO 2230a_100000211664_100000748629 [0,1,0,1,0,0|1,0,1]=4 32453 B13R1.380 C=C(C)CN1CCCCC1CCO 269982a_100000211664_100000748629 [0,1,0,1,0,0|1,0,1]=4 32454 B13R1.380 C=C(C)CN1CCCCC1CCO 34a_100000211664_100000748629 [0,1,0,1,0,0|1,0,1]=4 32455 B13R1.380 CC(C)CC1COCCN1CCO 2230a_100000755734_100000211926 [0,1,0,1,0,0|2,0,0]=4 32456 B13R1.380 CC(C)CC1COCCN1CCO 269982a_100000755734_100000211926 [0,1,0,1,0,0|2,0,0]=4 32457 B13R1.380 CC(C)CC1COCCN1CCO 34a_100000755734_100000211926 [0,1,0,1,0,0|2,0,0]=4 32458 B13R1.380 CC(C)CN1CCCCC1CCO 2230a_100000211664_100000210760 [0,1,0,1,0,0|1,0,0]=3 32459 B13R1.380 CC(C)CN1CCCCC1CCO 269982a_100000211664_100000210624 [0,1,0,1,0,0|1,0,0]=3 32460 B13R1.380 CC(C)CN1CCCCC1CCO 270004a_100000211664_100000210432 [0,1,0,1,0,0|1,0,0]=3 32461 B13R1.380 CC(C)CN1CCCCC1CCO 34a_100000211664_100000210624 [0,1,0,1,0,0|1,0,0]=3 32462 B13R1.380 CC(O)CN1CCCCC1CCO 2230a_100000211664_100011218427 [0,1,0,1,0,0|1,0,0]=3 32463 B13R1.380 CC(O)CN1CCCCC1CCO 269982a_100000211664_100011218427 [0,1,0,1,0,0|1,0,0]=3 32464 B13R1.380 CC(O)CN1CCCCC1CCO 34a_100000211664_100011218427 [0,1,0,1,0,0|1,0,0]=3 32465 B13R1.380 CCCC1CCCCC1OC(C)C 34a_100011217265_100000210206 [0,1,0,1,0,0|2,0,0]=4 32466 B13R1.380 CCCC1CCCCC1OC(C)C 7a_100011217265_100000210206 [0,1,0,1,0,0|2,0,0]=4 32467 B13R1.380 CCCC1CCCCN1CC(C)C 2230a_100000701414_100000210760 [0,1,0,1,0,0|2,0,0]=4 32468 B13R1.380 CCCC1CCCCN1CC(C)C 269982a_100000701414_100000210624 [0,1,0,1,0,0|2,0,0]=4 32469 B13R1.380 CCCC1CCCCN1CC(C)C 270004a_100000701414_100000210432 [0,1,0,1,0,0|2,0,0]=4 32470 B13R1.380 CCCC1CCCCN1CC(C)C 34a_100000701414_100000210624 [0,1,0,1,0,0|2,0,0]=4 32471 B13R1.380 CCCC1CCCCN1CC(C)O 2230a_100000701414_100011218427 [0,1,0,1,0,0|1,0,0]=3 32472 B13R1.380 CCCC1CCCCN1CC(C)O 269982a_100000701414_100011218427 [0,1,0,1,0,0|1,0,0]=3 32473 B13R1.380 CCCC1CCCCN1CC(C)O 34a_100000701414_100011218427 [0,1,0,1,0,0|1,0,0]=3 32474 B13R1.380 CCCC1CCCCN1CC(F)F 2230a_100000701414_100011934356 [0,1,0,1,0,0|2,0,0]=4 32475 B13R1.380 CCCC1CCCCN1CC(F)F 269982a_100000701414_100011934356 [0,1,0,1,0,0|2,0,0]=4 32476 B13R1.380 CCCC1CCCCN1CC(F)F 34a_100000701414_100011934356 [0,1,0,1,0,0|2,0,0]=4 32477 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 2230a_100000701414_100009817552 [0,1,0,1,0,0|1,0,0]=3 32478 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 269982a_100000701414_100009817552 [0,1,0,1,0,0|1,0,0]=3 32479 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 34a_100000701414_100009817552 [0,1,0,1,0,0|1,0,0]=3 32480 B13R1.380 CCCC1COCCN1CC(C)O 2230a_102495339903_100011218427 [0,1,0,1,0,0|2,0,0]=4 32481 B13R1.380 CCCC1COCCN1CC(C)O 269982a_102495339903_100011218427 [0,1,0,1,0,0|2,0,0]=4 32482 B13R1.380 CCCC1COCCN1CC(C)O 34a_102495339903_100011218427 [0,1,0,1,0,0|2,0,0]=4 32483 B13R1.380 CCCC1COCCN1C[C@@H](C)O 2230a_102495339903_100009817552 [0,1,0,1,0,0|2,0,0]=4 32484 B13R1.380 CCCC1COCCN1C[C@@H](C)O 269982a_102495339903_100009817552 [0,1,0,1,0,0|2,0,0]=4 32485 B13R1.380 CCCC1COCCN1C[C@@H](C)O 34a_102495339903_100009817552 [0,1,0,1,0,0|2,0,0]=4 32486 B13R1.380 CN(C)CC1CCCCN1CCO 2230a_100000746231_100000211926 [0,1,0,1,0,0|2,0,0]=4 32487 B13R1.380 CN(C)CC1CCCCN1CCO 269982a_100000746231_100000211926 [0,1,0,1,0,0|2,0,0]=4 32488 B13R1.380 COCC1CCCCN1CC(C)O 2230a_100015184032_100011218427 [0,1,0,1,0,0|2,0,0]=4 32489 B13R1.380 COCC1CCCCN1CC(C)O 269982a_100015184032_100011218427 [0,1,0,1,0,0|2,0,0]=4 32490 B13R1.380 COCC1CCCCN1CC(C)O 34a_100015184032_100011218427 [0,1,0,1,0,0|2,0,0]=4 32491 B13R1.380 COCC1CCCCN1C[C@@H](C)O 2230a_100015184032_100009817552 [0,1,0,1,0,0|2,0,0]=4 32492 B13R1.380 COCC1CCCCN1C[C@@H](C)O 269982a_100015184032_100009817552 [0,1,0,1,0,0|2,0,0]=4 32493 B13R1.380 COCC1CCCCN1C[C@@H](C)O 34a_100015184032_100009817552 [0,1,0,1,0,0|2,0,0]=4 32494 B13R1.380 C[C@@H](O)CN1CCCCC1CCO 2230a_100000211664_100009817552 [0,1,0,1,0,0|1,0,0]=3 32495 B13R1.380 C[C@@H](O)CN1CCCCC1CCO 269982a_100000211664_100009817552 [0,1,0,1,0,0|1,0,0]=3 32496 B13R1.380 C[C@@H](O)CN1CCCCC1CCO 34a_100000211664_100009817552 [0,1,0,1,0,0|1,0,0]=3 32497 B13R1.380 OCCC1CCCCN1CC(F)F 2230a_100000211664_100011934356 [0,1,0,1,0,0|2,0,0]=4 32498 B13R1.380 OCCC1CCCCN1CC(F)F 269982a_100000211664_100011934356 [0,1,0,1,0,0|2,0,0]=4 32499 B13R1.380 OCCC1CCCCN1CC(F)F 34a_100000211664_100011934356 [0,1,0,1,0,0|2,0,0]=4 32500 B13R1.392 CCCC1CCCC1NCC(C)C 269862a_100000210953_100000723119 [0,1,0,1,0,0|2,0,0]=4 32501 B13R1.392 CCCC1CCCC1NCC(C)C 270004a_100000210953_100000723119 [0,1,0,1,0,0|2,0,0]=4 32502 B13R1.392 CCCC1CCCC1NCC(C)O 269862a_100000210904_100000723119 [0,1,0,1,0,0|1,0,0]=3 32503 B13R1.392 CCCC1CCCC1NCC(C)O 270004a_100000210904_100000723119 [0,1,0,1,0,0|1,0,0]=3 32504 B13R1.392 CCCC1CCCC1NCC(F)F 270004a_100000765723_100000723119 [0,1,0,1,0,0|2,0,0]=4 32505 B13R1.392 COC[C@@H]1CCCN1CCC(C)O 2230a_100020646714_100012276601 [0,1,0,1,0,0|2,0,0]=4 32506 B13R1.392 COC[C@@H]1CCCN1CCC(C)O 269982a_100020646714_100012276601 [0,1,0,1,0,0|2,0,0]=4 32507 B13R1.392 COC[C@@H]1CCCN1CCC(C)O 34a_100020646714_100012276601 [0,1,0,1,0,0|2,0,0]=4 32508 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [0,1,0,1,0,0|1,0,1]=4 32509 B13R1.572 CC(C)C1CCCCC1OCCF 34a_100011709184_100011217306 [0,1,0,1,0,0|2,0,0]=4 32510 B13R1.572 CC(C)C1CCCCC1OCCF 7a_100011709184_100011217306 [0,1,0,1,0,0|2,0,0]=4 32511 B13R1.572 CC(C)C1CCCCC1OCCO 34a_100011709184_100000211926 [0,1,0,1,0,0|1,0,0]=3 32512 B13R1.572 CC(C)C1CCCCC1OCCO 7a_100011709184_100000211926 [0,1,0,1,0,0|1,0,0]=3 32513 B13R1.572 CC(C)C1CCCCN1CCCF 2230a_100000757267_100011934791 [0,1,0,1,0,0|2,0,0]=4 32514 B13R1.572 CC(C)C1CCCCN1CCCF 269982a_100000757267_100011934791 [0,1,0,1,0,0|2,0,0]=4 32515 B13R1.572 CC(C)C1CCCCN1CCCF 34a_100000757267_100011934791 [0,1,0,1,0,0|2,0,0]=4 32516 B13R1.572 CC(C)C1CCCCN1CCCO 2230a_100000757267_100000230001 [0,1,0,1,0,0|1,0,0]=3 32517 B13R1.572 CC(C)C1CCCCN1CCCO 269982a_100000757267_100011215043 [0,1,0,1,0,0|1,0,0]=3 32518 B13R1.572 CC(C)C1CCCCN1CCCO 34a_100000757267_100000230001 [0,1,0,1,0,0|1,0,0]=3 32519 B13R1.572 CC(C)N1CCCCC1CCCO 2230a_100011934581_100000210206 [0,1,0,1,0,0|1,0,0]=3 32520 B13R1.572 CC(C)N1CCCCC1CCCO 269982a_100011934581_100000210206 [0,1,0,1,0,0|1,0,0]=3 32521 B13R1.572 CC(C)N1CCCCC1CCCO 34a_100011934581_100000210206 [0,1,0,1,0,0|1,0,0]=3 32522 B13R1.572 CC(C)[C@H]1COCCN1CCCO 2230a_100025712635_100000230001 [0,1,0,1,0,0|2,0,0]=4 32523 B13R1.572 CC(C)[C@H]1COCCN1CCCO 269982a_100025712635_100011215043 [0,1,0,1,0,0|2,0,0]=4 32524 B13R1.572 CC(C)[C@H]1COCCN1CCCO 34a_100025712635_100000230001 [0,1,0,1,0,0|2,0,0]=4 32525 B13R1.572 CCCCN1CCCCC1C(C)C 2230a_100000757267_100000210211 [0,1,0,1,0,0|2,0,0]=4 32526 B13R1.572 CCCCN1CCCCC1C(C)C 269982a_100000757267_100000210211 [0,1,0,1,0,0|2,0,0]=4 32527 B13R1.572 CCCCN1CCCCC1C(C)C 34a_100000757267_100000210210 [0,1,0,1,0,0|2,0,0]=4 32528 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|1,0,1]=4 32529 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|1,0,1]=4 32530 B13R1.572 CCCOC1CCCCC1C(C)C 34a_100011709184_100000210303 [0,1,0,1,0,0|2,0,0]=4 32531 B13R1.572 CCCOC1CCCCC1C(C)C 7a_100011709184_100000210303 [0,1,0,1,0,0|2,0,0]=4 32532 B13R1.578 CC(C)CC1CCCN1CCCF 2230a_100000748429_100011934791 [0,1,0,1,0,0|2,0,0]=4 32533 B13R1.578 CC(C)CC1CCCN1CCCF 269982a_100000748429_100011934791 [0,1,0,1,0,0|2,0,0]=4 32534 B13R1.578 CC(C)CC1CCCN1CCCF 34a_100000748429_100011934791 [0,1,0,1,0,0|2,0,0]=4 32535 B13R1.578 CC(C)CC1CCCN1CCCO 2230a_100000748429_100000230001 [0,1,0,1,0,0|1,0,0]=3 32536 B13R1.578 CC(C)CC1CCCN1CCCO 269982a_100000748429_100011215043 [0,1,0,1,0,0|1,0,0]=3 32537 B13R1.578 CC(C)CC1CCCN1CCCO 34a_100000748429_100000230001 [0,1,0,1,0,0|1,0,0]=3 32538 B13R1.578 CCCCN1CCCC1CC(C)C 2230a_100000748429_100000210211 [0,1,0,1,0,0|2,0,0]=4 32539 B13R1.578 CCCCN1CCCC1CC(C)C 269982a_100000748429_100000210211 [0,1,0,1,0,0|2,0,0]=4 32540 B13R1.578 CCCCN1CCCC1CC(C)C 34a_100000748429_100000210210 [0,1,0,1,0,0|2,0,0]=4 32541 B13R1.578 CN(C)C[C@H]1CCCN1CCCO 269982a_200020645772_100011215043 [0,1,0,1,0,0|2,0,0]=4 32542 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [0,1,0,1,0,0|1,0,1]=4 32543 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [0,1,0,1,0,0|1,0,1]=4 32544 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [0,1,0,1,0,0|1,0,1]=4 32545 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [0,1,0,1,0,0|1,0,1]=4 32546 B13R1.586 CC(C)CCCCCNC1CCC1 2230a_100000749019_100000210682 [0,1,0,1,0,0|2,0,0]=4 32547 B13R1.586 CC(C)CCCCCNC1CCC1 270004a_100011290863_100000241760 [0,1,0,1,0,0|2,0,0]=4 32548 B13R1.586 CC(C)CCCCCNC1CCC1 34a_100000749019_100000210682 [0,1,0,1,0,0|2,0,0]=4 32549 B13R1.586 CC(C)CCCCCNC1CCC1 34a_100011290863_100000749161 [0,1,0,1,0,0|2,0,0]=4 32550 B13R1.586 CC(C)CCCCCOC1CCC1 34a_100000748187_100000210682 [0,1,0,1,0,0|2,0,0]=4 32551 B13R1.586 CC(C)CCCCCOC1CCC1 34a_100011995859_100000749161 [0,1,0,1,0,0|2,0,0]=4 32552 B13R1.586 CC(C)CCCCCSC1CCC1 62a_100000210682_100000749161 [0,1,0,1,0,0|2,0,0]=4 32553 B13R1.586 CC(C)CCCCNCC1CCC1 2230a_100000738700_100011216152 [0,1,0,1,0,0|2,0,0]=4 32554 B13R1.586 CC(C)CCCCNCC1CCC1 34a_100000738700_100011216152 [0,1,0,1,0,0|2,0,0]=4 32555 B13R1.586 CC(C)CCCCNC[C@@H]1CCO1 2230a_100020831831_100011216152 [0,1,0,1,0,0|1,0,0]=3 32556 B13R1.586 CC(C)CCCCNC[C@@H]1CCO1 34a_100020831831_100011216152 [0,1,0,1,0,0|1,0,0]=3 32557 B13R1.586 CC(C)CCCCOCC1CCC1 34a_100000760304_100011216152 [0,1,0,1,0,0|2,0,0]=4 32558 B13R1.586 CC(C)CCCCOCC1CCC1 34a_100011214890_100000763275 [0,1,0,1,0,0|2,0,0]=4 32559 B13R1.586 CC(C)CCCCOCC1CCC1 7a_100011214890_100000763275 [0,1,0,1,0,0|2,0,0]=4 32560 B13R1.586 CC(C)CCCCOCC1CCO1 34a_100000039022_100011216152 [0,1,0,1,0,0|1,0,0]=3 32561 B13R1.586 CC(C)CCCCOCC1CCO1 34a_100011214890_100000103362 [0,1,0,1,0,0|1,0,0]=3 32562 B13R1.586 CC(C)CCCCOCC1CCO1 7a_100011214890_100000103362 [0,1,0,1,0,0|1,0,0]=3 32563 B13R1.586 CC(C)CCCCSCC1CCC1 62a_100000763275_100011216152 [0,1,0,1,0,0|2,0,0]=4 32564 B13R1.586 CC(C)CCCCSCC1CCC1 62a_100011216152_100000763275 [0,1,0,1,0,0|2,0,0]=4 32565 B13R1.586 CC(C)CCCCSCC1CCO1 62a_100000103362_100011216152 [0,1,0,1,0,0|1,0,0]=3 32566 B13R1.586 CC(C)CCCCSCC1CCO1 62a_100011216152_100000103362 [0,1,0,1,0,0|1,0,0]=3 32567 B13R1.586 CC(C)CNCCOCC1CCO1 34a_100015185251_100000103362 [0,1,0,1,0,0|2,0,0]=4 32568 B13R1.586 CC(C)COCCOCC1CCO1 34a_100000703358_100000103362 [0,1,0,1,0,0|2,0,0]=4 32569 B13R1.586 CC(C)COCCOCC1CCO1 7a_100000703358_100000103362 [0,1,0,1,0,0|2,0,0]=4 32570 B13R1.586 CC(C)CSCCOCC1CCO1 34a_200000230437_100000103362 [0,1,0,1,0,0|2,0,0]=4 32571 B13R1.586 CC(C)CSCCOCC1CCO1 7a_200000230437_100000103362 [0,1,0,1,0,0|2,0,0]=4 32572 B13R1.586 CC(C)NCCCOCC1CCO1 34a_100000182298_100000103362 [0,1,0,1,0,0|2,0,0]=4 32573 B13R1.586 CC(C)OCCCNCC1CCO1 2230a_100000737246_100000103362 [0,1,0,1,0,0|2,0,0]=4 32574 B13R1.586 CC(C)OCCCNCC1CCO1 34a_100000737246_100000103362 [0,1,0,1,0,0|2,0,0]=4 32575 B13R1.586 CC(O)CCCOCCC1COC1 34a_100009855314_200000718107 [0,1,0,1,0,0|2,0,0]=4 32576 B13R1.586 CN(C)CCCCSCC1CCO1 62a_100000103362_100000690147 [0,1,0,1,0,0|2,0,0]=4 32577 B13R1.586 OB(O)CCCCCCN1CCC1 269982a_100000754969_100009817187 [0,1,0,1,0,0|2,0,0]=4 32578 B13R1.586 OB(O)CCCCCNC1CCC1 2230a_100000749019_200009817188 [0,1,0,1,0,0|2,0,0]=4 32579 B13R1.586 OB(O)CCCCCNC1CCC1 34a_100000749019_200009817188 [0,1,0,1,0,0|2,0,0]=4 32580 B13R1.586 OB(O)CCCCCOC1CCC1 34a_100000748187_200009817188 [0,1,0,1,0,0|2,0,0]=4 32581 B13R1.586 OB(O)CCCCCSC1CCC1 62a_200009817188_100000749161 [0,1,0,1,0,0|2,0,0]=4 32582 B13R1.586 OB(O)CCCCNCC1CCC1 2230a_100000738700_200009817182 [0,1,0,1,0,0|2,0,0]=4 32583 B13R1.586 OB(O)CCCCNCC1CCC1 34a_100000738700_200009817182 [0,1,0,1,0,0|2,0,0]=4 32584 B13R1.586 OB(O)CCCCOCC1CCC1 34a_100000760304_200009817182 [0,1,0,1,0,0|2,0,0]=4 32585 B13R1.586 OB(O)CCCCSCC1CCC1 62a_100000763275_200009817182 [0,1,0,1,0,0|2,0,0]=4 32586 B13R1.586 OB(O)CCCCSCC1CCC1 62a_200009817182_100000763275 [0,1,0,1,0,0|2,0,0]=4 32587 B13R1.610 CC(C)CC1CCCCCN1CF 269982a_100000759364_100015361967 [0,1,0,1,0,0|2,0,0]=4 32588 B13R1.610 CC(C)CC1CCCCCN1CF 34a_100000759364_100015361967 [0,1,0,1,0,0|2,0,0]=4 32589 B13R1.610 CCN1CCCCCC1CC(C)C 2230a_100000759364_100000210202 [0,1,0,1,0,0|2,0,0]=4 32590 B13R1.610 CCN1CCCCCC1CC(C)C 269982a_100000759364_100000204670 [0,1,0,1,0,0|2,0,0]=4 32591 B13R1.610 CCN1CCCCCC1CC(C)C 34a_100000759364_100000210202 [0,1,0,1,0,0|2,0,0]=4 32592 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|1,0,1]=4 32593 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|1,0,1]=4 32594 B13R1.668 CC1(CCCCC1NCCCF)C 269862a_100015189416_100000031690 [0,1,0,1,0,0|2,0,0]=4 32595 B13R1.668 CC1(CCCCC1NCCCO)C 269862a_100000182051_100000031690 [0,1,0,1,0,0|1,0,0]=3 32596 B13R1.668 CC1(CNCCC1NCCCO)C 269862a_100000182051_100015191249 [0,1,0,1,0,0|2,0,0]=4 32597 B13R1.668 CC1(CNCCC1OCCCO)C 34a_100000709803_100000230001 [0,1,0,1,0,0|2,0,0]=4 32598 B13R1.668 CC1(COCCN1CCCCO)C 2230a_100000724681_100000210776 [0,1,0,1,0,0|2,0,0]=4 32599 B13R1.668 CC1(COCCN1CCCCO)C 269982a_100000724681_100000210776 [0,1,0,1,0,0|2,0,0]=4 32600 B13R1.668 CC1(COCCN1CCCCO)C 34a_100000724681_100011216708 [0,1,0,1,0,0|2,0,0]=4 32601 B13R1.668 CCCCNC1CCCCC1(C)C 269862a_100000102301_100000031690 [0,1,0,1,0,0|2,0,0]=4 32602 B13R1.668 CCCCNC1CCCCC1(F)F 2230a_100000686509_100000210211 [0,1,0,1,0,0|2,0,0]=4 32603 B13R1.668 CCCCNC1CCCCC1(F)F 34a_100000686509_100000210210 [0,1,0,1,0,0|2,0,0]=4 32604 B13R1.668 CCCCOC1CCCCC1(F)F 34a_100000210227_200009832135 [0,1,0,1,0,0|2,0,0]=4 32605 B13R1.668 CCCCSC1CCCCC1(F)F 62a_100000210211_200009832135 [0,1,0,1,0,0|2,0,0]=4 32606 B13R1.668 CCCCSC1CCCCC1(F)F 62a_200009832135_100000210210 [0,1,0,1,0,0|2,0,0]=4 32607 B13R1.668 OCCCNC1CCCCC1(F)F 2230a_100000686509_100000230001 [0,1,0,1,0,0|2,0,0]=4 32608 B13R1.668 OCCCNC1CCCCC1(F)F 34a_100000686509_100000230001 [0,1,0,1,0,0|2,0,0]=4 32609 B13R1.668 OCCCSC1CCCCC1(F)F 62a_100011215043_200009832135 [0,1,0,1,0,0|2,0,0]=4 32610 B13R1.668 OCCCSC1CCCCC1(F)F 62a_200009832135_100011215043 [0,1,0,1,0,0|2,0,0]=4 32611 B13R1.670 CC(C)C1CCCN1CCCCF 2230a_100000762757_100000729493 [0,1,0,1,0,0|2,0,0]=4 32612 B13R1.670 CC(C)C1CCCN1CCCCF 269982a_100000762757_100000729493 [0,1,0,1,0,0|2,0,0]=4 32613 B13R1.670 CC(C)C1CCCN1CCCCF 34a_100000762757_100000729493 [0,1,0,1,0,0|2,0,0]=4 32614 B13R1.670 CC(C)C1CCCN1CCCCO 2230a_100000762757_100000210776 [0,1,0,1,0,0|1,0,0]=3 32615 B13R1.670 CC(C)C1CCCN1CCCCO 269982a_100000762757_100000210776 [0,1,0,1,0,0|1,0,0]=3 32616 B13R1.670 CC(C)C1CCCN1CCCCO 34a_100000762757_100011216708 [0,1,0,1,0,0|1,0,0]=3 32617 B13R1.670 CCCCCC1CCCC1N(C)C 270004a_100102631434_200000198059 [0,1,0,1,0,0|2,0,0]=4 32618 B13R1.670 CCCCCN1CCCC1C(C)C 2230a_100000762757_100000210326 [0,1,0,1,0,0|2,0,0]=4 32619 B13R1.670 CCCCCN1CCCC1C(C)C 269982a_100000762757_100000210215 [0,1,0,1,0,0|2,0,0]=4 32620 B13R1.670 CCCCCN1CCCC1C(C)C 34a_100000762757_100000718602 [0,1,0,1,0,0|2,0,0]=4 32621 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|1,0,1]=4 32622 B13R1.1022 CC(C)CCN1CCCCCCC1 2230a_100000211400_100000210312 [0,1,0,1,0,0|2,0,0]=4 32623 B13R1.1022 CC(C)CCN1CCCCCCC1 269982a_100000211400_100000210312 [0,1,0,1,0,0|2,0,0]=4 32624 B13R1.1022 CC(C)CCN1CCCCCCC1 34a_100000211400_100000210312 [0,1,0,1,0,0|2,0,0]=4 32625 B13R1.1022 CC(C)CNC1CCCCCCC1 2230a_100000211152_100000210760 [0,1,0,1,0,0|2,0,0]=4 32626 B13R1.1022 CC(C)CNC1CCCCCCC1 270004a_100000210953_100000210524 [0,1,0,1,0,0|2,0,0]=4 32627 B13R1.1022 CC(C)CNC1CCCCCCC1 270004a_100000211152_100000210432 [0,1,0,1,0,0|2,0,0]=4 32628 B13R1.1022 CC(C)CNC1CCCCCCC1 34a_100000211152_100000210624 [0,1,0,1,0,0|2,0,0]=4 32629 B13R1.1022 CC(C)COC1CCCCCCC1 34a_100000210054_100000210624 [0,1,0,1,0,0|2,0,0]=4 32630 B13R1.1022 CC(C)COC1CCCCCCC1 7a_100000210054_100000210760 [0,1,0,1,0,0|2,0,0]=4 32631 B13R1.1022 CC(C)OCC1CCCCCCC1 34a_100011216312_100000210206 [0,1,0,1,0,0|2,0,0]=4 32632 B13R1.1022 CC(C)OCC1CCCCCCC1 7a_100011216312_100000210206 [0,1,0,1,0,0|2,0,0]=4 32633 B13R1.1022 CC(O)CCN1CCCCCCC1 2230a_100000211400_100012276601 [0,1,0,1,0,0|1,0,0]=3 32634 B13R1.1022 CC(O)CCN1CCCCCCC1 269982a_100000211400_100012276601 [0,1,0,1,0,0|1,0,0]=3 32635 B13R1.1022 CC(O)CCN1CCCCCCC1 34a_100000211400_100012276601 [0,1,0,1,0,0|1,0,0]=3 32636 B13R1.1022 CC(O)CNC1CCCCCCC1 2230a_100000211152_100011218427 [0,1,0,1,0,0|1,0,0]=3 32637 B13R1.1022 CC(O)CNC1CCCCCCC1 270004a_100000210904_100000210524 [0,1,0,1,0,0|1,0,0]=3 32638 B13R1.1022 CC(O)CNC1CCCCCCC1 34a_100000211152_100011218427 [0,1,0,1,0,0|1,0,0]=3 32639 B13R1.1022 CC(O)COC1CCCCCCC1 34a_100000210054_100011218427 [0,1,0,1,0,0|1,0,0]=3 32640 B13R1.1022 CC(O)COC1CCCCCCC1 7a_100000210054_100011218427 [0,1,0,1,0,0|1,0,0]=3 32641 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 2230a_100000211152_100009817552 [0,1,0,1,0,0|1,0,0]=3 32642 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 34a_100000211152_100009817552 [0,1,0,1,0,0|1,0,0]=3 32643 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 34a_100000210054_100009817552 [0,1,0,1,0,0|1,0,0]=3 32644 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 7a_100000210054_100009817552 [0,1,0,1,0,0|1,0,0]=3 32645 B13R1.1022 FC(F)CNC1CCCCCCC1 2230a_100000211152_100011934356 [0,1,0,1,0,0|2,0,0]=4 32646 B13R1.1022 FC(F)CNC1CCCCCCC1 270004a_100000765723_100000210524 [0,1,0,1,0,0|2,0,0]=4 32647 B13R1.1022 FC(F)CNC1CCCCCCC1 34a_100000211152_100011934356 [0,1,0,1,0,0|2,0,0]=4 32648 B13R1.1022 FC(F)COC1CCCCCCC1 34a_100000210054_100011934356 [0,1,0,1,0,0|2,0,0]=4 32649 B13R1.1022 FC(F)COC1CCCCCCC1 7a_100000210054_100011934356 [0,1,0,1,0,0|2,0,0]=4 32650 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [0,1,0,1,0,0|1,0,1]=4 32651 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [0,1,0,1,0,0|1,0,1]=4 32652 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [0,1,0,1,0,0|1,0,1]=4 32653 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [0,1,0,1,0,0|1,0,1]=4 32654 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [0,1,0,1,0,0|1,0,1]=4 32655 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [0,1,0,1,0,0|1,0,1]=4 32656 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [0,1,0,1,0,0|1,0,1]=4 32657 B13R1.1052 CC(C)CCCCCCNC1CC1 34a_100000211014_100000211595 [0,1,0,1,0,0|2,0,0]=4 32658 B13R1.1052 CC(C)CCCCCNCC1CC1 2230a_100000735609_100000210682 [0,1,0,1,0,0|2,0,0]=4 32659 B13R1.1052 CC(C)CCCCCNCC1CC1 2230a_100011290863_100000742324 [0,1,0,1,0,0|2,0,0]=4 32660 B13R1.1052 CC(C)CCCCCNCC1CC1 269862a_100011290863_100000741477 [0,1,0,1,0,0|2,0,0]=4 32661 B13R1.1052 CC(C)CCCCCNCC1CC1 34a_100000735609_100000210682 [0,1,0,1,0,0|2,0,0]=4 32662 B13R1.1052 CC(C)CCCCCNCC1CC1 34a_100011290863_100000742324 [0,1,0,1,0,0|2,0,0]=4 32663 B13R1.1052 CC(C)CCCCCNCC1CO1 2230a_100011290863_100011216344 [0,1,0,1,0,0|1,0,0]=3 32664 B13R1.1052 CC(C)CCCCCNCC1CO1 34a_100011290863_102125554688 [0,1,0,1,0,0|1,0,0]=3 32665 B13R1.1052 CC(C)CCCCCOCC1CC1 34a_100000211283_100000210682 [0,1,0,1,0,0|2,0,0]=4 32666 B13R1.1052 CC(C)CCCCCOCC1CC1 34a_100011995859_100000742324 [0,1,0,1,0,0|2,0,0]=4 32667 B13R1.1052 CC(C)CCCCCOCC1CC1 7a_100011995859_100000742324 [0,1,0,1,0,0|2,0,0]=4 32668 B13R1.1052 CC(C)CCCCCOCC1CO1 34a_100011995859_102125554688 [0,1,0,1,0,0|1,0,0]=3 32669 B13R1.1052 CC(C)CCCCCOCC1CO1 7a_100011995859_102125554688 [0,1,0,1,0,0|1,0,0]=3 32670 B13R1.1052 CC(C)CCCCCOCC1CS1 7a_100011995859_100000031435 [0,1,0,1,0,0|1,1,0]=4 32671 B13R1.1052 CC(C)CCCCCOC[C@@H]1CO1 34a_100000757423_100000210682 [0,1,0,1,0,0|1,0,0]=3 32672 B13R1.1052 CC(C)CCCCCOC[C@@H]1CO1 7a_100011995859_100000745022 [0,1,0,1,0,0|1,0,0]=3 32673 B13R1.1052 CC(C)CCCCCSCC1CC1 62a_100000210682_100000742324 [0,1,0,1,0,0|2,0,0]=4 32674 B13R1.1052 CC(C)CCCCCSCC1CC1 62a_100000756562_100000210682 [0,1,0,1,0,0|2,0,0]=4 32675 B13R1.1052 CC(C)CCCCCSCC1CO1 62a_100000210682_102125554688 [0,1,0,1,0,0|1,0,0]=3 32676 B13R1.1052 CC(C)CCCCCSCC1CO1 62a_102125554688_100000210682 [0,1,0,1,0,0|1,0,0]=3 32677 B13R1.1052 CC(C)CCCCCSCC1CS1 62a_100000031435_100000210682 [0,1,0,1,0,0|1,1,0]=4 32678 B13R1.1052 CC(C)CCCCCSCC1CS1 62a_100000210682_100000031435 [0,1,0,1,0,0|1,1,0]=4 32679 B13R1.1052 CC(C)CCCCCSC[C@@H]1CO1 62a_100000210682_100000745022 [0,1,0,1,0,0|1,0,0]=3 32680 B13R1.1052 CC(C)CCCCCSC[C@@H]1CO1 62a_100000745022_100000210682 [0,1,0,1,0,0|1,0,0]=3 32681 B13R1.1052 CC(C)CCCCNCCC1CC1 34a_100000764129_100011216152 [0,1,0,1,0,0|2,0,0]=4 32682 B13R1.1052 CC(C)CCCCOCCC1CC1 34a_100000754188_100011216152 [0,1,0,1,0,0|2,0,0]=4 32683 B13R1.1052 CC(C)CCCCOCCC1CC1 34a_100011214890_100000694398 [0,1,0,1,0,0|2,0,0]=4 32684 B13R1.1052 CC(C)CCCCOCCC1CC1 7a_100000754188_100011216152 [0,1,0,1,0,0|2,0,0]=4 32685 B13R1.1052 CC(C)CCCCOCCC1CC1 7a_100011214890_100000764125 [0,1,0,1,0,0|2,0,0]=4 32686 B13R1.1052 CC(C)CCCCOCCC1CO1 34a_100011214890_100000732470 [0,1,0,1,0,0|1,0,0]=3 32687 B13R1.1052 CC(C)CCCCOCCC1CO1 7a_100011214890_100000732470 [0,1,0,1,0,0|1,0,0]=3 32688 B13R1.1052 CC(C)CCCCOCC[C@@H]1CO1 34a_100009820653_100011216152 [0,1,0,1,0,0|1,0,0]=3 32689 B13R1.1052 CC(C)CCCCSCCC1CC1 62a_100000764125_100011216152 [0,1,0,1,0,0|2,0,0]=4 32690 B13R1.1052 CC(C)CCCCSCCC1CC1 62a_100011216152_100000764125 [0,1,0,1,0,0|2,0,0]=4 32691 B13R1.1052 CC(C)CCCCSCCC1CO1 62a_100000732470_100011216152 [0,1,0,1,0,0|1,0,0]=3 32692 B13R1.1052 CC(C)CCCCSCCC1CO1 62a_100011216152_100000732470 [0,1,0,1,0,0|1,0,0]=3 32693 B13R1.1052 CC(C)CCCNCCCC1CO1 2230a_200000737386_100000733510 [0,1,0,1,0,0|1,0,0]=3 32694 B13R1.1052 CC(C)CCCNCCCC1CO1 34a_200000737386_100000733510 [0,1,0,1,0,0|1,0,0]=3 32695 B13R1.1052 CC(C)CCCOCCCC1CO1 34a_100000210774_100000733510 [0,1,0,1,0,0|1,0,0]=3 32696 B13R1.1052 CC(C)CCCOCCCC1CO1 7a_100000210774_100000733510 [0,1,0,1,0,0|1,0,0]=3 32697 B13R1.1052 CC(C)CCCSCCCC1CO1 62a_100000733510_100011214892 [0,1,0,1,0,0|1,0,0]=3 32698 B13R1.1052 CC(C)CCCSCCCC1CO1 62a_100011214892_100000733510 [0,1,0,1,0,0|1,0,0]=3 32699 B13R1.1052 CC(C)CNCCOCCC1CO1 34a_100015185251_100000732470 [0,1,0,1,0,0|2,0,0]=4 32700 B13R1.1052 CC(C)COCCCNCC1CO1 2230a_100000205972_100011216344 [0,1,0,1,0,0|2,0,0]=4 32701 B13R1.1052 CC(C)COCCCNCC1CO1 34a_100000205972_102125554688 [0,1,0,1,0,0|2,0,0]=4 32702 B13R1.1052 CC(C)COCCOCCC1CO1 34a_100000703358_100000732470 [0,1,0,1,0,0|2,0,0]=4 32703 B13R1.1052 CC(C)COCCOCCC1CO1 7a_100000703358_100000732470 [0,1,0,1,0,0|2,0,0]=4 32704 B13R1.1052 CC(C)CSCCOCCC1CO1 34a_200000230437_100000732470 [0,1,0,1,0,0|2,0,0]=4 32705 B13R1.1052 CC(C)CSCCOCCC1CO1 7a_200000230437_100000732470 [0,1,0,1,0,0|2,0,0]=4 32706 B13R1.1052 CC(C)NCCCCOCC1CO1 34a_100011521146_102125554688 [0,1,0,1,0,0|2,0,0]=4 32707 B13R1.1052 CC(C)NCCCOCCC1CO1 34a_100000182298_100000732470 [0,1,0,1,0,0|2,0,0]=4 32708 B13R1.1052 CC(C)NCCOCCCC1CO1 34a_100000224655_100000733510 [0,1,0,1,0,0|2,0,0]=4 32709 B13R1.1052 CC(C)OCCCCOCC1CO1 34a_100010889290_100000210206 [0,1,0,1,0,0|2,0,0]=4 32710 B13R1.1052 CC(C)OCCCCOCC1CO1 7a_100010889290_100000210206 [0,1,0,1,0,0|2,0,0]=4 32711 B13R1.1052 CC(C)OCCCNCCC1CO1 2230a_100000737246_100000732470 [0,1,0,1,0,0|2,0,0]=4 32712 B13R1.1052 CC(C)OCCCNCCC1CO1 34a_100000737246_100000732470 [0,1,0,1,0,0|2,0,0]=4 32713 B13R1.1052 CC(C)OCCNCCCC1CO1 2230a_100000701111_100000733510 [0,1,0,1,0,0|2,0,0]=4 32714 B13R1.1052 CC(C)OCCNCCCC1CO1 34a_100000701111_100000733510 [0,1,0,1,0,0|2,0,0]=4 32715 B13R1.1052 CC(C)OCCOCCCC1CO1 34a_100000211219_100000733510 [0,1,0,1,0,0|2,0,0]=4 32716 B13R1.1052 CC(C)OCCOCCCC1CO1 7a_100000211219_100000733510 [0,1,0,1,0,0|2,0,0]=4 32717 B13R1.1052 CC(C)OCCSCCCC1CO1 62a_100000211751_100000733510 [0,1,0,1,0,0|2,0,0]=4 32718 B13R1.1052 CC(C)OCCSCCCC1CO1 62a_100000733510_100000211751 [0,1,0,1,0,0|2,0,0]=4 32719 B13R1.1052 CC(C)SCCNCCCC1CO1 2230a_100000731138_100000733510 [0,1,0,1,0,0|2,0,0]=4 32720 B13R1.1052 CC(C)SCCNCCCC1CO1 34a_100000731138_100000733510 [0,1,0,1,0,0|2,0,0]=4 32721 B13R1.1052 CC(C)SCCOCCCC1CO1 34a_200011212901_100000733510 [0,1,0,1,0,0|2,0,0]=4 32722 B13R1.1052 CC(C)SCCOCCCC1CO1 7a_200011212901_100000733510 [0,1,0,1,0,0|2,0,0]=4 32723 B13R1.1052 CC(C)SCCSCCCC1CO1 62a_100000730970_100000733510 [0,1,0,1,0,0|2,0,0]=4 32724 B13R1.1052 CC(C)SCCSCCCC1CO1 62a_100000733510_100000730970 [0,1,0,1,0,0|2,0,0]=4 32725 B13R1.1052 CC(O)CCCOCCNC1CC1 34a_100000738766_200000718107 [0,1,0,1,0,0|2,0,0]=4 32726 B13R1.1052 CC(O)CCCSCCCC1CO1 62a_100000733510_200000718107 [0,1,0,1,0,0|1,0,0]=3 32727 B13R1.1052 CC(O)CCCSCCCC1CO1 62a_200000718107_100000733510 [0,1,0,1,0,0|1,0,0]=3 32728 B13R1.1052 CN(C)CCCCSCCC1CO1 62a_100000732470_100000690147 [0,1,0,1,0,0|2,0,0]=4 32729 B13R1.1052 CN(C)CCCSCCCC1CO1 62a_100000733510_100000757444 [0,1,0,1,0,0|2,0,0]=4 32730 B13R1.1052 CS(=O)CCCNCCCC1CO1 2230a_200000753449_100000733510 [0,1,0,1,0,0|2,0,0]=4 32731 B13R1.1052 OB(O)CCCCCCNC1CC1 34a_100000212008_100009817187 [0,1,0,1,0,0|2,0,0]=4 32732 B13R1.1052 OB(O)CCCCCCSC1CC1 62a_100009817187_100000211595 [0,1,0,1,0,0|2,0,0]=4 32733 B13R1.1052 OB(O)CCCCCNCC1CC1 2230a_100000735609_200009817188 [0,1,0,1,0,0|2,0,0]=4 32734 B13R1.1052 OB(O)CCCCCNCC1CC1 34a_100000735609_200009817188 [0,1,0,1,0,0|2,0,0]=4 32735 B13R1.1052 OB(O)CCCCCOCC1CC1 34a_100000211283_200009817188 [0,1,0,1,0,0|2,0,0]=4 32736 B13R1.1052 OB(O)CCCCCSCC1CC1 62a_100000756562_200009817188 [0,1,0,1,0,0|2,0,0]=4 32737 B13R1.1052 OB(O)CCCCCSCC1CC1 62a_200009817188_100000742324 [0,1,0,1,0,0|2,0,0]=4 32738 B13R1.1052 OB(O)CCCCNCCC1CC1 34a_100000764129_200009817182 [0,1,0,1,0,0|2,0,0]=4 32739 B13R1.1052 OB(O)CCCCOCCC1CC1 34a_100000754188_200009817182 [0,1,0,1,0,0|2,0,0]=4 32740 B13R1.1052 OB(O)CCCCOCCC1CC1 7a_100000754188_200009817182 [0,1,0,1,0,0|2,0,0]=4 32741 B13R1.1052 OB(O)CCCCSCCC1CC1 62a_100000764125_200009817182 [0,1,0,1,0,0|2,0,0]=4 32742 B13R1.1052 OB(O)CCCCSCCC1CC1 62a_200009817182_100000764125 [0,1,0,1,0,0|2,0,0]=4 32743 B13R1.1107 CC(C)CN1CCCCCCCC1 2230a_100000039187_100000210760 [0,1,0,1,0,0|2,0,0]=4 32744 B13R1.1107 CC(C)CN1CCCCCCCC1 269982a_100000039187_100000210624 [0,1,0,1,0,0|2,0,0]=4 32745 B13R1.1107 CC(C)CN1CCCCCCCC1 270004a_100000039187_100000210432 [0,1,0,1,0,0|2,0,0]=4 32746 B13R1.1107 CC(C)CN1CCCCCCCC1 34a_100000039187_100000210624 [0,1,0,1,0,0|2,0,0]=4 32747 B13R1.1107 CC(O)CN1CCCCCCCC1 2230a_100000039187_100011218427 [0,1,0,1,0,0|1,0,0]=3 32748 B13R1.1107 CC(O)CN1CCCCCCCC1 269982a_100000039187_100011218427 [0,1,0,1,0,0|1,0,0]=3 32749 B13R1.1107 CC(O)CN1CCCCCCCC1 34a_100000039187_100011218427 [0,1,0,1,0,0|1,0,0]=3 32750 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 2230a_100000039187_100009817552 [0,1,0,1,0,0|1,0,0]=3 32751 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 269982a_100000039187_100009817552 [0,1,0,1,0,0|1,0,0]=3 32752 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 34a_100000039187_100009817552 [0,1,0,1,0,0|1,0,0]=3 32753 B13R1.1107 FC(F)CN1CCCCCCCC1 2230a_100000039187_100011934356 [0,1,0,1,0,0|2,0,0]=4 32754 B13R1.1107 FC(F)CN1CCCCCCCC1 269982a_100000039187_100011934356 [0,1,0,1,0,0|2,0,0]=4 32755 B13R1.1107 FC(F)CN1CCCCCCCC1 34a_100000039187_100011934356 [0,1,0,1,0,0|2,0,0]=4 32756 B13R1.1988 CC(Br)CCOC1CCCCCC1 34a_100009893172_100011217769 [0,1,0,1,0,0|2,0,0]=4 32757 B13R1.1988 CC(Br)COCC1CCCCCC1 34a_100012180447_200000696569 [0,1,0,1,0,0|2,0,0]=4 32758 B13R1.1988 CC(C)CCCN1CCCCCC1 2230a_100000185865_100011214892 [0,1,0,1,0,0|2,0,0]=4 32759 B13R1.1988 CC(C)CCCN1CCCCCC1 269982a_100000185865_100011214892 [0,1,0,1,0,0|2,0,0]=4 32760 B13R1.1988 CC(C)CCCN1CCCCCC1 34a_100000185865_100011214892 [0,1,0,1,0,0|2,0,0]=4 32761 B13R1.1988 CC(C)CCNC1CCCCCC1 2230a_100000210984_100000210312 [0,1,0,1,0,0|2,0,0]=4 32762 B13R1.1988 CC(C)CCNC1CCCCCC1 269862a_100000210984_100000185833 [0,1,0,1,0,0|2,0,0]=4 32763 B13R1.1988 CC(C)CCNC1CCCCCC1 270004a_100000210545_100000210131 [0,1,0,1,0,0|2,0,0]=4 32764 B13R1.1988 CC(C)CCNC1CCCCCC1 34a_100000210984_100000210312 [0,1,0,1,0,0|2,0,0]=4 32765 B13R1.1988 CC(C)CCOC1CCCCCC1 34a_100000210254_100011217769 [0,1,0,1,0,0|2,0,0]=4 32766 B13R1.1988 CC(C)CCOC1CCCCCC1 34a_100000210887_100000210312 [0,1,0,1,0,0|2,0,0]=4 32767 B13R1.1988 CC(C)CCOC1CCCCCC1 7a_100000210887_100000210626 [0,1,0,1,0,0|2,0,0]=4 32768 B13R1.1988 CC(C)CCSC1CCCCCC1 62a_100000210312_100011217769 [0,1,0,1,0,0|2,0,0]=4 32769 B13R1.1988 CC(C)CCSC1CCCCCC1 62a_100011217769_100000210312 [0,1,0,1,0,0|2,0,0]=4 32770 B13R1.1988 CC(C)CNCC1CCCCCC1 2230a_100000210953_200000696569 [0,1,0,1,0,0|2,0,0]=4 32771 B13R1.1988 CC(C)CNCC1CCCCCC1 2230a_100015204231_100000210760 [0,1,0,1,0,0|2,0,0]=4 32772 B13R1.1988 CC(C)CNCC1CCCCCC1 269862a_100000210953_200000763224 [0,1,0,1,0,0|2,0,0]=4 32773 B13R1.1988 CC(C)CNCC1CCCCCC1 270004a_100015204231_100000210432 [0,1,0,1,0,0|2,0,0]=4 32774 B13R1.1988 CC(C)CNCC1CCCCCC1 34a_100000210953_200000696569 [0,1,0,1,0,0|2,0,0]=4 32775 B13R1.1988 CC(C)CNCC1CCCCCC1 34a_100015204231_100000210624 [0,1,0,1,0,0|2,0,0]=4 32776 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000210257_200000696569 [0,1,0,1,0,0|2,0,0]=4 32777 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000699130_100000210624 [0,1,0,1,0,0|2,0,0]=4 32778 B13R1.1988 CC(C)COCC1CCCCCC1 7a_100000699130_100000210760 [0,1,0,1,0,0|2,0,0]=4 32779 B13R1.1988 CC(C)CSCC1CCCCCC1 62a_100000210624_200000696569 [0,1,0,1,0,0|2,0,0]=4 32780 B13R1.1988 CC(C)CSCC1CCCCCC1 62a_200000696569_100000210760 [0,1,0,1,0,0|2,0,0]=4 32781 B13R1.1988 CC(C)NCCC1CCCCCC1 2230a_100011532351_100000210206 [0,1,0,1,0,0|2,0,0]=4 32782 B13R1.1988 CC(C)NCCC1CCCCCC1 34a_100011532351_100000210206 [0,1,0,1,0,0|2,0,0]=4 32783 B13R1.1988 CC(F)COCC1CCCCCC1 34a_100015925927_200000696569 [0,1,0,1,0,0|2,0,0]=4 32784 B13R1.1988 CC(O)CCCN1CCCCCC1 2230a_100000185865_200000718107 [0,1,0,1,0,0|1,0,0]=3 32785 B13R1.1988 CC(O)CCCN1CCCCCC1 269982a_100000185865_200000718107 [0,1,0,1,0,0|1,0,0]=3 32786 B13R1.1988 CC(O)CCCN1CCCCCC1 34a_100000185865_200000718107 [0,1,0,1,0,0|1,0,0]=3 32787 B13R1.1988 CC(O)CCCN1CCCOCC1 2230a_100000685342_200000718107 [0,1,0,1,0,0|2,0,0]=4 32788 B13R1.1988 CC(O)CCCN1CCCOCC1 269982a_100000685342_200000718107 [0,1,0,1,0,0|2,0,0]=4 32789 B13R1.1988 CC(O)CCCN1CCCOCC1 34a_100000685342_200000718107 [0,1,0,1,0,0|2,0,0]=4 32790 B13R1.1988 CC(O)CCNC1CCCCCC1 2230a_100000210984_100012276601 [0,1,0,1,0,0|1,0,0]=3 32791 B13R1.1988 CC(O)CCNC1CCCCCC1 270004a_200000755665_100000210131 [0,1,0,1,0,0|1,0,0]=3 32792 B13R1.1988 CC(O)CCNC1CCCCCC1 34a_100000210984_100012276601 [0,1,0,1,0,0|1,0,0]=3 32793 B13R1.1988 CC(O)CCNC1CCCNCC1 270004a_200000755665_100015187895 [0,1,0,1,0,0|2,0,0]=4 32794 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [0,1,0,1,0,0|1,0,0]=3 32795 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [0,1,0,1,0,0|1,0,0]=3 32796 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100011217769_100012276601 [0,1,0,1,0,0|1,0,0]=3 32797 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100012276601_100011217769 [0,1,0,1,0,0|1,0,0]=3 32798 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [0,1,0,1,0,0|1,0,0]=3 32799 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [0,1,0,1,0,0|1,0,0]=3 32800 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [0,1,0,1,0,0|1,0,0]=3 32801 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [0,1,0,1,0,0|1,0,0]=3 32802 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [0,1,0,1,0,0|1,0,0]=3 32803 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,1,0,1,0,0|1,0,0]=3 32804 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,1,0,1,0,0|1,0,0]=3 32805 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [0,1,0,1,0,0|1,0,0]=3 32806 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [0,1,0,1,0,0|1,0,0]=3 32807 B13R1.1988 C[C@@H](Cl)COCC1CCCCCC1 34a_100016084084_200000696569 [0,1,0,1,0,0|2,0,0]=4 32808 B13R1.1988 C[C@@H](N)CCOC1CCCCCC1 34a_100000706166_100011217769 [0,1,0,1,0,0|2,0,0]=4 32809 B13R1.1988 C[C@@H](N)COCC1CCCCCC1 34a_100000737577_200000696569 [0,1,0,1,0,0|2,0,0]=4 32810 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [0,1,0,1,0,0|1,0,0]=3 32811 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [0,1,0,1,0,0|1,0,0]=3 32812 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,1,0,1,0,0|1,0,0]=3 32813 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,1,0,1,0,0|1,0,0]=3 32814 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [0,1,0,1,0,0|1,0,0]=3 32815 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [0,1,0,1,0,0|1,0,0]=3 32816 B13R1.1988 FC(F)CCOC1CCCCCC1 34a_100103093639_100011217769 [0,1,0,1,0,0|2,0,0]=4 32817 B13R1.1988 FC(F)CNCC1CCCCCC1 2230a_100015204231_100011934356 [0,1,0,1,0,0|2,0,0]=4 32818 B13R1.1988 FC(F)CNCC1CCCCCC1 34a_100000765723_200000696569 [0,1,0,1,0,0|2,0,0]=4 32819 B13R1.1988 FC(F)CNCC1CCCCCC1 34a_100015204231_100011934356 [0,1,0,1,0,0|2,0,0]=4 32820 B13R1.1988 FC(F)COCC1CCCCCC1 34a_100000699130_100011934356 [0,1,0,1,0,0|2,0,0]=4 32821 B13R1.1988 FC(F)COCC1CCCCCC1 34a_100000743014_200000696569 [0,1,0,1,0,0|2,0,0]=4 32822 B13R1.1988 FC(F)COCC1CCCCCC1 7a_100000699130_100011934356 [0,1,0,1,0,0|2,0,0]=4 32823 B13R1.1988 FC(F)CSCC1CCCCCC1 62a_100011934356_200000696569 [0,1,0,1,0,0|2,0,0]=4 32824 B13R1.1988 FC(F)CSCC1CCCCCC1 62a_200000696569_100011934356 [0,1,0,1,0,0|2,0,0]=4 32825 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|1,0,1]=4 32826 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|1,0,1]=4 32827 B13R1.3672 CC1(CC1COCCCCCF)C 34a_100000728257_100000729378 [0,1,0,1,0,0|2,0,0]=4 32828 B13R1.3672 CC1(CC1COCCCCCF)C 7a_100000728257_100000729378 [0,1,0,1,0,0|2,0,0]=4 32829 B13R1.3672 CC1(CC1COCCCCCO)C 34a_100000728257_100000746330 [0,1,0,1,0,0|1,0,0]=3 32830 B13R1.3672 CC1(CC1COCCCCCO)C 7a_100000728257_100000746330 [0,1,0,1,0,0|1,0,0]=3 32831 B13R1.3672 CC1(CC1COCCOCCO)C 34a_100000728257_100000692535 [0,1,0,1,0,0|2,0,0]=4 32832 B13R1.3672 CC1(CC1COCCOCCO)C 7a_100000728257_100011215305 [0,1,0,1,0,0|2,0,0]=4 32833 B13R1.3672 CC1(OC1COCCCCCO)C 34a_200010283642_100000746330 [0,1,0,1,0,0|2,0,0]=4 32834 B13R1.3672 CC1(OC1COCCCCCO)C 7a_200010283642_100000746330 [0,1,0,1,0,0|2,0,0]=4 32835 B13R1.3672 CCCCCCCNC1CC1(F)F 2230a_100020610826_100000210681 [0,1,0,1,0,0|2,0,0]=4 32836 B13R1.3672 CCCCCCCNC1CC1(F)F 34a_100020610826_100000210614 [0,1,0,1,0,0|2,0,0]=4 32837 B13R1.3672 CCCCCCNCC1CC1(F)F 2230a_100000210581_100009817841 [0,1,0,1,0,0|2,0,0]=4 32838 B13R1.3672 CCCCCCOCC1CC1(C)C 34a_100000728257_100000210314 [0,1,0,1,0,0|2,0,0]=4 32839 B13R1.3672 CCCCCCOCC1CC1(C)C 7a_100000728257_100000210314 [0,1,0,1,0,0|2,0,0]=4 32840 B13R1.3672 CCCCCCOCC1CC1(F)F 34a_100000056500_100000210314 [0,1,0,1,0,0|2,0,0]=4 32841 B13R1.3672 CCCCCCOCC1CC1(F)F 34a_100000210259_100009817841 [0,1,0,1,0,0|2,0,0]=4 32842 B13R1.3672 CCCCCCOCC1CC1(F)F 7a_100000056500_100000210314 [0,1,0,1,0,0|2,0,0]=4 32843 B13R1.3672 CCCCCCOCC1CC1(F)F 7a_100000210259_100009817841 [0,1,0,1,0,0|2,0,0]=4 32844 B13R1.3672 CCCCCCSCC1CC1(F)F 62a_100000210314_100009817841 [0,1,0,1,0,0|2,0,0]=4 32845 B13R1.3672 CCCCCCSCC1CC1(F)F 62a_100009817841_100000210757 [0,1,0,1,0,0|2,0,0]=4 32846 B13R1.3672 CCCCCOCCC1CC1(F)F 34a_100009864177_100000718602 [0,1,0,1,0,0|2,0,0]=4 32847 B13R1.3672 CCCCCOCCC1CC1(F)F 7a_100009864177_100000210326 [0,1,0,1,0,0|2,0,0]=4 32848 B13R1.3672 OCCCCCCNC1CC1(F)F 2230a_100020610826_100000766143 [0,1,0,1,0,0|2,0,0]=4 32849 B13R1.3672 OCCCCCCNC1CC1(F)F 34a_100020610826_100000766143 [0,1,0,1,0,0|2,0,0]=4 32850 B13R1.3672 OCCCCCNCC1CC1(F)F 2230a_100000762737_100009817841 [0,1,0,1,0,0|2,0,0]=4 32851 B13R1.3672 OCCCCCNCC1CC1(F)F 34a_100000762737_100009817841 [0,1,0,1,0,0|2,0,0]=4 32852 B13R1.3672 OCCCCCOCC1CC1(F)F 34a_100000056500_100000746330 [0,1,0,1,0,0|2,0,0]=4 32853 B13R1.3672 OCCCCCOCC1CC1(F)F 7a_100000056500_100000746330 [0,1,0,1,0,0|2,0,0]=4 32854 B13R1.3672 OCCCCCSCC1CC1(F)F 62a_100000746330_100009817841 [0,1,0,1,0,0|2,0,0]=4 32855 B13R1.3672 OCCCCCSCC1CC1(F)F 62a_100009817841_100000746330 [0,1,0,1,0,0|2,0,0]=4 32856 B13R1.3672 OCCCCOCCC1CC1(F)F 34a_100009864177_100011216708 [0,1,0,1,0,0|2,0,0]=4 32857 B13R1.3672 OCCCCOCCC1CC1(F)F 7a_100009864177_100000210776 [0,1,0,1,0,0|2,0,0]=4 32858 B13R1.9 C=C1CCC(CC1)COCCCO 34a_100000074039_100000230001 [0,1,0,1,0,0|1,0,1]=4 32859 B13R1.9 C=C1CCC(CC1)NCCCCO 270004a_100000750430_100010272673 [0,1,0,1,0,0|1,0,1]=4 32860 B13R1.9 C=C1CCN(CC1)CCCCCO 2230a_100000752442_100000746330 [0,1,0,1,0,0|1,0,1]=4 32861 B13R1.9 C=C1CCN(CC1)CCCCCO 269982a_100000752442_100000746330 [0,1,0,1,0,0|1,0,1]=4 32862 B13R1.9 C=C1CCN(CC1)CCCCCO 34a_100000752442_100000746330 [0,1,0,1,0,0|1,0,1]=4 32863 B13R1.9 CC1CCC(CC1)CNCCCF 2230a_103436935547_100011934791 [0,1,0,1,0,0|2,0,0]=4 32864 B13R1.9 CC1CCC(CC1)CNCCCF 34a_103436935547_100011934791 [0,1,0,1,0,0|2,0,0]=4 32865 B13R1.9 CC1CCC(CC1)CNCCCO 2230a_103436935547_100000230001 [0,1,0,1,0,0|1,0,0]=3 32866 B13R1.9 CC1CCC(CC1)CNCCCO 34a_103436935547_100000230001 [0,1,0,1,0,0|1,0,0]=3 32867 B13R1.9 CC1CCC(CC1)COCCCF 34a_100000701341_100011934791 [0,1,0,1,0,0|2,0,0]=4 32868 B13R1.9 CC1CCC(CC1)COCCCO 34a_100000701341_100000230001 [0,1,0,1,0,0|1,0,0]=3 32869 B13R1.9 CC1CCC(CC1)NCCCCO 270004a_100000750430_100000185489 [0,1,0,1,0,0|1,0,0]=3 32870 B13R1.9 CC1CCC(CC1)NCCCCO 34a_100000750430_200011216234 [0,1,0,1,0,0|1,0,0]=3 32871 B13R1.9 CC1CCC(CC1)OCCCCBr 34a_100011216708_200011216234 [0,1,0,1,0,0|2,0,0]=4 32872 B13R1.9 CC1CCC(CC1)OCCCCCl 34a_100000210776_200011216234 [0,1,0,1,0,0|2,0,0]=4 32873 B13R1.9 CC1CCC(CC1)OCCCCF 34a_100000210714_100000729493 [0,1,0,1,0,0|2,0,0]=4 32874 B13R1.9 CC1CCC(CC1)OCCCCF 34a_100011995726_200011216234 [0,1,0,1,0,0|2,0,0]=4 32875 B13R1.9 CC1CCC(CC1)OCCCCF 7a_100000210714_100000729493 [0,1,0,1,0,0|2,0,0]=4 32876 B13R1.9 CC1CCC(CC1)OCCCCI 34a_200012148704_200011216234 [0,1,0,1,0,0|2,0,0]=4 32877 B13R1.9 CC1CCC(CC1)OCCCCN 34a_100000750430_200011216234 [0,1,0,1,0,0|2,0,0]=4 32878 B13R1.9 CC1CCC(CC1)OCCCCO 34a_100000210714_100011216708 [0,1,0,1,0,0|1,0,0]=3 32879 B13R1.9 CC1CCC(CC1)OCCCCO 7a_100000210714_100000210776 [0,1,0,1,0,0|1,0,0]=3 32880 B13R1.9 CC1CCC(CC1)SCCCCF 62a_100000729493_200011216234 [0,1,0,1,0,0|2,0,0]=4 32881 B13R1.9 CC1CCC(CC1)SCCCCO 62a_100000210776_200011216234 [0,1,0,1,0,0|1,0,0]=3 32882 B13R1.9 CC1CCN(CC1)CCCCCF 2230a_100000188429_100000729378 [0,1,0,1,0,0|2,0,0]=4 32883 B13R1.9 CC1CCN(CC1)CCCCCF 269982a_100000188429_100000729378 [0,1,0,1,0,0|2,0,0]=4 32884 B13R1.9 CC1CCN(CC1)CCCCCF 34a_100000188429_100000729378 [0,1,0,1,0,0|2,0,0]=4 32885 B13R1.9 CC1CCN(CC1)CCCCCO 2230a_100000188429_100000746330 [0,1,0,1,0,0|1,0,0]=3 32886 B13R1.9 CC1CCN(CC1)CCCCCO 269982a_100000188429_100000746330 [0,1,0,1,0,0|1,0,0]=3 32887 B13R1.9 CC1CCN(CC1)CCCCCO 34a_100000188429_100000746330 [0,1,0,1,0,0|1,0,0]=3 32888 B13R1.9 CC1CCN(CC1)CCOCCO 2230a_100000188429_100011215305 [0,1,0,1,0,0|2,0,0]=4 32889 B13R1.9 CC1CCN(CC1)CCOCCO 269982a_100000188429_100011215305 [0,1,0,1,0,0|2,0,0]=4 32890 B13R1.9 CC1CCN(CC1)CCOCCO 34a_100000188429_100000692535 [0,1,0,1,0,0|2,0,0]=4 32891 B13R1.9 CCCCCCN1CCC(CC1)C 2230a_100000188429_100000210314 [0,1,0,1,0,0|2,0,0]=4 32892 B13R1.9 CCCCCCN1CCC(CC1)C 269982a_100000188429_100000210757 [0,1,0,1,0,0|2,0,0]=4 32893 B13R1.9 CCCCCCN1CCC(CC1)C 34a_100000188429_100000210314 [0,1,0,1,0,0|2,0,0]=4 32894 B13R1.9 CCCCCCN1CCC(CC1)F 2230a_100015193889_100000210314 [0,1,0,1,0,0|2,0,0]=4 32895 B13R1.9 CCCCCCN1CCC(CC1)F 269982a_100015193889_100000210757 [0,1,0,1,0,0|2,0,0]=4 32896 B13R1.9 CCCCCCN1CCC(CC1)F 34a_100015193889_100000210314 [0,1,0,1,0,0|2,0,0]=4 32897 B13R1.9 CCCCCCN1CCC(CC1)O 2230a_100025773856_100000210314 [0,1,0,1,0,0|2,0,0]=4 32898 B13R1.9 CCCCCCN1CCC(CC1)O 269982a_100025773856_100000210757 [0,1,0,1,0,0|2,0,0]=4 32899 B13R1.9 CCCCCNC1CCC(CC1)C 270004a_100000209983_100000185489 [0,1,0,1,0,0|2,0,0]=4 32900 B13R1.9 CCCCCNC1CCC(CC1)O 270004a_100000209983_100000764474 [0,1,0,1,0,0|2,0,0]=4 32901 B13R1.9 CCCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210326 [0,1,0,1,0,0|2,0,0]=4 32902 B13R1.9 CCCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000718602 [0,1,0,1,0,0|2,0,0]=4 32903 B13R1.9 CCCCCOC1CCC(CC1)C 34a_100000210253_200011216234 [0,1,0,1,0,0|2,0,0]=4 32904 B13R1.9 CCCCCOC1CCC(CC1)C 34a_100000210714_100000718602 [0,1,0,1,0,0|2,0,0]=4 32905 B13R1.9 CCCCCOC1CCC(CC1)C 7a_100000210714_100000210326 [0,1,0,1,0,0|2,0,0]=4 32906 B13R1.9 CCCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000718602 [0,1,0,1,0,0|2,0,0]=4 32907 B13R1.9 CCCCCSC1CCC(CC1)C 62a_100000210326_200011216234 [0,1,0,1,0,0|2,0,0]=4 32908 B13R1.9 CCCCNCC1CCC(CC1)C 2230a_103436935547_100000210211 [0,1,0,1,0,0|2,0,0]=4 32909 B13R1.9 CCCCNCC1CCC(CC1)C 34a_103436935547_100000210210 [0,1,0,1,0,0|2,0,0]=4 32910 B13R1.9 CCCCOCC1CCC(CC1)C 34a_100000701341_100000210210 [0,1,0,1,0,0|2,0,0]=4 32911 B13R1.9 CCCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210210 [0,1,0,1,0,0|2,0,0]=4 32912 B13R1.9 CCCNCCC1CCC(CC1)O 34a_200011935226_100000210303 [0,1,0,1,0,0|2,0,0]=4 32913 B13R1.9 CCCOCCC1CCC(CC1)N 34a_100000070672_100000210303 [0,1,0,1,0,0|2,0,0]=4 32914 B13R1.9 CN1CCC(CC1)CSCCCO 62a_100011215043_100015183002 [0,1,0,1,0,0|2,0,0]=4 32915 B13R1.9 CN1CCC(CC1)CSCCCO 62a_100015183002_100011215043 [0,1,0,1,0,0|2,0,0]=4 32916 B13R1.9 CN1CCC(CC1)NCCCCO 270004a_100000750430_100000210137 [0,1,0,1,0,0|2,0,0]=4 32917 B13R1.9 CN1CCC(CC1)SCCCCO 62a_100000210776_100011215917 [0,1,0,1,0,0|2,0,0]=4 32918 B13R1.9 CN1CCN(CC1)CCCCCO 2230a_100000188432_100000746330 [0,1,0,1,0,0|2,0,0]=4 32919 B13R1.9 CN1CCN(CC1)CCCCCO 269982a_100000188432_100000746330 [0,1,0,1,0,0|2,0,0]=4 32920 B13R1.9 C[C@H]1CC[C@@H](CC1)NCCCCF 2230a_100020625639_100000729493 [0,1,0,1,0,0|2,0,0]=4 32921 B13R1.9 C[C@H]1CC[C@@H](CC1)NCCCCF 34a_100020625639_100000729493 [0,1,0,1,0,0|2,0,0]=4 32922 B13R1.9 C[C@H]1CC[C@@H](CC1)NCCCCO 2230a_100020625639_100000210776 [0,1,0,1,0,0|1,0,0]=3 32923 B13R1.9 C[C@H]1CC[C@@H](CC1)NCCCCO 34a_100020625639_100011216708 [0,1,0,1,0,0|1,0,0]=3 32924 B13R1.9 FCCCCCN1CCC(CC1)F 2230a_100015193889_100000729378 [0,1,0,1,0,0|2,0,0]=4 32925 B13R1.9 FCCCCCN1CCC(CC1)F 269982a_100015193889_100000729378 [0,1,0,1,0,0|2,0,0]=4 32926 B13R1.9 FCCCCCN1CCC(CC1)F 34a_100015193889_100000729378 [0,1,0,1,0,0|2,0,0]=4 32927 B13R1.9 NC1CCC(CC1)CCOCCF 34a_100000070672_100011217306 [0,1,0,1,0,0|2,0,0]=4 32928 B13R1.9 NC1CCC(CC1)CCOCCO 34a_100000070672_100000211926 [0,1,0,1,0,0|1,0,0]=3 32929 B13R1.9 N[C@H]1CC[C@@H](CC1)COCCCF 34a_100009821084_100011934791 [0,1,0,1,0,0|2,0,0]=4 32930 B13R1.9 N[C@H]1CC[C@@H](CC1)COCCCO 34a_100009821084_100000230001 [0,1,0,1,0,0|1,0,0]=3 32931 B13R1.9 N[C@H]1CC[C@H](CC1)OCCCCF 34a_100020628982_100000729493 [0,1,0,1,0,0|2,0,0]=4 32932 B13R1.9 N[C@H]1CC[C@H](CC1)OCCCCO 34a_100020628982_100011216708 [0,1,0,1,0,0|1,0,0]=3 32933 B13R1.9 O=C1CCC(CC1)COCCCO 34a_100000062911_100000230001 [0,1,0,1,0,0|1,0,1]=4 32934 B13R1.9 O=C1CCC(CC1)OCCCCO 34a_100000764474_100011216708 [0,1,0,1,0,0|1,0,1]=4 32935 B13R1.9 O=C1CCC(CC1)OCCCCO 7a_100000764474_100000210776 [0,1,0,1,0,0|1,0,1]=4 32936 B13R1.9 O=S1CCN(CC1)CCCCCO 2230a_100000752083_100000746330 [0,1,0,1,0,0|2,0,0]=4 32937 B13R1.9 O=S1CCN(CC1)CCCCCO 269982a_100000752083_100000746330 [0,1,0,1,0,0|2,0,0]=4 32938 B13R1.9 OC1CCC(CC1)CCNCCF 34a_200011935226_100011217306 [0,1,0,1,0,0|2,0,0]=4 32939 B13R1.9 OC1CCN(CC1)CCCCCF 2230a_100025773856_100000729378 [0,1,0,1,0,0|2,0,0]=4 32940 B13R1.9 OC1CCN(CC1)CCCCCF 269982a_100025773856_100000729378 [0,1,0,1,0,0|2,0,0]=4 32941 B13R1.9 OCCCCCN1CCC(CC1)F 2230a_100015193889_100000746330 [0,1,0,1,0,0|1,0,0]=3 32942 B13R1.9 OCCCCCN1CCC(CC1)F 269982a_100015193889_100000746330 [0,1,0,1,0,0|1,0,0]=3 32943 B13R1.9 OCCCCCN1CCC(CC1)F 34a_100015193889_100000746330 [0,1,0,1,0,0|1,0,0]=3 32944 B13R1.9 OCCCCCN1CCC(CC1)O 2230a_100025773856_100000746330 [0,1,0,1,0,0|1,0,0]=3 32945 B13R1.9 OCCCCCN1CCC(CC1)O 269982a_100025773856_100000746330 [0,1,0,1,0,0|1,0,0]=3 32946 B13R1.9 OCCCCNC1CCC(CC1)O 270004a_100000750430_100000764474 [0,1,0,1,0,0|1,0,0]=3 32947 B13R1.9 OCCNCCC1CCC(CC1)O 34a_200011935226_100000211926 [0,1,0,1,0,0|1,0,0]=3 32948 B13R1.9 OCCOCCN1CCC(CC1)F 2230a_100015193889_100011215305 [0,1,0,1,0,0|2,0,0]=4 32949 B13R1.9 OCCOCCN1CCC(CC1)F 269982a_100015193889_100011215305 [0,1,0,1,0,0|2,0,0]=4 32950 B13R1.9 OCCOCCN1CCC(CC1)F 34a_100015193889_100000692535 [0,1,0,1,0,0|2,0,0]=4 32951 B13R1.9 OCCOCCN1CCC(CC1)O 2230a_100025773856_100011215305 [0,1,0,1,0,0|2,0,0]=4 32952 B13R1.9 OCCOCCN1CCC(CC1)O 269982a_100025773856_100011215305 [0,1,0,1,0,0|2,0,0]=4 32953 B13R1.16 CC1CCCC(C1C)NCCCF 2230a_100000211273_100011934791 [0,1,0,1,0,0|2,0,0]=4 32954 B13R1.16 CC1CCCC(C1C)NCCCF 34a_100000211273_100011934791 [0,1,0,1,0,0|2,0,0]=4 32955 B13R1.16 CC1CCCC(C1C)NCCCO 2230a_100000211273_100000230001 [0,1,0,1,0,0|1,0,0]=3 32956 B13R1.16 CC1CCCC(C1C)NCCCO 34a_100000211273_100000230001 [0,1,0,1,0,0|1,0,0]=3 32957 B13R1.16 CC1CCCC(C1C)OCCCF 34a_100011217532_100011934791 [0,1,0,1,0,0|2,0,0]=4 32958 B13R1.16 CC1CCCC(C1C)OCCCF 7a_100011217532_100011934791 [0,1,0,1,0,0|2,0,0]=4 32959 B13R1.16 CC1CCCC(C1C)OCCCO 34a_100011217532_100000230001 [0,1,0,1,0,0|1,0,0]=3 32960 B13R1.16 CC1CCCC(C1C)OCCCO 7a_100011217532_100011215043 [0,1,0,1,0,0|1,0,0]=3 32961 B13R1.16 CCCCNC1CCCC(C1C)C 2230a_100000211273_100000210211 [0,1,0,1,0,0|2,0,0]=4 32962 B13R1.16 CCCCNC1CCCC(C1C)C 34a_100000211273_100000210210 [0,1,0,1,0,0|2,0,0]=4 32963 B13R1.16 CCCCOC1CCCC(C1C)C 34a_100011217532_100000210210 [0,1,0,1,0,0|2,0,0]=4 32964 B13R1.16 CCCCOC1CCCC(C1C)C 7a_100011217532_100000210211 [0,1,0,1,0,0|2,0,0]=4 32965 B13R1.91 CC(CO)OC1CCCCC1CN 34a_100011216029_100012180447 [0,1,0,1,0,0|2,0,0]=4 32966 B13R1.91 CCC(=O)CN1CCCCC1CO 269982a_100000210821_100000747405 [0,1,0,1,0,0|1,0,1]=4 32967 B13R1.91 CCC(C)CN1CCCCC1CC 2230a_100000210034_100000748023 [0,1,0,1,0,0|2,0,0]=4 32968 B13R1.91 CCC(C)CN1CCCCC1CC 269982a_100000210034_100000748023 [0,1,0,1,0,0|2,0,0]=4 32969 B13R1.91 CCC(C)CN1CCCCC1CC 270004a_100000210034_100000243153 [0,1,0,1,0,0|2,0,0]=4 32970 B13R1.91 CCC(C)CN1CCCCC1CC 34a_100000210034_100000748023 [0,1,0,1,0,0|2,0,0]=4 32971 B13R1.91 CCC(C)CN1CCCCC1CO 2230a_100000210821_100000748023 [0,1,0,1,0,0|1,0,0]=3 32972 B13R1.91 CCC(C)CN1CCCCC1CO 269982a_100000210821_100000748023 [0,1,0,1,0,0|1,0,0]=3 32973 B13R1.91 CCC(C)CN1CCCCC1CO 34a_100000210821_100000748023 [0,1,0,1,0,0|1,0,0]=3 32974 B13R1.91 CCC(C)CN1CCOC[C@H]1CO 2230a_100000717676_100000748023 [0,1,0,1,0,0|2,0,0]=4 32975 B13R1.91 CCC(C)CN1CCOC[C@H]1CO 269982a_100000717676_100000748023 [0,1,0,1,0,0|2,0,0]=4 32976 B13R1.91 CCC(C)CN1CCOC[C@H]1CO 270004a_100000717676_100000243153 [0,1,0,1,0,0|2,0,0]=4 32977 B13R1.91 CCC(C)CN1CCOC[C@H]1CO 34a_100000717676_100000748023 [0,1,0,1,0,0|2,0,0]=4 32978 B13R1.91 CCC(C)NC1CCCCC1CC 269862a_100000209981_100000757040 [0,1,0,1,0,0|2,0,0]=4 32979 B13R1.91 CCC(C)NC1CCCCC1CC 270004a_100000209981_100000757040 [0,1,0,1,0,0|2,0,0]=4 32980 B13R1.91 CCC(C)NC1CCCCC1CO 270004a_100000209981_100009861125 [0,1,0,1,0,0|1,0,0]=3 32981 B13R1.91 CCC(C)NC1CCOCC1CO 2230a_214813039666_100000758301 [0,1,0,1,0,0|2,0,0]=4 32982 B13R1.91 CCC(C)NC1CCOCC1CO 34a_214813039666_100011215416 [0,1,0,1,0,0|2,0,0]=4 32983 B13R1.91 CCC(C)OC1CCCCC1CC 34a_100000210738_100011215416 [0,1,0,1,0,0|2,0,0]=4 32984 B13R1.91 CCC(C)OC1CCCCC1CC 7a_100000210738_100000758301 [0,1,0,1,0,0|2,0,0]=4 32985 B13R1.91 CCC(C)OC1CCCCC1CN 34a_100011216029_100011215416 [0,1,0,1,0,0|2,0,0]=4 32986 B13R1.91 CCC(O)CN1CCCCC1CC 2230a_100000210034_100011218378 [0,1,0,1,0,0|2,0,0]=4 32987 B13R1.91 CCC(O)CN1CCCCC1CC 269982a_100000210034_100011218378 [0,1,0,1,0,0|2,0,0]=4 32988 B13R1.91 CCC(O)CN1CCCCC1CC 34a_100000210034_100011218378 [0,1,0,1,0,0|2,0,0]=4 32989 B13R1.91 CCC(O)CN1CCCCC1CO 2230a_100000210821_100011218378 [0,1,0,1,0,0|1,0,0]=3 32990 B13R1.91 CCC(O)CN1CCCCC1CO 269982a_100000210821_100011218378 [0,1,0,1,0,0|1,0,0]=3 32991 B13R1.91 CCC(O)CN1CCCCC1CO 34a_100000210821_100011218378 [0,1,0,1,0,0|1,0,0]=3 32992 B13R1.91 CCC(O)CN1CCOC[C@H]1CO 2230a_100000717676_100011218378 [0,1,0,1,0,0|2,0,0]=4 32993 B13R1.91 CCC(O)CN1CCOC[C@H]1CO 269982a_100000717676_100011218378 [0,1,0,1,0,0|2,0,0]=4 32994 B13R1.91 CCC(O)CN1CCOC[C@H]1CO 34a_100000717676_100011218378 [0,1,0,1,0,0|2,0,0]=4 32995 B13R1.91 CCC1CCCCC1N[C@H](C)CF 269862a_100102880703_100000757040 [0,1,0,1,0,0|2,0,0]=4 32996 B13R1.91 CCC1CCCCC1N[C@H](C)CF 270004a_100102880703_100000757040 [0,1,0,1,0,0|2,0,0]=4 32997 B13R1.91 CCC1CCCCC1N[C@H](C)CO 269862a_100000737577_100000757040 [0,1,0,1,0,0|1,0,0]=3 32998 B13R1.91 CCC1CCCCC1N[C@H](C)CO 270004a_100000737577_100000757040 [0,1,0,1,0,0|1,0,0]=3 32999 B13R1.91 CCC1CCCCC1OC(C)CO 34a_100000210738_100012180447 [0,1,0,1,0,0|1,0,0]=3 33000 B13R1.91 CCC1CCCCC1OC(C)CO 7a_100000210738_100012180447 [0,1,0,1,0,0|1,0,0]=3 33001 B13R1.91 CCC1CCCCN1CC(O)CO 2230a_100000210034_100011219619 [0,1,0,1,0,0|1,0,0]=3 33002 B13R1.91 CCC1CCCCN1CC(O)CO 34a_100000210034_100011219619 [0,1,0,1,0,0|1,0,0]=3 33003 B13R1.91 CCC1CCCCN1C[C@@H](C)CC 2230a_100000210034_100009816398 [0,1,0,1,0,0|2,0,0]=4 33004 B13R1.91 CCC1CCCCN1C[C@@H](C)CC 269982a_100000210034_100009816398 [0,1,0,1,0,0|2,0,0]=4 33005 B13R1.91 CCC1CCCCN1C[C@@H](C)CC 34a_100000210034_100009816398 [0,1,0,1,0,0|2,0,0]=4 33006 B13R1.91 CCC1CCCCN1C[C@@H](C)CO 2230a_100000210034_100000059175 [0,1,0,1,0,0|1,0,0]=3 33007 B13R1.91 CCC1CCCCN1C[C@@H](C)CO 269982a_100000210034_100000059175 [0,1,0,1,0,0|1,0,0]=3 33008 B13R1.91 CCC1CCCCN1C[C@@H](C)CO 34a_100000210034_100000059175 [0,1,0,1,0,0|1,0,0]=3 33009 B13R1.91 CCC1CCCCN1C[C@@H](O)CF 2230a_100000210034_100015614560 [0,1,0,1,0,0|2,0,0]=4 33010 B13R1.91 CCC1CCCCN1C[C@@H](O)CF 34a_100000210034_100015614560 [0,1,0,1,0,0|2,0,0]=4 33011 B13R1.91 CCC1CCCCN1C[C@@H](O)CO 2230a_100000210034_100009815848 [0,1,0,1,0,0|1,0,0]=3 33012 B13R1.91 CCC1CCCCN1C[C@@H](O)CO 34a_100000210034_100009815848 [0,1,0,1,0,0|1,0,0]=3 33013 B13R1.91 CC[C@H](C)CN1CCCCC1CO 2230a_100000210821_100009816398 [0,1,0,1,0,0|1,0,0]=3 33014 B13R1.91 CC[C@H](C)CN1CCCCC1CO 269982a_100000210821_100009816398 [0,1,0,1,0,0|1,0,0]=3 33015 B13R1.91 CC[C@H](C)CN1CCCCC1CO 34a_100000210821_100009816398 [0,1,0,1,0,0|1,0,0]=3 33016 B13R1.91 CC[C@H](C)CN1CCOC[C@H]1CO 2230a_100000717676_100009816398 [0,1,0,1,0,0|2,0,0]=4 33017 B13R1.91 CC[C@H](C)CN1CCOC[C@H]1CO 269982a_100000717676_100009816398 [0,1,0,1,0,0|2,0,0]=4 33018 B13R1.91 CC[C@H](C)CN1CCOC[C@H]1CO 34a_100000717676_100009816398 [0,1,0,1,0,0|2,0,0]=4 33019 B13R1.91 CC[C@H]1COCCN1CC(O)CO 2230a_100016988097_100011219619 [0,1,0,1,0,0|2,0,0]=4 33020 B13R1.91 CC[C@H]1COCCN1CC(O)CO 34a_100016988097_100011219619 [0,1,0,1,0,0|2,0,0]=4 33021 B13R1.91 CC[C@H]1COCCN1C[C@@H](C)CO 2230a_100016988097_100000059175 [0,1,0,1,0,0|2,0,0]=4 33022 B13R1.91 CC[C@H]1COCCN1C[C@@H](C)CO 269982a_100016988097_100000059175 [0,1,0,1,0,0|2,0,0]=4 33023 B13R1.91 CC[C@H]1COCCN1C[C@@H](C)CO 34a_100016988097_100000059175 [0,1,0,1,0,0|2,0,0]=4 33024 B13R1.91 CC[C@H]1COCCN1C[C@@H](O)CO 2230a_100016988097_100009815848 [0,1,0,1,0,0|2,0,0]=4 33025 B13R1.91 CC[C@H]1COCCN1C[C@@H](O)CO 34a_100016988097_100009815848 [0,1,0,1,0,0|2,0,0]=4 33026 B13R1.91 CN[C@@H]1CCCC[C@H]1OC(C)CO 34a_100000708425_100012180447 [0,1,0,1,0,0|2,0,0]=4 33027 B13R1.91 COC1CCCCC1NC(C)CO 34a_100011208099_100012180447 [0,1,0,1,0,0|2,0,0]=4 33028 B13R1.91 COC1CCCCC1N[C@H](C)CO 270004a_100000737577_100000740605 [0,1,0,1,0,0|2,0,0]=4 33029 B13R1.91 CO[C@H]1CCCC[C@@H]1OC(C)CO 34a_200009815850_100012180447 [0,1,0,1,0,0|2,0,0]=4 33030 B13R1.91 CO[C@H]1CCCC[C@@H]1OC(C)CO 7a_200009815850_100012180447 [0,1,0,1,0,0|2,0,0]=4 33031 B13R1.91 C[C@@H](CO)CN1CCCCC1CO 2230a_100000210821_100000059175 [0,1,0,1,0,0|2,0,0]=4 33032 B13R1.91 C[C@@H](CO)CN1CCCCC1CO 269982a_100000210821_100000059175 [0,1,0,1,0,0|2,0,0]=4 33033 B13R1.91 C[C@@H](CO)CN1CCCCC1CO 34a_100000210821_100000059175 [0,1,0,1,0,0|2,0,0]=4 33034 B13R1.91 C[C@H](CF)NC1CCCCC1CO 270004a_100102880703_100009861125 [0,1,0,1,0,0|2,0,0]=4 33035 B13R1.91 C[C@H](CO)NC1CCCCC1CO 270004a_100000737577_100009861125 [0,1,0,1,0,0|2,0,0]=4 33036 B13R1.91 OCC(O)CN1CCCCC1CO 2230a_100000210821_100011219619 [0,1,0,1,0,0|2,0,0]=4 33037 B13R1.91 OCC(O)CN1CCCCC1CO 34a_100000210821_100011219619 [0,1,0,1,0,0|2,0,0]=4 33038 B13R1.91 OCC1CCCCN1C[C@@H](O)CF 2230a_100000210821_100015614560 [0,1,0,1,0,0|2,0,0]=4 33039 B13R1.91 OCC1CCCCN1C[C@@H](O)CF 34a_100000210821_100015614560 [0,1,0,1,0,0|2,0,0]=4 33040 B13R1.91 OCC1CCCCN1C[C@@H](O)CO 2230a_100000210821_100009815848 [0,1,0,1,0,0|2,0,0]=4 33041 B13R1.91 OCC1CCCCN1C[C@@H](O)CO 34a_100000210821_100009815848 [0,1,0,1,0,0|2,0,0]=4 33042 B13R1.382 CC(CO)N1CCCCC1CCO 2230a_100000211664_100012180447 [0,1,0,1,0,0|2,0,0]=4 33043 B13R1.382 CC(CO)N1CCCCC1CCO 34a_100000211664_100012180447 [0,1,0,1,0,0|2,0,0]=4 33044 B13R1.382 CCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210414 [0,1,0,1,0,0|1,0,1]=4 33045 B13R1.382 CCC(C)N1CCCCC1CCO 2230a_100000211664_100000758301 [0,1,0,1,0,0|1,0,0]=3 33046 B13R1.382 CCC(C)N1CCCCC1CCO 269982a_100000211664_100000758301 [0,1,0,1,0,0|1,0,0]=3 33047 B13R1.382 CCC(C)N1CCCCC1CCO 34a_100000211664_100011215416 [0,1,0,1,0,0|1,0,0]=3 33048 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|1,0,1]=4 33049 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|1,0,1]=4 33050 B13R1.382 CCCC1CCCCN1C(C)CC 2230a_100000701414_100000758301 [0,1,0,1,0,0|2,0,0]=4 33051 B13R1.382 CCCC1CCCCN1C(C)CC 269982a_100000701414_100000758301 [0,1,0,1,0,0|2,0,0]=4 33052 B13R1.382 CCCC1CCCCN1C(C)CC 34a_100000701414_100011215416 [0,1,0,1,0,0|2,0,0]=4 33053 B13R1.382 CCCC1CCCCN1C(C)CO 2230a_100000701414_100012180447 [0,1,0,1,0,0|1,0,0]=3 33054 B13R1.382 CCCC1CCCCN1C(C)CO 34a_100000701414_100012180447 [0,1,0,1,0,0|1,0,0]=3 33055 B13R1.382 CCCC1CCCCN1[C@H](C)CO 269982a_100000701414_100016084084 [0,1,0,1,0,0|1,0,0]=3 33056 B13R1.382 CCCC1COCCN1C(C)CO 2230a_102495339903_100012180447 [0,1,0,1,0,0|2,0,0]=4 33057 B13R1.382 CCCC1COCCN1C(C)CO 34a_102495339903_100012180447 [0,1,0,1,0,0|2,0,0]=4 33058 B13R1.382 CCCC1COCCN1[C@H](C)CO 269982a_102495339903_100016084084 [0,1,0,1,0,0|2,0,0]=4 33059 B13R1.382 CCNC1CCCCC1C(C)CC 269862a_100015525214_100011216798 [0,1,0,1,0,0|2,0,0]=4 33060 B13R1.382 COC(C)N1CCCCC1CCO 269982a_100000211664_100009879195 [0,1,0,1,0,0|2,0,0]=4 33061 B13R1.382 COCC1CCCCN1C(C)CO 2230a_100015184032_100012180447 [0,1,0,1,0,0|2,0,0]=4 33062 B13R1.382 COCC1CCCCN1C(C)CO 34a_100015184032_100012180447 [0,1,0,1,0,0|2,0,0]=4 33063 B13R1.382 COCC1CCCCN1[C@H](C)CO 269982a_100015184032_100016084084 [0,1,0,1,0,0|2,0,0]=4 33064 B13R1.382 C[C@H](CO)N1CCCCC1CCO 269982a_100000211664_100016084084 [0,1,0,1,0,0|2,0,0]=4 33065 B13R1.393 CCCC1CCCC1NC(C)CC 269862a_100000209981_100000723119 [0,1,0,1,0,0|2,0,0]=4 33066 B13R1.393 CCCC1CCCC1NC(C)CC 270004a_100000209981_100000723119 [0,1,0,1,0,0|2,0,0]=4 33067 B13R1.393 CCCC1CCCC1N[C@H](C)CF 269862a_100102880703_100000723119 [0,1,0,1,0,0|2,0,0]=4 33068 B13R1.393 CCCC1CCCC1N[C@H](C)CF 270004a_100102880703_100000723119 [0,1,0,1,0,0|2,0,0]=4 33069 B13R1.393 CCCC1CCCC1N[C@H](C)CO 269862a_100000737577_100000723119 [0,1,0,1,0,0|1,0,0]=3 33070 B13R1.393 CCCC1CCCC1N[C@H](C)CO 270004a_100000737577_100000723119 [0,1,0,1,0,0|1,0,0]=3 33071 B13R1.393 COC[C@@H]1CCCN1CC(O)CO 2230a_100020646714_100011219619 [0,1,0,1,0,0|2,0,0]=4 33072 B13R1.393 COC[C@@H]1CCCN1CC(O)CO 34a_100020646714_100011219619 [0,1,0,1,0,0|2,0,0]=4 33073 B13R1.393 COC[C@@H]1CCCN1C[C@@H](C)CO 2230a_100020646714_100000059175 [0,1,0,1,0,0|2,0,0]=4 33074 B13R1.393 COC[C@@H]1CCCN1C[C@@H](C)CO 269982a_100020646714_100000059175 [0,1,0,1,0,0|2,0,0]=4 33075 B13R1.393 COC[C@@H]1CCCN1C[C@@H](C)CO 34a_100020646714_100000059175 [0,1,0,1,0,0|2,0,0]=4 33076 B13R1.393 COC[C@@H]1CCCN1C[C@@H](O)CO 2230a_100020646714_100009815848 [0,1,0,1,0,0|2,0,0]=4 33077 B13R1.393 COC[C@@H]1CCCN1C[C@@H](O)CO 34a_100020646714_100009815848 [0,1,0,1,0,0|2,0,0]=4 33078 B13R1.528 CC(CN)COC1CCCCC1O 34a_100000744482_100000038908 [0,1,0,1,0,0|2,0,0]=4 33079 B13R1.528 CC(CO)CNC1CCCCC1C 269862a_100000744482_100000210921 [0,1,0,1,0,0|1,0,0]=3 33080 B13R1.528 CC(CO)CNC1CCCCC1F 34a_100000744482_100015423560 [0,1,0,1,0,0|2,0,0]=4 33081 B13R1.528 CC(CO)CNC1CCCCC1O 34a_100000744482_100000038908 [0,1,0,1,0,0|2,0,0]=4 33082 B13R1.528 CC(CO)NCC1CCCCC1O 34a_100011216029_100012180447 [0,1,0,1,0,0|2,0,0]=4 33083 B13R1.528 CC(CO)NCC1CCCCN1C 34a_100011228421_100012180447 [0,1,0,1,0,0|2,0,0]=4 33084 B13R1.528 CC(CO)OCC1CCCCN1C 34a_100000225079_100012180447 [0,1,0,1,0,0|2,0,0]=4 33085 B13R1.528 CC(CO)SCC1CCCCN1C 62a_100012180447_100015185383 [0,1,0,1,0,0|2,0,0]=4 33086 B13R1.528 CC1CCCCC1NCC(O)CO 2230a_100000211402_100011219619 [0,1,0,1,0,0|1,0,0]=3 33087 B13R1.528 CC1CCCCC1NCC(O)CO 34a_100000211402_100011219619 [0,1,0,1,0,0|1,0,0]=3 33088 B13R1.528 CC1CCCCC1NC[C@@H](C)CO 2230a_100000211402_100000059175 [0,1,0,1,0,0|1,0,0]=3 33089 B13R1.528 CC1CCCCC1NC[C@@H](C)CO 34a_100000211402_100000059175 [0,1,0,1,0,0|1,0,0]=3 33090 B13R1.528 CC1CCCCC1NC[C@@H](F)CO 269862a_100015665980_100000210921 [0,1,0,1,0,0|1,0,0]=3 33091 B13R1.528 CC1CCCCC1NC[C@@H](F)CO 270004a_100015665980_100000210921 [0,1,0,1,0,0|1,0,0]=3 33092 B13R1.528 CC1CCCCC1NC[C@@H](O)CF 2230a_100000211402_100015614560 [0,1,0,1,0,0|2,0,0]=4 33093 B13R1.528 CC1CCCCC1NC[C@@H](O)CF 34a_100000211402_100015614560 [0,1,0,1,0,0|2,0,0]=4 33094 B13R1.528 CC1CCCCC1NC[C@@H](O)CO 2230a_100000211402_100009815848 [0,1,0,1,0,0|1,0,0]=3 33095 B13R1.528 CC1CCCCC1NC[C@@H](O)CO 34a_100000211402_100009815848 [0,1,0,1,0,0|1,0,0]=3 33096 B13R1.528 CC1CCCCC1NC[C@H](O)CO 269862a_100020644852_100000210921 [0,1,0,1,0,0|1,0,0]=3 33097 B13R1.528 CC1CCCCC1OCC(O)CO 34a_100000211207_100011219619 [0,1,0,1,0,0|1,0,0]=3 33098 B13R1.528 CC1CCCCC1OCC(O)CO 7a_100000211207_100011219619 [0,1,0,1,0,0|1,0,0]=3 33099 B13R1.528 CC1CCCCC1OC[C@@H](C)CO 34a_100000211207_100000059175 [0,1,0,1,0,0|1,0,0]=3 33100 B13R1.528 CC1CCCCC1OC[C@@H](C)CO 7a_100000211207_100000059175 [0,1,0,1,0,0|1,0,0]=3 33101 B13R1.528 CC1CCCCC1OC[C@@H](O)CF 34a_100000211207_100015614560 [0,1,0,1,0,0|2,0,0]=4 33102 B13R1.528 CC1CCCCC1OC[C@@H](O)CF 7a_100000211207_100015614560 [0,1,0,1,0,0|2,0,0]=4 33103 B13R1.528 CC1CCCCC1OC[C@@H](O)CO 34a_100000211207_100009815848 [0,1,0,1,0,0|1,0,0]=3 33104 B13R1.528 CC1CCCCC1OC[C@@H](O)CO 7a_100000211207_100009815848 [0,1,0,1,0,0|1,0,0]=3 33105 B13R1.528 CC1CCNCC1OCC(O)CO 34a_100000696640_100011219619 [0,1,0,1,0,0|2,0,0]=4 33106 B13R1.528 CC1CCNCC1OC[C@@H](C)CO 34a_100000696640_100000059175 [0,1,0,1,0,0|2,0,0]=4 33107 B13R1.528 CC1CCNCC1OC[C@@H](O)CO 34a_100000696640_100009815848 [0,1,0,1,0,0|2,0,0]=4 33108 B13R1.528 CC1CNCCC1NC[C@@H](F)CO 270004a_100015665980_100000703950 [0,1,0,1,0,0|2,0,0]=4 33109 B13R1.528 CC1CNCCC1OCC(O)CO 34a_100011998114_100011219619 [0,1,0,1,0,0|2,0,0]=4 33110 B13R1.528 CC1CNCCC1OC[C@@H](C)CO 34a_100011998114_100000059175 [0,1,0,1,0,0|2,0,0]=4 33111 B13R1.528 CC1CNCCC1OC[C@@H](O)CO 34a_100011998114_100009815848 [0,1,0,1,0,0|2,0,0]=4 33112 B13R1.528 CC1COCCC1NC[C@@H](F)CO 270004a_100015665980_100000755695 [0,1,0,1,0,0|2,0,0]=4 33113 B13R1.528 CCC(=O)COC1CCCCC1O 34a_100000725409_100000038908 [0,1,0,1,0,0|1,0,1]=4 33114 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000038908_100000747405 [0,1,0,1,0,0|1,0,1]=4 33115 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000747405_100000038908 [0,1,0,1,0,0|1,0,1]=4 33116 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [0,1,0,1,0,0|1,0,1]=4 33117 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [0,1,0,1,0,0|1,0,1]=4 33118 B13R1.528 CCC(C)CNC1CCCCC1C 2230a_100000211402_100000748023 [0,1,0,1,0,0|2,0,0]=4 33119 B13R1.528 CCC(C)CNC1CCCCC1C 269862a_100020588543_100000210921 [0,1,0,1,0,0|2,0,0]=4 33120 B13R1.528 CCC(C)CNC1CCCCC1C 270004a_100000211402_100000243153 [0,1,0,1,0,0|2,0,0]=4 33121 B13R1.528 CCC(C)CNC1CCCCC1C 270004a_100020588543_100000210921 [0,1,0,1,0,0|2,0,0]=4 33122 B13R1.528 CCC(C)CNC1CCCCC1C 34a_100000211402_100000748023 [0,1,0,1,0,0|2,0,0]=4 33123 B13R1.528 CCC(C)CN[C@@H]1CCCC[C@@H]1O 270004a_100015191688_100000243153 [0,1,0,1,0,0|1,0,0]=3 33124 B13R1.528 CCC(C)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000748023 [0,1,0,1,0,0|2,0,0]=4 33125 B13R1.528 CCC(C)CN[C@@H]1CCCC[C@H]1F 270004a_100015195156_100000243153 [0,1,0,1,0,0|2,0,0]=4 33126 B13R1.528 CCC(C)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000748023 [0,1,0,1,0,0|2,0,0]=4 33127 B13R1.528 CCC(C)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000748023 [0,1,0,1,0,0|2,0,0]=4 33128 B13R1.528 CCC(C)CN[C@@H]1CCOC[C@@H]1O 270004a_100016994285_100000243153 [0,1,0,1,0,0|2,0,0]=4 33129 B13R1.528 CCC(C)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000748023 [0,1,0,1,0,0|2,0,0]=4 33130 B13R1.528 CCC(C)CN[C@H]1COCC[C@@H]1O 270004a_100015739063_100000243153 [0,1,0,1,0,0|2,0,0]=4 33131 B13R1.528 CCC(C)COC1CCCCC1C 34a_100000211207_100000748023 [0,1,0,1,0,0|2,0,0]=4 33132 B13R1.528 CCC(C)COC1CCCCC1C 7a_100000211207_100000748023 [0,1,0,1,0,0|2,0,0]=4 33133 B13R1.528 CCC(C)COC1CCCCC1Cl 34a_100000038908_100000748023 [0,1,0,1,0,0|2,0,0]=4 33134 B13R1.528 CCC(C)COC1CCCCC1Cl 7a_100000038908_100000748023 [0,1,0,1,0,0|2,0,0]=4 33135 B13R1.528 CCC(C)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000748023 [0,1,0,1,0,0|2,0,0]=4 33136 B13R1.528 CCC(C)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000748023 [0,1,0,1,0,0|2,0,0]=4 33137 B13R1.528 CCC(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000748023 [0,1,0,1,0,0|2,0,0]=4 33138 B13R1.528 CCC(C)CSC1CCCCC1F 62a_100000748023_100015423560 [0,1,0,1,0,0|2,0,0]=4 33139 B13R1.528 CCC(C)CSC1CCCCC1F 62a_100015423560_100000748023 [0,1,0,1,0,0|2,0,0]=4 33140 B13R1.528 CCC(C)CSC1CCCCC1O 62a_100000038908_100000748023 [0,1,0,1,0,0|1,0,0]=3 33141 B13R1.528 CCC(C)CSC1CCCCC1O 62a_100000748023_100000038908 [0,1,0,1,0,0|1,0,0]=3 33142 B13R1.528 CCC(C)NCC1CCCCC1O 34a_100011216029_100011215416 [0,1,0,1,0,0|1,0,0]=3 33143 B13R1.528 CCC(O)CNC1CCCCC1C 2230a_100000211402_100011218378 [0,1,0,1,0,0|2,0,0]=4 33144 B13R1.528 CCC(O)CNC1CCCCC1C 269862a_100011218483_100000210921 [0,1,0,1,0,0|2,0,0]=4 33145 B13R1.528 CCC(O)CNC1CCCCC1C 270004a_100011218483_100000210921 [0,1,0,1,0,0|2,0,0]=4 33146 B13R1.528 CCC(O)CNC1CCCCC1C 34a_100000211402_100011218378 [0,1,0,1,0,0|2,0,0]=4 33147 B13R1.528 CCC(O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218378 [0,1,0,1,0,0|2,0,0]=4 33148 B13R1.528 CCC(O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011218378 [0,1,0,1,0,0|2,0,0]=4 33149 B13R1.528 CCC(O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011218378 [0,1,0,1,0,0|2,0,0]=4 33150 B13R1.528 CCC(O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011218378 [0,1,0,1,0,0|2,0,0]=4 33151 B13R1.528 CCC(O)COC1CCCCC1C 34a_100000211207_100011218378 [0,1,0,1,0,0|2,0,0]=4 33152 B13R1.528 CCC(O)COC1CCCCC1C 7a_100000211207_100011218378 [0,1,0,1,0,0|2,0,0]=4 33153 B13R1.528 CCC(O)COC1CCCCC1Cl 34a_100000038908_100011218378 [0,1,0,1,0,0|2,0,0]=4 33154 B13R1.528 CCC(O)COC1CCCCC1Cl 7a_100000038908_100011218378 [0,1,0,1,0,0|2,0,0]=4 33155 B13R1.528 CCC(O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011218378 [0,1,0,1,0,0|2,0,0]=4 33156 B13R1.528 CCC(O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011218378 [0,1,0,1,0,0|2,0,0]=4 33157 B13R1.528 CCC(O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218378 [0,1,0,1,0,0|2,0,0]=4 33158 B13R1.528 CCC(O)CSC1CCCCC1F 62a_100011218378_100015423560 [0,1,0,1,0,0|2,0,0]=4 33159 B13R1.528 CCC(O)CSC1CCCCC1F 62a_100015423560_100011218378 [0,1,0,1,0,0|2,0,0]=4 33160 B13R1.528 CCC(O)CSC1CCCCC1O 62a_100000038908_100011218378 [0,1,0,1,0,0|1,0,0]=3 33161 B13R1.528 CCC(O)CSC1CCCCC1O 62a_100011218378_100000038908 [0,1,0,1,0,0|1,0,0]=3 33162 B13R1.528 CC[C@H](C)CNC1CCCCC1C 2230a_100000211402_100009816398 [0,1,0,1,0,0|2,0,0]=4 33163 B13R1.528 CC[C@H](C)CNC1CCCCC1C 34a_100000211402_100009816398 [0,1,0,1,0,0|2,0,0]=4 33164 B13R1.528 CC[C@H](C)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009816398 [0,1,0,1,0,0|2,0,0]=4 33165 B13R1.528 CC[C@H](C)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009816398 [0,1,0,1,0,0|2,0,0]=4 33166 B13R1.528 CC[C@H](C)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100009816398 [0,1,0,1,0,0|2,0,0]=4 33167 B13R1.528 CC[C@H](C)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100009816398 [0,1,0,1,0,0|2,0,0]=4 33168 B13R1.528 CC[C@H](C)COC1CCCCC1C 34a_100000211207_100009816398 [0,1,0,1,0,0|2,0,0]=4 33169 B13R1.528 CC[C@H](C)COC1CCCCC1C 7a_100000211207_100009816398 [0,1,0,1,0,0|2,0,0]=4 33170 B13R1.528 CC[C@H](C)COC1CCCCC1Cl 34a_100000038908_100009816398 [0,1,0,1,0,0|2,0,0]=4 33171 B13R1.528 CC[C@H](C)COC1CCCCC1Cl 7a_100000038908_100009816398 [0,1,0,1,0,0|2,0,0]=4 33172 B13R1.528 CC[C@H](C)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009816398 [0,1,0,1,0,0|2,0,0]=4 33173 B13R1.528 CC[C@H](C)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009816398 [0,1,0,1,0,0|2,0,0]=4 33174 B13R1.528 CC[C@H](C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009816398 [0,1,0,1,0,0|2,0,0]=4 33175 B13R1.528 CC[C@H](C)CSC1CCCCC1F 62a_100009816398_100015423560 [0,1,0,1,0,0|2,0,0]=4 33176 B13R1.528 CC[C@H](C)CSC1CCCCC1F 62a_100015423560_100009816398 [0,1,0,1,0,0|2,0,0]=4 33177 B13R1.528 CC[C@H](C)CSC1CCCCC1O 62a_100000038908_100009816398 [0,1,0,1,0,0|1,0,0]=3 33178 B13R1.528 CC[C@H](C)CSC1CCCCC1O 62a_100009816398_100000038908 [0,1,0,1,0,0|1,0,0]=3 33179 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|1,0,1]=4 33180 B13R1.528 COC(C)COC1CCCCC1O 34a_100000690652_100000038908 [0,1,0,1,0,0|2,0,0]=4 33181 B13R1.528 C[C@@H](CO)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000059175 [0,1,0,1,0,0|2,0,0]=4 33182 B13R1.528 C[C@@H](CO)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000059175 [0,1,0,1,0,0|2,0,0]=4 33183 B13R1.528 C[C@@H](CO)COC1CCCCC1Cl 34a_100000038908_100000059175 [0,1,0,1,0,0|2,0,0]=4 33184 B13R1.528 C[C@@H](CO)COC1CCCCC1Cl 7a_100000038908_100000059175 [0,1,0,1,0,0|2,0,0]=4 33185 B13R1.528 C[C@@H](CO)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000059175 [0,1,0,1,0,0|2,0,0]=4 33186 B13R1.528 C[C@@H](CO)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000059175 [0,1,0,1,0,0|2,0,0]=4 33187 B13R1.528 C[C@@H](CO)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000059175 [0,1,0,1,0,0|2,0,0]=4 33188 B13R1.528 C[C@@H](CO)CSC1CCCCC1F 62a_100000059175_100015423560 [0,1,0,1,0,0|2,0,0]=4 33189 B13R1.528 C[C@@H](CO)CSC1CCCCC1F 62a_100015423560_100000059175 [0,1,0,1,0,0|2,0,0]=4 33190 B13R1.528 C[C@@H](CO)CSC1CCCCC1O 62a_100000038908_100000059175 [0,1,0,1,0,0|2,0,0]=4 33191 B13R1.528 C[C@@H](CO)CSC1CCCCC1O 62a_100000059175_100000038908 [0,1,0,1,0,0|2,0,0]=4 33192 B13R1.528 C[C@H](CO)SCC1CCCCN1C 62a_100015185383_100016084084 [0,1,0,1,0,0|2,0,0]=4 33193 B13R1.528 C[C@H](CO)SCC1CCCCN1C 62a_100016084084_100015185383 [0,1,0,1,0,0|2,0,0]=4 33194 B13R1.528 NC[C@@H](F)COC1CCCCC1O 34a_100015665980_100000038908 [0,1,0,1,0,0|2,0,0]=4 33195 B13R1.528 N[C@@H]1CCCC[C@@H]1OCC(O)CO 34a_100015191688_100011219619 [0,1,0,1,0,0|2,0,0]=4 33196 B13R1.528 N[C@@H]1CCCC[C@@H]1OC[C@@H](O)CO 34a_100015191688_100009815848 [0,1,0,1,0,0|2,0,0]=4 33197 B13R1.528 OC1CCCCC1OCC(Cl)CCl 34a_100000033668_100000038908 [0,1,0,1,0,0|2,0,0]=4 33198 B13R1.528 OC1CCCCC1SC[C@@H](O)CF 62a_100000038908_100015614560 [0,1,0,1,0,0|2,0,0]=4 33199 B13R1.528 OC1CCCCC1SC[C@@H](O)CF 62a_100015614560_100000038908 [0,1,0,1,0,0|2,0,0]=4 33200 B13R1.528 OCC(O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011219619 [0,1,0,1,0,0|2,0,0]=4 33201 B13R1.528 OCC(O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011219619 [0,1,0,1,0,0|2,0,0]=4 33202 B13R1.528 OCC(O)COC1CCCCC1Cl 34a_100000038908_100011219619 [0,1,0,1,0,0|2,0,0]=4 33203 B13R1.528 OCC(O)COC1CCCCC1Cl 7a_100000038908_100011219619 [0,1,0,1,0,0|2,0,0]=4 33204 B13R1.528 OCC(O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011219619 [0,1,0,1,0,0|2,0,0]=4 33205 B13R1.528 OCC(O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011219619 [0,1,0,1,0,0|2,0,0]=4 33206 B13R1.528 OCC(O)CSC1CCCCC1F 62a_100011219619_100015423560 [0,1,0,1,0,0|2,0,0]=4 33207 B13R1.528 OCC(O)CSC1CCCCC1F 62a_100015423560_100011219619 [0,1,0,1,0,0|2,0,0]=4 33208 B13R1.528 OCC(O)CSC1CCCCC1O 62a_100000038908_100011219619 [0,1,0,1,0,0|2,0,0]=4 33209 B13R1.528 OCC(O)CSC1CCCCC1O 62a_100011219619_100000038908 [0,1,0,1,0,0|2,0,0]=4 33210 B13R1.528 OC[C@H](F)CNC1CCCCC1F 34a_100015665980_100015423560 [0,1,0,1,0,0|2,0,0]=4 33211 B13R1.528 OC[C@H](F)CNC1CCCCC1O 34a_100015665980_100000038908 [0,1,0,1,0,0|2,0,0]=4 33212 B13R1.528 OC[C@H](O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009815848 [0,1,0,1,0,0|2,0,0]=4 33213 B13R1.528 OC[C@H](O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009815848 [0,1,0,1,0,0|2,0,0]=4 33214 B13R1.528 OC[C@H](O)COC1CCCCC1Cl 34a_100000038908_100009815848 [0,1,0,1,0,0|2,0,0]=4 33215 B13R1.528 OC[C@H](O)COC1CCCCC1Cl 7a_100000038908_100009815848 [0,1,0,1,0,0|2,0,0]=4 33216 B13R1.528 OC[C@H](O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009815848 [0,1,0,1,0,0|2,0,0]=4 33217 B13R1.528 OC[C@H](O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009815848 [0,1,0,1,0,0|2,0,0]=4 33218 B13R1.528 OC[C@H](O)CSC1CCCCC1F 62a_100009815848_100015423560 [0,1,0,1,0,0|2,0,0]=4 33219 B13R1.528 OC[C@H](O)CSC1CCCCC1F 62a_100015423560_100009815848 [0,1,0,1,0,0|2,0,0]=4 33220 B13R1.528 OC[C@H](O)CSC1CCCCC1O 62a_100000038908_100009815848 [0,1,0,1,0,0|2,0,0]=4 33221 B13R1.528 OC[C@H](O)CSC1CCCCC1O 62a_100009815848_100000038908 [0,1,0,1,0,0|2,0,0]=4 33222 B13R1.536 CC(CF)OCCCC1CCCC1 34a_100016041109_100011713738 [0,1,0,1,0,0|2,0,0]=4 33223 B13R1.536 CC(CF)OCCCC1CCCC1 7a_100016041109_100011713738 [0,1,0,1,0,0|2,0,0]=4 33224 B13R1.536 CC(CN)COCCC1CCCC1 34a_100000744482_100000760354 [0,1,0,1,0,0|2,0,0]=4 33225 B13R1.536 CC(CN)OCCCC1CCCC1 34a_100000210904_100011713738 [0,1,0,1,0,0|2,0,0]=4 33226 B13R1.536 CC(CO)CCNCC1CCCC1 2230a_106354213184_100000740388 [0,1,0,1,0,0|1,0,0]=3 33227 B13R1.536 CC(CO)CCNCC1CCCC1 269862a_106354213184_100000746403 [0,1,0,1,0,0|1,0,0]=3 33228 B13R1.536 CC(CO)CCNCC1CCCC1 34a_106354213184_100000740388 [0,1,0,1,0,0|1,0,0]=3 33229 B13R1.536 CC(CO)CCNCC1CCCO1 2230a_106354213184_100000203698 [0,1,0,1,0,0|2,0,0]=4 33230 B13R1.536 CC(CO)CCNCC1CCOC1 2230a_106354213184_100000702531 [0,1,0,1,0,0|2,0,0]=4 33231 B13R1.536 CC(CO)CCNCC1CCOC1 34a_106354213184_100011261433 [0,1,0,1,0,0|2,0,0]=4 33232 B13R1.536 CC(CO)CNCCC1CCCC1 34a_100000744482_100000760354 [0,1,0,1,0,0|1,0,0]=3 33233 B13R1.536 CC(CO)NCCCC1CCCC1 2230a_100000736752_100012180447 [0,1,0,1,0,0|1,0,0]=3 33234 B13R1.536 CC(CO)NCCCC1CCCC1 34a_100000736752_100012180447 [0,1,0,1,0,0|1,0,0]=3 33235 B13R1.536 CC(CO)NCCOC1CCCC1 34a_100000741755_100012180447 [0,1,0,1,0,0|2,0,0]=4 33236 B13R1.536 CC(CO)OCCCC1CCCC1 34a_100011215328_100012180447 [0,1,0,1,0,0|1,0,0]=3 33237 B13R1.536 CC(CO)OCCCC1CCCC1 7a_100011215328_100012180447 [0,1,0,1,0,0|1,0,0]=3 33238 B13R1.536 CC(CO)OCCNC1CCCC1 34a_200000200444_100012180447 [0,1,0,1,0,0|2,0,0]=4 33239 B13R1.536 CC(CO)OCCOC1CCCC1 34a_100000738311_100012180447 [0,1,0,1,0,0|2,0,0]=4 33240 B13R1.536 CC(CO)OCCOC1CCCC1 7a_100000738311_100012180447 [0,1,0,1,0,0|2,0,0]=4 33241 B13R1.536 CC(CO)SCCCC1CCCC1 62a_100012180447_100011713738 [0,1,0,1,0,0|1,0,0]=3 33242 B13R1.536 CC(CO)SCCCN1CCCC1 62a_100012180447_100011445909 [0,1,0,1,0,0|2,0,0]=4 33243 B13R1.536 CCC(=O)CCCCC1OCCO1 1458a_100000210414_100000034956 [0,1,0,1,0,0|1,0,1]=4 33244 B13R1.536 CCC(C)CCCOC1CCCC1 7a_100011216074_100000179811 [0,1,0,1,0,0|2,0,0]=4 33245 B13R1.536 CCC(C)CCNCC1CCCC1 2230a_100020591266_100000740388 [0,1,0,1,0,0|2,0,0]=4 33246 B13R1.536 CCC(C)CCNCC1CCCC1 269862a_100020591266_100000746403 [0,1,0,1,0,0|2,0,0]=4 33247 B13R1.536 CCC(C)CCNCC1CCCO1 2230a_100020591266_100000203698 [0,1,0,1,0,0|1,0,0]=3 33248 B13R1.536 CCC(C)CCNCC1OCCO1 2230a_100020591266_100000755774 [0,1,0,1,0,0|2,0,0]=4 33249 B13R1.536 CCC(C)CCOCC1CCCC1 7a_100011215188_100000740388 [0,1,0,1,0,0|2,0,0]=4 33250 B13R1.536 CCC(C)CCOCC1CCCO1 7a_100011215188_100000203698 [0,1,0,1,0,0|1,0,0]=3 33251 B13R1.536 CCC(C)CCOCC1OCCO1 7a_100011215188_100000755774 [0,1,0,1,0,0|2,0,0]=4 33252 B13R1.536 CCC(C)CNCCC1CCCC1 2230a_100000739158_100000748023 [0,1,0,1,0,0|2,0,0]=4 33253 B13R1.536 CCC(C)CNCCC1CCCC1 2230a_100020588543_100000760354 [0,1,0,1,0,0|2,0,0]=4 33254 B13R1.536 CCC(C)CNCCC1CCCC1 270004a_100000739158_100000243153 [0,1,0,1,0,0|2,0,0]=4 33255 B13R1.536 CCC(C)CNCCC1CCCC1 34a_100000739158_100000748023 [0,1,0,1,0,0|2,0,0]=4 33256 B13R1.536 CCC(C)CNCCC1OCCO1 2230a_100000034215_100000748023 [0,1,0,1,0,0|2,0,0]=4 33257 B13R1.536 CCC(C)CNCCC1OCCO1 2230a_100020588543_100000740749 [0,1,0,1,0,0|2,0,0]=4 33258 B13R1.536 CCC(C)CNCCC1OCCO1 270004a_100000034215_100000243153 [0,1,0,1,0,0|2,0,0]=4 33259 B13R1.536 CCC(C)CNCCC1OCCO1 34a_100000034215_100000748023 [0,1,0,1,0,0|2,0,0]=4 33260 B13R1.536 CCC(C)COCCC1CCCC1 34a_100000749090_100000748023 [0,1,0,1,0,0|2,0,0]=4 33261 B13R1.536 CCC(C)COCCC1CCCC1 7a_100000749090_100000748023 [0,1,0,1,0,0|2,0,0]=4 33262 B13R1.536 CCC(C)CSCCC1CCCC1 62a_100000748023_100000760354 [0,1,0,1,0,0|2,0,0]=4 33263 B13R1.536 CCC(C)CSCCC1CCCC1 62a_100000760354_100000748023 [0,1,0,1,0,0|2,0,0]=4 33264 B13R1.536 CCC(C)CSCCC1OCCO1 62a_100000748023_100000740749 [0,1,0,1,0,0|2,0,0]=4 33265 B13R1.536 CCC(C)NCCCC1CCCC1 2230a_100000209981_100011713738 [0,1,0,1,0,0|2,0,0]=4 33266 B13R1.536 CCC(C)NCCCC1CCCC1 2230a_100000736752_100000758301 [0,1,0,1,0,0|2,0,0]=4 33267 B13R1.536 CCC(C)NCCCC1CCCC1 34a_100000736752_100011215416 [0,1,0,1,0,0|2,0,0]=4 33268 B13R1.536 CCC(C)NCCCC1OCCO1 2230a_100000209981_100000042513 [0,1,0,1,0,0|2,0,0]=4 33269 B13R1.536 CCC(C)OCCCC1CCCC1 34a_100011215328_100011215416 [0,1,0,1,0,0|2,0,0]=4 33270 B13R1.536 CCC(C)OCCCC1CCCC1 7a_100000210228_100011713738 [0,1,0,1,0,0|2,0,0]=4 33271 B13R1.536 CCC(C)OCCCC1CCCC1 7a_100011215328_100000758301 [0,1,0,1,0,0|2,0,0]=4 33272 B13R1.536 CCC(C)OCCCC1OCCO1 34a_100009871617_100011215416 [0,1,0,1,0,0|2,0,0]=4 33273 B13R1.536 CCC(C)OCCCC1OCCO1 7a_100000210228_100000042513 [0,1,0,1,0,0|2,0,0]=4 33274 B13R1.536 CCC(C)OCCCC1OCCO1 7a_100009871617_100000758301 [0,1,0,1,0,0|2,0,0]=4 33275 B13R1.536 CCC(C)SCCCC1CCCC1 62a_100000758301_100011713738 [0,1,0,1,0,0|2,0,0]=4 33276 B13R1.536 CCC(C)SCCCC1CCCC1 62a_100011713738_100000758301 [0,1,0,1,0,0|2,0,0]=4 33277 B13R1.536 CCC(C)SCCCC1OCCO1 62a_100000758301_100000042513 [0,1,0,1,0,0|2,0,0]=4 33278 B13R1.536 CCC(O)CNCCC1CCCC1 2230a_100000739158_100011218378 [0,1,0,1,0,0|2,0,0]=4 33279 B13R1.536 CCC(O)CNCCC1CCCC1 2230a_100011218483_100000760354 [0,1,0,1,0,0|2,0,0]=4 33280 B13R1.536 CCC(O)CNCCC1CCCC1 34a_100000739158_100011218378 [0,1,0,1,0,0|2,0,0]=4 33281 B13R1.536 CCC(O)CNCCC1OCCO1 2230a_100000034215_100011218378 [0,1,0,1,0,0|2,0,0]=4 33282 B13R1.536 CCC(O)CNCCC1OCCO1 2230a_100011218483_100000740749 [0,1,0,1,0,0|2,0,0]=4 33283 B13R1.536 CCC(O)CNCCC1OCCO1 34a_100000034215_100011218378 [0,1,0,1,0,0|2,0,0]=4 33284 B13R1.536 CCC(O)COCCC1CCCC1 34a_100000749090_100011218378 [0,1,0,1,0,0|2,0,0]=4 33285 B13R1.536 CCC(O)COCCC1CCCC1 7a_100000749090_100011218378 [0,1,0,1,0,0|2,0,0]=4 33286 B13R1.536 CCC(O)CSCCC1CCCC1 62a_100000760354_100011218378 [0,1,0,1,0,0|2,0,0]=4 33287 B13R1.536 CCC(O)CSCCC1CCCC1 62a_100011218378_100000760354 [0,1,0,1,0,0|2,0,0]=4 33288 B13R1.536 CCC(O)CSCCC1OCCO1 62a_100011218378_100000740749 [0,1,0,1,0,0|2,0,0]=4 33289 B13R1.536 CCN(C)CCCCC1OCCO1 2230a_100000225621_100000034956 [0,1,0,1,0,0|2,0,0]=4 33290 B13R1.536 CCN(C)CCCCC1OCCO1 269982a_100000225621_100000034956 [0,1,0,1,0,0|2,0,0]=4 33291 B13R1.536 CC[C@H](C)CNCCC1CCCC1 2230a_100000739158_100009816398 [0,1,0,1,0,0|2,0,0]=4 33292 B13R1.536 CC[C@H](C)CNCCC1CCCC1 34a_100000739158_100009816398 [0,1,0,1,0,0|2,0,0]=4 33293 B13R1.536 CC[C@H](C)CNCCC1OCCO1 2230a_100000034215_100009816398 [0,1,0,1,0,0|2,0,0]=4 33294 B13R1.536 CC[C@H](C)CNCCC1OCCO1 34a_100000034215_100009816398 [0,1,0,1,0,0|2,0,0]=4 33295 B13R1.536 CC[C@H](C)COCCC1CCCC1 34a_100000749090_100009816398 [0,1,0,1,0,0|2,0,0]=4 33296 B13R1.536 CC[C@H](C)COCCC1CCCC1 7a_100000749090_100009816398 [0,1,0,1,0,0|2,0,0]=4 33297 B13R1.536 CC[C@H](C)COCCC1CCCC1 7a_100009816381_100000760354 [0,1,0,1,0,0|2,0,0]=4 33298 B13R1.536 CC[C@H](C)COCCC1OCCO1 7a_100009816381_100000740749 [0,1,0,1,0,0|2,0,0]=4 33299 B13R1.536 CC[C@H](C)CSCCC1CCCC1 62a_100000760354_100009816398 [0,1,0,1,0,0|2,0,0]=4 33300 B13R1.536 CC[C@H](C)CSCCC1CCCC1 62a_100009816398_100000760354 [0,1,0,1,0,0|2,0,0]=4 33301 B13R1.536 CC[C@H](C)CSCCC1OCCO1 62a_100009816398_100000740749 [0,1,0,1,0,0|2,0,0]=4 33302 B13R1.536 COC(C)CCOCC1CCCO1 7a_100000764861_100000203698 [0,1,0,1,0,0|2,0,0]=4 33303 B13R1.536 C[C@@H](CN)CCCOC1CCCC1 34a_100160569302_100000179811 [0,1,0,1,0,0|2,0,0]=4 33304 B13R1.536 C[C@@H](CO)CNCCC1CCCC1 2230a_100000739158_100000059175 [0,1,0,1,0,0|1,0,0]=3 33305 B13R1.536 C[C@@H](CO)CNCCC1CCCC1 34a_100000739158_100000059175 [0,1,0,1,0,0|1,0,0]=3 33306 B13R1.536 C[C@@H](CO)COCCC1CCCC1 34a_100000749090_100000059175 [0,1,0,1,0,0|1,0,0]=3 33307 B13R1.536 C[C@@H](CO)COCCC1CCCC1 7a_100000749090_100000059175 [0,1,0,1,0,0|1,0,0]=3 33308 B13R1.536 C[C@@H](CO)COCCC1CCNC1 34a_100016987287_100000059175 [0,1,0,1,0,0|2,0,0]=4 33309 B13R1.536 C[C@@H](CO)COCCC1CCOC1 34a_100011879284_100000059175 [0,1,0,1,0,0|2,0,0]=4 33310 B13R1.536 C[C@@H](CO)CSCCC1CCCC1 62a_100000059175_100000760354 [0,1,0,1,0,0|1,0,0]=3 33311 B13R1.536 C[C@@H](CO)CSCCC1CCCC1 62a_100000760354_100000059175 [0,1,0,1,0,0|1,0,0]=3 33312 B13R1.536 C[C@@H](CO)CSCCN1CCCC1 62a_100000059175_100000004467 [0,1,0,1,0,0|2,0,0]=4 33313 B13R1.536 C[C@@H](CO)CSCCN1CCCC1 62a_100000700749_100000059175 [0,1,0,1,0,0|2,0,0]=4 33314 B13R1.536 C[C@H](CO)NCCCC1CCCC1 2230a_100000737577_100011713738 [0,1,0,1,0,0|1,0,0]=3 33315 B13R1.536 C[C@H](CO)NCCCN1CCCC1 2230a_100000737577_100011445909 [0,1,0,1,0,0|2,0,0]=4 33316 B13R1.536 C[C@H](CO)SCCCC1CCCC1 62a_100011713738_100016084084 [0,1,0,1,0,0|1,0,0]=3 33317 B13R1.536 C[C@H](CO)SCCCC1CCCC1 62a_100016084084_100011713738 [0,1,0,1,0,0|1,0,0]=3 33318 B13R1.536 C[C@H](CO)SCCCN1CCCC1 62a_100016084084_100011445909 [0,1,0,1,0,0|2,0,0]=4 33319 B13R1.536 C[C@H](CO)SCCCN1CCCC1 62a_100016991639_100016084084 [0,1,0,1,0,0|2,0,0]=4 33320 B13R1.536 ClCC(Cl)COCCC1CCCC1 34a_100000033668_100000760354 [0,1,0,1,0,0|2,0,0]=4 33321 B13R1.536 NC[C@@H](F)COCCC1CCCC1 34a_100015665980_100000760354 [0,1,0,1,0,0|2,0,0]=4 33322 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [0,1,0,1,0,0|1,0,1]=4 33323 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [0,1,0,1,0,0|1,0,1]=4 33324 B13R1.536 OCC(O)CNCCC1CCCC1 2230a_100000739158_100011219619 [0,1,0,1,0,0|1,0,0]=3 33325 B13R1.536 OCC(O)CNCCC1CCCC1 34a_100000739158_100011219619 [0,1,0,1,0,0|1,0,0]=3 33326 B13R1.536 OCC(O)COCCC1CCCC1 34a_100000749090_100011219619 [0,1,0,1,0,0|1,0,0]=3 33327 B13R1.536 OCC(O)COCCC1CCCC1 7a_100000749090_100011219619 [0,1,0,1,0,0|1,0,0]=3 33328 B13R1.536 OCC(O)COCCC1CCNC1 34a_100016987287_100011219619 [0,1,0,1,0,0|2,0,0]=4 33329 B13R1.536 OCC(O)COCCC1CCOC1 34a_100011879284_100011219619 [0,1,0,1,0,0|2,0,0]=4 33330 B13R1.536 OCC(O)CSCCC1CCCC1 62a_100000760354_100011219619 [0,1,0,1,0,0|1,0,0]=3 33331 B13R1.536 OCC(O)CSCCC1CCCC1 62a_100011219619_100000760354 [0,1,0,1,0,0|1,0,0]=3 33332 B13R1.536 OCC(O)CSCCN1CCCC1 62a_100000700749_100011219619 [0,1,0,1,0,0|2,0,0]=4 33333 B13R1.536 OCC(O)CSCCN1CCCC1 62a_100011219619_100000004467 [0,1,0,1,0,0|2,0,0]=4 33334 B13R1.536 OC[C@@H](O)CNCCC1CCCC1 2230a_100020644852_100000760354 [0,1,0,1,0,0|1,0,0]=3 33335 B13R1.536 OC[C@H](F)CNCCC1CCCC1 34a_100015665980_100000760354 [0,1,0,1,0,0|1,0,0]=3 33336 B13R1.536 OC[C@H](O)CNCCC1CCCC1 2230a_100000739158_100009815848 [0,1,0,1,0,0|1,0,0]=3 33337 B13R1.536 OC[C@H](O)CNCCC1CCCC1 34a_100000739158_100009815848 [0,1,0,1,0,0|1,0,0]=3 33338 B13R1.536 OC[C@H](O)COCCC1CCCC1 34a_100000749090_100009815848 [0,1,0,1,0,0|1,0,0]=3 33339 B13R1.536 OC[C@H](O)COCCC1CCCC1 7a_100000749090_100009815848 [0,1,0,1,0,0|1,0,0]=3 33340 B13R1.536 OC[C@H](O)COCCC1CCNC1 34a_100016987287_100009815848 [0,1,0,1,0,0|2,0,0]=4 33341 B13R1.536 OC[C@H](O)COCCC1CCOC1 34a_100011879284_100009815848 [0,1,0,1,0,0|2,0,0]=4 33342 B13R1.536 OC[C@H](O)CSCCC1CCCC1 62a_100000760354_100009815848 [0,1,0,1,0,0|1,0,0]=3 33343 B13R1.536 OC[C@H](O)CSCCC1CCCC1 62a_100009815848_100000760354 [0,1,0,1,0,0|1,0,0]=3 33344 B13R1.536 OC[C@H](O)CSCCN1CCCC1 62a_100000700749_100009815848 [0,1,0,1,0,0|2,0,0]=4 33345 B13R1.536 OC[C@H](O)CSCCN1CCCC1 62a_100009815848_100000004467 [0,1,0,1,0,0|2,0,0]=4 33346 B13R1.536 O[C@@H](CF)CNCCC1CCCC1 2230a_100000739158_100015614560 [0,1,0,1,0,0|2,0,0]=4 33347 B13R1.536 O[C@@H](CF)CNCCC1CCCC1 34a_100000739158_100015614560 [0,1,0,1,0,0|2,0,0]=4 33348 B13R1.536 O[C@@H](CF)COCCC1CCCC1 34a_100000749090_100015614560 [0,1,0,1,0,0|2,0,0]=4 33349 B13R1.536 O[C@@H](CF)COCCC1CCCC1 7a_100000749090_100015614560 [0,1,0,1,0,0|2,0,0]=4 33350 B13R1.536 O[C@@H](CF)CSCCC1CCCC1 62a_100000760354_100015614560 [0,1,0,1,0,0|2,0,0]=4 33351 B13R1.536 O[C@@H](CF)CSCCC1CCCC1 62a_100015614560_100000760354 [0,1,0,1,0,0|2,0,0]=4 33352 B13R1.539 CCC(C)CCCOCC1CCC1 7a_100011216074_100000763275 [0,1,0,1,0,0|2,0,0]=4 33353 B13R1.539 CCC(C)CCCOCC1CCO1 7a_100011216074_100000103362 [0,1,0,1,0,0|1,0,0]=3 33354 B13R1.539 CCN(C)CCCNC[C@@H]1CCO1 2230a_100020831831_100015186262 [0,1,0,1,0,0|2,0,0]=4 33355 B13R1.539 CCN(C)CCCSCC1CCO1 62a_100000103362_100015186262 [0,1,0,1,0,0|2,0,0]=4 33356 B13R1.539 C[C@@H](CN)CCCOCC1CCC1 34a_100160569302_100000763275 [0,1,0,1,0,0|2,0,0]=4 33357 B13R1.539 C[C@@H](CN)CCCOCC1CCO1 34a_100160569302_100000103362 [0,1,0,1,0,0|2,0,0]=4 33358 B13R1.594 CC(CO)CCNCCCC1CO1 2230a_106354213184_100000733510 [0,1,0,1,0,0|2,0,0]=4 33359 B13R1.594 CC(CO)CCNCCCC1CO1 34a_106354213184_100000733510 [0,1,0,1,0,0|2,0,0]=4 33360 B13R1.594 CCC(C)CCCOCCC1CC1 7a_100011216074_100000764125 [0,1,0,1,0,0|2,0,0]=4 33361 B13R1.594 CCC(C)CCCOCCC1CO1 7a_100011216074_100000732470 [0,1,0,1,0,0|1,0,0]=3 33362 B13R1.594 CCC(C)CCNCCCC1CO1 2230a_100020591266_100000733510 [0,1,0,1,0,0|1,0,0]=3 33363 B13R1.594 CCC(C)CCOCCCC1CO1 7a_100011215188_100000733510 [0,1,0,1,0,0|1,0,0]=3 33364 B13R1.594 CCN(C)CCCSCCC1CO1 62a_100000732470_100015186262 [0,1,0,1,0,0|2,0,0]=4 33365 B13R1.594 COC(C)CCOCCCC1CO1 7a_100000764861_100000733510 [0,1,0,1,0,0|2,0,0]=4 33366 B13R1.594 C[C@@H](CN)CCCOCCC1CC1 34a_100160569302_100000694398 [0,1,0,1,0,0|2,0,0]=4 33367 B13R1.594 C[C@@H](CN)CCCOCCC1CO1 34a_100160569302_100000732470 [0,1,0,1,0,0|2,0,0]=4 33368 B13R1.599 CC(CO)CCNC1CCCC1C 269862a_106354213184_100000752053 [0,1,0,1,0,0|1,0,0]=3 33369 B13R1.599 CC(CO)CCNC1CCOC1C 270004a_106354213184_100000691750 [0,1,0,1,0,0|2,0,0]=4 33370 B13R1.599 CC(CO)OCCC1CCCN1C 34a_100011215177_100012180447 [0,1,0,1,0,0|2,0,0]=4 33371 B13R1.599 CC(CO)OCCC1CCCN1C 7a_100011215177_100012180447 [0,1,0,1,0,0|2,0,0]=4 33372 B13R1.599 CC(CO)SCCC1CCCN1C 62a_100012180447_100000005710 [0,1,0,1,0,0|2,0,0]=4 33373 B13R1.599 CCC(C)CCNC1CCCC1C 269862a_100020591266_100000752053 [0,1,0,1,0,0|2,0,0]=4 33374 B13R1.599 CCC(C)CCOC1COCC1O 7a_100011215188_200000725654 [0,1,0,1,0,0|2,0,0]=4 33375 B13R1.599 CN1CCCC1COCC(O)CO 34a_100000743107_100011219619 [0,1,0,1,0,0|2,0,0]=4 33376 B13R1.599 CN1CCCC1COC[C@@H](O)CO 34a_100000743107_100009815848 [0,1,0,1,0,0|2,0,0]=4 33377 B13R1.599 C[C@@H](CO)COCC1CCCN1C 34a_100000743107_100000059175 [0,1,0,1,0,0|2,0,0]=4 33378 B13R1.599 C[C@H](CO)NCCC1CCCN1C 2230a_100000737577_100000005710 [0,1,0,1,0,0|2,0,0]=4 33379 B13R1.599 C[C@H](CO)SCCC1CCCN1C 62a_100000005710_100016084084 [0,1,0,1,0,0|2,0,0]=4 33380 B13R1.599 C[C@H](CO)SCCC1CCCN1C 62a_100016084084_100000005710 [0,1,0,1,0,0|2,0,0]=4 33381 B13R1.613 CCC(C)CNC1CCCC1CC 269862a_100020588543_100000749056 [0,1,0,1,0,0|2,0,0]=4 33382 B13R1.613 CCC(C)CNC1CCCC1CC 270004a_100020588543_100000749056 [0,1,0,1,0,0|2,0,0]=4 33383 B13R1.613 CCC(O)CNC1CCCC1CC 269862a_100011218483_100000749056 [0,1,0,1,0,0|2,0,0]=4 33384 B13R1.613 CCC(O)CNC1CCCC1CC 270004a_100011218483_100000749056 [0,1,0,1,0,0|2,0,0]=4 33385 B13R1.613 CCC1CCCC1NCC(C)CO 269862a_100000744482_100000749056 [0,1,0,1,0,0|1,0,0]=3 33386 B13R1.613 CCC1CCCC1NC[C@@H](F)CO 269862a_100015665980_100000749056 [0,1,0,1,0,0|1,0,0]=3 33387 B13R1.613 CCC1CCCC1NC[C@@H](F)CO 270004a_100015665980_100000749056 [0,1,0,1,0,0|1,0,0]=3 33388 B13R1.613 CCC1CCCC1NC[C@H](O)CO 269862a_100020644852_100000749056 [0,1,0,1,0,0|1,0,0]=3 33389 B13R1.613 CCN1CCCC1CNC(C)CO 2230a_100000211693_100012180447 [0,1,0,1,0,0|2,0,0]=4 33390 B13R1.613 CCN1CCC[C@@H]1COC(C)CO 34a_100011739246_100012180447 [0,1,0,1,0,0|2,0,0]=4 33391 B13R1.613 CCN1CCC[C@@H]1COC(C)CO 7a_100011739246_100012180447 [0,1,0,1,0,0|2,0,0]=4 33392 B13R1.672 CCCCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210326 [0,1,0,1,0,0|1,0,0]=3 33393 B13R1.672 CCCCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210215 [0,1,0,1,0,0|1,0,0]=3 33394 B13R1.672 CCCCCN1CCC[C@@]1(C)CO 34a_100016195882_100000718602 [0,1,0,1,0,0|1,0,0]=3 33395 B13R1.672 CCOCCN1CCC[C@@]1(C)CO 2230a_100016195882_100011215890 [0,1,0,1,0,0|2,0,0]=4 33396 B13R1.672 CCOCCN1CCC[C@@]1(C)CO 269982a_100016195882_100011215890 [0,1,0,1,0,0|2,0,0]=4 33397 B13R1.672 CCOCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210147 [0,1,0,1,0,0|2,0,0]=4 33398 B13R1.672 CCSCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000757381 [0,1,0,1,0,0|2,0,0]=4 33399 B13R1.672 CCSCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000757381 [0,1,0,1,0,0|2,0,0]=4 33400 B13R1.672 CCSCCN1CCC[C@@]1(C)CO 34a_100016195882_100000757381 [0,1,0,1,0,0|2,0,0]=4 33401 B13R1.672 COCCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000740836 [0,1,0,1,0,0|2,0,0]=4 33402 B13R1.672 COCCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000740836 [0,1,0,1,0,0|2,0,0]=4 33403 B13R1.672 COCCCN1CCC[C@@]1(C)CO 34a_100016195882_100000740836 [0,1,0,1,0,0|2,0,0]=4 33404 B13R1.672 C[C@]1(CCCN1CCCCF)CO 2230a_100016195882_100000729493 [0,1,0,1,0,0|2,0,0]=4 33405 B13R1.672 C[C@]1(CCCN1CCCCF)CO 269982a_100016195882_100000729493 [0,1,0,1,0,0|2,0,0]=4 33406 B13R1.672 C[C@]1(CCCN1CCCCF)CO 34a_100016195882_100000729493 [0,1,0,1,0,0|2,0,0]=4 33407 B13R1.672 C[C@]1(CCCN1CCCCO)CO 2230a_100016195882_100000210776 [0,1,0,1,0,0|2,0,0]=4 33408 B13R1.672 C[C@]1(CCCN1CCCCO)CO 269982a_100016195882_100000210776 [0,1,0,1,0,0|2,0,0]=4 33409 B13R1.672 C[C@]1(CCCN1CCCCO)CO 34a_100016195882_100011216708 [0,1,0,1,0,0|2,0,0]=4 33410 B13R1.718 CC(CF)OCCC1CCCCC1 34a_100016041109_100011209188 [0,1,0,1,0,0|2,0,0]=4 33411 B13R1.718 CC(CF)OCCC1CCCCC1 7a_100016041109_100011273959 [0,1,0,1,0,0|2,0,0]=4 33412 B13R1.718 CC(CN)COCC1CCCCC1 34a_100000744482_100000211423 [0,1,0,1,0,0|2,0,0]=4 33413 B13R1.718 CC(CN)COCC1CCCCO1 34a_100000744482_100000211543 [0,1,0,1,0,0|2,0,0]=4 33414 B13R1.718 CC(CN)OCCC1CCCCC1 34a_100000210904_100011209188 [0,1,0,1,0,0|2,0,0]=4 33415 B13R1.718 CC(CO)CCNC1CCCCC1 270004a_106354213184_100000210434 [0,1,0,1,0,0|1,0,0]=3 33416 B13R1.718 CC(CO)CCNC1CCCCC1 34a_106354213184_100000210327 [0,1,0,1,0,0|1,0,0]=3 33417 B13R1.718 CC(CO)CCNC1CCCOC1 270004a_106354213184_100000753404 [0,1,0,1,0,0|2,0,0]=4 33418 B13R1.718 CC(CO)CCNC1CCCOC1 34a_106354213184_100000693364 [0,1,0,1,0,0|2,0,0]=4 33419 B13R1.718 CC(CO)CCNC1CCCSC1 270004a_106354213184_100000057913 [0,1,0,1,0,0|2,0,0]=4 33420 B13R1.718 CC(CO)CCNC1CCNCC1 270004a_106354213184_100015192401 [0,1,0,1,0,0|2,0,0]=4 33421 B13R1.718 CC(CO)CCNC1CCOCC1 270004a_106354213184_100011217826 [0,1,0,1,0,0|2,0,0]=4 33422 B13R1.718 CC(CO)CCNC1CCSCC1 270004a_106354213184_100000203788 [0,1,0,1,0,0|2,0,0]=4 33423 B13R1.718 CC(CO)CCNC1CCSCC1 34a_106354213184_100000069128 [0,1,0,1,0,0|2,0,0]=4 33424 B13R1.718 CC(CO)CNCC1CCCCC1 269862a_100000744482_100000211278 [0,1,0,1,0,0|1,0,0]=3 33425 B13R1.718 CC(CO)CNCC1CCCCC1 34a_100000744482_100000211423 [0,1,0,1,0,0|1,0,0]=3 33426 B13R1.718 CC(CO)CNCC1CCCCO1 34a_100000744482_100000211543 [0,1,0,1,0,0|2,0,0]=4 33427 B13R1.718 CC(CO)CNCC1CCCOC1 34a_100000744482_100000741521 [0,1,0,1,0,0|2,0,0]=4 33428 B13R1.718 CC(CO)CNCC1CCOCC1 269862a_100000744482_100000749017 [0,1,0,1,0,0|2,0,0]=4 33429 B13R1.718 CC(CO)CNCC1CCOCC1 34a_100000744482_100000754603 [0,1,0,1,0,0|2,0,0]=4 33430 B13R1.718 CC(CO)CNCC1CCSCC1 269862a_100000744482_100000067145 [0,1,0,1,0,0|2,0,0]=4 33431 B13R1.718 CC(CO)NCCC1CCCCC1 2230a_100000738074_100012180447 [0,1,0,1,0,0|1,0,0]=3 33432 B13R1.718 CC(CO)NCCC1CCCCC1 34a_100000738074_100012180447 [0,1,0,1,0,0|1,0,0]=3 33433 B13R1.718 CC(CO)NCCC1CCCCO1 2230a_100015183643_100012180447 [0,1,0,1,0,0|2,0,0]=4 33434 B13R1.718 CC(CO)NCCC1CCCCO1 34a_100015183643_100012180447 [0,1,0,1,0,0|2,0,0]=4 33435 B13R1.718 CC(CO)NCCC1CCOCC1 2230a_100000755988_100012180447 [0,1,0,1,0,0|2,0,0]=4 33436 B13R1.718 CC(CO)NCCC1CCOCC1 34a_100000755988_100012180447 [0,1,0,1,0,0|2,0,0]=4 33437 B13R1.718 CC(CO)OCCC1CCCCC1 34a_100011217863_100012180447 [0,1,0,1,0,0|1,0,0]=3 33438 B13R1.718 CC(CO)OCCC1CCCCC1 7a_100011217863_100012180447 [0,1,0,1,0,0|1,0,0]=3 33439 B13R1.718 CC(CO)OCCC1CCCCN1 34a_100000211664_100012180447 [0,1,0,1,0,0|2,0,0]=4 33440 B13R1.718 CC(CO)OCCC1CCCNC1 34a_100000752241_100012180447 [0,1,0,1,0,0|2,0,0]=4 33441 B13R1.718 CC(CO)OCCC1CCNCC1 34a_100015190746_100012180447 [0,1,0,1,0,0|2,0,0]=4 33442 B13R1.718 CC(CO)OCCC1CCOCC1 34a_100011933979_100012180447 [0,1,0,1,0,0|2,0,0]=4 33443 B13R1.718 CC(CO)OCCC1CCOCC1 7a_100011933979_100012180447 [0,1,0,1,0,0|2,0,0]=4 33444 B13R1.718 CC(CO)SCCC1CCCCC1 62a_100012180447_100012355289 [0,1,0,1,0,0|1,0,0]=3 33445 B13R1.718 CC(CO)SCCC1CCOCC1 62a_100012180447_100011934994 [0,1,0,1,0,0|2,0,0]=4 33446 B13R1.718 CC(CO)SCCN1CCCCC1 62a_100012180447_100000739454 [0,1,0,1,0,0|2,0,0]=4 33447 B13R1.718 CC(CO)SCOC1CCCCC1 62a_100012180447_100011935260 [0,1,0,1,0,0|2,0,0]=4 33448 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,1,0,1,0,0|1,0,1]=4 33449 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,1,0,1,0,0|1,0,1]=4 33450 B13R1.718 CCC(=O)CCOC1CCCCO1 1458a_100000210414_100000744793 [0,1,0,1,0,0|1,0,1]=4 33451 B13R1.718 CCC(=O)COCC1CCCCO1 1458a_100011223378_100000210202 [0,1,0,1,0,0|1,0,1]=4 33452 B13R1.718 CCC(=O)COCC1CCCCO1 34a_100000725409_100000211543 [0,1,0,1,0,0|1,0,1]=4 33453 B13R1.718 CCC(=O)COCC1CCCCO1 7a_100000211370_100000747405 [0,1,0,1,0,0|1,0,1]=4 33454 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000211543_100000747405 [0,1,0,1,0,0|1,0,1]=4 33455 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000747405_100000211543 [0,1,0,1,0,0|1,0,1]=4 33456 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [0,1,0,1,0,0|1,0,1]=4 33457 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [0,1,0,1,0,0|1,0,1]=4 33458 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [0,1,0,1,0,0|1,0,1]=4 33459 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [0,1,0,1,0,0|1,0,1]=4 33460 B13R1.718 CCC(C)CCNC1CCCCC1 270004a_100020591266_100000210434 [0,1,0,1,0,0|2,0,0]=4 33461 B13R1.718 CCC(C)CCOC1CCCCC1 7a_100011215188_100000210327 [0,1,0,1,0,0|2,0,0]=4 33462 B13R1.718 CCC(C)CNCC1CCCCC1 2230a_100000210473_100000748023 [0,1,0,1,0,0|2,0,0]=4 33463 B13R1.718 CCC(C)CNCC1CCCCC1 2230a_100020588543_100000211423 [0,1,0,1,0,0|2,0,0]=4 33464 B13R1.718 CCC(C)CNCC1CCCCC1 269862a_100020588543_100000211278 [0,1,0,1,0,0|2,0,0]=4 33465 B13R1.718 CCC(C)CNCC1CCCCC1 270004a_100000210473_100000243153 [0,1,0,1,0,0|2,0,0]=4 33466 B13R1.718 CCC(C)CNCC1CCCCC1 34a_100000210473_100000748023 [0,1,0,1,0,0|2,0,0]=4 33467 B13R1.718 CCC(C)CNCC1CCCCO1 2230a_100000174945_100000748023 [0,1,0,1,0,0|1,0,0]=3 33468 B13R1.718 CCC(C)CNCC1CCCCO1 2230a_100020588543_100000211543 [0,1,0,1,0,0|1,0,0]=3 33469 B13R1.718 CCC(C)CNCC1CCCCO1 270004a_100000174945_100000243153 [0,1,0,1,0,0|1,0,0]=3 33470 B13R1.718 CCC(C)CNCC1CCCCO1 34a_100000174945_100000748023 [0,1,0,1,0,0|1,0,0]=3 33471 B13R1.718 CCC(C)CNC[C@H]1COCCO1 2230a_100010981119_100000748023 [0,1,0,1,0,0|2,0,0]=4 33472 B13R1.718 CCC(C)CNC[C@H]1COCCO1 270004a_100010981119_100000243153 [0,1,0,1,0,0|2,0,0]=4 33473 B13R1.718 CCC(C)CNC[C@H]1COCCO1 34a_100010981119_100000748023 [0,1,0,1,0,0|2,0,0]=4 33474 B13R1.718 CCC(C)COCC1CCCCC1 34a_100000212181_100000748023 [0,1,0,1,0,0|2,0,0]=4 33475 B13R1.718 CCC(C)COCC1CCCCC1 7a_100000212181_100000748023 [0,1,0,1,0,0|2,0,0]=4 33476 B13R1.718 CCC(C)COCC1CCCCN1 34a_100000210821_100000748023 [0,1,0,1,0,0|2,0,0]=4 33477 B13R1.718 CCC(C)COCC1CCCCO1 34a_100000211370_100000748023 [0,1,0,1,0,0|1,0,0]=3 33478 B13R1.718 CCC(C)COCC1CCCCO1 7a_100000211370_100000748023 [0,1,0,1,0,0|1,0,0]=3 33479 B13R1.718 CCC(C)COC[C@@H]1CNCCO1 34a_100015189573_100000748023 [0,1,0,1,0,0|2,0,0]=4 33480 B13R1.718 CCC(C)COC[C@H]1COCCO1 34a_100009875890_100000748023 [0,1,0,1,0,0|2,0,0]=4 33481 B13R1.718 CCC(C)CSCC1CCCCC1 62a_100000211423_100000748023 [0,1,0,1,0,0|2,0,0]=4 33482 B13R1.718 CCC(C)CSCC1CCCCC1 62a_100000748023_100000211423 [0,1,0,1,0,0|2,0,0]=4 33483 B13R1.718 CCC(C)CSCC1CCCCO1 62a_100000211543_100000748023 [0,1,0,1,0,0|1,0,0]=3 33484 B13R1.718 CCC(C)CSCC1CCCCO1 62a_100000748023_100000211543 [0,1,0,1,0,0|1,0,0]=3 33485 B13R1.718 CCC(C)NCCC1CCCCC1 2230a_100000209981_100012355289 [0,1,0,1,0,0|2,0,0]=4 33486 B13R1.718 CCC(C)NCCC1CCCCC1 2230a_100000738074_100000758301 [0,1,0,1,0,0|2,0,0]=4 33487 B13R1.718 CCC(C)NCCC1CCCCC1 270004a_100000209981_100011713444 [0,1,0,1,0,0|2,0,0]=4 33488 B13R1.718 CCC(C)NCCC1CCCCC1 34a_100000738074_100011215416 [0,1,0,1,0,0|2,0,0]=4 33489 B13R1.718 CCC(C)NCCC1CCCCO1 2230a_100015183643_100000758301 [0,1,0,1,0,0|1,0,0]=3 33490 B13R1.718 CCC(C)NCCC1CCCCO1 34a_100015183643_100011215416 [0,1,0,1,0,0|1,0,0]=3 33491 B13R1.718 CCC(C)NCCC1OCCCO1 2230a_100000209981_100000764188 [0,1,0,1,0,0|2,0,0]=4 33492 B13R1.718 CCC(C)OCCC1CCCCC1 34a_100011217863_100011215416 [0,1,0,1,0,0|2,0,0]=4 33493 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100000210228_100011273959 [0,1,0,1,0,0|2,0,0]=4 33494 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100011217863_100000758301 [0,1,0,1,0,0|2,0,0]=4 33495 B13R1.718 CCC(C)OCCC1CCCCN1 34a_100000211664_100011215416 [0,1,0,1,0,0|2,0,0]=4 33496 B13R1.718 CCC(C)OCCC1OCCCO1 7a_100000210228_100000764188 [0,1,0,1,0,0|2,0,0]=4 33497 B13R1.718 CCC(C)SCCC1CCCCC1 62a_100000758301_100012355289 [0,1,0,1,0,0|2,0,0]=4 33498 B13R1.718 CCC(C)SCCC1CCCCC1 62a_100012355289_100000758301 [0,1,0,1,0,0|2,0,0]=4 33499 B13R1.718 CCC(C)SCCC1OCCCO1 62a_100000758301_100000764188 [0,1,0,1,0,0|2,0,0]=4 33500 B13R1.718 CCC(C)SCCC1OCCCO1 62a_100000764188_100000758301 [0,1,0,1,0,0|2,0,0]=4 33501 B13R1.718 CCC(O)CNCC1CCCCC1 2230a_100000210473_100011218378 [0,1,0,1,0,0|2,0,0]=4 33502 B13R1.718 CCC(O)CNCC1CCCCC1 2230a_100011218483_100000211423 [0,1,0,1,0,0|2,0,0]=4 33503 B13R1.718 CCC(O)CNCC1CCCCC1 269862a_100011218483_100000211278 [0,1,0,1,0,0|2,0,0]=4 33504 B13R1.718 CCC(O)CNCC1CCCCC1 34a_100000210473_100011218378 [0,1,0,1,0,0|2,0,0]=4 33505 B13R1.718 CCC(O)CNCC1CCCCO1 2230a_100000174945_100011218378 [0,1,0,1,0,0|1,0,0]=3 33506 B13R1.718 CCC(O)CNCC1CCCCO1 2230a_100011218483_100000211543 [0,1,0,1,0,0|1,0,0]=3 33507 B13R1.718 CCC(O)CNCC1CCCCO1 34a_100000174945_100011218378 [0,1,0,1,0,0|1,0,0]=3 33508 B13R1.718 CCC(O)CNC[C@H]1COCCO1 2230a_100010981119_100011218378 [0,1,0,1,0,0|2,0,0]=4 33509 B13R1.718 CCC(O)CNC[C@H]1COCCO1 34a_100010981119_100011218378 [0,1,0,1,0,0|2,0,0]=4 33510 B13R1.718 CCC(O)COCC1CCCCC1 34a_100000212181_100011218378 [0,1,0,1,0,0|2,0,0]=4 33511 B13R1.718 CCC(O)COCC1CCCCC1 7a_100000212181_100011218378 [0,1,0,1,0,0|2,0,0]=4 33512 B13R1.718 CCC(O)COCC1CCCCN1 34a_100000210821_100011218378 [0,1,0,1,0,0|2,0,0]=4 33513 B13R1.718 CCC(O)COCC1CCCCO1 34a_100000211370_100011218378 [0,1,0,1,0,0|1,0,0]=3 33514 B13R1.718 CCC(O)COCC1CCCCO1 7a_100000211370_100011218378 [0,1,0,1,0,0|1,0,0]=3 33515 B13R1.718 CCC(O)COC[C@@H]1CNCCO1 34a_100015189573_100011218378 [0,1,0,1,0,0|2,0,0]=4 33516 B13R1.718 CCC(O)COC[C@H]1COCCO1 34a_100009875890_100011218378 [0,1,0,1,0,0|2,0,0]=4 33517 B13R1.718 CCC(O)CSCC1CCCCC1 62a_100000211423_100011218378 [0,1,0,1,0,0|2,0,0]=4 33518 B13R1.718 CCC(O)CSCC1CCCCC1 62a_100011218378_100000211423 [0,1,0,1,0,0|2,0,0]=4 33519 B13R1.718 CCC(O)CSCC1CCCCO1 62a_100000211543_100011218378 [0,1,0,1,0,0|1,0,0]=3 33520 B13R1.718 CCC(O)CSCC1CCCCO1 62a_100011218378_100000211543 [0,1,0,1,0,0|1,0,0]=3 33521 B13R1.718 CCN(C)CCCC1CCCCC1 2230a_100000225621_100011713725 [0,1,0,1,0,0|2,0,0]=4 33522 B13R1.718 CCN(C)CCCC1CCCCC1 269982a_100000225621_100011713725 [0,1,0,1,0,0|2,0,0]=4 33523 B13R1.718 CCN(C)CCOC1CCCCO1 2230a_100000225621_100000744793 [0,1,0,1,0,0|2,0,0]=4 33524 B13R1.718 CCN(C)CCOC1CCCCO1 269982a_100000225621_100000744793 [0,1,0,1,0,0|2,0,0]=4 33525 B13R1.718 CC[C@H](C)CNCC1CCCCC1 2230a_100000210473_100009816398 [0,1,0,1,0,0|2,0,0]=4 33526 B13R1.718 CC[C@H](C)CNCC1CCCCC1 34a_100000210473_100009816398 [0,1,0,1,0,0|2,0,0]=4 33527 B13R1.718 CC[C@H](C)CNCC1CCCCO1 2230a_100000174945_100009816398 [0,1,0,1,0,0|1,0,0]=3 33528 B13R1.718 CC[C@H](C)CNCC1CCCCO1 34a_100000174945_100009816398 [0,1,0,1,0,0|1,0,0]=3 33529 B13R1.718 CC[C@H](C)CNC[C@H]1COCCO1 2230a_100010981119_100009816398 [0,1,0,1,0,0|2,0,0]=4 33530 B13R1.718 CC[C@H](C)CNC[C@H]1COCCO1 34a_100010981119_100009816398 [0,1,0,1,0,0|2,0,0]=4 33531 B13R1.718 CC[C@H](C)COCC1CCCCC1 34a_100000212181_100009816398 [0,1,0,1,0,0|2,0,0]=4 33532 B13R1.718 CC[C@H](C)COCC1CCCCC1 7a_100000212181_100009816398 [0,1,0,1,0,0|2,0,0]=4 33533 B13R1.718 CC[C@H](C)COCC1CCCCC1 7a_100009816381_100000211423 [0,1,0,1,0,0|2,0,0]=4 33534 B13R1.718 CC[C@H](C)COCC1CCCCN1 34a_100000210821_100009816398 [0,1,0,1,0,0|2,0,0]=4 33535 B13R1.718 CC[C@H](C)COCC1CCCCO1 34a_100000211370_100009816398 [0,1,0,1,0,0|1,0,0]=3 33536 B13R1.718 CC[C@H](C)COCC1CCCCO1 7a_100000211370_100009816398 [0,1,0,1,0,0|1,0,0]=3 33537 B13R1.718 CC[C@H](C)COCC1CCCCO1 7a_100009816381_100000211543 [0,1,0,1,0,0|1,0,0]=3 33538 B13R1.718 CC[C@H](C)COC[C@@H]1CNCCO1 34a_100015189573_100009816398 [0,1,0,1,0,0|2,0,0]=4 33539 B13R1.718 CC[C@H](C)COC[C@H]1COCCO1 34a_100009875890_100009816398 [0,1,0,1,0,0|2,0,0]=4 33540 B13R1.718 CC[C@H](C)CSCC1CCCCC1 62a_100000211423_100009816398 [0,1,0,1,0,0|2,0,0]=4 33541 B13R1.718 CC[C@H](C)CSCC1CCCCC1 62a_100009816398_100000211423 [0,1,0,1,0,0|2,0,0]=4 33542 B13R1.718 CC[C@H](C)CSCC1CCCCO1 62a_100000211543_100009816398 [0,1,0,1,0,0|1,0,0]=3 33543 B13R1.718 CC[C@H](C)CSCC1CCCCO1 62a_100009816398_100000211543 [0,1,0,1,0,0|1,0,0]=3 33544 B13R1.718 COC(C)COCC1CCCCO1 34a_100000690652_100000211543 [0,1,0,1,0,0|2,0,0]=4 33545 B13R1.718 CO[C@H](C)CNCC1CCCCO1 2230a_100020591295_100000211543 [0,1,0,1,0,0|2,0,0]=4 33546 B13R1.718 C[C@@H](CO)CNCC1CCCCC1 2230a_100000210473_100000059175 [0,1,0,1,0,0|1,0,0]=3 33547 B13R1.718 C[C@@H](CO)CNCC1CCCCC1 34a_100000210473_100000059175 [0,1,0,1,0,0|1,0,0]=3 33548 B13R1.718 C[C@@H](CO)CNCC1CCCCO1 2230a_100000174945_100000059175 [0,1,0,1,0,0|2,0,0]=4 33549 B13R1.718 C[C@@H](CO)CNCC1CCCCO1 34a_100000174945_100000059175 [0,1,0,1,0,0|2,0,0]=4 33550 B13R1.718 C[C@@H](CO)CNCC1CCCOC1 2230a_100000720124_100000059175 [0,1,0,1,0,0|2,0,0]=4 33551 B13R1.718 C[C@@H](CO)CNCC1CCCOC1 34a_100000720124_100000059175 [0,1,0,1,0,0|2,0,0]=4 33552 B13R1.718 C[C@@H](CO)CNCC1CCOCC1 2230a_100000746373_100000059175 [0,1,0,1,0,0|2,0,0]=4 33553 B13R1.718 C[C@@H](CO)CNCC1CCOCC1 34a_100000746373_100000059175 [0,1,0,1,0,0|2,0,0]=4 33554 B13R1.718 C[C@@H](CO)CNCC1CCSCC1 2230a_100015188806_100000059175 [0,1,0,1,0,0|2,0,0]=4 33555 B13R1.718 C[C@@H](CO)CNCC1CCSCC1 34a_100015188806_100000059175 [0,1,0,1,0,0|2,0,0]=4 33556 B13R1.718 C[C@@H](CO)COCC1CCCCC1 34a_100000212181_100000059175 [0,1,0,1,0,0|1,0,0]=3 33557 B13R1.718 C[C@@H](CO)COCC1CCCCC1 7a_100000212181_100000059175 [0,1,0,1,0,0|1,0,0]=3 33558 B13R1.718 C[C@@H](CO)COCC1CCCCN1 34a_100000210821_100000059175 [0,1,0,1,0,0|2,0,0]=4 33559 B13R1.718 C[C@@H](CO)COCC1CCCCO1 34a_100000211370_100000059175 [0,1,0,1,0,0|2,0,0]=4 33560 B13R1.718 C[C@@H](CO)COCC1CCCCO1 7a_100000211370_100000059175 [0,1,0,1,0,0|2,0,0]=4 33561 B13R1.718 C[C@@H](CO)COCC1CCCNC1 34a_100000211344_100000059175 [0,1,0,1,0,0|2,0,0]=4 33562 B13R1.718 C[C@@H](CO)COCC1CCCOC1 34a_100000741520_100000059175 [0,1,0,1,0,0|2,0,0]=4 33563 B13R1.718 C[C@@H](CO)COCC1CCNCC1 34a_100000738675_100000059175 [0,1,0,1,0,0|2,0,0]=4 33564 B13R1.718 C[C@@H](CO)COCC1CCOCC1 34a_100000749013_100000059175 [0,1,0,1,0,0|2,0,0]=4 33565 B13R1.718 C[C@@H](CO)COCC1CCSCC1 34a_100000070558_100000059175 [0,1,0,1,0,0|2,0,0]=4 33566 B13R1.718 C[C@@H](CO)COCC1CCSCC1 7a_100000070558_100000059175 [0,1,0,1,0,0|2,0,0]=4 33567 B13R1.718 C[C@@H](CO)CSCC1CCCCC1 62a_100000059175_100000211423 [0,1,0,1,0,0|1,0,0]=3 33568 B13R1.718 C[C@@H](CO)CSCC1CCCCC1 62a_100000211423_100000059175 [0,1,0,1,0,0|1,0,0]=3 33569 B13R1.718 C[C@@H](CO)CSCC1CCCCO1 62a_100000059175_100000211543 [0,1,0,1,0,0|2,0,0]=4 33570 B13R1.718 C[C@@H](CO)CSCC1CCCCO1 62a_100000211543_100000059175 [0,1,0,1,0,0|2,0,0]=4 33571 B13R1.718 C[C@@H](CO)CSCC1CCCOC1 62a_100000059175_100000741521 [0,1,0,1,0,0|2,0,0]=4 33572 B13R1.718 C[C@@H](CO)CSCC1CCCOC1 62a_100000741521_100000059175 [0,1,0,1,0,0|2,0,0]=4 33573 B13R1.718 C[C@@H](CO)CSCC1CCOCC1 62a_100000059175_100000749018 [0,1,0,1,0,0|2,0,0]=4 33574 B13R1.718 C[C@@H](CO)CSCC1CCOCC1 62a_100000754603_100000059175 [0,1,0,1,0,0|2,0,0]=4 33575 B13R1.718 C[C@H](CF)NCCC1CCCCC1 270004a_100102880703_100011713444 [0,1,0,1,0,0|2,0,0]=4 33576 B13R1.718 C[C@H](CO)NCCC1CCCCC1 2230a_100000737577_100012355289 [0,1,0,1,0,0|1,0,0]=3 33577 B13R1.718 C[C@H](CO)NCCC1CCCCC1 270004a_100000737577_100011713444 [0,1,0,1,0,0|1,0,0]=3 33578 B13R1.718 C[C@H](CO)NCCC1CCOCC1 2230a_100000737577_100011934994 [0,1,0,1,0,0|2,0,0]=4 33579 B13R1.718 C[C@H](CO)NCCN1CCCCC1 2230a_100000737577_100000739454 [0,1,0,1,0,0|2,0,0]=4 33580 B13R1.718 C[C@H](CO)NCOC1CCCCC1 2230a_100000737577_100011935260 [0,1,0,1,0,0|2,0,0]=4 33581 B13R1.718 C[C@H](CO)SCCC1CCCCC1 62a_100012355289_100016084084 [0,1,0,1,0,0|1,0,0]=3 33582 B13R1.718 C[C@H](CO)SCCC1CCCCC1 62a_100016084084_100012355289 [0,1,0,1,0,0|1,0,0]=3 33583 B13R1.718 C[C@H](CO)SCCC1CCOCC1 62a_100011934994_100016084084 [0,1,0,1,0,0|2,0,0]=4 33584 B13R1.718 C[C@H](CO)SCCC1CCOCC1 62a_100016084084_100011934994 [0,1,0,1,0,0|2,0,0]=4 33585 B13R1.718 C[C@H](CO)SCCN1CCCCC1 62a_100000739454_100016084084 [0,1,0,1,0,0|2,0,0]=4 33586 B13R1.718 C[C@H](CO)SCCN1CCCCC1 62a_100016084084_100000739454 [0,1,0,1,0,0|2,0,0]=4 33587 B13R1.718 C[C@H](CO)SCOC1CCCCC1 62a_100011935260_100016084084 [0,1,0,1,0,0|2,0,0]=4 33588 B13R1.718 C[C@H](CO)SCOC1CCCCC1 62a_100016084084_100011935260 [0,1,0,1,0,0|2,0,0]=4 33589 B13R1.718 ClCC(Cl)COCC1CCCCC1 34a_100000033668_100000211423 [0,1,0,1,0,0|2,0,0]=4 33590 B13R1.718 ClCC(Cl)COCC1CCCCO1 34a_100000033668_100000211543 [0,1,0,1,0,0|2,0,0]=4 33591 B13R1.718 NC[C@@H](F)COCC1CCCCC1 34a_100015665980_100000211423 [0,1,0,1,0,0|2,0,0]=4 33592 B13R1.718 NC[C@@H](F)COCC1CCCCO1 34a_100015665980_100000211543 [0,1,0,1,0,0|2,0,0]=4 33593 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,1,0,1,0,0|1,0,1]=4 33594 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|0,0,1]=3 33595 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,1,0,0|1,0,1]=4 33596 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,1,0,0|1,0,1]=4 33597 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,1,0,0|1,0,1]=4 33598 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,1,0,0|1,0,1]=4 33599 B13R1.718 OCC(O)CNCC1CCCCC1 2230a_100000210473_100011219619 [0,1,0,1,0,0|1,0,0]=3 33600 B13R1.718 OCC(O)CNCC1CCCCC1 34a_100000210473_100011219619 [0,1,0,1,0,0|1,0,0]=3 33601 B13R1.718 OCC(O)CNCC1CCCCO1 2230a_100000174945_100011219619 [0,1,0,1,0,0|2,0,0]=4 33602 B13R1.718 OCC(O)CNCC1CCCCO1 34a_100000174945_100011219619 [0,1,0,1,0,0|2,0,0]=4 33603 B13R1.718 OCC(O)CNCC1CCCOC1 2230a_100000720124_100011219619 [0,1,0,1,0,0|2,0,0]=4 33604 B13R1.718 OCC(O)CNCC1CCCOC1 34a_100000720124_100011219619 [0,1,0,1,0,0|2,0,0]=4 33605 B13R1.718 OCC(O)CNCC1CCOCC1 2230a_100000746373_100011219619 [0,1,0,1,0,0|2,0,0]=4 33606 B13R1.718 OCC(O)CNCC1CCOCC1 34a_100000746373_100011219619 [0,1,0,1,0,0|2,0,0]=4 33607 B13R1.718 OCC(O)CNCC1CCSCC1 2230a_100015188806_100011219619 [0,1,0,1,0,0|2,0,0]=4 33608 B13R1.718 OCC(O)CNCC1CCSCC1 34a_100015188806_100011219619 [0,1,0,1,0,0|2,0,0]=4 33609 B13R1.718 OCC(O)COCC1CCCCC1 34a_100000212181_100011219619 [0,1,0,1,0,0|1,0,0]=3 33610 B13R1.718 OCC(O)COCC1CCCCC1 7a_100000212181_100011219619 [0,1,0,1,0,0|1,0,0]=3 33611 B13R1.718 OCC(O)COCC1CCCCN1 34a_100000210821_100011219619 [0,1,0,1,0,0|2,0,0]=4 33612 B13R1.718 OCC(O)COCC1CCCCO1 34a_100000211370_100011219619 [0,1,0,1,0,0|2,0,0]=4 33613 B13R1.718 OCC(O)COCC1CCCCO1 7a_100000211370_100011219619 [0,1,0,1,0,0|2,0,0]=4 33614 B13R1.718 OCC(O)COCC1CCCNC1 34a_100000211344_100011219619 [0,1,0,1,0,0|2,0,0]=4 33615 B13R1.718 OCC(O)COCC1CCCOC1 34a_100000741520_100011219619 [0,1,0,1,0,0|2,0,0]=4 33616 B13R1.718 OCC(O)COCC1CCNCC1 34a_100000738675_100011219619 [0,1,0,1,0,0|2,0,0]=4 33617 B13R1.718 OCC(O)COCC1CCOCC1 34a_100000749013_100011219619 [0,1,0,1,0,0|2,0,0]=4 33618 B13R1.718 OCC(O)COCC1CCSCC1 34a_100000070558_100011219619 [0,1,0,1,0,0|2,0,0]=4 33619 B13R1.718 OCC(O)COCC1CCSCC1 7a_100000070558_100011219619 [0,1,0,1,0,0|2,0,0]=4 33620 B13R1.718 OCC(O)CSCC1CCCCC1 62a_100000211423_100011219619 [0,1,0,1,0,0|1,0,0]=3 33621 B13R1.718 OCC(O)CSCC1CCCCC1 62a_100011219619_100000211423 [0,1,0,1,0,0|1,0,0]=3 33622 B13R1.718 OCC(O)CSCC1CCCCO1 62a_100000211543_100011219619 [0,1,0,1,0,0|2,0,0]=4 33623 B13R1.718 OCC(O)CSCC1CCCCO1 62a_100011219619_100000211543 [0,1,0,1,0,0|2,0,0]=4 33624 B13R1.718 OCC(O)CSCC1CCCOC1 62a_100000741521_100011219619 [0,1,0,1,0,0|2,0,0]=4 33625 B13R1.718 OCC(O)CSCC1CCCOC1 62a_100011219619_100000741521 [0,1,0,1,0,0|2,0,0]=4 33626 B13R1.718 OCC(O)CSCC1CCOCC1 62a_100000754603_100011219619 [0,1,0,1,0,0|2,0,0]=4 33627 B13R1.718 OCC(O)CSCC1CCOCC1 62a_100011219619_100000749018 [0,1,0,1,0,0|2,0,0]=4 33628 B13R1.718 OC[C@@H](O)CNCC1CCCCC1 2230a_100020644852_100000211423 [0,1,0,1,0,0|1,0,0]=3 33629 B13R1.718 OC[C@@H](O)CNCC1CCCCC1 269862a_100020644852_100000211278 [0,1,0,1,0,0|1,0,0]=3 33630 B13R1.718 OC[C@@H](O)CNCC1CCCCO1 2230a_100020644852_100000211543 [0,1,0,1,0,0|2,0,0]=4 33631 B13R1.718 OC[C@@H](O)CNCC1CCCOC1 2230a_100020644852_100000741521 [0,1,0,1,0,0|2,0,0]=4 33632 B13R1.718 OC[C@@H](O)CNCC1CCOCC1 2230a_100020644852_100000754603 [0,1,0,1,0,0|2,0,0]=4 33633 B13R1.718 OC[C@@H](O)CNCC1CCOCC1 269862a_100020644852_100000749017 [0,1,0,1,0,0|2,0,0]=4 33634 B13R1.718 OC[C@@H](O)CNCC1CCSCC1 269862a_100020644852_100000067145 [0,1,0,1,0,0|2,0,0]=4 33635 B13R1.718 OC[C@H](F)CNCC1CCCCC1 269862a_100015665980_100000211278 [0,1,0,1,0,0|1,0,0]=3 33636 B13R1.718 OC[C@H](F)CNCC1CCCCC1 34a_100015665980_100000211423 [0,1,0,1,0,0|1,0,0]=3 33637 B13R1.718 OC[C@H](F)CNCC1CCCCO1 34a_100015665980_100000211543 [0,1,0,1,0,0|2,0,0]=4 33638 B13R1.718 OC[C@H](F)CNCC1CCCOC1 34a_100015665980_100000741521 [0,1,0,1,0,0|2,0,0]=4 33639 B13R1.718 OC[C@H](F)CNCC1CCOCC1 269862a_100015665980_100000749017 [0,1,0,1,0,0|2,0,0]=4 33640 B13R1.718 OC[C@H](F)CNCC1CCOCC1 34a_100015665980_100000754603 [0,1,0,1,0,0|2,0,0]=4 33641 B13R1.718 OC[C@H](F)CNCC1CCSCC1 269862a_100015665980_100000067145 [0,1,0,1,0,0|2,0,0]=4 33642 B13R1.718 OC[C@H](F)CNCC1CCSCC1 270004a_100015665980_100000067145 [0,1,0,1,0,0|2,0,0]=4 33643 B13R1.718 OC[C@H](O)CNCC1CCCCC1 2230a_100000210473_100009815848 [0,1,0,1,0,0|1,0,0]=3 33644 B13R1.718 OC[C@H](O)CNCC1CCCCC1 34a_100000210473_100009815848 [0,1,0,1,0,0|1,0,0]=3 33645 B13R1.718 OC[C@H](O)CNCC1CCCCO1 2230a_100000174945_100009815848 [0,1,0,1,0,0|2,0,0]=4 33646 B13R1.718 OC[C@H](O)CNCC1CCCCO1 34a_100000174945_100009815848 [0,1,0,1,0,0|2,0,0]=4 33647 B13R1.718 OC[C@H](O)CNCC1CCCOC1 2230a_100000720124_100009815848 [0,1,0,1,0,0|2,0,0]=4 33648 B13R1.718 OC[C@H](O)CNCC1CCCOC1 34a_100000720124_100009815848 [0,1,0,1,0,0|2,0,0]=4 33649 B13R1.718 OC[C@H](O)CNCC1CCOCC1 2230a_100000746373_100009815848 [0,1,0,1,0,0|2,0,0]=4 33650 B13R1.718 OC[C@H](O)CNCC1CCOCC1 34a_100000746373_100009815848 [0,1,0,1,0,0|2,0,0]=4 33651 B13R1.718 OC[C@H](O)CNCC1CCSCC1 2230a_100015188806_100009815848 [0,1,0,1,0,0|2,0,0]=4 33652 B13R1.718 OC[C@H](O)CNCC1CCSCC1 34a_100015188806_100009815848 [0,1,0,1,0,0|2,0,0]=4 33653 B13R1.718 OC[C@H](O)COCC1CCCCC1 34a_100000212181_100009815848 [0,1,0,1,0,0|1,0,0]=3 33654 B13R1.718 OC[C@H](O)COCC1CCCCC1 7a_100000212181_100009815848 [0,1,0,1,0,0|1,0,0]=3 33655 B13R1.718 OC[C@H](O)COCC1CCCCN1 34a_100000210821_100009815848 [0,1,0,1,0,0|2,0,0]=4 33656 B13R1.718 OC[C@H](O)COCC1CCCCO1 34a_100000211370_100009815848 [0,1,0,1,0,0|2,0,0]=4 33657 B13R1.718 OC[C@H](O)COCC1CCCCO1 7a_100000211370_100009815848 [0,1,0,1,0,0|2,0,0]=4 33658 B13R1.718 OC[C@H](O)COCC1CCCNC1 34a_100000211344_100009815848 [0,1,0,1,0,0|2,0,0]=4 33659 B13R1.718 OC[C@H](O)COCC1CCCOC1 34a_100000741520_100009815848 [0,1,0,1,0,0|2,0,0]=4 33660 B13R1.718 OC[C@H](O)COCC1CCNCC1 34a_100000738675_100009815848 [0,1,0,1,0,0|2,0,0]=4 33661 B13R1.718 OC[C@H](O)COCC1CCOCC1 34a_100000749013_100009815848 [0,1,0,1,0,0|2,0,0]=4 33662 B13R1.718 OC[C@H](O)COCC1CCSCC1 34a_100000070558_100009815848 [0,1,0,1,0,0|2,0,0]=4 33663 B13R1.718 OC[C@H](O)COCC1CCSCC1 7a_100000070558_100009815848 [0,1,0,1,0,0|2,0,0]=4 33664 B13R1.718 OC[C@H](O)CSCC1CCCCC1 62a_100000211423_100009815848 [0,1,0,1,0,0|1,0,0]=3 33665 B13R1.718 OC[C@H](O)CSCC1CCCCC1 62a_100009815848_100000211423 [0,1,0,1,0,0|1,0,0]=3 33666 B13R1.718 OC[C@H](O)CSCC1CCCCO1 62a_100000211543_100009815848 [0,1,0,1,0,0|2,0,0]=4 33667 B13R1.718 OC[C@H](O)CSCC1CCCCO1 62a_100009815848_100000211543 [0,1,0,1,0,0|2,0,0]=4 33668 B13R1.718 OC[C@H](O)CSCC1CCCOC1 62a_100000741521_100009815848 [0,1,0,1,0,0|2,0,0]=4 33669 B13R1.718 OC[C@H](O)CSCC1CCCOC1 62a_100009815848_100000741521 [0,1,0,1,0,0|2,0,0]=4 33670 B13R1.718 OC[C@H](O)CSCC1CCOCC1 62a_100000754603_100009815848 [0,1,0,1,0,0|2,0,0]=4 33671 B13R1.718 OC[C@H](O)CSCC1CCOCC1 62a_100009815848_100000749018 [0,1,0,1,0,0|2,0,0]=4 33672 B13R1.718 O[C@@H](CF)CNCC1CCCCC1 2230a_100000210473_100015614560 [0,1,0,1,0,0|2,0,0]=4 33673 B13R1.718 O[C@@H](CF)CNCC1CCCCC1 34a_100000210473_100015614560 [0,1,0,1,0,0|2,0,0]=4 33674 B13R1.718 O[C@@H](CF)CNCC1CCCCO1 2230a_100000174945_100015614560 [0,1,0,1,0,0|2,0,0]=4 33675 B13R1.718 O[C@@H](CF)CNCC1CCCCO1 34a_100000174945_100015614560 [0,1,0,1,0,0|2,0,0]=4 33676 B13R1.718 O[C@@H](CF)COCC1CCCCC1 34a_100000212181_100015614560 [0,1,0,1,0,0|2,0,0]=4 33677 B13R1.718 O[C@@H](CF)COCC1CCCCC1 7a_100000212181_100015614560 [0,1,0,1,0,0|2,0,0]=4 33678 B13R1.718 O[C@@H](CF)COCC1CCCCO1 34a_100000211370_100015614560 [0,1,0,1,0,0|2,0,0]=4 33679 B13R1.718 O[C@@H](CF)COCC1CCCCO1 7a_100000211370_100015614560 [0,1,0,1,0,0|2,0,0]=4 33680 B13R1.718 O[C@@H](CF)CSCC1CCCCC1 62a_100000211423_100015614560 [0,1,0,1,0,0|2,0,0]=4 33681 B13R1.718 O[C@@H](CF)CSCC1CCCCC1 62a_100015614560_100000211423 [0,1,0,1,0,0|2,0,0]=4 33682 B13R1.718 O[C@@H](CF)CSCC1CCCCO1 62a_100000211543_100015614560 [0,1,0,1,0,0|2,0,0]=4 33683 B13R1.718 O[C@@H](CF)CSCC1CCCCO1 62a_100015614560_100000211543 [0,1,0,1,0,0|2,0,0]=4 33684 B13R1.1689 CC(CO)N1CCCCCCCC1 2230a_100000039187_100012180447 [0,1,0,1,0,0|1,0,0]=3 33685 B13R1.1689 CC(CO)N1CCCCCCCC1 34a_100000039187_100012180447 [0,1,0,1,0,0|1,0,0]=3 33686 B13R1.1689 CCC(C)N1CCCCCCCC1 2230a_100000039187_100000758301 [0,1,0,1,0,0|2,0,0]=4 33687 B13R1.1689 CCC(C)N1CCCCCCCC1 269982a_100000039187_100000758301 [0,1,0,1,0,0|2,0,0]=4 33688 B13R1.1689 CCC(C)N1CCCCCCCC1 34a_100000039187_100011215416 [0,1,0,1,0,0|2,0,0]=4 33689 B13R1.1689 C[C@H](CO)N1CCCCCCCC1 269982a_100000039187_100016084084 [0,1,0,1,0,0|1,0,0]=3 33690 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|1,0,1]=4 33691 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|1,0,1]=4 33692 B13R1.1711 CC(CF)OCC1CCCCCC1 34a_100016041109_200000696569 [0,1,0,1,0,0|2,0,0]=4 33693 B13R1.1711 CC(CF)OCC1CCCCCC1 7a_100016041109_200000696569 [0,1,0,1,0,0|2,0,0]=4 33694 B13R1.1711 CC(CN)COC1CCCCCC1 34a_100000744482_100011217769 [0,1,0,1,0,0|2,0,0]=4 33695 B13R1.1711 CC(CN)OCC1CCCCCC1 34a_100000210904_200000696569 [0,1,0,1,0,0|2,0,0]=4 33696 B13R1.1711 CC(CO)CNC1CCCCCC1 34a_100000744482_100011217769 [0,1,0,1,0,0|1,0,0]=3 33697 B13R1.1711 CC(CO)NCC1CCCCCC1 2230a_100015204231_100012180447 [0,1,0,1,0,0|1,0,0]=3 33698 B13R1.1711 CC(CO)NCC1CCCCCC1 34a_100015204231_100012180447 [0,1,0,1,0,0|1,0,0]=3 33699 B13R1.1711 CC(CO)OCC1CCCCCC1 34a_100000699130_100012180447 [0,1,0,1,0,0|1,0,0]=3 33700 B13R1.1711 CC(CO)OCC1CCCCCC1 7a_100000699130_100012180447 [0,1,0,1,0,0|1,0,0]=3 33701 B13R1.1711 CC(CO)SCC1CCCCCC1 62a_100012180447_200000696569 [0,1,0,1,0,0|1,0,0]=3 33702 B13R1.1711 CCC(C)CNC1CCCCCC1 2230a_100000210984_100000748023 [0,1,0,1,0,0|2,0,0]=4 33703 B13R1.1711 CCC(C)CNC1CCCCCC1 270004a_100000210984_100000243153 [0,1,0,1,0,0|2,0,0]=4 33704 B13R1.1711 CCC(C)CNC1CCCCCC1 270004a_100020588543_100000210131 [0,1,0,1,0,0|2,0,0]=4 33705 B13R1.1711 CCC(C)CNC1CCCCCC1 34a_100000210984_100000748023 [0,1,0,1,0,0|2,0,0]=4 33706 B13R1.1711 CCC(C)COC1CCCCCC1 34a_100000210887_100000748023 [0,1,0,1,0,0|2,0,0]=4 33707 B13R1.1711 CCC(C)COC1CCCCCC1 7a_100000210887_100000748023 [0,1,0,1,0,0|2,0,0]=4 33708 B13R1.1711 CCC(C)CSC1CCCCCC1 62a_100000748023_100011217769 [0,1,0,1,0,0|2,0,0]=4 33709 B13R1.1711 CCC(C)CSC1CCCCCC1 62a_100011217769_100000748023 [0,1,0,1,0,0|2,0,0]=4 33710 B13R1.1711 CCC(C)NCC1CCCCCC1 2230a_100000209981_200000696569 [0,1,0,1,0,0|2,0,0]=4 33711 B13R1.1711 CCC(C)NCC1CCCCCC1 2230a_100015204231_100000758301 [0,1,0,1,0,0|2,0,0]=4 33712 B13R1.1711 CCC(C)NCC1CCCCCC1 269862a_100000209981_200000763224 [0,1,0,1,0,0|2,0,0]=4 33713 B13R1.1711 CCC(C)NCC1CCCCCC1 34a_100015204231_100011215416 [0,1,0,1,0,0|2,0,0]=4 33714 B13R1.1711 CCC(C)OCC1CCCCCC1 34a_100000699130_100011215416 [0,1,0,1,0,0|2,0,0]=4 33715 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000210228_200000696569 [0,1,0,1,0,0|2,0,0]=4 33716 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000699130_100000758301 [0,1,0,1,0,0|2,0,0]=4 33717 B13R1.1711 CCC(C)SCC1CCCCCC1 62a_100000758301_200000696569 [0,1,0,1,0,0|2,0,0]=4 33718 B13R1.1711 CCC(C)SCC1CCCCCC1 62a_200000696569_100000758301 [0,1,0,1,0,0|2,0,0]=4 33719 B13R1.1711 CCC(O)CNC1CCCCCC1 2230a_100000210984_100011218378 [0,1,0,1,0,0|2,0,0]=4 33720 B13R1.1711 CCC(O)CNC1CCCCCC1 270004a_100011218483_100000210131 [0,1,0,1,0,0|2,0,0]=4 33721 B13R1.1711 CCC(O)CNC1CCCCCC1 34a_100000210984_100011218378 [0,1,0,1,0,0|2,0,0]=4 33722 B13R1.1711 CCC(O)COC1CCCCCC1 34a_100000210887_100011218378 [0,1,0,1,0,0|2,0,0]=4 33723 B13R1.1711 CCC(O)COC1CCCCCC1 7a_100000210887_100011218378 [0,1,0,1,0,0|2,0,0]=4 33724 B13R1.1711 CCC(O)CSC1CCCCCC1 62a_100011217769_100011218378 [0,1,0,1,0,0|2,0,0]=4 33725 B13R1.1711 CCC(O)CSC1CCCCCC1 62a_100011218378_100011217769 [0,1,0,1,0,0|2,0,0]=4 33726 B13R1.1711 CC[C@H](C)CNC1CCCCCC1 2230a_100000210984_100009816398 [0,1,0,1,0,0|2,0,0]=4 33727 B13R1.1711 CC[C@H](C)CNC1CCCCCC1 34a_100000210984_100009816398 [0,1,0,1,0,0|2,0,0]=4 33728 B13R1.1711 CC[C@H](C)COC1CCCCCC1 34a_100000210887_100009816398 [0,1,0,1,0,0|2,0,0]=4 33729 B13R1.1711 CC[C@H](C)COC1CCCCCC1 7a_100000210887_100009816398 [0,1,0,1,0,0|2,0,0]=4 33730 B13R1.1711 CC[C@H](C)CSC1CCCCCC1 62a_100009816398_100011217769 [0,1,0,1,0,0|2,0,0]=4 33731 B13R1.1711 CC[C@H](C)CSC1CCCCCC1 62a_100011217769_100009816398 [0,1,0,1,0,0|2,0,0]=4 33732 B13R1.1711 C[C@@H](CO)CNC1CCCCCC1 2230a_100000210984_100000059175 [0,1,0,1,0,0|1,0,0]=3 33733 B13R1.1711 C[C@@H](CO)CNC1CCCCCC1 34a_100000210984_100000059175 [0,1,0,1,0,0|1,0,0]=3 33734 B13R1.1711 C[C@@H](CO)COC1CCCCCC1 34a_100000210887_100000059175 [0,1,0,1,0,0|1,0,0]=3 33735 B13R1.1711 C[C@@H](CO)COC1CCCCCC1 7a_100000210887_100000059175 [0,1,0,1,0,0|1,0,0]=3 33736 B13R1.1711 C[C@@H](CO)CSC1CCCCCC1 62a_100000059175_100011217769 [0,1,0,1,0,0|1,0,0]=3 33737 B13R1.1711 C[C@@H](CO)CSC1CCCCCC1 62a_100011217769_100000059175 [0,1,0,1,0,0|1,0,0]=3 33738 B13R1.1711 C[C@H](CF)NCC1CCCCCC1 269862a_100102880703_200000763224 [0,1,0,1,0,0|2,0,0]=4 33739 B13R1.1711 C[C@H](CO)NCC1CCCCCC1 2230a_100000737577_200000696569 [0,1,0,1,0,0|1,0,0]=3 33740 B13R1.1711 C[C@H](CO)NCC1CCCCCC1 269862a_100000737577_200000763224 [0,1,0,1,0,0|1,0,0]=3 33741 B13R1.1711 C[C@H](CO)SCC1CCCCCC1 62a_100016084084_200000696569 [0,1,0,1,0,0|1,0,0]=3 33742 B13R1.1711 C[C@H](CO)SCC1CCCCCC1 62a_200000696569_100016084084 [0,1,0,1,0,0|1,0,0]=3 33743 B13R1.1711 ClCC(Cl)COC1CCCCCC1 34a_100000033668_100011217769 [0,1,0,1,0,0|2,0,0]=4 33744 B13R1.1711 NC[C@@H](F)COC1CCCCCC1 34a_100015665980_100011217769 [0,1,0,1,0,0|2,0,0]=4 33745 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|1,0,1]=4 33746 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|1,0,1]=4 33747 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|1,0,1]=4 33748 B13R1.1711 OCC(O)CNC1CCCCCC1 2230a_100000210984_100011219619 [0,1,0,1,0,0|1,0,0]=3 33749 B13R1.1711 OCC(O)CNC1CCCCCC1 34a_100000210984_100011219619 [0,1,0,1,0,0|1,0,0]=3 33750 B13R1.1711 OCC(O)COC1CCCCCC1 34a_100000210887_100011219619 [0,1,0,1,0,0|1,0,0]=3 33751 B13R1.1711 OCC(O)COC1CCCCCC1 7a_100000210887_100011219619 [0,1,0,1,0,0|1,0,0]=3 33752 B13R1.1711 OCC(O)CSC1CCCCCC1 62a_100011217769_100011219619 [0,1,0,1,0,0|1,0,0]=3 33753 B13R1.1711 OCC(O)CSC1CCCCCC1 62a_100011219619_100011217769 [0,1,0,1,0,0|1,0,0]=3 33754 B13R1.1711 OC[C@H](F)CNC1CCCCCC1 270004a_100015665980_100000210131 [0,1,0,1,0,0|1,0,0]=3 33755 B13R1.1711 OC[C@H](F)CNC1CCCCCC1 34a_100015665980_100011217769 [0,1,0,1,0,0|1,0,0]=3 33756 B13R1.1711 OC[C@H](F)CNC1CCCNCC1 270004a_100015665980_100015187895 [0,1,0,1,0,0|2,0,0]=4 33757 B13R1.1711 OC[C@H](O)CNC1CCCCCC1 2230a_100000210984_100009815848 [0,1,0,1,0,0|1,0,0]=3 33758 B13R1.1711 OC[C@H](O)CNC1CCCCCC1 34a_100000210984_100009815848 [0,1,0,1,0,0|1,0,0]=3 33759 B13R1.1711 OC[C@H](O)COC1CCCCCC1 34a_100000210887_100009815848 [0,1,0,1,0,0|1,0,0]=3 33760 B13R1.1711 OC[C@H](O)COC1CCCCCC1 7a_100000210887_100009815848 [0,1,0,1,0,0|1,0,0]=3 33761 B13R1.1711 OC[C@H](O)CSC1CCCCCC1 62a_100009815848_100011217769 [0,1,0,1,0,0|1,0,0]=3 33762 B13R1.1711 OC[C@H](O)CSC1CCCCCC1 62a_100011217769_100009815848 [0,1,0,1,0,0|1,0,0]=3 33763 B13R1.1711 O[C@@H](CF)CNC1CCCCCC1 2230a_100000210984_100015614560 [0,1,0,1,0,0|2,0,0]=4 33764 B13R1.1711 O[C@@H](CF)CNC1CCCCCC1 34a_100000210984_100015614560 [0,1,0,1,0,0|2,0,0]=4 33765 B13R1.1711 O[C@@H](CF)COC1CCCCCC1 34a_100000210887_100015614560 [0,1,0,1,0,0|2,0,0]=4 33766 B13R1.1711 O[C@@H](CF)COC1CCCCCC1 7a_100000210887_100015614560 [0,1,0,1,0,0|2,0,0]=4 33767 B13R1.1711 O[C@@H](CF)CSC1CCCCCC1 62a_100011217769_100015614560 [0,1,0,1,0,0|2,0,0]=4 33768 B13R1.1711 O[C@@H](CF)CSC1CCCCCC1 62a_100015614560_100011217769 [0,1,0,1,0,0|2,0,0]=4 33769 B13R1.1870 CC(CO)NC1CCCCCCC1 2230a_100000211152_100012180447 [0,1,0,1,0,0|1,0,0]=3 33770 B13R1.1870 CC(CO)NC1CCCCCCC1 34a_100000211152_100012180447 [0,1,0,1,0,0|1,0,0]=3 33771 B13R1.1870 CC(CO)OC1CCCCCCC1 34a_100000210054_100012180447 [0,1,0,1,0,0|1,0,0]=3 33772 B13R1.1870 CC(CO)OC1CCCCCCC1 7a_100000210054_100012180447 [0,1,0,1,0,0|1,0,0]=3 33773 B13R1.1870 CCC(C)CN1CCCCCCC1 2230a_100000211400_100000748023 [0,1,0,1,0,0|2,0,0]=4 33774 B13R1.1870 CCC(C)CN1CCCCCCC1 269982a_100000211400_100000748023 [0,1,0,1,0,0|2,0,0]=4 33775 B13R1.1870 CCC(C)CN1CCCCCCC1 270004a_100000211400_100000243153 [0,1,0,1,0,0|2,0,0]=4 33776 B13R1.1870 CCC(C)CN1CCCCCCC1 34a_100000211400_100000748023 [0,1,0,1,0,0|2,0,0]=4 33777 B13R1.1870 CCC(C)NC1CCCCCCC1 2230a_100000211152_100000758301 [0,1,0,1,0,0|2,0,0]=4 33778 B13R1.1870 CCC(C)NC1CCCCCCC1 270004a_100000209981_100000210524 [0,1,0,1,0,0|2,0,0]=4 33779 B13R1.1870 CCC(C)NC1CCCCCCC1 34a_100000211152_100011215416 [0,1,0,1,0,0|2,0,0]=4 33780 B13R1.1870 CCC(C)OC1CCCCCCC1 34a_100000210054_100011215416 [0,1,0,1,0,0|2,0,0]=4 33781 B13R1.1870 CCC(C)OC1CCCCCCC1 7a_100000210054_100000758301 [0,1,0,1,0,0|2,0,0]=4 33782 B13R1.1870 CCC(O)CN1CCCCCCC1 2230a_100000211400_100011218378 [0,1,0,1,0,0|2,0,0]=4 33783 B13R1.1870 CCC(O)CN1CCCCCCC1 269982a_100000211400_100011218378 [0,1,0,1,0,0|2,0,0]=4 33784 B13R1.1870 CCC(O)CN1CCCCCCC1 34a_100000211400_100011218378 [0,1,0,1,0,0|2,0,0]=4 33785 B13R1.1870 CC[C@H](C)CN1CCCCCCC1 2230a_100000211400_100009816398 [0,1,0,1,0,0|2,0,0]=4 33786 B13R1.1870 CC[C@H](C)CN1CCCCCCC1 269982a_100000211400_100009816398 [0,1,0,1,0,0|2,0,0]=4 33787 B13R1.1870 CC[C@H](C)CN1CCCCCCC1 34a_100000211400_100009816398 [0,1,0,1,0,0|2,0,0]=4 33788 B13R1.1870 C[C@@H](CO)CN1CCCCCCC1 2230a_100000211400_100000059175 [0,1,0,1,0,0|1,0,0]=3 33789 B13R1.1870 C[C@@H](CO)CN1CCCCCCC1 269982a_100000211400_100000059175 [0,1,0,1,0,0|1,0,0]=3 33790 B13R1.1870 C[C@@H](CO)CN1CCCCCCC1 34a_100000211400_100000059175 [0,1,0,1,0,0|1,0,0]=3 33791 B13R1.1870 C[C@H](CF)NC1CCCCCCC1 270004a_100102880703_100000210524 [0,1,0,1,0,0|2,0,0]=4 33792 B13R1.1870 C[C@H](CO)NC1CCCCCCC1 270004a_100000737577_100000210524 [0,1,0,1,0,0|1,0,0]=3 33793 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,1,0,1,0,0|1,0,1]=4 33794 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,1,0,1,0,0|1,0,1]=4 33795 B13R1.1870 OCC(O)CN1CCCCCCC1 2230a_100000211400_100011219619 [0,1,0,1,0,0|1,0,0]=3 33796 B13R1.1870 OCC(O)CN1CCCCCCC1 34a_100000211400_100011219619 [0,1,0,1,0,0|1,0,0]=3 33797 B13R1.1870 OC[C@H](O)CN1CCCCCCC1 2230a_100000211400_100009815848 [0,1,0,1,0,0|1,0,0]=3 33798 B13R1.1870 OC[C@H](O)CN1CCCCCCC1 34a_100000211400_100009815848 [0,1,0,1,0,0|1,0,0]=3 33799 B13R1.1870 O[C@@H](CF)CN1CCCCCCC1 2230a_100000211400_100015614560 [0,1,0,1,0,0|2,0,0]=4 33800 B13R1.1870 O[C@@H](CF)CN1CCCCCCC1 34a_100000211400_100015614560 [0,1,0,1,0,0|2,0,0]=4 33801 B13R1.2437 CCCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210681 [0,1,0,1,0,0|2,0,0]=4 33802 B13R1.2437 CCCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210681 [0,1,0,1,0,0|2,0,0]=4 33803 B13R1.2437 C[C@H]1[C@H](CN1CCCCCCF)O 2230a_206633788156_100015922095 [0,1,0,1,0,0|2,0,0]=4 33804 B13R1.2437 C[C@H]1[C@H](CN1CCCCCCF)O 269982a_206633788156_100015922095 [0,1,0,1,0,0|2,0,0]=4 33805 B13R1.2437 C[C@H]1[C@H](CN1CCCCCCO)O 2230a_206633788156_100000766143 [0,1,0,1,0,0|1,0,0]=3 33806 B13R1.2437 C[C@H]1[C@H](CN1CCCCCCO)O 269982a_206633788156_100000766143 [0,1,0,1,0,0|1,0,0]=3 33807 B13R1.2938 CC1(CC1)CNCCCCCCF 2230a_100000766693_100015922095 [0,1,0,1,0,0|2,0,0]=4 33808 B13R1.2938 CC1(CC1)CNCCCCCCO 2230a_100000766693_100000766143 [0,1,0,1,0,0|1,0,0]=3 33809 B13R1.2938 CC1(CC1)COCCCCCCF 7a_100000698024_100015922095 [0,1,0,1,0,0|2,0,0]=4 33810 B13R1.2938 CC1(CC1)COCCCCCCO 7a_100000698024_100000766143 [0,1,0,1,0,0|1,0,0]=3 33811 B13R1.2938 CC1(CC1)NCCCCCCCO 2230a_100000757604_100000760002 [0,1,0,1,0,0|1,0,0]=3 33812 B13R1.2938 CC1(CC1)OCCCCCCCO 7a_100011725673_100000760002 [0,1,0,1,0,0|1,0,0]=3 33813 B13R1.2938 CC1(CO1)CNCCCCCCO 34a_100000686447_100000760498 [0,1,0,1,0,0|2,0,0]=4 33814 B13R1.2938 CC1(CO1)COCCCCCCBr 34a_100011215345_100000760498 [0,1,0,1,0,0|2,0,0]=4 33815 B13R1.2938 CC1(CO1)COCCCCCCCl 34a_100000766143_100000760498 [0,1,0,1,0,0|2,0,0]=4 33816 B13R1.2938 CC1(CO1)COCCCCCCF 34a_100000732779_100000760498 [0,1,0,1,0,0|2,0,0]=4 33817 B13R1.2938 CC1(CO1)COCCCCCCN 34a_100000686447_100000760498 [0,1,0,1,0,0|2,0,0]=4 33818 B13R1.2938 CC1(CO1)CSCCCCCCF 62a_100000760498_100015922095 [0,1,0,1,0,0|2,0,0]=4 33819 B13R1.2938 CC1(CO1)CSCCCCCCF 62a_100015922095_100000760498 [0,1,0,1,0,0|2,0,0]=4 33820 B13R1.2938 CC1(CO1)CSCCCCCCO 62a_100000760498_100000766143 [0,1,0,1,0,0|2,0,0]=4 33821 B13R1.2938 CC1(CO1)CSCCCCCCO 62a_100000766143_100000760498 [0,1,0,1,0,0|2,0,0]=4 33822 B13R1.2938 CCCCCCCCNC1(CC1)C 2230a_100000757604_100000210759 [0,1,0,1,0,0|2,0,0]=4 33823 B13R1.2938 CCCCCCCCOC1(CC1)C 7a_100011725673_100000210759 [0,1,0,1,0,0|2,0,0]=4 33824 B13R1.2938 CCCCCCCNCC1(CC1)C 2230a_100000766693_100000210681 [0,1,0,1,0,0|2,0,0]=4 33825 B13R1.2938 CCCCCCCNCC1(CC1)O 2230a_100011936951_100000210681 [0,1,0,1,0,0|2,0,0]=4 33826 B13R1.2938 CCCCCCCOCC1(CC1)C 7a_100000698024_100000210614 [0,1,0,1,0,0|2,0,0]=4 33827 B13R1.2938 CCCCCCCOCC1(CC1)F 34a_200000703853_100000210614 [0,1,0,1,0,0|2,0,0]=4 33828 B13R1.2938 CCCCCCCOCC1(CC1)F 7a_200000703853_100000210614 [0,1,0,1,0,0|2,0,0]=4 33829 B13R1.2938 CCCCCCCOCC1(CO1)C 34a_100000210272_100000760498 [0,1,0,1,0,0|1,0,0]=3 33830 B13R1.2938 CCCCCCCSCC1(CO1)C 62a_100000210614_100000760498 [0,1,0,1,0,0|1,0,0]=3 33831 B13R1.2938 CCCCCCCSCC1(CO1)C 62a_100000760498_100000210316 [0,1,0,1,0,0|1,0,0]=3 33832 B13R1.2938 CCCCOCCOCC1(CO1)C 34a_100000210238_100000760498 [0,1,0,1,0,0|2,0,0]=4 33833 B13R1.2938 CCCCOCCSCC1(CO1)C 62a_100000743108_100000760498 [0,1,0,1,0,0|2,0,0]=4 33834 B13R1.2938 CCCCOCCSCC1(CO1)C 62a_100000760498_100000743108 [0,1,0,1,0,0|2,0,0]=4 33835 B13R1.2938 CCCCSCCOCC1(CO1)C 34a_200000230436_100000760498 [0,1,0,1,0,0|2,0,0]=4 33836 B13R1.2938 CCCOCCCNCC1(CO1)C 34a_100011217757_100000760498 [0,1,0,1,0,0|2,0,0]=4 33837 B13R1.2938 CNCCCCCOCC1(CO1)C 34a_100000722520_100000760498 [0,1,0,1,0,0|2,0,0]=4 33838 B13R1.2938 COCCCCCNCC1(CO1)C 34a_100000747528_100000760498 [0,1,0,1,0,0|2,0,0]=4 33839 B13R1.2938 FCCCCCCOCC1(CC1)F 34a_200000703853_100015922095 [0,1,0,1,0,0|2,0,0]=4 33840 B13R1.2938 FCCCCCCOCC1(CC1)F 7a_200000703853_100015922095 [0,1,0,1,0,0|2,0,0]=4 33841 B13R1.2938 OC1(CC1)CNCCCCCCF 2230a_100011936951_100015922095 [0,1,0,1,0,0|2,0,0]=4 33842 B13R1.2938 OCCCCCCNCC1(CC1)O 2230a_100011936951_100000766143 [0,1,0,1,0,0|1,0,0]=3 33843 B13R1.2938 OCCCCCCOCC1(CC1)F 34a_200000703853_100000766143 [0,1,0,1,0,0|1,0,0]=3 33844 B13R1.2938 OCCCCCCOCC1(CC1)F 7a_200000703853_100000766143 [0,1,0,1,0,0|1,0,0]=3 33845 B13R2.15 CN1CCCC1C2CCCCC2 2230a_100011206067_200000210301 [0,0,0,2,0,0|2,0,0]=4 33846 B13R2.15 CN1CCCC1C2CCCCC2 269982a_100011206067_200000210301 [0,0,0,2,0,0|2,0,0]=4 33847 B13R2.15 CN1CCCC1C2CCCCC2 34a_100011206067_200000210301 [0,0,0,2,0,0|2,0,0]=4 33848 B13R2.15 C[C@@H]1CCCN1C2CCCCC2 269982a_100015189458_100000210327 [0,0,0,2,0,0|2,0,0]=4 33849 B13R2.15 C[C@@H]1CCCN1C2CCCCC2 270004a_100015189458_100000210434 [0,0,0,2,0,0|2,0,0]=4 33850 B13R2.15 C[C@@H]1CCCN1C2CCCCC2 34a_100015189458_100000210327 [0,0,0,2,0,0|2,0,0]=4 33851 B13R2.15 C[C@H]1CCCN1C2CCCCC2 269982a_100020605311_100000210327 [0,0,0,2,0,0|2,0,0]=4 33852 B13R2.15 C[C@H]1CCCN1C2CCCCC2 270004a_100020605311_100000210434 [0,0,0,2,0,0|2,0,0]=4 33853 B13R2.15 O[C@@H]1CCC[C@H]1N2CCCOC2 269982a_100000131196_200016002552 [0,0,0,2,0,0|2,0,0]=4 33854 B13R2.15 O[C@@H]1CCC[C@H]1N2CCOCC2 269982a_100015191051_200016002552 [0,0,0,2,0,0|2,0,0]=4 33855 B13R2.15 O[C@@H]1CCC[C@H]1N2CCSCC2 269982a_100000737611_200016002552 [0,0,0,2,0,0|2,0,0]=4 33856 B13R2.15 [13CH3]N1CCCC1C2CCCCC2 2230a_100011206067_200025704644 [0,0,0,2,0,0|2,0,0]=4 33857 B13R2.15 [13CH3]N1CCCC1C2CCCCC2 269982a_100011206067_200025704644 [0,0,0,2,0,0|2,0,0]=4 33858 B13R2.15 [13CH3]N1CCCC1C2CCCCC2 34a_100011206067_200025704644 [0,0,0,2,0,0|2,0,0]=4 33859 B13R2.17 CC1CC1COC2CCCCC2 34a_100000744939_100000210327 [0,0,0,2,0,0|2,0,0]=4 33860 B13R2.17 CC1CC1COC2CCCCC2 7a_100000744939_100000210327 [0,0,0,2,0,0|2,0,0]=4 33861 B13R2.17 F[C@@H]1C[C@H]1NCC2CCCCC2 2230a_100025746932_100000211423 [0,0,0,2,0,0|2,0,0]=4 33862 B13R2.17 F[C@@H]1C[C@H]1NCC2CCCCC2 34a_100025746932_100000211423 [0,0,0,2,0,0|2,0,0]=4 33863 B13R2.17 F[C@@H]1C[C@H]1NCC2CCCCO2 2230a_100025746932_100000211543 [0,0,0,2,0,0|2,0,0]=4 33864 B13R2.17 F[C@@H]1C[C@H]1NCC2CCCCO2 34a_100025746932_100000211543 [0,0,0,2,0,0|2,0,0]=4 33865 B13R2.17 F[C@H]1C[C@H]1NCC2CCCCC2 2230a_100015190264_100000211423 [0,0,0,2,0,0|2,0,0]=4 33866 B13R2.17 F[C@H]1C[C@H]1NCC2CCCCO2 2230a_100015190264_100000211543 [0,0,0,2,0,0|2,0,0]=4 33867 B13R2.27 CC1CCN1CC2CCCCC2 269982a_100000755817_100000211423 [0,0,0,2,0,0|2,0,0]=4 33868 B13R2.27 CC1CCN1CC2CCCCC2 34a_100000755817_100000211423 [0,0,0,2,0,0|2,0,0]=4 33869 B13R2.27 CC1CCN1CC2CCCCO2 269982a_100000755817_100000211543 [0,0,0,2,0,0|1,0,0]=3 33870 B13R2.27 CC1CCN1CC2CCCCO2 34a_100000755817_100000211543 [0,0,0,2,0,0|1,0,0]=3 33871 B13R2.40 CCNCC1CC12CCCCC2 2230a_100015185624_100000210202 [0,0,0,2,0,0|2,0,0]=4 33872 B13R2.40 CCNCC1CC12CCCCC2 34a_100015185624_100000210202 [0,0,0,2,0,0|2,0,0]=4 33873 B13R2.40 FCNCC1CC12CCCCC2 34a_100015185624_100015361967 [0,0,0,2,0,0|2,0,0]=4 33874 B13R2.64 C1CCC(CC1)CN2CCCC2 2230a_100000188435_100000211423 [0,0,0,2,0,0|2,0,0]=4 33875 B13R2.64 C1CCC(CC1)CN2CCCC2 269982a_100000188435_100000211423 [0,0,0,2,0,0|2,0,0]=4 33876 B13R2.64 C1CCC(CC1)NC2CCCC2 2230a_100000182618_100000179811 [0,0,0,2,0,0|2,0,0]=4 33877 B13R2.64 C1CCC(CC1)NC2CCCC2 270004a_100000182618_100000210133 [0,0,0,2,0,0|2,0,0]=4 33878 B13R2.64 C1CCC(CC1)NC2CCCC2 270004a_100000211070_100000210434 [0,0,0,2,0,0|2,0,0]=4 33879 B13R2.64 C1CCC(CC1)NC2CCCC2 34a_100000182618_100000179811 [0,0,0,2,0,0|2,0,0]=4 33880 B13R2.64 C1CCC(CC1)NC2CCCC2 34a_100000211070_100000210327 [0,0,0,2,0,0|2,0,0]=4 33881 B13R2.64 C1CCC(CC1)OC2CCCC2 34a_100000210231_100000179811 [0,0,0,2,0,0|2,0,0]=4 33882 B13R2.64 C1CCC(CC1)OC2CCCC2 34a_100000210269_100000210327 [0,0,0,2,0,0|2,0,0]=4 33883 B13R2.64 C1CCC(CC1)OC2CCCC2 7a_100000210231_100000179811 [0,0,0,2,0,0|2,0,0]=4 33884 B13R2.64 C1CCC(CC1)OC2CCCC2 7a_100000210269_100000210327 [0,0,0,2,0,0|2,0,0]=4 33885 B13R2.64 C1CCC(CC1)OC2CCCO2 34a_100000085407_100000210327 [0,0,0,2,0,0|1,0,0]=3 33886 B13R2.64 C1CCC(CC1)SC2CCCC2 62a_100000210327_100000179811 [0,0,0,2,0,0|2,0,0]=4 33887 B13R2.64 C1CCC(CC1)SC2CCCC2 62a_100011217020_100000210327 [0,0,0,2,0,0|2,0,0]=4 33888 B13R2.64 C1CCC(OC1)CN2CCCC2 2230a_100000188435_100000211543 [0,0,0,2,0,0|1,0,0]=3 33889 B13R2.64 C1CCC(OC1)CN2CCCC2 269982a_100000188435_100000211543 [0,0,0,2,0,0|1,0,0]=3 33890 B13R2.64 C1CCC(OC1)CN2CCSC2 2230a_100011215254_100000211543 [0,0,0,2,0,0|2,0,0]=4 33891 B13R2.64 C1CCC(OC1)CN2CCSC2 269982a_100011215254_100000211543 [0,0,0,2,0,0|2,0,0]=4 33892 B13R2.64 C1CCC(OC1)OC2CCCC2 34a_100000033831_100000179811 [0,0,0,2,0,0|1,0,0]=3 33893 B13R2.64 C1CCC(OC1)OC2CCOC2 34a_100000033831_100000690089 [0,0,0,2,0,0|2,0,0]=4 33894 B13R2.64 C1COC(C1)CN2CCCOC2 2230a_100000131196_100000203698 [0,0,0,2,0,0|2,0,0]=4 33895 B13R2.64 C1COC(C1)CN2CCCOC2 269982a_100000131196_100000183445 [0,0,0,2,0,0|2,0,0]=4 33896 B13R2.64 C1COC(C1)CN2CCOCC2 2230a_100015191051_100000203698 [0,0,0,2,0,0|2,0,0]=4 33897 B13R2.64 C1COC(C1)CN2CCOCC2 269982a_100015191051_100000183445 [0,0,0,2,0,0|2,0,0]=4 33898 B13R2.64 C1COC(C1)CN2CCSCC2 2230a_100000737611_100000203698 [0,0,0,2,0,0|2,0,0]=4 33899 B13R2.64 C1COC(C1)CN2CCSCC2 269982a_100000737611_100000183445 [0,0,0,2,0,0|2,0,0]=4 33900 B13R2.64 C1COC(C1)OC2CCSCC2 34a_100000085407_100000069128 [0,0,0,2,0,0|2,0,0]=4 33901 B13R2.64 C1COCC(C1)OC2CCCO2 34a_100000085407_100000693364 [0,0,0,2,0,0|2,0,0]=4 33902 B13R2.256 OCCN1CCN2CCC1CC2 269982a_100000027273_100000211926 [0,0,0,2,0,0|2,0,0]=4 33903 B13R2.510 CCCCN1CC2CCC1CC2 2230a_100000750499_100000210211 [0,0,0,2,0,0|2,0,0]=4 33904 B13R2.510 CCCCN1CC2CCC1CC2 269982a_100000750499_100000210211 [0,0,0,2,0,0|2,0,0]=4 33905 B13R2.510 CCCCN1CC2CCC1CC2 34a_100000750499_100000210210 [0,0,0,2,0,0|2,0,0]=4 33906 B13R2.510 FCCCN1CC2CCC1CC2 2230a_100000750499_100011934791 [0,0,0,2,0,0|2,0,0]=4 33907 B13R2.510 FCCCN1CC2CCC1CC2 269982a_100000750499_100011934791 [0,0,0,2,0,0|2,0,0]=4 33908 B13R2.510 FCCCN1CC2CCC1CC2 34a_100000750499_100011934791 [0,0,0,2,0,0|2,0,0]=4 33909 B13R2.510 OCCCN1CC2CCC1CC2 2230a_100000750499_100000230001 [0,0,0,2,0,0|1,0,0]=3 33910 B13R2.510 OCCCN1CC2CCC1CC2 269982a_100000750499_100011215043 [0,0,0,2,0,0|1,0,0]=3 33911 B13R2.510 OCCCN1CC2CCC1CC2 34a_100000750499_100000230001 [0,0,0,2,0,0|1,0,0]=3 33912 B13R2.510 OCCN[C@H]1CN2CCC1CC2 2230a_100016987387_100000211926 [0,0,0,2,0,0|2,0,0]=4 33913 B13R2.745 CCCCCCN1CC2CC2C1 2230a_100000741873_100000210314 [0,0,0,2,0,0|2,0,0]=4 33914 B13R2.745 CCCCCCN1CC2CC2C1 269982a_100000741873_100000210757 [0,0,0,2,0,0|2,0,0]=4 33915 B13R2.745 CCCCCCN1CC2CC2C1 34a_100000741873_100000210314 [0,0,0,2,0,0|2,0,0]=4 33916 B13R2.745 CCCCCNC1CC2CC2C1 270004a_100000209983_100010340937 [0,0,0,2,0,0|2,0,0]=4 33917 B13R2.745 FCCCCCN1CC2CC2C1 2230a_100000741873_100000729378 [0,0,0,2,0,0|2,0,0]=4 33918 B13R2.745 FCCCCCN1CC2CC2C1 269982a_100000741873_100000729378 [0,0,0,2,0,0|2,0,0]=4 33919 B13R2.745 FCCCCCN1CC2CC2C1 34a_100000741873_100000729378 [0,0,0,2,0,0|2,0,0]=4 33920 B13R2.745 OCCCCCN1CC2CC2C1 2230a_100000741873_100000746330 [0,0,0,2,0,0|1,0,0]=3 33921 B13R2.745 OCCCCCN1CC2CC2C1 269982a_100000741873_100000746330 [0,0,0,2,0,0|1,0,0]=3 33922 B13R2.745 OCCCCCN1CC2CC2C1 34a_100000741873_100000746330 [0,0,0,2,0,0|1,0,0]=3 33923 B13R2.745 OCCCCNC1CC2CC2C1 270004a_100000750430_100010340937 [0,0,0,2,0,0|1,0,0]=3 33924 B13R2.745 OCCOCCN1CC2CC2C1 2230a_100000741873_100011215305 [0,0,0,2,0,0|2,0,0]=4 33925 B13R2.745 OCCOCCN1CC2CC2C1 269982a_100000741873_100011215305 [0,0,0,2,0,0|2,0,0]=4 33926 B13R2.745 OCCOCCN1CC2CC2C1 34a_100000741873_100000692535 [0,0,0,2,0,0|2,0,0]=4 33927 B13R2.1234 OCCCCNC1C2C1COC2 2230a_100000702821_100000210776 [0,0,0,2,0,0|2,0,0]=4 33928 B13R2.1234 OCCCCNC1C2C1COC2 34a_100000702821_100011216708 [0,0,0,2,0,0|2,0,0]=4 33929 B13R2.1234 OCCCOCC1C2C1CNC2 34a_100000045132_100000230001 [0,0,0,2,0,0|2,0,0]=4 33930 B13R2.1613 CCN1CCCC2C1CCCC2 2230a_100000211887_100000210202 [0,0,0,2,0,0|2,0,0]=4 33931 B13R2.1613 CCN1CCCC2C1CCCC2 269982a_100000211887_100000204670 [0,0,0,2,0,0|2,0,0]=4 33932 B13R2.1613 CCN1CCCC2C1CCCC2 34a_100000211887_100000210202 [0,0,0,2,0,0|2,0,0]=4 33933 B13R2.1613 CNC1CCCC2C1CCCC2 269862a_106832991636_100000032293 [0,0,0,2,0,0|2,0,0]=4 33934 B13R2.1613 COC1CCCC2C1CCCC2 34a_100000042559_200000210301 [0,0,0,2,0,0|2,0,0]=4 33935 B13R2.1613 COC1CCCC2C1CCCC2 7a_100000042559_200000210301 [0,0,0,2,0,0|2,0,0]=4 33936 B13R2.1613 FCN1CCCC2C1CCCC2 269982a_100000211887_100015361967 [0,0,0,2,0,0|2,0,0]=4 33937 B13R2.1613 FCN1CCCC2C1CCCC2 34a_100000211887_100015361967 [0,0,0,2,0,0|2,0,0]=4 33938 B13R2.1613 [13CH3]OC1CCCC2C1CCCC2 34a_100000042559_200025704644 [0,0,0,2,0,0|2,0,0]=4 33939 B13R2.1613 [13CH3]OC1CCCC2C1CCCC2 7a_100000042559_200025704644 [0,0,0,2,0,0|2,0,0]=4 33940 B13R2.2382 C(CC1CO1)CN2CCOCC2 2230a_100015191051_100000733510 [0,0,0,2,0,0|2,0,0]=4 33941 B13R2.2382 C(CC1CO1)CN2CCOCC2 269982a_100015191051_100000733510 [0,0,0,2,0,0|2,0,0]=4 33942 B13R2.2382 C(CC1CO1)CN2CCOCC2 34a_100015191051_100000733510 [0,0,0,2,0,0|2,0,0]=4 33943 B13R2.2382 C(CC1CO1)CN2CCSCC2 2230a_100000737611_100000733510 [0,0,0,2,0,0|2,0,0]=4 33944 B13R2.2382 C(CC1CO1)CN2CCSCC2 269982a_100000737611_100000733510 [0,0,0,2,0,0|2,0,0]=4 33945 B13R2.2382 C(CC1CO1)NC2CCOCC2 2230a_100000741149_100000732470 [0,0,0,2,0,0|2,0,0]=4 33946 B13R2.2382 C(CC1CO1)NC2CCOCC2 34a_100000741149_100000732470 [0,0,0,2,0,0|2,0,0]=4 33947 B13R2.2382 C(CC1CO1)NC2CCSCC2 2230a_100000748639_100000732470 [0,0,0,2,0,0|2,0,0]=4 33948 B13R2.2382 C(CC1CO1)NC2CCSCC2 34a_100000748639_100000732470 [0,0,0,2,0,0|2,0,0]=4 33949 B13R2.2382 C(CC1CO1)OC2CCSCC2 34a_100000731022_100000732470 [0,0,0,2,0,0|2,0,0]=4 33950 B13R2.2382 C(CC1CO1)OC2CCSCC2 7a_100000731022_100000732470 [0,0,0,2,0,0|2,0,0]=4 33951 B13R2.2382 C(C[C@@H]1CO1)OC2CCSCC2 34a_100009820653_100000069128 [0,0,0,2,0,0|2,0,0]=4 33952 B13R2.2382 C1CC(CCN1)COCC2CO2 34a_100000738675_102125554688 [0,0,0,2,0,0|2,0,0]=4 33953 B13R2.2382 C1CC(CCO1)CNCC2CO2 2230a_100000746373_100011216344 [0,0,0,2,0,0|2,0,0]=4 33954 B13R2.2382 C1CC(CCO1)CNCC2CO2 34a_100000746373_102125554688 [0,0,0,2,0,0|2,0,0]=4 33955 B13R2.2382 C1CC(CCO1)COCC2CO2 34a_100000749013_102125554688 [0,0,0,2,0,0|2,0,0]=4 33956 B13R2.2382 C1CC(CCO1)COC[C@@H]2CO2 34a_100000757423_100000754603 [0,0,0,2,0,0|2,0,0]=4 33957 B13R2.2382 C1CC(CCO1)CSCC2CO2 62a_100000754603_102125554688 [0,0,0,2,0,0|2,0,0]=4 33958 B13R2.2382 C1CC(CCO1)CSCC2CO2 62a_102125554688_100000749018 [0,0,0,2,0,0|2,0,0]=4 33959 B13R2.2382 C1CC(CCO1)CSC[C@@H]2CO2 62a_100000745022_100000749018 [0,0,0,2,0,0|2,0,0]=4 33960 B13R2.2382 C1CC(CCO1)CSC[C@@H]2CO2 62a_100000754603_100000745022 [0,0,0,2,0,0|2,0,0]=4 33961 B13R2.2382 C1CC(CCO1)OCCC2CO2 34a_100000744328_100000732470 [0,0,0,2,0,0|2,0,0]=4 33962 B13R2.2382 C1CC(CCO1)SCCC2CO2 62a_100000732470_100011324220 [0,0,0,2,0,0|2,0,0]=4 33963 B13R2.2382 C1CC(CCS1)CNCC2CO2 2230a_100015188806_100011216344 [0,0,0,2,0,0|2,0,0]=4 33964 B13R2.2382 C1CC(CCS1)CNCC2CO2 34a_100015188806_102125554688 [0,0,0,2,0,0|2,0,0]=4 33965 B13R2.2382 C1CC(CCS1)COCC2CO2 34a_100000070558_102125554688 [0,0,0,2,0,0|2,0,0]=4 33966 B13R2.2382 C1CC(CCS1)COCC2CO2 7a_100000070558_102125554688 [0,0,0,2,0,0|2,0,0]=4 33967 B13R2.2382 C1CC(CCS1)COC[C@@H]2CO2 7a_100000070558_100000745022 [0,0,0,2,0,0|2,0,0]=4 33968 B13R2.2382 C1CC(CCS1)SCCC2CO2 62a_100000732470_100000069128 [0,0,0,2,0,0|2,0,0]=4 33969 B13R2.2382 C1CCC(CC1)CCNC2CC2 34a_100000212008_100011209188 [0,0,0,2,0,0|2,0,0]=4 33970 B13R2.2382 C1CCC(CC1)CCNC2CC2 34a_100000738074_100000211595 [0,0,0,2,0,0|2,0,0]=4 33971 B13R2.2382 C1CCC(CC1)CCOC2CC2 34a_100011217863_100000211595 [0,0,0,2,0,0|2,0,0]=4 33972 B13R2.2382 C1CCC(CC1)CCSC2CC2 62a_100012355289_100000211595 [0,0,0,2,0,0|2,0,0]=4 33973 B13R2.2382 C1CCC(CC1)CNCC2CC2 2230a_100000210473_100000742324 [0,0,0,2,0,0|2,0,0]=4 33974 B13R2.2382 C1CCC(CC1)CNCC2CC2 2230a_100000735609_100000211423 [0,0,0,2,0,0|2,0,0]=4 33975 B13R2.2382 C1CCC(CC1)CNCC2CC2 269862a_100000210473_100000741477 [0,0,0,2,0,0|2,0,0]=4 33976 B13R2.2382 C1CCC(CC1)CNCC2CC2 34a_100000210473_100000742324 [0,0,0,2,0,0|2,0,0]=4 33977 B13R2.2382 C1CCC(CC1)CNCC2CC2 34a_100000735609_100000211423 [0,0,0,2,0,0|2,0,0]=4 33978 B13R2.2382 C1CCC(CC1)CNCC2CO2 2230a_100000210473_100011216344 [0,0,0,2,0,0|1,0,0]=3 33979 B13R2.2382 C1CCC(CC1)CNCC2CO2 34a_100000210473_102125554688 [0,0,0,2,0,0|1,0,0]=3 33980 B13R2.2382 C1CCC(CC1)COCC2CC2 34a_100000211283_100000211423 [0,0,0,2,0,0|2,0,0]=4 33981 B13R2.2382 C1CCC(CC1)COCC2CC2 34a_100000212181_100000742324 [0,0,0,2,0,0|2,0,0]=4 33982 B13R2.2382 C1CCC(CC1)COCC2CC2 7a_100000212181_100000742324 [0,0,0,2,0,0|2,0,0]=4 33983 B13R2.2382 C1CCC(CC1)COCC2CO2 34a_100000212181_102125554688 [0,0,0,2,0,0|1,0,0]=3 33984 B13R2.2382 C1CCC(CC1)COCC2CO2 7a_100000212181_102125554688 [0,0,0,2,0,0|1,0,0]=3 33985 B13R2.2382 C1CCC(CC1)COCC2CS2 7a_100000212181_100000031435 [0,0,0,2,0,0|1,1,0]=4 33986 B13R2.2382 C1CCC(CC1)COC[C@@H]2CO2 34a_100000757423_100000211423 [0,0,0,2,0,0|1,0,0]=3 33987 B13R2.2382 C1CCC(CC1)COC[C@@H]2CO2 7a_100000212181_100000745022 [0,0,0,2,0,0|1,0,0]=3 33988 B13R2.2382 C1CCC(CC1)CSCC2CC2 62a_100000211423_100000742324 [0,0,0,2,0,0|2,0,0]=4 33989 B13R2.2382 C1CCC(CC1)CSCC2CC2 62a_100000756562_100000211423 [0,0,0,2,0,0|2,0,0]=4 33990 B13R2.2382 C1CCC(CC1)CSCC2CO2 62a_100000211423_102125554688 [0,0,0,2,0,0|1,0,0]=3 33991 B13R2.2382 C1CCC(CC1)CSCC2CO2 62a_102125554688_100000211423 [0,0,0,2,0,0|1,0,0]=3 33992 B13R2.2382 C1CCC(CC1)CSCC2CS2 62a_100000031435_100000211423 [0,0,0,2,0,0|1,1,0]=4 33993 B13R2.2382 C1CCC(CC1)CSCC2CS2 62a_100000211423_100000031435 [0,0,0,2,0,0|1,1,0]=4 33994 B13R2.2382 C1CCC(CC1)CSC[C@@H]2CO2 62a_100000211423_100000745022 [0,0,0,2,0,0|1,0,0]=3 33995 B13R2.2382 C1CCC(CC1)CSC[C@@H]2CO2 62a_100000745022_100000211423 [0,0,0,2,0,0|1,0,0]=3 33996 B13R2.2382 C1CCC(CC1)NCCC2CC2 2230a_100000182618_100000694398 [0,0,0,2,0,0|2,0,0]=4 33997 B13R2.2382 C1CCC(CC1)NCCC2CC2 270004a_100000764129_100000210434 [0,0,0,2,0,0|2,0,0]=4 33998 B13R2.2382 C1CCC(CC1)NCCC2CC2 34a_100000182618_100000694398 [0,0,0,2,0,0|2,0,0]=4 33999 B13R2.2382 C1CCC(CC1)NCCC2CC2 34a_100000764129_100000210327 [0,0,0,2,0,0|2,0,0]=4 34000 B13R2.2382 C1CCC(CC1)NCCC2CO2 2230a_100000182618_100000732470 [0,0,0,2,0,0|1,0,0]=3 34001 B13R2.2382 C1CCC(CC1)NCCC2CO2 34a_100000182618_100000732470 [0,0,0,2,0,0|1,0,0]=3 34002 B13R2.2382 C1CCC(CC1)OCCC2CC2 34a_100000210231_100000694398 [0,0,0,2,0,0|2,0,0]=4 34003 B13R2.2382 C1CCC(CC1)OCCC2CC2 34a_100000754188_100000210327 [0,0,0,2,0,0|2,0,0]=4 34004 B13R2.2382 C1CCC(CC1)OCCC2CC2 7a_100000210231_100000764125 [0,0,0,2,0,0|2,0,0]=4 34005 B13R2.2382 C1CCC(CC1)OCCC2CC2 7a_100000754188_100000210327 [0,0,0,2,0,0|2,0,0]=4 34006 B13R2.2382 C1CCC(CC1)OCCC2CO2 34a_100000210231_100000732470 [0,0,0,2,0,0|1,0,0]=3 34007 B13R2.2382 C1CCC(CC1)OCCC2CO2 7a_100000210231_100000732470 [0,0,0,2,0,0|1,0,0]=3 34008 B13R2.2382 C1CCC(CC1)OCC[C@@H]2CO2 34a_100009820653_100000210327 [0,0,0,2,0,0|1,0,0]=3 34009 B13R2.2382 C1CCC(CC1)SCCC2CC2 62a_100000210327_100000764125 [0,0,0,2,0,0|2,0,0]=4 34010 B13R2.2382 C1CCC(CC1)SCCC2CC2 62a_100000764125_100000210327 [0,0,0,2,0,0|2,0,0]=4 34011 B13R2.2382 C1CCC(CC1)SCCC2CO2 62a_100000210327_100000732470 [0,0,0,2,0,0|1,0,0]=3 34012 B13R2.2382 C1CCC(CC1)SCCC2CO2 62a_100000732470_100000210327 [0,0,0,2,0,0|1,0,0]=3 34013 B13R2.2382 C1CCC(NC1)CCOC2CC2 34a_100000211664_100000211595 [0,0,0,2,0,0|2,0,0]=4 34014 B13R2.2382 C1CCC(NC1)COCC2CC2 34a_100000210821_100000742324 [0,0,0,2,0,0|2,0,0]=4 34015 B13R2.2382 C1CCC(NC1)COCC2CO2 34a_100000210821_102125554688 [0,0,0,2,0,0|2,0,0]=4 34016 B13R2.2382 C1CCC(OC1)CCNC2CC2 34a_100015183643_100000211595 [0,0,0,2,0,0|1,0,0]=3 34017 B13R2.2382 C1CCC(OC1)CNCC2CC2 2230a_100000174945_100000742324 [0,0,0,2,0,0|1,0,0]=3 34018 B13R2.2382 C1CCC(OC1)CNCC2CC2 2230a_100000735609_100000211543 [0,0,0,2,0,0|1,0,0]=3 34019 B13R2.2382 C1CCC(OC1)CNCC2CC2 269862a_100000174945_100000741477 [0,0,0,2,0,0|1,0,0]=3 34020 B13R2.2382 C1CCC(OC1)CNCC2CC2 34a_100000174945_100000742324 [0,0,0,2,0,0|1,0,0]=3 34021 B13R2.2382 C1CCC(OC1)CNCC2CC2 34a_100000735609_100000211543 [0,0,0,2,0,0|1,0,0]=3 34022 B13R2.2382 C1CCC(OC1)CNCC2CO2 2230a_100000174945_100011216344 [0,0,0,2,0,0|2,0,0]=4 34023 B13R2.2382 C1CCC(OC1)CNCC2CO2 34a_100000174945_102125554688 [0,0,0,2,0,0|2,0,0]=4 34024 B13R2.2382 C1CCC(OC1)COCC2CC2 34a_100000211283_100000211543 [0,0,0,2,0,0|1,0,0]=3 34025 B13R2.2382 C1CCC(OC1)COCC2CC2 34a_100000211370_100000742324 [0,0,0,2,0,0|1,0,0]=3 34026 B13R2.2382 C1CCC(OC1)COCC2CC2 7a_100000211370_100000742324 [0,0,0,2,0,0|1,0,0]=3 34027 B13R2.2382 C1CCC(OC1)COCC2CO2 34a_100000211370_102125554688 [0,0,0,2,0,0|2,0,0]=4 34028 B13R2.2382 C1CCC(OC1)COCC2CO2 7a_100000211370_102125554688 [0,0,0,2,0,0|2,0,0]=4 34029 B13R2.2382 C1CCC(OC1)COCC2CS2 7a_100000211370_100000031435 [0,0,0,2,0,0|2,0,0]=4 34030 B13R2.2382 C1CCC(OC1)COC[C@@H]2CO2 34a_100000757423_100000211543 [0,0,0,2,0,0|2,0,0]=4 34031 B13R2.2382 C1CCC(OC1)COC[C@@H]2CO2 7a_100000211370_100000745022 [0,0,0,2,0,0|2,0,0]=4 34032 B13R2.2382 C1CCC(OC1)CSCC2CC2 62a_100000211543_100000742324 [0,0,0,2,0,0|1,0,0]=3 34033 B13R2.2382 C1CCC(OC1)CSCC2CC2 62a_100000756562_100000211543 [0,0,0,2,0,0|1,0,0]=3 34034 B13R2.2382 C1CCC(OC1)CSCC2CO2 62a_100000211543_102125554688 [0,0,0,2,0,0|2,0,0]=4 34035 B13R2.2382 C1CCC(OC1)CSCC2CO2 62a_102125554688_100000211543 [0,0,0,2,0,0|2,0,0]=4 34036 B13R2.2382 C1CCC(OC1)CSCC2CS2 62a_100000031435_100000211543 [0,0,0,2,0,0|2,0,0]=4 34037 B13R2.2382 C1CCC(OC1)CSCC2CS2 62a_100000211543_100000031435 [0,0,0,2,0,0|2,0,0]=4 34038 B13R2.2382 C1CCC(OC1)CSC[C@@H]2CO2 62a_100000211543_100000745022 [0,0,0,2,0,0|2,0,0]=4 34039 B13R2.2382 C1CCC(OC1)CSC[C@@H]2CO2 62a_100000745022_100000211543 [0,0,0,2,0,0|2,0,0]=4 34040 B13R2.2382 C1CCC(OC1)OCCC2CC2 34a_100000033831_100000694398 [0,0,0,2,0,0|1,0,0]=3 34041 B13R2.2382 C1CCC(OC1)OCCC2CO2 34a_100000033831_100000732470 [0,0,0,2,0,0|2,0,0]=4 34042 B13R2.2382 C1CNCC(C1)COCC2CO2 34a_100000211344_102125554688 [0,0,0,2,0,0|2,0,0]=4 34043 B13R2.2382 C1COC(OC1)CCNC2CC2 34a_100000212008_100000764188 [0,0,0,2,0,0|2,0,0]=4 34044 B13R2.2382 C1COC(OC1)CCSC2CC2 62a_100000764188_100000211595 [0,0,0,2,0,0|2,0,0]=4 34045 B13R2.2382 C1COCC(C1)CNCC2CO2 2230a_100000720124_100011216344 [0,0,0,2,0,0|2,0,0]=4 34046 B13R2.2382 C1COCC(C1)CNCC2CO2 34a_100000720124_102125554688 [0,0,0,2,0,0|2,0,0]=4 34047 B13R2.2382 C1COCC(C1)COCC2CO2 34a_100000741520_102125554688 [0,0,0,2,0,0|2,0,0]=4 34048 B13R2.2382 C1COCC(C1)COC[C@@H]2CO2 34a_100000757423_100000741521 [0,0,0,2,0,0|2,0,0]=4 34049 B13R2.2382 C1COCC(C1)CSCC2CO2 62a_100000741521_102125554688 [0,0,0,2,0,0|2,0,0]=4 34050 B13R2.2382 C1COCC(C1)CSCC2CO2 62a_102125554688_100000741521 [0,0,0,2,0,0|2,0,0]=4 34051 B13R2.2382 C1COCC(C1)CSC[C@@H]2CO2 62a_100000741521_100000745022 [0,0,0,2,0,0|2,0,0]=4 34052 B13R2.2382 C1COCC(C1)CSC[C@@H]2CO2 62a_100000745022_100000741521 [0,0,0,2,0,0|2,0,0]=4 34053 B13R2.2382 C1COCC(C1)NCCC2CO2 2230a_100000719290_100000732470 [0,0,0,2,0,0|2,0,0]=4 34054 B13R2.2382 C1COCC(C1)NCCC2CO2 34a_100000719290_100000732470 [0,0,0,2,0,0|2,0,0]=4 34055 B13R2.2382 C1COCC(C1)OCCC2CO2 34a_100000754041_100000732470 [0,0,0,2,0,0|2,0,0]=4 34056 B13R2.2382 C1COCC(C1)OCC[C@@H]2CO2 34a_100009820653_100000693364 [0,0,0,2,0,0|2,0,0]=4 34057 B13R2.2382 C1COCC(C1)SCCC2CO2 62a_100000732470_100000693364 [0,0,0,2,0,0|2,0,0]=4 34058 B13R2.2382 C1COCN(C1)CCCC2CO2 2230a_100000131196_100000733510 [0,0,0,2,0,0|2,0,0]=4 34059 B13R2.2382 C1COCN(C1)CCCC2CO2 269982a_100000131196_100000733510 [0,0,0,2,0,0|2,0,0]=4 34060 B13R2.2382 C1COCN(C1)CCCC2CO2 34a_100000131196_100000733510 [0,0,0,2,0,0|2,0,0]=4 34061 B13R2.2382 C1CO[C@@H](CN1)COCC2CC2 34a_100015189573_100000742324 [0,0,0,2,0,0|2,0,0]=4 34062 B13R2.2382 C1CO[C@H](CO1)CNCC2CC2 2230a_100010981119_100000742324 [0,0,0,2,0,0|2,0,0]=4 34063 B13R2.2382 C1CO[C@H](CO1)CNCC2CC2 269862a_100010981119_100000741477 [0,0,0,2,0,0|2,0,0]=4 34064 B13R2.2382 C1CO[C@H](CO1)CNCC2CC2 34a_100010981119_100000742324 [0,0,0,2,0,0|2,0,0]=4 34065 B13R2.2382 C1CO[C@H](CO1)COCC2CC2 34a_100009875890_100000742324 [0,0,0,2,0,0|2,0,0]=4 34066 B13R2.2382 C1CSCC(C1)OCCC2CO2 7a_100015962668_100000732470 [0,0,0,2,0,0|2,0,0]=4 34067 B13R2.2383 C1CC(C1)NC[C@H]2COCCO2 270004a_100010981119_100000241760 [0,0,0,2,0,0|2,0,0]=4 34068 B13R2.2383 C1CC(C1)NC[C@H]2COCCO2 34a_100010981119_100000749161 [0,0,0,2,0,0|2,0,0]=4 34069 B13R2.2383 C1CC(C1)OC[C@@H]2CNCCO2 34a_100015189573_100000749161 [0,0,0,2,0,0|2,0,0]=4 34070 B13R2.2383 C1CC(C1)OC[C@H]2COCCO2 34a_100009875890_100000749161 [0,0,0,2,0,0|2,0,0]=4 34071 B13R2.2383 C1CC(CCN1)NC[C@@H]2CCO2 270004a_100020831831_100015192401 [0,0,0,2,0,0|2,0,0]=4 34072 B13R2.2383 C1CC(CCO1)NCC2CCO2 2230a_100000741149_100000103362 [0,0,0,2,0,0|2,0,0]=4 34073 B13R2.2383 C1CC(CCO1)NCC2CCO2 34a_100000741149_100000103362 [0,0,0,2,0,0|2,0,0]=4 34074 B13R2.2383 C1CC(CCO1)NC[C@@H]2CCO2 270004a_100020831831_100011217826 [0,0,0,2,0,0|2,0,0]=4 34075 B13R2.2383 C1CC(CCO1)OCC2CCO2 34a_100000744328_100000103362 [0,0,0,2,0,0|2,0,0]=4 34076 B13R2.2383 C1CC(CCO1)SCC2CCO2 62a_100000103362_100011324220 [0,0,0,2,0,0|2,0,0]=4 34077 B13R2.2383 C1CC(O1)CNC2CCSCC2 2230a_100000748639_100000103362 [0,0,0,2,0,0|2,0,0]=4 34078 B13R2.2383 C1CC(O1)CNC2CCSCC2 34a_100000748639_100000103362 [0,0,0,2,0,0|2,0,0]=4 34079 B13R2.2383 C1CC(O1)COC2CCSCC2 34a_100000039022_100000069128 [0,0,0,2,0,0|2,0,0]=4 34080 B13R2.2383 C1CC(O1)COC2CCSCC2 34a_100000731022_100000103362 [0,0,0,2,0,0|2,0,0]=4 34081 B13R2.2383 C1CC(O1)COC2CCSCC2 7a_100000731022_100000103362 [0,0,0,2,0,0|2,0,0]=4 34082 B13R2.2383 C1CC(O1)CSC2CCSCC2 62a_100000103362_100000069128 [0,0,0,2,0,0|2,0,0]=4 34083 B13R2.2383 C1CCC(CC1)CCN2CCC2 269982a_100000754969_100011273959 [0,0,0,2,0,0|2,0,0]=4 34084 B13R2.2383 C1CCC(CC1)CNC2CCC2 2230a_100000749019_100000211423 [0,0,0,2,0,0|2,0,0]=4 34085 B13R2.2383 C1CCC(CC1)CNC2CCC2 269862a_100000749019_100000211278 [0,0,0,2,0,0|2,0,0]=4 34086 B13R2.2383 C1CCC(CC1)CNC2CCC2 270004a_100000210473_100000241760 [0,0,0,2,0,0|2,0,0]=4 34087 B13R2.2383 C1CCC(CC1)CNC2CCC2 34a_100000210473_100000749161 [0,0,0,2,0,0|2,0,0]=4 34088 B13R2.2383 C1CCC(CC1)CNC2CCC2 34a_100000749019_100000211423 [0,0,0,2,0,0|2,0,0]=4 34089 B13R2.2383 C1CCC(CC1)COC2CCC2 34a_100000212181_100000749161 [0,0,0,2,0,0|2,0,0]=4 34090 B13R2.2383 C1CCC(CC1)COC2CCC2 34a_100000748187_100000211423 [0,0,0,2,0,0|2,0,0]=4 34091 B13R2.2383 C1CCC(CC1)CSC2CCC2 62a_100000211423_100000749161 [0,0,0,2,0,0|2,0,0]=4 34092 B13R2.2383 C1CCC(CC1)NCC2CCC2 2230a_100000182618_100000763275 [0,0,0,2,0,0|2,0,0]=4 34093 B13R2.2383 C1CCC(CC1)NCC2CCC2 269862a_100000182618_100000753134 [0,0,0,2,0,0|2,0,0]=4 34094 B13R2.2383 C1CCC(CC1)NCC2CCC2 270004a_100000738700_100000210434 [0,0,0,2,0,0|2,0,0]=4 34095 B13R2.2383 C1CCC(CC1)NCC2CCC2 34a_100000182618_100000763275 [0,0,0,2,0,0|2,0,0]=4 34096 B13R2.2383 C1CCC(CC1)NCC2CCC2 34a_100000738700_100000210327 [0,0,0,2,0,0|2,0,0]=4 34097 B13R2.2383 C1CCC(CC1)NCC2CCO2 2230a_100000182618_100000103362 [0,0,0,2,0,0|1,0,0]=3 34098 B13R2.2383 C1CCC(CC1)NCC2CCO2 34a_100000182618_100000103362 [0,0,0,2,0,0|1,0,0]=3 34099 B13R2.2383 C1CCC(CC1)NC[C@@H]2CCO2 270004a_100020831831_100000210434 [0,0,0,2,0,0|1,0,0]=3 34100 B13R2.2383 C1CCC(CC1)NC[C@@H]2CCO2 34a_100020831831_100000210327 [0,0,0,2,0,0|1,0,0]=3 34101 B13R2.2383 C1CCC(CC1)OCC2CCC2 34a_100000210231_100000763275 [0,0,0,2,0,0|2,0,0]=4 34102 B13R2.2383 C1CCC(CC1)OCC2CCC2 34a_100000760304_100000210327 [0,0,0,2,0,0|2,0,0]=4 34103 B13R2.2383 C1CCC(CC1)OCC2CCC2 7a_100000210231_100000763275 [0,0,0,2,0,0|2,0,0]=4 34104 B13R2.2383 C1CCC(CC1)OCC2CCO2 34a_100000039022_100000210327 [0,0,0,2,0,0|1,0,0]=3 34105 B13R2.2383 C1CCC(CC1)OCC2CCO2 34a_100000210231_100000103362 [0,0,0,2,0,0|1,0,0]=3 34106 B13R2.2383 C1CCC(CC1)OCC2CCO2 7a_100000210231_100000103362 [0,0,0,2,0,0|1,0,0]=3 34107 B13R2.2383 C1CCC(CC1)SCC2CCC2 62a_100000210327_100000763275 [0,0,0,2,0,0|2,0,0]=4 34108 B13R2.2383 C1CCC(CC1)SCC2CCC2 62a_100000763275_100000210327 [0,0,0,2,0,0|2,0,0]=4 34109 B13R2.2383 C1CCC(CC1)SCC2CCO2 62a_100000103362_100000210327 [0,0,0,2,0,0|1,0,0]=3 34110 B13R2.2383 C1CCC(CC1)SCC2CCO2 62a_100000210327_100000103362 [0,0,0,2,0,0|1,0,0]=3 34111 B13R2.2383 C1CCC(NC1)COC2CCC2 34a_100000210821_100000749161 [0,0,0,2,0,0|2,0,0]=4 34112 B13R2.2383 C1CCC(OC1)CNC2CCC2 2230a_100000749019_100000211543 [0,0,0,2,0,0|1,0,0]=3 34113 B13R2.2383 C1CCC(OC1)CNC2CCC2 270004a_100000174945_100000241760 [0,0,0,2,0,0|1,0,0]=3 34114 B13R2.2383 C1CCC(OC1)CNC2CCC2 34a_100000174945_100000749161 [0,0,0,2,0,0|1,0,0]=3 34115 B13R2.2383 C1CCC(OC1)CNC2CCC2 34a_100000749019_100000211543 [0,0,0,2,0,0|1,0,0]=3 34116 B13R2.2383 C1CCC(OC1)CNC2COC2 2230a_100016991112_100000211543 [0,0,0,2,0,0|2,0,0]=4 34117 B13R2.2383 C1CCC(OC1)CNC2COC2 34a_100000174945_100009818527 [0,0,0,2,0,0|2,0,0]=4 34118 B13R2.2383 C1CCC(OC1)COC2CCC2 34a_100000211370_100000749161 [0,0,0,2,0,0|1,0,0]=3 34119 B13R2.2383 C1CCC(OC1)COC2CCC2 34a_100000748187_100000211543 [0,0,0,2,0,0|1,0,0]=3 34120 B13R2.2383 C1CCC(OC1)COC2COC2 34a_100000211370_100009818527 [0,0,0,2,0,0|2,0,0]=4 34121 B13R2.2383 C1CCC(OC1)COC2COC2 7a_100000211370_100009818527 [0,0,0,2,0,0|2,0,0]=4 34122 B13R2.2383 C1CCC(OC1)COC2CSC2 7a_100000072292_100000211543 [0,0,0,2,0,0|2,0,0]=4 34123 B13R2.2383 C1CCC(OC1)CSC2CCC2 62a_100000211543_100000749161 [0,0,0,2,0,0|1,0,0]=3 34124 B13R2.2383 C1CCC(OC1)CSC2COC2 62a_100000211543_100009818527 [0,0,0,2,0,0|2,0,0]=4 34125 B13R2.2383 C1CCC(OC1)OCC2CCC2 34a_100000033831_100000763275 [0,0,0,2,0,0|1,0,0]=3 34126 B13R2.2383 C1CCC(OC1)OCC2CCO2 34a_100000033831_100000103362 [0,0,0,2,0,0|2,0,0]=4 34127 B13R2.2383 C1CCC(OC1)OCC2COC2 34a_100000033831_100010264016 [0,0,0,2,0,0|2,0,0]=4 34128 B13R2.2383 C1COC(OC1)CCN2CCC2 269982a_100000754969_100000764188 [0,0,0,2,0,0|2,0,0]=4 34129 B13R2.2383 C1COCC(C1)NCC2CCO2 2230a_100000719290_100000103362 [0,0,0,2,0,0|2,0,0]=4 34130 B13R2.2383 C1COCC(C1)NCC2CCO2 34a_100000719290_100000103362 [0,0,0,2,0,0|2,0,0]=4 34131 B13R2.2383 C1COCC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000753404 [0,0,0,2,0,0|2,0,0]=4 34132 B13R2.2383 C1COCC(C1)NC[C@@H]2CCO2 34a_100020831831_100000693364 [0,0,0,2,0,0|2,0,0]=4 34133 B13R2.2383 C1COCC(C1)OCC2CCO2 34a_100000039022_100000693364 [0,0,0,2,0,0|2,0,0]=4 34134 B13R2.2383 C1COCC(C1)OCC2CCO2 34a_100000754041_100000103362 [0,0,0,2,0,0|2,0,0]=4 34135 B13R2.2383 C1COCC(C1)SCC2CCO2 62a_100000103362_100000693364 [0,0,0,2,0,0|2,0,0]=4 34136 B13R2.2383 C1CSCC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000057913 [0,0,0,2,0,0|2,0,0]=4 34137 B13R2.2383 C1CSCC(C1)OCC2CCO2 7a_100015962668_100000103362 [0,0,0,2,0,0|2,0,0]=4 34138 B13R2.2383 C1C[C@H](O1)CNC2CCSCC2 270004a_100020831831_100000203788 [0,0,0,2,0,0|2,0,0]=4 34139 B13R2.2383 C1C[C@H](O1)CNC2CCSCC2 34a_100020831831_100000069128 [0,0,0,2,0,0|2,0,0]=4 34140 B13R2.2388 BrCCCOC1C2CCC1CC2 34a_100011217188_100009813300 [0,0,0,2,0,0|2,0,0]=4 34141 B13R2.2388 CCCCCN1C2CCC1CC2 2230a_100000735658_100000210326 [0,0,0,2,0,0|2,0,0]=4 34142 B13R2.2388 CCCCCN1C2CCC1CC2 269982a_100000735658_100000210215 [0,0,0,2,0,0|2,0,0]=4 34143 B13R2.2388 CCCCCN1C2CCC1CC2 34a_100000735658_100000718602 [0,0,0,2,0,0|2,0,0]=4 34144 B13R2.2388 CCCCOC1C2CCC1CC2 34a_100000210227_100009813300 [0,0,0,2,0,0|2,0,0]=4 34145 B13R2.2388 CCCCSC1C2CCC1CC2 62a_100000210211_100009813300 [0,0,0,2,0,0|2,0,0]=4 34146 B13R2.2388 CCCCSC1C2CCC1CC2 62a_100009813300_100000210210 [0,0,0,2,0,0|2,0,0]=4 34147 B13R2.2388 ClCCCOC1C2CCC1CC2 34a_100000230001_100009813300 [0,0,0,2,0,0|2,0,0]=4 34148 B13R2.2388 FCCCCN1C2CCC1CC2 2230a_100000735658_100000729493 [0,0,0,2,0,0|2,0,0]=4 34149 B13R2.2388 FCCCCN1C2CCC1CC2 269982a_100000735658_100000729493 [0,0,0,2,0,0|2,0,0]=4 34150 B13R2.2388 FCCCCN1C2CCC1CC2 34a_100000735658_100000729493 [0,0,0,2,0,0|2,0,0]=4 34151 B13R2.2388 FCCCNC1C2CCC1CC2 34a_100015189416_100009813300 [0,0,0,2,0,0|2,0,0]=4 34152 B13R2.2388 FCCCOC1C2CCC1CC2 34a_100000759539_100009813300 [0,0,0,2,0,0|2,0,0]=4 34153 B13R2.2388 FCCCSC1C2CCC1CC2 62a_100009813300_100011934791 [0,0,0,2,0,0|2,0,0]=4 34154 B13R2.2388 FCCCSC1C2CCC1CC2 62a_100011934791_100009813300 [0,0,0,2,0,0|2,0,0]=4 34155 B13R2.2388 NCCCOC1C2CCC1CC2 34a_100000182051_100009813300 [0,0,0,2,0,0|2,0,0]=4 34156 B13R2.2388 OCCCCN1C2CCC1CC2 2230a_100000735658_100000210776 [0,0,0,2,0,0|1,0,0]=3 34157 B13R2.2388 OCCCCN1C2CCC1CC2 269982a_100000735658_100000210776 [0,0,0,2,0,0|1,0,0]=3 34158 B13R2.2388 OCCCCN1C2CCC1CC2 34a_100000735658_100011216708 [0,0,0,2,0,0|1,0,0]=3 34159 B13R2.2388 OCCCSC1C2CCC1CC2 62a_100009813300_100011215043 [0,0,0,2,0,0|1,0,0]=3 34160 B13R2.2388 OCCCSC1C2CCC1CC2 62a_100011215043_100009813300 [0,0,0,2,0,0|1,0,0]=3 34161 B13R2.3194 CCCCCNC1CCC2C1C2 269862a_100000209983_100000692480 [0,0,0,2,0,0|2,0,0]=4 34162 B13R2.3194 CCCCCNC1CCC2C1C2 270004a_100000209983_100000692480 [0,0,0,2,0,0|2,0,0]=4 34163 B13R2.3194 CCCCCOC1CCC2C1C2 34a_200012295571_100000718602 [0,0,0,2,0,0|2,0,0]=4 34164 B13R2.3194 FCCCCOC1CCC2C1C2 34a_200012295571_100000729493 [0,0,0,2,0,0|2,0,0]=4 34165 B13R2.3194 OCCCCNC1CCC2C1C2 269862a_100000750430_100000692480 [0,0,0,2,0,0|1,0,0]=3 34166 B13R2.3194 OCCCCNC1CCC2C1C2 270004a_100000750430_100000692480 [0,0,0,2,0,0|1,0,0]=3 34167 B13R2.3194 OCCCCOC1CCC2C1C2 34a_200012295571_100011216708 [0,0,0,2,0,0|1,0,0]=3 34168 B13R2.18 CC1CCCCC1N2CCCC2 270004a_100000188435_100000210921 [0,0,0,2,0,0|2,0,0]=4 34169 B13R2.18 CC1CCCCN1C2CCCC2 2230a_100000211376_100000179811 [0,0,0,2,0,0|2,0,0]=4 34170 B13R2.18 CC1CCCCN1C2CCCC2 269982a_100000211376_100000179811 [0,0,0,2,0,0|2,0,0]=4 34171 B13R2.18 CC1CCCCN1C2CCCC2 270004a_100000211376_100000210133 [0,0,0,2,0,0|2,0,0]=4 34172 B13R2.18 CC1CCCCN1C2CCCC2 34a_100000211376_100000179811 [0,0,0,2,0,0|2,0,0]=4 34173 B13R2.18 FC1CCCCC1N2CCCC2 269982a_100000188435_100015423560 [0,0,0,2,0,0|2,0,0]=4 34174 B13R2.18 OC1CCCCC1N2CCCC2 269982a_100000188435_100000038908 [0,0,0,2,0,0|1,0,0]=3 34175 B13R2.18 OC1CCCCC1N2CCSC2 269982a_100011215254_100000038908 [0,0,0,2,0,0|2,0,0]=4 34176 B13R2.29 CC1CCCC1NC2CCCC2 269862a_100000211070_100000752053 [0,0,0,2,0,0|2,0,0]=4 34177 B13R2.29 CC1CCCC1OC2CCCC2 34a_100011216460_100000179811 [0,0,0,2,0,0|2,0,0]=4 34178 B13R2.29 CC1CCCC1OC2CCCC2 7a_100011216460_100000179811 [0,0,0,2,0,0|2,0,0]=4 34179 B13R2.29 CC1SCCN1CC2CCCO2 2230a_200011216479_100000203698 [0,0,0,2,0,0|2,0,0]=4 34180 B13R2.29 CC1SCCN1CC2CCCO2 269982a_200011216479_100000183445 [0,0,0,2,0,0|2,0,0]=4 34181 B13R2.29 C[C@@H]1CCCN1CC2CCCC2 2230a_100015189458_100000740388 [0,0,0,2,0,0|2,0,0]=4 34182 B13R2.29 C[C@@H]1CCCN1CC2CCCC2 269982a_100015189458_100000740388 [0,0,0,2,0,0|2,0,0]=4 34183 B13R2.29 C[C@@H]1CCCN1CC2CCCC2 34a_100015189458_100000740388 [0,0,0,2,0,0|2,0,0]=4 34184 B13R2.29 C[C@@H]1CCCN1CC2CCCO2 2230a_100015189458_100000203698 [0,0,0,2,0,0|1,0,0]=3 34185 B13R2.29 C[C@@H]1CCCN1CC2CCCO2 269982a_100015189458_100000183445 [0,0,0,2,0,0|1,0,0]=3 34186 B13R2.29 C[C@@H]1CCCN1CC2OCCO2 2230a_100015189458_100000755774 [0,0,0,2,0,0|2,0,0]=4 34187 B13R2.29 C[C@@H]1CCCN1CC2OCCO2 269982a_100015189458_100000755774 [0,0,0,2,0,0|2,0,0]=4 34188 B13R2.29 C[C@@H]1CCCN1CC2OCCO2 34a_100015189458_100000755774 [0,0,0,2,0,0|2,0,0]=4 34189 B13R2.29 C[C@H]1CCCN1CC2CCCC2 2230a_100020605311_100000740388 [0,0,0,2,0,0|2,0,0]=4 34190 B13R2.29 C[C@H]1CCCN1CC2CCCC2 269982a_100020605311_100000740388 [0,0,0,2,0,0|2,0,0]=4 34191 B13R2.29 C[C@H]1CCCN1CC2CCCO2 2230a_100020605311_100000203698 [0,0,0,2,0,0|1,0,0]=3 34192 B13R2.29 C[C@H]1CCCN1CC2CCCO2 269982a_100020605311_100000183445 [0,0,0,2,0,0|1,0,0]=3 34193 B13R2.29 C[C@H]1CCCN1CC2OCCO2 2230a_100020605311_100000755774 [0,0,0,2,0,0|2,0,0]=4 34194 B13R2.29 C[C@H]1CCCN1CC2OCCO2 269982a_100020605311_100000755774 [0,0,0,2,0,0|2,0,0]=4 34195 B13R2.29 Cl[C@@H]1CCC[C@H]1OC2CCCC2 34a_200016002552_100000179811 [0,0,0,2,0,0|2,0,0]=4 34196 B13R2.29 N[C@H]1CCC[C@@H]1OC2CCCC2 34a_100000748460_100000179811 [0,0,0,2,0,0|2,0,0]=4 34197 B13R2.29 OC1COCC1NC2CCCC2 34a_100000211070_200000725654 [0,0,0,2,0,0|2,0,0]=4 34198 B13R2.29 OC1COCC1OC2CCCC2 34a_100000210269_200000725654 [0,0,0,2,0,0|2,0,0]=4 34199 B13R2.29 OC1COCC1OC2CCCC2 7a_100000210269_200000725654 [0,0,0,2,0,0|2,0,0]=4 34200 B13R2.29 OC1COCC1SC2CCCC2 62a_100011217020_200000725654 [0,0,0,2,0,0|2,0,0]=4 34201 B13R2.29 OC1COCC1SC2CCCC2 62a_200000725654_100000179811 [0,0,0,2,0,0|2,0,0]=4 34202 B13R2.29 O[C@@H]1CCC[C@H]1SC2CCCC2 62a_100011217020_200016002552 [0,0,0,2,0,0|1,0,0]=3 34203 B13R2.29 O[C@@H]1CCC[C@H]1SC2CCCC2 62a_200016002552_100000179811 [0,0,0,2,0,0|1,0,0]=3 34204 B13R2.29 O[C@@H]1CCC[C@H]1SC2CCOC2 62a_200016002552_100000690089 [0,0,0,2,0,0|2,0,0]=4 34205 B13R2.29 O[C@H]1CCC[C@@H]1NC2CCCC2 270004a_100000748460_100000210133 [0,0,0,2,0,0|1,0,0]=3 34206 B13R2.29 O[C@H]1CCC[C@@H]1NC2CCOC2 270004a_100000748460_100000752484 [0,0,0,2,0,0|2,0,0]=4 34207 B13R2.29 O[C@H]1CCC[C@@H]1NC2CCSC2 270004a_100000748460_100000212027 [0,0,0,2,0,0|2,0,0]=4 34208 B13R2.29 O[C@H]1COC[C@@H]1NC2CCCC2 2230a_100015191717_100000179811 [0,0,0,2,0,0|2,0,0]=4 34209 B13R2.29 O[C@H]1COC[C@@H]1NC2CCCC2 270004a_100015191717_100000210133 [0,0,0,2,0,0|2,0,0]=4 34210 B13R2.61 CCC1CCCC1N2CCCC2 270004a_100000188435_100000749056 [0,0,0,2,0,0|2,0,0]=4 34211 B13R2.61 CCC1CCCN1C2CCCC2 2230a_100000754278_100000179811 [0,0,0,2,0,0|2,0,0]=4 34212 B13R2.61 CCC1CCCN1C2CCCC2 269982a_100000754278_100000179811 [0,0,0,2,0,0|2,0,0]=4 34213 B13R2.61 CCC1CCCN1C2CCCC2 270004a_100000754278_100000210133 [0,0,0,2,0,0|2,0,0]=4 34214 B13R2.61 CCC1CCCN1C2CCCC2 34a_100000754278_100000179811 [0,0,0,2,0,0|2,0,0]=4 34215 B13R2.61 CCN1CCCC1C2CCCC2 2230a_100000743374_100000210202 [0,0,0,2,0,0|2,0,0]=4 34216 B13R2.61 CCN1CCCC1C2CCCC2 269982a_100000743374_100000204670 [0,0,0,2,0,0|2,0,0]=4 34217 B13R2.61 CCN1CCCC1C2CCCC2 34a_100000743374_100000210202 [0,0,0,2,0,0|2,0,0]=4 34218 B13R2.61 CNC1CCCC1C2CCCC2 269862a_106832991636_100011216175 [0,0,0,2,0,0|2,0,0]=4 34219 B13R2.61 CNC1CCCC1C2CCCC2 270004a_106832991635_100011216175 [0,0,0,2,0,0|2,0,0]=4 34220 B13R2.61 FCN1CCCC1C2CCCC2 269982a_100000743374_100015361967 [0,0,0,2,0,0|2,0,0]=4 34221 B13R2.61 FCN1CCCC1C2CCCC2 34a_100000743374_100015361967 [0,0,0,2,0,0|2,0,0]=4 34222 B13R2.61 OC[C@H]1CCCN1C2CCCC2 2230a_100000745186_100000179811 [0,0,0,2,0,0|1,0,0]=3 34223 B13R2.61 OC[C@H]1CCCN1C2CCCC2 269982a_100000745186_100000179811 [0,0,0,2,0,0|1,0,0]=3 34224 B13R2.61 OC[C@H]1CCCN1C2CCCC2 270004a_100000745186_100000210133 [0,0,0,2,0,0|1,0,0]=3 34225 B13R2.61 OC[C@H]1CCCN1C2CCCC2 34a_100000745186_100000179811 [0,0,0,2,0,0|1,0,0]=3 34226 B13R2.61 OC[C@H]1CCCN1C2CCOC2 2230a_100000745186_100000731011 [0,0,0,2,0,0|2,0,0]=4 34227 B13R2.61 OC[C@H]1CCCN1C2CCOC2 269982a_100000745186_100000731011 [0,0,0,2,0,0|2,0,0]=4 34228 B13R2.61 OC[C@H]1CCCN1C2CCOC2 270004a_100000745186_100000752484 [0,0,0,2,0,0|2,0,0]=4 34229 B13R2.61 OC[C@H]1CCCN1C2CCOC2 34a_100000745186_100000690089 [0,0,0,2,0,0|2,0,0]=4 34230 B13R2.61 OC[C@H]1CCCN1C2CCSC2 270004a_100000745186_100000212027 [0,0,0,2,0,0|2,0,0]=4 34231 B13R2.158 CC1CCN1CCC2CCCC2 269982a_100000755817_100000760354 [0,0,0,2,0,0|2,0,0]=4 34232 B13R2.158 CC1CCN1CCC2CCCC2 34a_100000755817_100000760354 [0,0,0,2,0,0|2,0,0]=4 34233 B13R2.158 CC1CCN1CCC2OCCO2 269982a_100000755817_100000740749 [0,0,0,2,0,0|2,0,0]=4 34234 B13R2.158 CC1CCN1CCC2OCCO2 34a_100000755817_100000740749 [0,0,0,2,0,0|2,0,0]=4 34235 B13R2.183 C1CCC(C1)CCN2CCCC2 2230a_100000188435_100000760354 [0,0,0,2,0,0|2,0,0]=4 34236 B13R2.183 C1CCC(C1)CCN2CCCC2 269982a_100000188435_100000760354 [0,0,0,2,0,0|2,0,0]=4 34237 B13R2.183 C1CCC(C1)CNC2CCCC2 2230a_100000211070_100000740388 [0,0,0,2,0,0|2,0,0]=4 34238 B13R2.183 C1CCC(C1)CNC2CCCC2 2230a_100000737975_100000179811 [0,0,0,2,0,0|2,0,0]=4 34239 B13R2.183 C1CCC(C1)CNC2CCCC2 269862a_100000211070_100000746403 [0,0,0,2,0,0|2,0,0]=4 34240 B13R2.183 C1CCC(C1)CNC2CCCC2 270004a_100000737975_100000210133 [0,0,0,2,0,0|2,0,0]=4 34241 B13R2.183 C1CCC(C1)CNC2CCCC2 34a_100000211070_100000740388 [0,0,0,2,0,0|2,0,0]=4 34242 B13R2.183 C1CCC(C1)CNC2CCCC2 34a_100000737975_100000179811 [0,0,0,2,0,0|2,0,0]=4 34243 B13R2.183 C1CCC(C1)COC2CCCC2 34a_100000210269_100000740388 [0,0,0,2,0,0|2,0,0]=4 34244 B13R2.183 C1CCC(C1)COC2CCCC2 34a_100000742336_100000179811 [0,0,0,2,0,0|2,0,0]=4 34245 B13R2.183 C1CCC(C1)COC2CCCC2 7a_100000210269_100000740388 [0,0,0,2,0,0|2,0,0]=4 34246 B13R2.183 C1CCC(C1)COC2CCCC2 7a_100000742336_100000179811 [0,0,0,2,0,0|2,0,0]=4 34247 B13R2.183 C1CCC(C1)COC2CCCO2 34a_100000085407_100000740388 [0,0,0,2,0,0|1,0,0]=3 34248 B13R2.183 C1CCC(C1)CSC2CCCC2 62a_100000740388_100000179811 [0,0,0,2,0,0|2,0,0]=4 34249 B13R2.183 C1CCC(C1)CSC2CCCC2 62a_100011217020_100000740388 [0,0,0,2,0,0|2,0,0]=4 34250 B13R2.183 C1CCC(C1)NCC2CCCO2 2230a_100000211070_100000203698 [0,0,0,2,0,0|1,0,0]=3 34251 B13R2.183 C1CCC(C1)NCC2OCCO2 2230a_100000036311_100000179811 [0,0,0,2,0,0|2,0,0]=4 34252 B13R2.183 C1CCC(C1)NCC2OCCO2 2230a_100000211070_100000755774 [0,0,0,2,0,0|2,0,0]=4 34253 B13R2.183 C1CCC(C1)NCC2OCCO2 270004a_100000036311_100000210133 [0,0,0,2,0,0|2,0,0]=4 34254 B13R2.183 C1CCC(C1)NCC2OCCO2 34a_100000036311_100000179811 [0,0,0,2,0,0|2,0,0]=4 34255 B13R2.183 C1CCC(C1)NCC2OCCO2 34a_100000211070_100000755774 [0,0,0,2,0,0|2,0,0]=4 34256 B13R2.183 C1CCC(C1)NC[C@@H]2CCCO2 2230a_100020590478_100000179811 [0,0,0,2,0,0|1,0,0]=3 34257 B13R2.183 C1CCC(C1)NC[C@@H]2CCCO2 270004a_100020590478_100000210133 [0,0,0,2,0,0|1,0,0]=3 34258 B13R2.183 C1CCC(C1)NC[C@@H]2CCCO2 34a_100020590478_100000179811 [0,0,0,2,0,0|1,0,0]=3 34259 B13R2.183 C1CCC(C1)OCC2CCCO2 34a_100000210270_100000179811 [0,0,0,2,0,0|1,0,0]=3 34260 B13R2.183 C1CCC(C1)OCC2CCCO2 7a_100000210269_100000203698 [0,0,0,2,0,0|1,0,0]=3 34261 B13R2.183 C1CCC(C1)OCC2CCCO2 7a_100000210270_100000179811 [0,0,0,2,0,0|1,0,0]=3 34262 B13R2.183 C1CCC(C1)OCC2COCO2 34a_100011216627_100000179811 [0,0,0,2,0,0|2,0,0]=4 34263 B13R2.183 C1CCC(C1)OCC2OCCO2 34a_100000087154_100000179811 [0,0,0,2,0,0|2,0,0]=4 34264 B13R2.183 C1CCC(C1)OCC2OCCO2 34a_100000210269_100000755774 [0,0,0,2,0,0|2,0,0]=4 34265 B13R2.183 C1CCC(C1)OCC2OCCO2 7a_100000210269_100000755774 [0,0,0,2,0,0|2,0,0]=4 34266 B13R2.183 C1CCC(C1)OC[C@H]2CCCN2 34a_100000745186_100000179811 [0,0,0,2,0,0|2,0,0]=4 34267 B13R2.183 C1CCC(C1)SCC2OCCO2 62a_100000755774_100000179811 [0,0,0,2,0,0|2,0,0]=4 34268 B13R2.183 C1CCC(C1)SCC2OCCO2 62a_100011217020_100000755774 [0,0,0,2,0,0|2,0,0]=4 34269 B13R2.183 C1CCN(C1)CCC2OCCO2 2230a_100000188435_100000740749 [0,0,0,2,0,0|2,0,0]=4 34270 B13R2.183 C1CCN(C1)CCC2OCCO2 269982a_100000188435_100000740749 [0,0,0,2,0,0|2,0,0]=4 34271 B13R2.183 C1COC(C1)CN[C@@H]2CCOC2 2230a_200015188469_100000203698 [0,0,0,2,0,0|2,0,0]=4 34272 B13R2.183 C1COC(C1)CN[C@H]2CCOC2 2230a_100015188467_100000203698 [0,0,0,2,0,0|2,0,0]=4 34273 B13R2.183 C1COC(C1)COC2CCOC2 34a_100000210270_100000690089 [0,0,0,2,0,0|2,0,0]=4 34274 B13R2.183 C1COC(C1)COC2CCOC2 7a_100000210270_100000731011 [0,0,0,2,0,0|2,0,0]=4 34275 B13R2.183 C1COC(C1)COC2CCSC2 7a_100011232664_100000203698 [0,0,0,2,0,0|2,0,0]=4 34276 B13R2.183 C1COC(C1)CSC2CCCC2 62a_100000203698_100000179811 [0,0,0,2,0,0|1,0,0]=3 34277 B13R2.183 C1COC(C1)CSC2CCCC2 62a_100011217020_100000203698 [0,0,0,2,0,0|1,0,0]=3 34278 B13R2.183 C1COC(C1)CSC2CCOC2 62a_100000203698_100000690089 [0,0,0,2,0,0|2,0,0]=4 34279 B13R2.183 C1COC(C1)OCC2CCOC2 34a_100000085407_100011261433 [0,0,0,2,0,0|2,0,0]=4 34280 B13R2.183 C1CO[C@@H](C1)CNC2CCOC2 2230a_100020590478_100000731011 [0,0,0,2,0,0|2,0,0]=4 34281 B13R2.183 C1CO[C@@H](C1)CNC2CCOC2 270004a_100020590478_100000752484 [0,0,0,2,0,0|2,0,0]=4 34282 B13R2.183 C1CO[C@@H](C1)CNC2CCOC2 34a_100020590478_100000690089 [0,0,0,2,0,0|2,0,0]=4 34283 B13R2.183 C1CO[C@@H](C1)CNC2CCSC2 270004a_100020590478_100000212027 [0,0,0,2,0,0|2,0,0]=4 34284 B13R2.196 CC1CC1COCC2CCCC2 34a_100000744939_100000740388 [0,0,0,2,0,0|2,0,0]=4 34285 B13R2.196 CC1CC1COCC2CCCC2 7a_100000744939_100000740388 [0,0,0,2,0,0|2,0,0]=4 34286 B13R2.196 CC1CC1COCC2CCCO2 7a_100000744939_100000203698 [0,0,0,2,0,0|1,0,0]=3 34287 B13R2.196 CC1CC1COCC2OCCO2 34a_100000744939_100000755774 [0,0,0,2,0,0|2,0,0]=4 34288 B13R2.196 CC1CC1COCC2OCCO2 7a_100000744939_100000755774 [0,0,0,2,0,0|2,0,0]=4 34289 B13R2.196 F[C@@H]1C[C@H]1NCCC2CCCC2 2230a_100025746932_100000760354 [0,0,0,2,0,0|2,0,0]=4 34290 B13R2.196 F[C@@H]1C[C@H]1NCCC2CCCC2 34a_100025746932_100000760354 [0,0,0,2,0,0|2,0,0]=4 34291 B13R2.196 F[C@H]1C[C@H]1NCCC2CCCC2 2230a_100015190264_100000760354 [0,0,0,2,0,0|2,0,0]=4 34292 B13R2.468 CCCO[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_100000210303 [0,0,0,2,0,0|2,0,0]=4 34293 B13R2.468 CCCO[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_100000210303 [0,0,0,2,0,0|2,0,0]=4 34294 B13R2.677 C1CCCC(CC1)N2CCCC2 269982a_100000188435_100011217769 [0,0,0,2,0,0|2,0,0]=4 34295 B13R2.677 C1CCCC(CC1)N2CCCC2 270004a_100000188435_100000210131 [0,0,0,2,0,0|2,0,0]=4 34296 B13R2.677 C1CCCN(CC1)C2CCCC2 2230a_100000185865_100000179811 [0,0,0,2,0,0|2,0,0]=4 34297 B13R2.677 C1CCCN(CC1)C2CCCC2 269982a_100000185865_100000179811 [0,0,0,2,0,0|2,0,0]=4 34298 B13R2.677 C1CCCN(CC1)C2CCCC2 270004a_100000185865_100000210133 [0,0,0,2,0,0|2,0,0]=4 34299 B13R2.677 C1CCCN(CC1)C2CCCC2 34a_100000185865_100000179811 [0,0,0,2,0,0|2,0,0]=4 34300 B13R2.2380 C(CC1CC1)NCC2OCCO2 2230a_100000036311_100000694398 [0,0,0,2,0,0|2,0,0]=4 34301 B13R2.2380 C(CC1CC1)NCC2OCCO2 34a_100000036311_100000694398 [0,0,0,2,0,0|2,0,0]=4 34302 B13R2.2380 C(CC1CC1)NCC2OCCO2 34a_100000764129_100000755774 [0,0,0,2,0,0|2,0,0]=4 34303 B13R2.2380 C(CC1CC1)OCC2COCO2 34a_100011216627_100000694398 [0,0,0,2,0,0|2,0,0]=4 34304 B13R2.2380 C(CC1CC1)OCC2OCCO2 34a_100000087154_100000694398 [0,0,0,2,0,0|2,0,0]=4 34305 B13R2.2380 C(CC1CC1)OCC2OCCO2 34a_100000754188_100000755774 [0,0,0,2,0,0|2,0,0]=4 34306 B13R2.2380 C(CC1CC1)OCC2OCCO2 7a_100000754188_100000755774 [0,0,0,2,0,0|2,0,0]=4 34307 B13R2.2380 C(CC1CO1)NCC2CCOC2 2230a_100000737293_100000732470 [0,0,0,2,0,0|2,0,0]=4 34308 B13R2.2380 C(CC1CO1)NCC2CCOC2 34a_100000737293_100000732470 [0,0,0,2,0,0|2,0,0]=4 34309 B13R2.2380 C(CC1OCCO1)NCC2CC2 2230a_100000034215_100000742324 [0,0,0,2,0,0|2,0,0]=4 34310 B13R2.2380 C(CC1OCCO1)NCC2CC2 2230a_100000735609_100000740749 [0,0,0,2,0,0|2,0,0]=4 34311 B13R2.2380 C(CC1OCCO1)NCC2CC2 34a_100000034215_100000742324 [0,0,0,2,0,0|2,0,0]=4 34312 B13R2.2380 C(CC1OCCO1)NCC2CC2 34a_100000735609_100000740749 [0,0,0,2,0,0|2,0,0]=4 34313 B13R2.2380 C(CC1OCCO1)OCC2CC2 34a_100000211283_100000740749 [0,0,0,2,0,0|2,0,0]=4 34314 B13R2.2380 C(CNC1CC1)CC2OCCO2 34a_100000212008_100009861162 [0,0,0,2,0,0|2,0,0]=4 34315 B13R2.2380 C(CN[C@@H]1CCOC1)CC2CO2 2230a_200015188469_100000733510 [0,0,0,2,0,0|2,0,0]=4 34316 B13R2.2380 C(CN[C@H]1CCOC1)CC2CO2 2230a_100015188467_100000733510 [0,0,0,2,0,0|2,0,0]=4 34317 B13R2.2380 C(CN[C@H]1CCOC1)CC2CO2 34a_100015188467_100000733510 [0,0,0,2,0,0|2,0,0]=4 34318 B13R2.2380 C(COC1CC1)CC2OCCO2 34a_100009871617_100000211595 [0,0,0,2,0,0|2,0,0]=4 34319 B13R2.2380 C(COC1CCCO1)CC2CO2 34a_100000085407_100000733510 [0,0,0,2,0,0|2,0,0]=4 34320 B13R2.2380 C(COC1CCSC1)CC2CO2 7a_100011232664_100000733510 [0,0,0,2,0,0|2,0,0]=4 34321 B13R2.2380 C(CO[C@H]1CCOC1)CC2CO2 34a_100000717292_100000733510 [0,0,0,2,0,0|2,0,0]=4 34322 B13R2.2380 C(CSC1CCCC1)CC2CO2 62a_100000733510_100000179811 [0,0,0,2,0,0|1,0,0]=3 34323 B13R2.2380 C(CSC1CCCC1)CC2CO2 62a_100011217020_100000733510 [0,0,0,2,0,0|1,0,0]=3 34324 B13R2.2380 C(CSC1CCOC1)CC2CO2 62a_100000733510_100000690089 [0,0,0,2,0,0|2,0,0]=4 34325 B13R2.2380 C1CC(CN1)CCOCC2CO2 34a_100016987287_102125554688 [0,0,0,2,0,0|2,0,0]=4 34326 B13R2.2380 C1CC(CN1)COCCC2CO2 34a_100000748654_100000732470 [0,0,0,2,0,0|2,0,0]=4 34327 B13R2.2380 C1CC(CO1)CCOCC2CO2 34a_100011879284_102125554688 [0,0,0,2,0,0|2,0,0]=4 34328 B13R2.2380 C1CC(CO1)COCCC2CO2 34a_100000740260_100000732470 [0,0,0,2,0,0|2,0,0]=4 34329 B13R2.2380 C1CC(CO1)COCC[C@@H]2CO2 34a_100009820653_100011261433 [0,0,0,2,0,0|2,0,0]=4 34330 B13R2.2380 C1CC(CO1)CSCCC2CO2 62a_100000702531_100000732470 [0,0,0,2,0,0|2,0,0]=4 34331 B13R2.2380 C1CC(CO1)CSCCC2CO2 62a_100000732470_100000702531 [0,0,0,2,0,0|2,0,0]=4 34332 B13R2.2380 C1CCC(C1)CCCNC2CC2 34a_100000212008_100011713738 [0,0,0,2,0,0|2,0,0]=4 34333 B13R2.2380 C1CCC(C1)CCCNC2CC2 34a_100000736752_100000211595 [0,0,0,2,0,0|2,0,0]=4 34334 B13R2.2380 C1CCC(C1)CCCOC2CC2 34a_100011215328_100000211595 [0,0,0,2,0,0|2,0,0]=4 34335 B13R2.2380 C1CCC(C1)CCCSC2CC2 62a_100011713738_100000211595 [0,0,0,2,0,0|2,0,0]=4 34336 B13R2.2380 C1CCC(C1)CCNCC2CC2 2230a_100000735609_100000760354 [0,0,0,2,0,0|2,0,0]=4 34337 B13R2.2380 C1CCC(C1)CCNCC2CC2 2230a_100000739158_100000742324 [0,0,0,2,0,0|2,0,0]=4 34338 B13R2.2380 C1CCC(C1)CCNCC2CC2 269862a_100000739158_100000741477 [0,0,0,2,0,0|2,0,0]=4 34339 B13R2.2380 C1CCC(C1)CCNCC2CC2 34a_100000735609_100000760354 [0,0,0,2,0,0|2,0,0]=4 34340 B13R2.2380 C1CCC(C1)CCNCC2CC2 34a_100000739158_100000742324 [0,0,0,2,0,0|2,0,0]=4 34341 B13R2.2380 C1CCC(C1)CCNCC2CO2 2230a_100000739158_100011216344 [0,0,0,2,0,0|1,0,0]=3 34342 B13R2.2380 C1CCC(C1)CCNCC2CO2 34a_100000739158_102125554688 [0,0,0,2,0,0|1,0,0]=3 34343 B13R2.2380 C1CCC(C1)CCOCC2CC2 34a_100000211283_100000760354 [0,0,0,2,0,0|2,0,0]=4 34344 B13R2.2380 C1CCC(C1)CCOCC2CC2 34a_100000749090_100000742324 [0,0,0,2,0,0|2,0,0]=4 34345 B13R2.2380 C1CCC(C1)CCOCC2CC2 7a_100000749090_100000742324 [0,0,0,2,0,0|2,0,0]=4 34346 B13R2.2380 C1CCC(C1)CCOCC2CO2 34a_100000749090_102125554688 [0,0,0,2,0,0|1,0,0]=3 34347 B13R2.2380 C1CCC(C1)CCOCC2CO2 7a_100000749090_102125554688 [0,0,0,2,0,0|1,0,0]=3 34348 B13R2.2380 C1CCC(C1)CCOCC2CS2 7a_100000749090_100000031435 [0,0,0,2,0,0|1,1,0]=4 34349 B13R2.2380 C1CCC(C1)CCOC[C@@H]2CO2 34a_100000757423_100000760354 [0,0,0,2,0,0|1,0,0]=3 34350 B13R2.2380 C1CCC(C1)CCOC[C@@H]2CO2 7a_100000749090_100000745022 [0,0,0,2,0,0|1,0,0]=3 34351 B13R2.2380 C1CCC(C1)CCSCC2CC2 62a_100000756562_100000760354 [0,0,0,2,0,0|2,0,0]=4 34352 B13R2.2380 C1CCC(C1)CCSCC2CC2 62a_100000760354_100000742324 [0,0,0,2,0,0|2,0,0]=4 34353 B13R2.2380 C1CCC(C1)CCSCC2CO2 62a_100000760354_102125554688 [0,0,0,2,0,0|1,0,0]=3 34354 B13R2.2380 C1CCC(C1)CCSCC2CO2 62a_102125554688_100000760354 [0,0,0,2,0,0|1,0,0]=3 34355 B13R2.2380 C1CCC(C1)CCSCC2CS2 62a_100000031435_100000760354 [0,0,0,2,0,0|1,1,0]=4 34356 B13R2.2380 C1CCC(C1)CCSCC2CS2 62a_100000760354_100000031435 [0,0,0,2,0,0|1,1,0]=4 34357 B13R2.2380 C1CCC(C1)CCSC[C@@H]2CO2 62a_100000745022_100000760354 [0,0,0,2,0,0|1,0,0]=3 34358 B13R2.2380 C1CCC(C1)CCSC[C@@H]2CO2 62a_100000760354_100000745022 [0,0,0,2,0,0|1,0,0]=3 34359 B13R2.2380 C1CCC(C1)CNCCC2CC2 2230a_100000737975_100000694398 [0,0,0,2,0,0|2,0,0]=4 34360 B13R2.2380 C1CCC(C1)CNCCC2CC2 269862a_100000764129_100000746403 [0,0,0,2,0,0|2,0,0]=4 34361 B13R2.2380 C1CCC(C1)CNCCC2CC2 34a_100000737975_100000694398 [0,0,0,2,0,0|2,0,0]=4 34362 B13R2.2380 C1CCC(C1)CNCCC2CC2 34a_100000764129_100000740388 [0,0,0,2,0,0|2,0,0]=4 34363 B13R2.2380 C1CCC(C1)CNCCC2CO2 2230a_100000737975_100000732470 [0,0,0,2,0,0|1,0,0]=3 34364 B13R2.2380 C1CCC(C1)CNCCC2CO2 34a_100000737975_100000732470 [0,0,0,2,0,0|1,0,0]=3 34365 B13R2.2380 C1CCC(C1)COCCC2CC2 34a_100000742336_100000694398 [0,0,0,2,0,0|2,0,0]=4 34366 B13R2.2380 C1CCC(C1)COCCC2CC2 34a_100000754188_100000740388 [0,0,0,2,0,0|2,0,0]=4 34367 B13R2.2380 C1CCC(C1)COCCC2CC2 7a_100000742336_100000764125 [0,0,0,2,0,0|2,0,0]=4 34368 B13R2.2380 C1CCC(C1)COCCC2CC2 7a_100000754188_100000740388 [0,0,0,2,0,0|2,0,0]=4 34369 B13R2.2380 C1CCC(C1)COCCC2CO2 34a_100000742336_100000732470 [0,0,0,2,0,0|1,0,0]=3 34370 B13R2.2380 C1CCC(C1)COCCC2CO2 7a_100000742336_100000732470 [0,0,0,2,0,0|1,0,0]=3 34371 B13R2.2380 C1CCC(C1)COCC[C@@H]2CO2 34a_100009820653_100000740388 [0,0,0,2,0,0|1,0,0]=3 34372 B13R2.2380 C1CCC(C1)CSCCC2CC2 62a_100000740388_100000764125 [0,0,0,2,0,0|2,0,0]=4 34373 B13R2.2380 C1CCC(C1)CSCCC2CC2 62a_100000764125_100000740388 [0,0,0,2,0,0|2,0,0]=4 34374 B13R2.2380 C1CCC(C1)CSCCC2CO2 62a_100000732470_100000740388 [0,0,0,2,0,0|1,0,0]=3 34375 B13R2.2380 C1CCC(C1)CSCCC2CO2 62a_100000740388_100000732470 [0,0,0,2,0,0|1,0,0]=3 34376 B13R2.2380 C1CCC(C1)NCCCC2CO2 2230a_100000211070_100000733510 [0,0,0,2,0,0|1,0,0]=3 34377 B13R2.2380 C1CCC(C1)NCCCC2CO2 34a_100000211070_100000733510 [0,0,0,2,0,0|1,0,0]=3 34378 B13R2.2380 C1CCC(C1)OCCCC2CO2 34a_100000210269_100000733510 [0,0,0,2,0,0|1,0,0]=3 34379 B13R2.2380 C1CCC(C1)OCCCC2CO2 7a_100000210269_100000733510 [0,0,0,2,0,0|1,0,0]=3 34380 B13R2.2380 C1CCN(C1)CCSCC2CO2 62a_100000700749_102125554688 [0,0,0,2,0,0|2,0,0]=4 34381 B13R2.2380 C1CCN(C1)CCSCC2CO2 62a_102125554688_100000004467 [0,0,0,2,0,0|2,0,0]=4 34382 B13R2.2380 C1CCN(C1)CCSC[C@@H]2CO2 62a_100000700749_100000745022 [0,0,0,2,0,0|2,0,0]=4 34383 B13R2.2380 C1CCN(C1)CCSC[C@@H]2CO2 62a_100000745022_100000004467 [0,0,0,2,0,0|2,0,0]=4 34384 B13R2.2380 C1CN[C@H](C1)COCCC2CC2 34a_100000745186_100000694398 [0,0,0,2,0,0|2,0,0]=4 34385 B13R2.2380 C1CN[C@H](C1)COCCC2CO2 34a_100000745186_100000732470 [0,0,0,2,0,0|2,0,0]=4 34386 B13R2.2380 C1COC(C1)COCCC2CC2 34a_100000210270_100000694398 [0,0,0,2,0,0|1,0,0]=3 34387 B13R2.2380 C1COC(C1)COCCC2CC2 7a_100000210270_100000764125 [0,0,0,2,0,0|1,0,0]=3 34388 B13R2.2380 C1COC(C1)COCCC2CC2 7a_100000754188_100000203698 [0,0,0,2,0,0|1,0,0]=3 34389 B13R2.2380 C1COC(C1)COCCC2CO2 34a_100000210270_100000732470 [0,0,0,2,0,0|2,0,0]=4 34390 B13R2.2380 C1COC(C1)COCCC2CO2 7a_100000210270_100000732470 [0,0,0,2,0,0|2,0,0]=4 34391 B13R2.2380 C1COC(C1)CSCCC2CC2 62a_100000203698_100000764125 [0,0,0,2,0,0|1,0,0]=3 34392 B13R2.2380 C1COC(C1)CSCCC2CC2 62a_100000764125_100000203698 [0,0,0,2,0,0|1,0,0]=3 34393 B13R2.2380 C1COC(C1)CSCCC2CO2 62a_100000203698_100000732470 [0,0,0,2,0,0|2,0,0]=4 34394 B13R2.2380 C1COC(C1)CSCCC2CO2 62a_100000732470_100000203698 [0,0,0,2,0,0|2,0,0]=4 34395 B13R2.2380 C1COC(O1)CCSCC2CC2 62a_100000756562_100000740749 [0,0,0,2,0,0|2,0,0]=4 34396 B13R2.2380 C1COC(O1)CSCCC2CC2 62a_100000755774_100000764125 [0,0,0,2,0,0|2,0,0]=4 34397 B13R2.2380 C1COC(O1)CSCCC2CC2 62a_100000764125_100000755774 [0,0,0,2,0,0|2,0,0]=4 34398 B13R2.2380 C1CO[C@@H](C1)CNCCC2CC2 2230a_100020590478_100000694398 [0,0,0,2,0,0|1,0,0]=3 34399 B13R2.2380 C1CO[C@@H](C1)CNCCC2CC2 34a_100020590478_100000694398 [0,0,0,2,0,0|1,0,0]=3 34400 B13R2.2380 C1CO[C@@H](C1)CNCCC2CO2 2230a_100020590478_100000732470 [0,0,0,2,0,0|2,0,0]=4 34401 B13R2.2380 C1CO[C@@H](C1)CNCCC2CO2 34a_100020590478_100000732470 [0,0,0,2,0,0|2,0,0]=4 34402 B13R2.2381 C(CC1OCCO1)CN2CCC2 269982a_100000754969_100000042513 [0,0,0,2,0,0|2,0,0]=4 34403 B13R2.2381 C1CC(C1)CNCC2CCCO2 2230a_100000738700_100000203698 [0,0,0,2,0,0|1,0,0]=3 34404 B13R2.2381 C1CC(C1)CNCC2OCCO2 2230a_100000036311_100000763275 [0,0,0,2,0,0|2,0,0]=4 34405 B13R2.2381 C1CC(C1)CNCC2OCCO2 2230a_100000738700_100000755774 [0,0,0,2,0,0|2,0,0]=4 34406 B13R2.2381 C1CC(C1)CNCC2OCCO2 34a_100000036311_100000763275 [0,0,0,2,0,0|2,0,0]=4 34407 B13R2.2381 C1CC(C1)CNCC2OCCO2 34a_100000738700_100000755774 [0,0,0,2,0,0|2,0,0]=4 34408 B13R2.2381 C1CC(C1)CNC[C@@H]2CCCO2 2230a_100020590478_100000763275 [0,0,0,2,0,0|1,0,0]=3 34409 B13R2.2381 C1CC(C1)CNC[C@@H]2CCCO2 269862a_100020590478_100000753134 [0,0,0,2,0,0|1,0,0]=3 34410 B13R2.2381 C1CC(C1)CNC[C@@H]2CCCO2 34a_100020590478_100000763275 [0,0,0,2,0,0|1,0,0]=3 34411 B13R2.2381 C1CC(C1)COCC2CCCO2 34a_100000210270_100000763275 [0,0,0,2,0,0|1,0,0]=3 34412 B13R2.2381 C1CC(C1)COCC2CCCO2 7a_100000210270_100000763275 [0,0,0,2,0,0|1,0,0]=3 34413 B13R2.2381 C1CC(C1)COCC2COCO2 34a_100011216627_100000763275 [0,0,0,2,0,0|2,0,0]=4 34414 B13R2.2381 C1CC(C1)COCC2OCCO2 34a_100000087154_100000763275 [0,0,0,2,0,0|2,0,0]=4 34415 B13R2.2381 C1CC(C1)COCC2OCCO2 34a_100000760304_100000755774 [0,0,0,2,0,0|2,0,0]=4 34416 B13R2.2381 C1CC(C1)COC[C@H]2CCCN2 34a_100000745186_100000763275 [0,0,0,2,0,0|2,0,0]=4 34417 B13R2.2381 C1CC(C1)CSCC2CCCO2 62a_100000203698_100000763275 [0,0,0,2,0,0|1,0,0]=3 34418 B13R2.2381 C1CC(C1)CSCC2CCCO2 62a_100000763275_100000203698 [0,0,0,2,0,0|1,0,0]=3 34419 B13R2.2381 C1CC(C1)CSCC2OCCO2 62a_100000755774_100000763275 [0,0,0,2,0,0|2,0,0]=4 34420 B13R2.2381 C1CC(C1)CSCC2OCCO2 62a_100000763275_100000755774 [0,0,0,2,0,0|2,0,0]=4 34421 B13R2.2381 C1CC(C1)NCCC2OCCO2 2230a_100000749019_100000740749 [0,0,0,2,0,0|2,0,0]=4 34422 B13R2.2381 C1CC(C1)NCCC2OCCO2 270004a_100000034215_100000241760 [0,0,0,2,0,0|2,0,0]=4 34423 B13R2.2381 C1CC(C1)NCCC2OCCO2 34a_100000034215_100000749161 [0,0,0,2,0,0|2,0,0]=4 34424 B13R2.2381 C1CC(C1)NCCC2OCCO2 34a_100000749019_100000740749 [0,0,0,2,0,0|2,0,0]=4 34425 B13R2.2381 C1CC(C1)OCCC2OCCO2 34a_100000748187_100000740749 [0,0,0,2,0,0|2,0,0]=4 34426 B13R2.2381 C1CC(CN1)COCC2CCO2 34a_100000748654_100000103362 [0,0,0,2,0,0|2,0,0]=4 34427 B13R2.2381 C1CC(CO1)CNCC2CCO2 2230a_100000737293_100000103362 [0,0,0,2,0,0|2,0,0]=4 34428 B13R2.2381 C1CC(CO1)CNCC2CCO2 34a_100000737293_100000103362 [0,0,0,2,0,0|2,0,0]=4 34429 B13R2.2381 C1CC(CO1)CNC[C@@H]2CCO2 2230a_100020831831_100000702531 [0,0,0,2,0,0|2,0,0]=4 34430 B13R2.2381 C1CC(CO1)CNC[C@@H]2CCO2 34a_100020831831_100011261433 [0,0,0,2,0,0|2,0,0]=4 34431 B13R2.2381 C1CC(CO1)COCC2CCO2 34a_100000039022_100011261433 [0,0,0,2,0,0|2,0,0]=4 34432 B13R2.2381 C1CC(CO1)COCC2CCO2 34a_100000740260_100000103362 [0,0,0,2,0,0|2,0,0]=4 34433 B13R2.2381 C1CC(CO1)CSCC2CCO2 62a_100000103362_100000702531 [0,0,0,2,0,0|2,0,0]=4 34434 B13R2.2381 C1CC(CO1)CSCC2CCO2 62a_100000702531_100000103362 [0,0,0,2,0,0|2,0,0]=4 34435 B13R2.2381 C1CCC(C1)CCCN2CCC2 269982a_100000754969_100011713738 [0,0,0,2,0,0|2,0,0]=4 34436 B13R2.2381 C1CCC(C1)CCNC2CCC2 2230a_100000749019_100000760354 [0,0,0,2,0,0|2,0,0]=4 34437 B13R2.2381 C1CCC(C1)CCNC2CCC2 270004a_100000739158_100000241760 [0,0,0,2,0,0|2,0,0]=4 34438 B13R2.2381 C1CCC(C1)CCNC2CCC2 34a_100000739158_100000749161 [0,0,0,2,0,0|2,0,0]=4 34439 B13R2.2381 C1CCC(C1)CCNC2CCC2 34a_100000749019_100000760354 [0,0,0,2,0,0|2,0,0]=4 34440 B13R2.2381 C1CCC(C1)CCOC2CCC2 34a_100000748187_100000760354 [0,0,0,2,0,0|2,0,0]=4 34441 B13R2.2381 C1CCC(C1)CCOC2CCC2 34a_100000749090_100000749161 [0,0,0,2,0,0|2,0,0]=4 34442 B13R2.2381 C1CCC(C1)CCSC2CCC2 62a_100000760354_100000749161 [0,0,0,2,0,0|2,0,0]=4 34443 B13R2.2381 C1CCC(C1)CNCC2CCC2 2230a_100000737975_100000763275 [0,0,0,2,0,0|2,0,0]=4 34444 B13R2.2381 C1CCC(C1)CNCC2CCC2 2230a_100000738700_100000740388 [0,0,0,2,0,0|2,0,0]=4 34445 B13R2.2381 C1CCC(C1)CNCC2CCC2 269862a_100000737975_100000753134 [0,0,0,2,0,0|2,0,0]=4 34446 B13R2.2381 C1CCC(C1)CNCC2CCC2 269862a_100000738700_100000746403 [0,0,0,2,0,0|2,0,0]=4 34447 B13R2.2381 C1CCC(C1)CNCC2CCC2 34a_100000737975_100000763275 [0,0,0,2,0,0|2,0,0]=4 34448 B13R2.2381 C1CCC(C1)CNCC2CCC2 34a_100000738700_100000740388 [0,0,0,2,0,0|2,0,0]=4 34449 B13R2.2381 C1CCC(C1)CNCC2CCO2 2230a_100000737975_100000103362 [0,0,0,2,0,0|1,0,0]=3 34450 B13R2.2381 C1CCC(C1)CNCC2CCO2 34a_100000737975_100000103362 [0,0,0,2,0,0|1,0,0]=3 34451 B13R2.2381 C1CCC(C1)CNC[C@@H]2CCO2 2230a_100020831831_100000740388 [0,0,0,2,0,0|1,0,0]=3 34452 B13R2.2381 C1CCC(C1)CNC[C@@H]2CCO2 269862a_100020831831_100000746403 [0,0,0,2,0,0|1,0,0]=3 34453 B13R2.2381 C1CCC(C1)CNC[C@@H]2CCO2 34a_100020831831_100000740388 [0,0,0,2,0,0|1,0,0]=3 34454 B13R2.2381 C1CCC(C1)COCC2CCC2 34a_100000742336_100000763275 [0,0,0,2,0,0|2,0,0]=4 34455 B13R2.2381 C1CCC(C1)COCC2CCC2 34a_100000760304_100000740388 [0,0,0,2,0,0|2,0,0]=4 34456 B13R2.2381 C1CCC(C1)COCC2CCC2 7a_100000742336_100000763275 [0,0,0,2,0,0|2,0,0]=4 34457 B13R2.2381 C1CCC(C1)COCC2CCO2 34a_100000039022_100000740388 [0,0,0,2,0,0|1,0,0]=3 34458 B13R2.2381 C1CCC(C1)COCC2CCO2 34a_100000742336_100000103362 [0,0,0,2,0,0|1,0,0]=3 34459 B13R2.2381 C1CCC(C1)COCC2CCO2 7a_100000742336_100000103362 [0,0,0,2,0,0|1,0,0]=3 34460 B13R2.2381 C1CCC(C1)CSCC2CCC2 62a_100000740388_100000763275 [0,0,0,2,0,0|2,0,0]=4 34461 B13R2.2381 C1CCC(C1)CSCC2CCC2 62a_100000763275_100000740388 [0,0,0,2,0,0|2,0,0]=4 34462 B13R2.2381 C1CCC(C1)CSCC2CCO2 62a_100000103362_100000740388 [0,0,0,2,0,0|1,0,0]=3 34463 B13R2.2381 C1CCC(C1)CSCC2CCO2 62a_100000740388_100000103362 [0,0,0,2,0,0|1,0,0]=3 34464 B13R2.2381 C1CN[C@H](C1)COCC2CCO2 34a_100000745186_100000103362 [0,0,0,2,0,0|2,0,0]=4 34465 B13R2.2381 C1COC(C1)CNCC2COC2 2230a_100015281925_100000203698 [0,0,0,2,0,0|2,0,0]=4 34466 B13R2.2381 C1COC(C1)CNC[C@@H]2CCO2 2230a_100020831831_100000203698 [0,0,0,2,0,0|2,0,0]=4 34467 B13R2.2381 C1COC(C1)COCC2CCO2 34a_100000210270_100000103362 [0,0,0,2,0,0|2,0,0]=4 34468 B13R2.2381 C1COC(C1)COCC2CCO2 7a_100000210270_100000103362 [0,0,0,2,0,0|2,0,0]=4 34469 B13R2.2381 C1COC(C1)COCC2COC2 34a_100000210270_100010264016 [0,0,0,2,0,0|2,0,0]=4 34470 B13R2.2381 C1COC(C1)COCC2COC2 7a_100000210270_100010264016 [0,0,0,2,0,0|2,0,0]=4 34471 B13R2.2381 C1COC(C1)CSCC2CCO2 62a_100000103362_100000203698 [0,0,0,2,0,0|2,0,0]=4 34472 B13R2.2381 C1COC(C1)CSCC2CCO2 62a_100000203698_100000103362 [0,0,0,2,0,0|2,0,0]=4 34473 B13R2.2381 C1COC(C1)CSCC2COC2 62a_100000203698_100010264016 [0,0,0,2,0,0|2,0,0]=4 34474 B13R2.2381 C1COC(C1)CSCC2COC2 62a_100010264016_100000203698 [0,0,0,2,0,0|2,0,0]=4 34475 B13R2.2381 C1CO[C@@H](C1)CNCC2CCO2 2230a_100020590478_100000103362 [0,0,0,2,0,0|2,0,0]=4 34476 B13R2.2381 C1CO[C@@H](C1)CNCC2CCO2 34a_100020590478_100000103362 [0,0,0,2,0,0|2,0,0]=4 34477 B13R2.2381 C1CO[C@@H](C1)CNCC2COC2 2230a_100020590478_100010264016 [0,0,0,2,0,0|2,0,0]=4 34478 B13R2.2381 C1CO[C@@H](C1)CNCC2COC2 34a_100020590478_100010264016 [0,0,0,2,0,0|2,0,0]=4 34479 B13R2.2520 BrCCCOC1CC2CCC1C2 34a_100011217188_100000727232 [0,0,0,2,0,0|2,0,0]=4 34480 B13R2.2520 CCCCCN1CC2CCC1C2 2230a_100000743476_100000210326 [0,0,0,2,0,0|2,0,0]=4 34481 B13R2.2520 CCCCCN1CC2CCC1C2 269982a_100000743476_100000210215 [0,0,0,2,0,0|2,0,0]=4 34482 B13R2.2520 CCCCCN1CC2CCC1C2 34a_100000743476_100000718602 [0,0,0,2,0,0|2,0,0]=4 34483 B13R2.2520 CCCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210326 [0,0,0,2,0,0|1,0,0]=3 34484 B13R2.2520 CCCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210215 [0,0,0,2,0,0|1,0,0]=3 34485 B13R2.2520 CCCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000718602 [0,0,0,2,0,0|1,0,0]=3 34486 B13R2.2520 CCCCNC1CC2CCC1C2 2230a_100000758229_100000210211 [0,0,0,2,0,0|2,0,0]=4 34487 B13R2.2520 CCCCNC1CC2CCC1C2 269862a_100000102301_100000223372 [0,0,0,2,0,0|2,0,0]=4 34488 B13R2.2520 CCCCNC1CC2CCC1C2 270004a_100000102301_100000223372 [0,0,0,2,0,0|2,0,0]=4 34489 B13R2.2520 CCCCNC1CC2CCC1C2 34a_100000758229_100000210210 [0,0,0,2,0,0|2,0,0]=4 34490 B13R2.2520 CCCCOC1CC2CCC1C2 34a_100000210227_100000727232 [0,0,0,2,0,0|2,0,0]=4 34491 B13R2.2520 CCCCOC1CC2CCC1C2 34a_100000211339_100000210210 [0,0,0,2,0,0|2,0,0]=4 34492 B13R2.2520 CCCCSC1CC2CCC1C2 62a_100000210211_100000727232 [0,0,0,2,0,0|2,0,0]=4 34493 B13R2.2520 CCCCSC1CC2CCC1C2 62a_100000727232_100000210210 [0,0,0,2,0,0|2,0,0]=4 34494 B13R2.2520 CCCNCC1CC2CCC1C2 269862a_100020643023_100000697602 [0,0,0,2,0,0|2,0,0]=4 34495 B13R2.2520 CCCNCC1CC2CCC1C2 270004a_100020643023_100000697602 [0,0,0,2,0,0|2,0,0]=4 34496 B13R2.2520 CCCOCC1CC2CCC1C2 34a_100000229996_100000210303 [0,0,0,2,0,0|2,0,0]=4 34497 B13R2.2520 CCOCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100011215890 [0,0,0,2,0,0|2,0,0]=4 34498 B13R2.2520 CCOCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100011215890 [0,0,0,2,0,0|2,0,0]=4 34499 B13R2.2520 CCOCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210147 [0,0,0,2,0,0|2,0,0]=4 34500 B13R2.2520 CCSCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000757381 [0,0,0,2,0,0|2,0,0]=4 34501 B13R2.2520 CCSCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000757381 [0,0,0,2,0,0|2,0,0]=4 34502 B13R2.2520 CCSCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000757381 [0,0,0,2,0,0|2,0,0]=4 34503 B13R2.2520 COCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000740836 [0,0,0,2,0,0|2,0,0]=4 34504 B13R2.2520 COCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000740836 [0,0,0,2,0,0|2,0,0]=4 34505 B13R2.2520 COCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000740836 [0,0,0,2,0,0|2,0,0]=4 34506 B13R2.2520 ClCCCOC1CC2CCC1C2 34a_100000230001_100000727232 [0,0,0,2,0,0|2,0,0]=4 34507 B13R2.2520 FCCCCN1CC2CCC1C2 2230a_100000743476_100000729493 [0,0,0,2,0,0|2,0,0]=4 34508 B13R2.2520 FCCCCN1CC2CCC1C2 269982a_100000743476_100000729493 [0,0,0,2,0,0|2,0,0]=4 34509 B13R2.2520 FCCCCN1CC2CCC1C2 34a_100000743476_100000729493 [0,0,0,2,0,0|2,0,0]=4 34510 B13R2.2520 FCCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000729493 [0,0,0,2,0,0|2,0,0]=4 34511 B13R2.2520 FCCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000729493 [0,0,0,2,0,0|2,0,0]=4 34512 B13R2.2520 FCCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000729493 [0,0,0,2,0,0|2,0,0]=4 34513 B13R2.2520 FCCCNC1CC2CCC1C2 2230a_100000758229_100011934791 [0,0,0,2,0,0|2,0,0]=4 34514 B13R2.2520 FCCCNC1CC2CCC1C2 269862a_100015189416_100000223372 [0,0,0,2,0,0|2,0,0]=4 34515 B13R2.2520 FCCCNC1CC2CCC1C2 270004a_100015189416_100000223372 [0,0,0,2,0,0|2,0,0]=4 34516 B13R2.2520 FCCCNC1CC2CCC1C2 34a_100000758229_100011934791 [0,0,0,2,0,0|2,0,0]=4 34517 B13R2.2520 FCCCNC1CC2CCC1C2 34a_100015189416_100000727232 [0,0,0,2,0,0|2,0,0]=4 34518 B13R2.2520 FCCCOC1CC2CCC1C2 34a_100000211339_100011934791 [0,0,0,2,0,0|2,0,0]=4 34519 B13R2.2520 FCCCOC1CC2CCC1C2 34a_100000759539_100000727232 [0,0,0,2,0,0|2,0,0]=4 34520 B13R2.2520 FCCCSC1CC2CCC1C2 62a_100000727232_100011934791 [0,0,0,2,0,0|2,0,0]=4 34521 B13R2.2520 FCCCSC1CC2CCC1C2 62a_100011934791_100000727232 [0,0,0,2,0,0|2,0,0]=4 34522 B13R2.2520 FCCNCC1CC2CCC1C2 269862a_100000724931_100000697602 [0,0,0,2,0,0|2,0,0]=4 34523 B13R2.2520 FCCOCC1CC2CCC1C2 34a_100000229996_100011217306 [0,0,0,2,0,0|2,0,0]=4 34524 B13R2.2520 NCCCOC1CC2CCC1C2 34a_100000182051_100000727232 [0,0,0,2,0,0|2,0,0]=4 34525 B13R2.2520 OCCCCN1CC2CCC1C2 2230a_100000743476_100000210776 [0,0,0,2,0,0|1,0,0]=3 34526 B13R2.2520 OCCCCN1CC2CCC1C2 269982a_100000743476_100000210776 [0,0,0,2,0,0|1,0,0]=3 34527 B13R2.2520 OCCCCN1CC2CCC1C2 34a_100000743476_100011216708 [0,0,0,2,0,0|1,0,0]=3 34528 B13R2.2520 OCCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210776 [0,0,0,2,0,0|2,0,0]=4 34529 B13R2.2520 OCCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210776 [0,0,0,2,0,0|2,0,0]=4 34530 B13R2.2520 OCCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100011216708 [0,0,0,2,0,0|2,0,0]=4 34531 B13R2.2520 OCCCNC1CC2CCC1C2 2230a_100000758229_100000230001 [0,0,0,2,0,0|1,0,0]=3 34532 B13R2.2520 OCCCNC1CC2CCC1C2 269862a_100000182051_100000223372 [0,0,0,2,0,0|1,0,0]=3 34533 B13R2.2520 OCCCNC1CC2CCC1C2 270004a_100000182051_100000223372 [0,0,0,2,0,0|1,0,0]=3 34534 B13R2.2520 OCCCNC1CC2CCC1C2 34a_100000758229_100000230001 [0,0,0,2,0,0|1,0,0]=3 34535 B13R2.2520 OCCCOC1CC2CCC1C2 34a_100000211339_100000230001 [0,0,0,2,0,0|1,0,0]=3 34536 B13R2.2520 OCCCSC1CC2CCC1C2 62a_100000727232_100011215043 [0,0,0,2,0,0|1,0,0]=3 34537 B13R2.2520 OCCCSC1CC2CCC1C2 62a_100011215043_100000727232 [0,0,0,2,0,0|1,0,0]=3 34538 B13R2.2520 OCCNCC1CC2CCC1C2 269862a_100000210304_100000697602 [0,0,0,2,0,0|1,0,0]=3 34539 B13R2.2520 OCCNCC1CC2CCC1C2 270004a_100000210304_100000697602 [0,0,0,2,0,0|1,0,0]=3 34540 B13R2.2520 OCCOCC1CC2CCC1C2 34a_100000229996_100000211926 [0,0,0,2,0,0|1,0,0]=3 34541 B13R2.449 CCOC1CCC2CCCC2C1 34a_100000073670_100000210202 [0,0,0,2,0,0|2,0,0]=4 34542 B13R2.449 CCOC1CCC2CCCC2C1 7a_100000073670_100000210202 [0,0,0,2,0,0|2,0,0]=4 34543 B13R2.449 FCOC1CCC2CCCC2C1 34a_100000073670_100015361967 [0,0,0,2,0,0|2,0,0]=4 34544 B13R2.449 FCOC1CCC2CCCC2C1 7a_100000073670_100015361967 [0,0,0,2,0,0|2,0,0]=4 34545 B13R2.449 OCCN1CCN2CCC[C@@H]2C1 2230a_100000008389_100000211926 [0,0,0,2,0,0|2,0,0]=4 34546 B13R2.449 OCCN1CCN2CCC[C@@H]2C1 269982a_100000008389_100000211926 [0,0,0,2,0,0|2,0,0]=4 34547 B13R2.449 OCCN1CCN2CCC[C@@H]2C1 34a_100000008389_100000211926 [0,0,0,2,0,0|2,0,0]=4 34548 B13R2.673 CCCCCN1CCCC12CC2 2230a_100020620911_100000210326 [0,0,0,2,0,0|2,0,0]=4 34549 B13R2.673 CCCCCN1CCCC12CC2 269982a_100020620911_100000210215 [0,0,0,2,0,0|2,0,0]=4 34550 B13R2.673 CCCCCN1CCCC12CC2 34a_100020620911_100000718602 [0,0,0,2,0,0|2,0,0]=4 34551 B13R2.673 CCCCNC1CCCC12CC2 269862a_100000102301_100009881796 [0,0,0,2,0,0|2,0,0]=4 34552 B13R2.673 FCCCCN1CCCC12CC2 2230a_100020620911_100000729493 [0,0,0,2,0,0|2,0,0]=4 34553 B13R2.673 FCCCCN1CCCC12CC2 269982a_100020620911_100000729493 [0,0,0,2,0,0|2,0,0]=4 34554 B13R2.673 FCCCCN1CCCC12CC2 34a_100020620911_100000729493 [0,0,0,2,0,0|2,0,0]=4 34555 B13R2.673 FCCCNC1CCCC12CC2 269862a_100015189416_100009881796 [0,0,0,2,0,0|2,0,0]=4 34556 B13R2.673 OCCCCN1CCCC12CC2 2230a_100020620911_100000210776 [0,0,0,2,0,0|1,0,0]=3 34557 B13R2.673 OCCCCN1CCCC12CC2 269982a_100020620911_100000210776 [0,0,0,2,0,0|1,0,0]=3 34558 B13R2.673 OCCCCN1CCCC12CC2 34a_100020620911_100011216708 [0,0,0,2,0,0|1,0,0]=3 34559 B13R2.673 OCCCNC1CCCC12CC2 269862a_100000182051_100009881796 [0,0,0,2,0,0|1,0,0]=3 34560 B13R2.1650 CCC1CCCC1NCC2CC2 270004a_100000735609_100000749056 [0,0,0,2,0,0|2,0,0]=4 34561 B13R2.1650 CCC1CCCN1CCC2CC2 2230a_100000754278_100000694398 [0,0,0,2,0,0|2,0,0]=4 34562 B13R2.1650 CCC1CCCN1CCC2CC2 269982a_100000754278_100000694398 [0,0,0,2,0,0|2,0,0]=4 34563 B13R2.1650 CCC1CCCN1CCC2CC2 34a_100000754278_100000694398 [0,0,0,2,0,0|2,0,0]=4 34564 B13R2.1650 CCC1CCCN1CCC2CO2 2230a_100000754278_100000732470 [0,0,0,2,0,0|1,0,0]=3 34565 B13R2.1650 CCC1CCCN1CCC2CO2 269982a_100000754278_100000732470 [0,0,0,2,0,0|1,0,0]=3 34566 B13R2.1650 CCC1CCCN1CCC2CO2 34a_100000754278_100000732470 [0,0,0,2,0,0|1,0,0]=3 34567 B13R2.1650 OC[C@H]1CCCN1CCC2CC2 2230a_100000745186_100000694398 [0,0,0,2,0,0|1,0,0]=3 34568 B13R2.1650 OC[C@H]1CCCN1CCC2CC2 269982a_100000745186_100000694398 [0,0,0,2,0,0|1,0,0]=3 34569 B13R2.1650 OC[C@H]1CCCN1CCC2CC2 34a_100000745186_100000694398 [0,0,0,2,0,0|1,0,0]=3 34570 B13R2.1650 OC[C@H]1CCCN1CCC2CO2 2230a_100000745186_100000732470 [0,0,0,2,0,0|2,0,0]=4 34571 B13R2.1650 OC[C@H]1CCCN1CCC2CO2 269982a_100000745186_100000732470 [0,0,0,2,0,0|2,0,0]=4 34572 B13R2.1650 OC[C@H]1CCCN1CCC2CO2 34a_100000745186_100000732470 [0,0,0,2,0,0|2,0,0]=4 34573 B13R2.1680 CCC1CCCC1NC2CCC2 269862a_100000749019_100000749056 [0,0,0,2,0,0|2,0,0]=4 34574 B13R2.1680 CCC1CCCN1CC2CCC2 2230a_100000754278_100000763275 [0,0,0,2,0,0|2,0,0]=4 34575 B13R2.1680 CCC1CCCN1CC2CCC2 269982a_100000754278_100000763275 [0,0,0,2,0,0|2,0,0]=4 34576 B13R2.1680 CCC1CCCN1CC2CCC2 34a_100000754278_100000763275 [0,0,0,2,0,0|2,0,0]=4 34577 B13R2.1680 CCC1CCCN1CC2CCO2 2230a_100000754278_100000103362 [0,0,0,2,0,0|1,0,0]=3 34578 B13R2.1680 CCC1CCCN1CC2CCO2 269982a_100000754278_100000103362 [0,0,0,2,0,0|1,0,0]=3 34579 B13R2.1680 CCC1CCCN1CC2CCO2 34a_100000754278_100000103362 [0,0,0,2,0,0|1,0,0]=3 34580 B13R2.1680 OC[C@H]1CCCN1CC2CCC2 2230a_100000745186_100000763275 [0,0,0,2,0,0|1,0,0]=3 34581 B13R2.1680 OC[C@H]1CCCN1CC2CCC2 269982a_100000745186_100000763275 [0,0,0,2,0,0|1,0,0]=3 34582 B13R2.1680 OC[C@H]1CCCN1CC2CCC2 34a_100000745186_100000763275 [0,0,0,2,0,0|1,0,0]=3 34583 B13R2.1680 OC[C@H]1CCCN1CC2CCO2 2230a_100000745186_100000103362 [0,0,0,2,0,0|2,0,0]=4 34584 B13R2.1680 OC[C@H]1CCCN1CC2CCO2 269982a_100000745186_100000103362 [0,0,0,2,0,0|2,0,0]=4 34585 B13R2.1680 OC[C@H]1CCCN1CC2CCO2 34a_100000745186_100000103362 [0,0,0,2,0,0|2,0,0]=4 34586 B13R2.1680 OC[C@H]1CCCN1CC2COC2 2230a_100000745186_100010264016 [0,0,0,2,0,0|2,0,0]=4 34587 B13R2.1680 OC[C@H]1CCCN1CC2COC2 269982a_100000745186_100010264016 [0,0,0,2,0,0|2,0,0]=4 34588 B13R2.1680 OC[C@H]1CCCN1CC2COC2 34a_100000745186_100010264016 [0,0,0,2,0,0|2,0,0]=4 34589 B13R2.2401 CCN1C[C@H]2C[C@@H]1CN2CCO 2230a_200016994038_100000211926 [0,0,0,2,0,0|2,0,0]=4 34590 B13R2.2401 CCN1C[C@H]2C[C@@H]1CN2CCO 269982a_200016994038_100000211926 [0,0,0,2,0,0|2,0,0]=4 34591 B13R2.32 CC1CCC2CCCCC2N1C 2230a_100132302184_200000210301 [0,0,0,2,0,0|2,0,0]=4 34592 B13R2.32 CC1CCC2CCCCC2N1C 269982a_100132302184_200000210301 [0,0,0,2,0,0|2,0,0]=4 34593 B13R2.32 CC1CCC2CCCCC2N1C 34a_100132302184_200000210301 [0,0,0,2,0,0|2,0,0]=4 34594 B13R2.32 CC1CCC2CCCCC2N1[13CH3] 2230a_100132302184_200025704644 [0,0,0,2,0,0|2,0,0]=4 34595 B13R2.32 CC1CCC2CCCCC2N1[13CH3] 269982a_100132302184_200025704644 [0,0,0,2,0,0|2,0,0]=4 34596 B13R2.32 CC1CCC2CCCCC2N1[13CH3] 34a_100132302184_200025704644 [0,0,0,2,0,0|2,0,0]=4 34597 B13R2.57 CCN1CCC2CCCCC2C1 2230a_100000211783_100000210202 [0,0,0,2,0,0|2,0,0]=4 34598 B13R2.57 CCN1CCC2CCCCC2C1 269982a_100000211783_100000204670 [0,0,0,2,0,0|2,0,0]=4 34599 B13R2.57 CCN1CCC2CCCCC2C1 34a_100000211783_100000210202 [0,0,0,2,0,0|2,0,0]=4 34600 B13R2.57 CNC1CCC2CCCCC2C1 270004a_106832991635_100000211418 [0,0,0,2,0,0|2,0,0]=4 34601 B13R2.57 COC1CCC2CCCCC2C1 34a_100000211317_200000210301 [0,0,0,2,0,0|2,0,0]=4 34602 B13R2.57 COC1CCC2CCCCC2C1 7a_100000211317_200000210301 [0,0,0,2,0,0|2,0,0]=4 34603 B13R2.57 FCN1CCC2CCCCC2C1 269982a_100000211783_100015361967 [0,0,0,2,0,0|2,0,0]=4 34604 B13R2.57 FCN1CCC2CCCCC2C1 34a_100000211783_100015361967 [0,0,0,2,0,0|2,0,0]=4 34605 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 34a_100000211317_200025704644 [0,0,0,2,0,0|2,0,0]=4 34606 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 7a_100000211317_200025704644 [0,0,0,2,0,0|2,0,0]=4 34607 B13R2.489 OCCCN1C2CCC1COC2 2230a_100015205251_100000230001 [0,0,0,2,0,0|2,0,0]=4 34608 B13R2.489 OCCCN1C2CCC1COC2 269982a_100015205251_100011215043 [0,0,0,2,0,0|2,0,0]=4 34609 B13R2.489 OCCCN1C2CCC1COC2 34a_100015205251_100000230001 [0,0,0,2,0,0|2,0,0]=4 34610 B13R2.621 CCC1CCCCC1OC2CC2 34a_100000210738_100000211595 [0,0,0,2,0,0|2,0,0]=4 34611 B13R2.621 CCC1CCCCN1CC2CC2 2230a_100000210034_100000742324 [0,0,0,2,0,0|2,0,0]=4 34612 B13R2.621 CCC1CCCCN1CC2CC2 269982a_100000210034_100000756562 [0,0,0,2,0,0|2,0,0]=4 34613 B13R2.621 CCC1CCCCN1CC2CC2 34a_100000210034_100000742324 [0,0,0,2,0,0|2,0,0]=4 34614 B13R2.621 CCC1CCCCN1CC2CO2 2230a_100000210034_100011216344 [0,0,0,2,0,0|1,0,0]=3 34615 B13R2.621 CCC1CCCCN1CC2CO2 269982a_100000210034_102125554688 [0,0,0,2,0,0|1,0,0]=3 34616 B13R2.621 CCC1CCCCN1CC2CO2 34a_100000210034_102125554688 [0,0,0,2,0,0|1,0,0]=3 34617 B13R2.621 CCC1CCCCN1CC2CS2 269982a_100000210034_100000031435 [0,0,0,2,0,0|1,1,0]=4 34618 B13R2.621 CCC1CCCCN1C[C@@H]2CO2 269982a_100000210034_100000745022 [0,0,0,2,0,0|1,0,0]=3 34619 B13R2.621 CC[C@H]1COCCN1CC2CO2 2230a_100016988097_100011216344 [0,0,0,2,0,0|2,0,0]=4 34620 B13R2.621 CC[C@H]1COCCN1CC2CO2 269982a_100016988097_102125554688 [0,0,0,2,0,0|2,0,0]=4 34621 B13R2.621 CC[C@H]1COCCN1CC2CO2 34a_100016988097_102125554688 [0,0,0,2,0,0|2,0,0]=4 34622 B13R2.621 CC[C@H]1COCCN1C[C@@H]2CO2 269982a_100016988097_100000745022 [0,0,0,2,0,0|2,0,0]=4 34623 B13R2.621 NCC1CCCCC1OC2CC2 34a_100011216029_100000211595 [0,0,0,2,0,0|2,0,0]=4 34624 B13R2.621 OCC1CCCCN1CC2CC2 2230a_100000210821_100000742324 [0,0,0,2,0,0|1,0,0]=3 34625 B13R2.621 OCC1CCCCN1CC2CC2 269982a_100000210821_100000756562 [0,0,0,2,0,0|1,0,0]=3 34626 B13R2.621 OCC1CCCCN1CC2CC2 34a_100000210821_100000742324 [0,0,0,2,0,0|1,0,0]=3 34627 B13R2.621 OCC1CCCCN1CC2CO2 2230a_100000210821_100011216344 [0,0,0,2,0,0|2,0,0]=4 34628 B13R2.621 OCC1CCCCN1CC2CO2 269982a_100000210821_102125554688 [0,0,0,2,0,0|2,0,0]=4 34629 B13R2.621 OCC1CCCCN1CC2CO2 34a_100000210821_102125554688 [0,0,0,2,0,0|2,0,0]=4 34630 B13R2.621 OCC1CCCCN1CC2CS2 269982a_100000210821_100000031435 [0,0,0,2,0,0|2,0,0]=4 34631 B13R2.621 OCC1CCCCN1C[C@@H]2CO2 269982a_100000210821_100000745022 [0,0,0,2,0,0|2,0,0]=4 34632 B13R2.621 OCC1COCCC1NC2CC2 34a_214813039666_100000211595 [0,0,0,2,0,0|2,0,0]=4 34633 B13R2.621 OC[C@@H]1COCCN1CC2CC2 2230a_100000717676_100000742324 [0,0,0,2,0,0|2,0,0]=4 34634 B13R2.621 OC[C@@H]1COCCN1CC2CC2 269982a_100000717676_100000756562 [0,0,0,2,0,0|2,0,0]=4 34635 B13R2.621 OC[C@@H]1COCCN1CC2CC2 34a_100000717676_100000742324 [0,0,0,2,0,0|2,0,0]=4 34636 B13R2.2528 CCC1CCCCN1C2CCC2 269982a_100000210034_100000749161 [0,0,0,2,0,0|2,0,0]=4 34637 B13R2.2528 CCC1CCCCN1C2CCC2 270004a_100000210034_100000241760 [0,0,0,2,0,0|2,0,0]=4 34638 B13R2.2528 CCC1CCCCN1C2CCC2 34a_100000210034_100000749161 [0,0,0,2,0,0|2,0,0]=4 34639 B13R2.2528 OCC1CCCCN1C2CCC2 269982a_100000210821_100000749161 [0,0,0,2,0,0|1,0,0]=3 34640 B13R2.2528 OCC1CCCCN1C2CCC2 34a_100000210821_100000749161 [0,0,0,2,0,0|1,0,0]=3 34641 B13R2.2528 OCC1CCCCN1C2COC2 269982a_100000210821_100000687716 [0,0,0,2,0,0|2,0,0]=4 34642 B13R2.2528 OCC1CCCCN1C2COC2 34a_100000210821_100009818527 [0,0,0,2,0,0|2,0,0]=4 34643 B13R2.2528 OC[C@@H]1COCCN1C2CCC2 269982a_100000717676_100000749161 [0,0,0,2,0,0|2,0,0]=4 34644 B13R2.2528 OC[C@@H]1COCCN1C2CCC2 270004a_100000717676_100000241760 [0,0,0,2,0,0|2,0,0]=4 34645 B13R2.2528 OC[C@@H]1COCCN1C2CCC2 34a_100000717676_100000749161 [0,0,0,2,0,0|2,0,0]=4 34646 B13R2.268 CCCC1CCCCN1C2CC2 269982a_100000701414_100000211595 [0,0,0,2,0,0|2,0,0]=4 34647 B13R2.268 CCCC1CCCCN1C2CC2 34a_100000701414_100000211595 [0,0,0,2,0,0|2,0,0]=4 34648 B13R2.268 OCCC1CCCCN1C2CC2 269982a_100000211664_100000211595 [0,0,0,2,0,0|1,0,0]=3 34649 B13R2.268 OCCC1CCCCN1C2CC2 34a_100000211664_100000211595 [0,0,0,2,0,0|1,0,0]=3 34650 B13R2.26 CCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000210303 [0,0,0,2,0,0|2,0,0]=4 34651 B13R2.26 CCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000210303 [0,0,0,2,0,0|2,0,0]=4 34652 B13R2.26 CCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000210303 [0,0,0,2,0,0|2,0,0]=4 34653 B13R2.26 FCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100011217306 [0,0,0,2,0,0|2,0,0]=4 34654 B13R2.26 FCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100011217306 [0,0,0,2,0,0|2,0,0]=4 34655 B13R2.26 FCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100011217306 [0,0,0,2,0,0|2,0,0]=4 34656 B13R2.26 OCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000211926 [0,0,0,2,0,0|1,0,0]=3 34657 B13R2.26 OCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000211926 [0,0,0,2,0,0|1,0,0]=3 34658 B13R2.26 OCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000211926 [0,0,0,2,0,0|1,0,0]=3 34659 B13R2.3160 C1CCCCN(CCC1)C2CC2 269982a_100000039187_100000211595 [0,0,0,2,0,0|2,0,0]=4 34660 B13R2.3160 C1CCCCN(CCC1)C2CC2 34a_100000039187_100000211595 [0,0,0,2,0,0|2,0,0]=4 34661 B13R2.215 CC1CCN1C2CCCCC2F 269982a_100000755817_100015423560 [0,0,0,2,0,0|2,0,0]=4 34662 B13R2.215 CC1CCN1C2CCCCC2F 34a_100000755817_100015423560 [0,0,0,2,0,0|2,0,0]=4 34663 B13R2.215 CC1CCN1C2CCCCC2O 269982a_100000755817_100000038908 [0,0,0,2,0,0|1,0,0]=3 34664 B13R2.215 CC1CCN1C2CCCCC2O 34a_100000755817_100000038908 [0,0,0,2,0,0|1,0,0]=3 34665 B13R2.377 OC1CCCCC1N[C@@H]2C[C@H]2F 34a_100025746932_100000038908 [0,0,0,2,0,0|2,0,0]=4 34666 B13R2.3587 CC1CCCCC1NCC2CC2 2230a_100000211402_100000742324 [0,0,0,2,0,0|2,0,0]=4 34667 B13R2.3587 CC1CCCCC1NCC2CC2 269862a_100000211402_100000741477 [0,0,0,2,0,0|2,0,0]=4 34668 B13R2.3587 CC1CCCCC1NCC2CC2 270004a_100000735609_100000210921 [0,0,0,2,0,0|2,0,0]=4 34669 B13R2.3587 CC1CCCCC1NCC2CC2 34a_100000211402_100000742324 [0,0,0,2,0,0|2,0,0]=4 34670 B13R2.3587 CC1CCCCC1NCC2CO2 2230a_100000211402_100011216344 [0,0,0,2,0,0|1,0,0]=3 34671 B13R2.3587 CC1CCCCC1NCC2CO2 34a_100000211402_102125554688 [0,0,0,2,0,0|1,0,0]=3 34672 B13R2.3587 CC1CCCCC1OCC2CC2 34a_100000211207_100000742324 [0,0,0,2,0,0|2,0,0]=4 34673 B13R2.3587 CC1CCCCC1OCC2CC2 7a_100000211207_100000742324 [0,0,0,2,0,0|2,0,0]=4 34674 B13R2.3587 CC1CCCCC1OCC2CO2 34a_100000211207_102125554688 [0,0,0,2,0,0|1,0,0]=3 34675 B13R2.3587 CC1CCCCC1OCC2CO2 7a_100000211207_102125554688 [0,0,0,2,0,0|1,0,0]=3 34676 B13R2.3587 CC1CCCCC1OCC2CS2 7a_100000211207_100000031435 [0,0,0,2,0,0|1,1,0]=4 34677 B13R2.3587 CC1CCCCC1OC[C@@H]2CO2 7a_100000211207_100000745022 [0,0,0,2,0,0|1,0,0]=3 34678 B13R2.3587 CC1CCCCN1CCC2CC2 2230a_100000211376_100000694398 [0,0,0,2,0,0|2,0,0]=4 34679 B13R2.3587 CC1CCCCN1CCC2CC2 269982a_100000211376_100000694398 [0,0,0,2,0,0|2,0,0]=4 34680 B13R2.3587 CC1CCCCN1CCC2CC2 34a_100000211376_100000694398 [0,0,0,2,0,0|2,0,0]=4 34681 B13R2.3587 CC1CCCCN1CCC2CO2 2230a_100000211376_100000732470 [0,0,0,2,0,0|1,0,0]=3 34682 B13R2.3587 CC1CCCCN1CCC2CO2 269982a_100000211376_100000732470 [0,0,0,2,0,0|1,0,0]=3 34683 B13R2.3587 CC1CCCCN1CCC2CO2 34a_100000211376_100000732470 [0,0,0,2,0,0|1,0,0]=3 34684 B13R2.3587 CC1CCNCC1OCC2CO2 34a_100000696640_102125554688 [0,0,0,2,0,0|2,0,0]=4 34685 B13R2.3587 CC1CNCCC1OCC2CO2 34a_100011998114_102125554688 [0,0,0,2,0,0|2,0,0]=4 34686 B13R2.3587 C[C@H]1COCCN1CCC2CO2 2230a_100009815349_100000732470 [0,0,0,2,0,0|2,0,0]=4 34687 B13R2.3587 C[C@H]1COCCN1CCC2CO2 269982a_100009815349_100000732470 [0,0,0,2,0,0|2,0,0]=4 34688 B13R2.3587 C[C@H]1COCCN1CCC2CO2 34a_100009815349_100000732470 [0,0,0,2,0,0|2,0,0]=4 34689 B13R2.3587 ClC1CCCCC1OCC2CC2 34a_100000038908_100000742324 [0,0,0,2,0,0|2,0,0]=4 34690 B13R2.3587 ClC1CCCCC1OCC2CC2 7a_100000038908_100000742324 [0,0,0,2,0,0|2,0,0]=4 34691 B13R2.3587 ClC1CCCCC1OCC2CO2 34a_100000038908_102125554688 [0,0,0,2,0,0|2,0,0]=4 34692 B13R2.3587 ClC1CCCCC1OCC2CO2 7a_100000038908_102125554688 [0,0,0,2,0,0|2,0,0]=4 34693 B13R2.3587 ClC1CCCCC1OC[C@@H]2CO2 7a_100000038908_100000745022 [0,0,0,2,0,0|2,0,0]=4 34694 B13R2.3587 FC1CCCCC1NCC2CC2 34a_100000735609_100015423560 [0,0,0,2,0,0|2,0,0]=4 34695 B13R2.3587 FC1CCCCC1OCC2CC2 34a_100000211283_100015423560 [0,0,0,2,0,0|2,0,0]=4 34696 B13R2.3587 FC1CCCCC1OC[C@@H]2CO2 34a_100000757423_100015423560 [0,0,0,2,0,0|2,0,0]=4 34697 B13R2.3587 FC1CCCCC1SCC2CC2 62a_100000756562_100015423560 [0,0,0,2,0,0|2,0,0]=4 34698 B13R2.3587 FC1CCCCC1SCC2CC2 62a_100015423560_100000742324 [0,0,0,2,0,0|2,0,0]=4 34699 B13R2.3587 FC1CCCCC1SCC2CO2 62a_100015423560_102125554688 [0,0,0,2,0,0|2,0,0]=4 34700 B13R2.3587 FC1CCCCC1SCC2CO2 62a_102125554688_100015423560 [0,0,0,2,0,0|2,0,0]=4 34701 B13R2.3587 FC1CCCCC1SC[C@@H]2CO2 62a_100000745022_100015423560 [0,0,0,2,0,0|2,0,0]=4 34702 B13R2.3587 FC1CCCCC1SC[C@@H]2CO2 62a_100015423560_100000745022 [0,0,0,2,0,0|2,0,0]=4 34703 B13R2.3587 F[C@@H]1CCCC[C@H]1NCC2CC2 2230a_100015195156_100000742324 [0,0,0,2,0,0|2,0,0]=4 34704 B13R2.3587 F[C@@H]1CCCC[C@H]1NCC2CC2 269862a_100015195156_100000741477 [0,0,0,2,0,0|2,0,0]=4 34705 B13R2.3587 F[C@@H]1CCCC[C@H]1NCC2CC2 34a_100015195156_100000742324 [0,0,0,2,0,0|2,0,0]=4 34706 B13R2.3587 F[C@@H]1CCCC[C@H]1NCC2CO2 2230a_100015195156_100011216344 [0,0,0,2,0,0|2,0,0]=4 34707 B13R2.3587 F[C@@H]1CCCC[C@H]1NCC2CO2 34a_100015195156_102125554688 [0,0,0,2,0,0|2,0,0]=4 34708 B13R2.3587 F[C@@H]1CCCC[C@H]1OCC2CC2 34a_100009816020_100000742324 [0,0,0,2,0,0|2,0,0]=4 34709 B13R2.3587 F[C@@H]1CCCC[C@H]1OCC2CC2 7a_100009816020_100000742324 [0,0,0,2,0,0|2,0,0]=4 34710 B13R2.3587 F[C@@H]1CCCC[C@H]1OCC2CO2 34a_100009816020_102125554688 [0,0,0,2,0,0|2,0,0]=4 34711 B13R2.3587 F[C@@H]1CCCC[C@H]1OCC2CO2 7a_100009816020_102125554688 [0,0,0,2,0,0|2,0,0]=4 34712 B13R2.3587 F[C@@H]1CCCC[C@H]1OC[C@@H]2CO2 7a_100009816020_100000745022 [0,0,0,2,0,0|2,0,0]=4 34713 B13R2.3587 N[C@@H]1CCCC[C@@H]1OCC2CC2 34a_100015191688_100000742324 [0,0,0,2,0,0|2,0,0]=4 34714 B13R2.3587 N[C@@H]1CCCC[C@@H]1OCC2CO2 34a_100015191688_102125554688 [0,0,0,2,0,0|2,0,0]=4 34715 B13R2.3587 OC1CCCCC1CNC2CC2 34a_100011216029_100000211595 [0,0,0,2,0,0|1,0,0]=3 34716 B13R2.3587 OC1CCCCC1NCC2CC2 34a_100000735609_100000038908 [0,0,0,2,0,0|1,0,0]=3 34717 B13R2.3587 OC1CCCCC1OCC2CC2 34a_100000211283_100000038908 [0,0,0,2,0,0|1,0,0]=3 34718 B13R2.3587 OC1CCCCC1OC[C@@H]2CO2 34a_100000757423_100000038908 [0,0,0,2,0,0|2,0,0]=4 34719 B13R2.3587 OC1CCCCC1SCC2CC2 62a_100000038908_100000742324 [0,0,0,2,0,0|1,0,0]=3 34720 B13R2.3587 OC1CCCCC1SCC2CC2 62a_100000756562_100000038908 [0,0,0,2,0,0|1,0,0]=3 34721 B13R2.3587 OC1CCCCC1SCC2CO2 62a_100000038908_102125554688 [0,0,0,2,0,0|2,0,0]=4 34722 B13R2.3587 OC1CCCCC1SCC2CO2 62a_102125554688_100000038908 [0,0,0,2,0,0|2,0,0]=4 34723 B13R2.3587 OC1CCCCC1SCC2CS2 62a_100000031435_100000038908 [0,0,0,2,0,0|2,0,0]=4 34724 B13R2.3587 OC1CCCCC1SCC2CS2 62a_100000038908_100000031435 [0,0,0,2,0,0|2,0,0]=4 34725 B13R2.3587 OC1CCCCC1SC[C@@H]2CO2 62a_100000038908_100000745022 [0,0,0,2,0,0|2,0,0]=4 34726 B13R2.3587 OC1CCCCC1SC[C@@H]2CO2 62a_100000745022_100000038908 [0,0,0,2,0,0|2,0,0]=4 34727 B13R2.3587 O[C@H]1CCCC[C@H]1NCC2CC2 269862a_100015191688_100000741477 [0,0,0,2,0,0|1,0,0]=3 34728 B13R2.3587 O[C@H]1CCOC[C@@H]1NCC2CC2 2230a_100015739063_100000742324 [0,0,0,2,0,0|2,0,0]=4 34729 B13R2.3587 O[C@H]1CCOC[C@@H]1NCC2CC2 269862a_100015739063_100000741477 [0,0,0,2,0,0|2,0,0]=4 34730 B13R2.3587 O[C@H]1COCC[C@H]1NCC2CC2 2230a_100016994285_100000742324 [0,0,0,2,0,0|2,0,0]=4 34731 B13R2.3587 O[C@H]1COCC[C@H]1NCC2CC2 269862a_100016994285_100000741477 [0,0,0,2,0,0|2,0,0]=4 34732 B13R2.5225 CC1CCCCC1NC2CCC2 269862a_100000749019_100000210921 [0,0,0,2,0,0|2,0,0]=4 34733 B13R2.5225 CC1CCCCC1NC2CCC2 270004a_100000211402_100000241760 [0,0,0,2,0,0|2,0,0]=4 34734 B13R2.5225 CC1CCCCC1NC2CCC2 34a_100000211402_100000749161 [0,0,0,2,0,0|2,0,0]=4 34735 B13R2.5225 CC1CCCCC1OC2CCC2 34a_100000211207_100000749161 [0,0,0,2,0,0|2,0,0]=4 34736 B13R2.5225 CC1CCCCN1CC2CCC2 2230a_100000211376_100000763275 [0,0,0,2,0,0|2,0,0]=4 34737 B13R2.5225 CC1CCCCN1CC2CCC2 269982a_100000211376_100000763275 [0,0,0,2,0,0|2,0,0]=4 34738 B13R2.5225 CC1CCCCN1CC2CCC2 34a_100000211376_100000763275 [0,0,0,2,0,0|2,0,0]=4 34739 B13R2.5225 CC1CCCCN1CC2CCO2 2230a_100000211376_100000103362 [0,0,0,2,0,0|1,0,0]=3 34740 B13R2.5225 CC1CCCCN1CC2CCO2 269982a_100000211376_100000103362 [0,0,0,2,0,0|1,0,0]=3 34741 B13R2.5225 CC1CCCCN1CC2CCO2 34a_100000211376_100000103362 [0,0,0,2,0,0|1,0,0]=3 34742 B13R2.5225 C[C@H]1COCCN1CC2CCO2 2230a_100009815349_100000103362 [0,0,0,2,0,0|2,0,0]=4 34743 B13R2.5225 C[C@H]1COCCN1CC2CCO2 269982a_100009815349_100000103362 [0,0,0,2,0,0|2,0,0]=4 34744 B13R2.5225 C[C@H]1COCCN1CC2CCO2 34a_100009815349_100000103362 [0,0,0,2,0,0|2,0,0]=4 34745 B13R2.5225 ClC1CCCCC1OC2CCC2 34a_100000038908_100000749161 [0,0,0,2,0,0|2,0,0]=4 34746 B13R2.5225 FC1CCCCC1NC2CCC2 34a_100000749019_100015423560 [0,0,0,2,0,0|2,0,0]=4 34747 B13R2.5225 FC1CCCCC1OC2CCC2 34a_100000748187_100015423560 [0,0,0,2,0,0|2,0,0]=4 34748 B13R2.5225 FC1CCCCC1SC2CCC2 62a_100015423560_100000749161 [0,0,0,2,0,0|2,0,0]=4 34749 B13R2.5225 F[C@@H]1CCCC[C@H]1NC2CCC2 270004a_100015195156_100000241760 [0,0,0,2,0,0|2,0,0]=4 34750 B13R2.5225 F[C@@H]1CCCC[C@H]1NC2CCC2 34a_100015195156_100000749161 [0,0,0,2,0,0|2,0,0]=4 34751 B13R2.5225 F[C@@H]1CCCC[C@H]1OC2CCC2 34a_100009816020_100000749161 [0,0,0,2,0,0|2,0,0]=4 34752 B13R2.5225 N[C@@H]1CCCC[C@@H]1OC2CCC2 34a_100015191688_100000749161 [0,0,0,2,0,0|2,0,0]=4 34753 B13R2.5225 OC1CCCCC1NC2CCC2 34a_100000749019_100000038908 [0,0,0,2,0,0|1,0,0]=3 34754 B13R2.5225 OC1CCCCC1OC2CCC2 34a_100000748187_100000038908 [0,0,0,2,0,0|1,0,0]=3 34755 B13R2.5225 OC1CCCCC1SC2CCC2 62a_100000038908_100000749161 [0,0,0,2,0,0|1,0,0]=3 34756 B13R2.5225 OC1CCCCC1SC2COC2 62a_100000038908_100009818527 [0,0,0,2,0,0|2,0,0]=4 34757 B13R2.5225 O[C@H]1CCCC[C@H]1NC2CCC2 270004a_100015191688_100000241760 [0,0,0,2,0,0|1,0,0]=3 34758 B13R2.5225 O[C@H]1CCOC[C@@H]1NC2CCC2 270004a_100015739063_100000241760 [0,0,0,2,0,0|2,0,0]=4 34759 B13R2.5225 O[C@H]1COCC[C@H]1NC2CCC2 270004a_100016994285_100000241760 [0,0,0,2,0,0|2,0,0]=4 34760 B13R2.14282 CCCCNC1CCCC2C1C2 269862a_100000102301_100000697651 [0,0,0,2,0,0|2,0,0]=4 34761 B13R2.14282 FCCCNC1CCCC2C1C2 269862a_100015189416_100000697651 [0,0,0,2,0,0|2,0,0]=4 34762 B13R2.14282 OCCCNC1CCCC2C1C2 269862a_100000182051_100000697651 [0,0,0,2,0,0|1,0,0]=3 34763 B13R2.179 CC1CC1COC2COCC2O 34a_100000744939_200000725654 [0,0,0,2,0,0|2,0,0]=4 34764 B13R2.179 CC1CC1COC2COCC2O 7a_100000744939_200000725654 [0,0,0,2,0,0|2,0,0]=4 34765 B13R2.3410 CC1CC1COCCCC2CO2 34a_100000744939_100000733510 [0,0,0,2,0,0|1,0,0]=3 34766 B13R2.3410 CC1CC1COCCCC2CO2 7a_100000744939_100000733510 [0,0,0,2,0,0|1,0,0]=3 34767 B13R2.3443 F[C@@H]1C[C@H]1NC2CCCCCC2 34a_100025746932_100011217769 [0,0,0,2,0,0|2,0,0]=4 34768 B13R2.3152 CC1CCCC1NCC2CCC2 269862a_100000738700_100000752053 [0,0,0,2,0,0|2,0,0]=4 34769 B13R2.3152 CC1CCCC1NC[C@@H]2CCO2 269862a_100020831831_100000752053 [0,0,0,2,0,0|1,0,0]=3 34770 B13R2.3152 CC1CCCC1OCC2CCC2 34a_100011216460_100000763275 [0,0,0,2,0,0|2,0,0]=4 34771 B13R2.3152 CC1CCCC1OCC2CCC2 7a_100011216460_100000763275 [0,0,0,2,0,0|2,0,0]=4 34772 B13R2.3152 CC1CCCC1OCC2CCO2 34a_100011216460_100000103362 [0,0,0,2,0,0|1,0,0]=3 34773 B13R2.3152 CC1CCCC1OCC2CCO2 7a_100011216460_100000103362 [0,0,0,2,0,0|1,0,0]=3 34774 B13R2.3152 CC1OCCC1NC[C@@H]2CCO2 270004a_100020831831_100000691750 [0,0,0,2,0,0|2,0,0]=4 34775 B13R2.3152 C[C@@H]1CNC[C@@H]1OCC2CCO2 34a_200015306588_100000103362 [0,0,0,2,0,0|2,0,0]=4 34776 B13R2.3152 Cl[C@@H]1CCC[C@H]1OCC2CCC2 34a_200016002552_100000763275 [0,0,0,2,0,0|2,0,0]=4 34777 B13R2.3152 Cl[C@@H]1CCC[C@H]1OCC2CCO2 34a_200016002552_100000103362 [0,0,0,2,0,0|2,0,0]=4 34778 B13R2.3152 N[C@H]1CCC[C@@H]1OCC2CCC2 34a_100000748460_100000763275 [0,0,0,2,0,0|2,0,0]=4 34779 B13R2.3152 N[C@H]1CCC[C@@H]1OCC2CCO2 34a_100000748460_100000103362 [0,0,0,2,0,0|2,0,0]=4 34780 B13R2.3152 OC1COCC1NCC2CCC2 34a_100000738700_200000725654 [0,0,0,2,0,0|2,0,0]=4 34781 B13R2.3152 OC1COCC1OCC2CCC2 34a_100000760304_200000725654 [0,0,0,2,0,0|2,0,0]=4 34782 B13R2.3152 OC1COCC1SCC2CCC2 62a_100000763275_200000725654 [0,0,0,2,0,0|2,0,0]=4 34783 B13R2.3152 OC1COCC1SCC2CCC2 62a_200000725654_100000763275 [0,0,0,2,0,0|2,0,0]=4 34784 B13R2.3152 O[C@@H]1CCC[C@H]1SCC2CCC2 62a_100000763275_200016002552 [0,0,0,2,0,0|1,0,0]=3 34785 B13R2.3152 O[C@@H]1CCC[C@H]1SCC2CCC2 62a_200016002552_100000763275 [0,0,0,2,0,0|1,0,0]=3 34786 B13R2.3152 O[C@@H]1CCC[C@H]1SCC2CCO2 62a_100000103362_200016002552 [0,0,0,2,0,0|2,0,0]=4 34787 B13R2.3152 O[C@@H]1CCC[C@H]1SCC2CCO2 62a_200016002552_100000103362 [0,0,0,2,0,0|2,0,0]=4 34788 B13R2.3152 O[C@@H]1CCC[C@H]1SCC2COC2 62a_100010264016_200016002552 [0,0,0,2,0,0|2,0,0]=4 34789 B13R2.3152 O[C@@H]1CCC[C@H]1SCC2COC2 62a_200016002552_100010264016 [0,0,0,2,0,0|2,0,0]=4 34790 B13R2.3152 O[C@H]1CCC[C@@H]1NCC2CCC2 269862a_100000748460_100000753134 [0,0,0,2,0,0|1,0,0]=3 34791 B13R2.3152 O[C@H]1COC[C@@H]1NCC2CCC2 2230a_100015191717_100000763275 [0,0,0,2,0,0|2,0,0]=4 34792 B13R2.3152 O[C@H]1COC[C@@H]1NCC2CCC2 269862a_100015191717_100000753134 [0,0,0,2,0,0|2,0,0]=4 34793 B13R2.3159 C(CC1COC1)OCCC2CO2 34a_100009855314_100000732470 [0,0,0,2,0,0|2,0,0]=4 34794 B13R2.3159 C(CNCC1COC1)CC2CO2 2230a_100015281925_100000733510 [0,0,0,2,0,0|2,0,0]=4 34795 B13R2.3159 C(CNCC1COC1)CC2CO2 34a_100015281925_100000733510 [0,0,0,2,0,0|2,0,0]=4 34796 B13R2.3159 C(CNC[C@@H]1CCO1)CC2CO2 2230a_100020831831_100000733510 [0,0,0,2,0,0|2,0,0]=4 34797 B13R2.3159 C(CNC[C@@H]1CCO1)CC2CO2 34a_100020831831_100000733510 [0,0,0,2,0,0|2,0,0]=4 34798 B13R2.3159 C(COCC1CCO1)CC2CO2 34a_100000039022_100000733510 [0,0,0,2,0,0|2,0,0]=4 34799 B13R2.3159 C(COCC1CCO1)NC2CC2 34a_100000738766_100000103362 [0,0,0,2,0,0|2,0,0]=4 34800 B13R2.3159 C(COCC1CNC1)CC2CO2 34a_100016987283_100000733510 [0,0,0,2,0,0|2,0,0]=4 34801 B13R2.3159 C(COCC1COC1)CC2CO2 34a_100000060846_100000733510 [0,0,0,2,0,0|2,0,0]=4 34802 B13R2.3159 C(CSCC1CCO1)CC2CO2 62a_100000103362_100000733510 [0,0,0,2,0,0|2,0,0]=4 34803 B13R2.3159 C(CSCC1CCO1)CC2CO2 62a_100000733510_100000103362 [0,0,0,2,0,0|2,0,0]=4 34804 B13R2.3159 C(CSCC1COC1)CC2CO2 62a_100000733510_100010264016 [0,0,0,2,0,0|2,0,0]=4 34805 B13R2.3159 C(CSCC1COC1)CC2CO2 62a_100010264016_100000733510 [0,0,0,2,0,0|2,0,0]=4 34806 B13R2.3159 C1CC(C1)CNCCCC2CO2 2230a_100000738700_100000733510 [0,0,0,2,0,0|1,0,0]=3 34807 B13R2.3159 C1CC(C1)CNCCCC2CO2 34a_100000738700_100000733510 [0,0,0,2,0,0|1,0,0]=3 34808 B13R2.3159 C1CC(C1)COCCCC2CO2 34a_100000760304_100000733510 [0,0,0,2,0,0|1,0,0]=3 34809 B13R2.3159 C1CC(C1)CSCCCC2CO2 62a_100000733510_100000763275 [0,0,0,2,0,0|1,0,0]=3 34810 B13R2.3159 C1CC(C1)CSCCCC2CO2 62a_100000763275_100000733510 [0,0,0,2,0,0|1,0,0]=3 34811 B13R2.4213 COCC1CCN1CC2CCO2 2230a_100015195929_100000103362 [0,0,0,2,0,0|2,0,0]=4 34812 B13R2.4213 COCC1CCN1CC2CCO2 269982a_100015195929_100000103362 [0,0,0,2,0,0|2,0,0]=4 34813 B13R2.4213 COCC1CCN1CC2CCO2 34a_100015195929_100000103362 [0,0,0,2,0,0|2,0,0]=4 34814 B13R2.6840 C1CCCC(CC1)CN2CCC2 269982a_100000754969_200000696569 [0,0,0,2,0,0|2,0,0]=4 34815 B13R2.6840 C1CCCC(CC1)NC2CCC2 270004a_100000210984_100000241760 [0,0,0,2,0,0|2,0,0]=4 34816 B13R2.6840 C1CCCC(CC1)NC2CCC2 34a_100000210984_100000749161 [0,0,0,2,0,0|2,0,0]=4 34817 B13R2.6840 C1CCCC(CC1)NC2CCC2 34a_100000749019_100011217769 [0,0,0,2,0,0|2,0,0]=4 34818 B13R2.6840 C1CCCC(CC1)OC2CCC2 34a_100000210887_100000749161 [0,0,0,2,0,0|2,0,0]=4 34819 B13R2.6840 C1CCCC(CC1)OC2CCC2 34a_100000748187_100011217769 [0,0,0,2,0,0|2,0,0]=4 34820 B13R2.6840 C1CCCC(CC1)SC2CCC2 62a_100011217769_100000749161 [0,0,0,2,0,0|2,0,0]=4 34821 B13R2.6840 C1CCCN(CC1)CC2CCC2 2230a_100000185865_100000763275 [0,0,0,2,0,0|2,0,0]=4 34822 B13R2.6840 C1CCCN(CC1)CC2CCC2 269982a_100000185865_100000763275 [0,0,0,2,0,0|2,0,0]=4 34823 B13R2.6840 C1CCCN(CC1)CC2CCC2 34a_100000185865_100000763275 [0,0,0,2,0,0|2,0,0]=4 34824 B13R2.6840 C1CCCN(CC1)CC2CCO2 2230a_100000185865_100000103362 [0,0,0,2,0,0|1,0,0]=3 34825 B13R2.6840 C1CCCN(CC1)CC2CCO2 269982a_100000185865_100000103362 [0,0,0,2,0,0|1,0,0]=3 34826 B13R2.6840 C1CCCN(CC1)CC2CCO2 34a_100000185865_100000103362 [0,0,0,2,0,0|1,0,0]=3 34827 B13R2.6840 C1COCCN(C1)CC2CCO2 2230a_100000685342_100000103362 [0,0,0,2,0,0|2,0,0]=4 34828 B13R2.6840 C1COCCN(C1)CC2CCO2 269982a_100000685342_100000103362 [0,0,0,2,0,0|2,0,0]=4 34829 B13R2.6840 C1COCCN(C1)CC2CCO2 34a_100000685342_100000103362 [0,0,0,2,0,0|2,0,0]=4 34830 B13R2.6844 C1CCCN(CCC1)C2CCC2 269982a_100000211400_100000749161 [0,0,0,2,0,0|2,0,0]=4 34831 B13R2.6844 C1CCCN(CCC1)C2CCC2 270004a_100000211400_100000241760 [0,0,0,2,0,0|2,0,0]=4 34832 B13R2.6844 C1CCCN(CCC1)C2CCC2 34a_100000211400_100000749161 [0,0,0,2,0,0|2,0,0]=4 34833 B13R2.7982 OCCCCN1CCC12COC2 2230a_100015204706_100000210776 [0,0,0,2,0,0|2,0,0]=4 34834 B13R2.7982 OCCCCN1CCC12COC2 269982a_100015204706_100000210776 [0,0,0,2,0,0|2,0,0]=4 34835 B13R2.10588 C(CC1COC1)OCC2CCO2 34a_100009855314_100000103362 [0,0,0,2,0,0|2,0,0]=4 34836 B13R2.281 COC[C@@H]1CCCN1CC2CO2 2230a_100020646714_100011216344 [0,0,0,2,0,0|2,0,0]=4 34837 B13R2.281 COC[C@@H]1CCCN1CC2CO2 269982a_100020646714_102125554688 [0,0,0,2,0,0|2,0,0]=4 34838 B13R2.281 COC[C@@H]1CCCN1CC2CO2 34a_100020646714_102125554688 [0,0,0,2,0,0|2,0,0]=4 34839 B13R2.281 COC[C@@H]1CCCN1C[C@@H]2CO2 269982a_100020646714_100000745022 [0,0,0,2,0,0|2,0,0]=4 34840 B13R2.515 CN1C[C@@H]2C[C@H]1CN2CCCO 2230a_100025763010_100000230001 [0,0,0,2,0,0|2,0,0]=4 34841 B13R2.515 CN1C[C@@H]2C[C@H]1CN2CCCO 269982a_100025763010_100011215043 [0,0,0,2,0,0|2,0,0]=4 34842 B13R2.2441 CCCCN1CCCC1C2CC2 2230a_200000757794_100000210211 [0,0,0,2,0,0|2,0,0]=4 34843 B13R2.2441 CCCCN1CCCC1C2CC2 269982a_200000757794_100000210211 [0,0,0,2,0,0|2,0,0]=4 34844 B13R2.2441 CCCCN1CCCC1C2CC2 34a_200000757794_100000210210 [0,0,0,2,0,0|2,0,0]=4 34845 B13R2.2441 FCCCN1CCCC1C2CC2 2230a_200000757794_100011934791 [0,0,0,2,0,0|2,0,0]=4 34846 B13R2.2441 FCCCN1CCCC1C2CC2 269982a_200000757794_100011934791 [0,0,0,2,0,0|2,0,0]=4 34847 B13R2.2441 FCCCN1CCCC1C2CC2 34a_200000757794_100011934791 [0,0,0,2,0,0|2,0,0]=4 34848 B13R2.2441 OCCCN1CCCC1C2CC2 2230a_200000757794_100000230001 [0,0,0,2,0,0|1,0,0]=3 34849 B13R2.2441 OCCCN1CCCC1C2CC2 269982a_200000757794_100011215043 [0,0,0,2,0,0|1,0,0]=3 34850 B13R2.2441 OCCCN1CCCC1C2CC2 34a_200000757794_100000230001 [0,0,0,2,0,0|1,0,0]=3 34851 B13R2.8173 CCNCC12CCCC1CCC2 2230a_100159271432_100000210202 [0,0,0,2,0,0|2,0,0]=4 34852 B13R2.8173 CCNCC12CCCC1CCC2 34a_100159271432_100000210202 [0,0,0,2,0,0|2,0,0]=4 34853 B13R2.8173 FCNCC12CCCC1CCC2 34a_100159271432_100015361967 [0,0,0,2,0,0|2,0,0]=4 34854 B13R2.164 CCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210211 [0,0,0,2,0,0|2,0,0]=4 34855 B13R2.164 CCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000210211 [0,0,0,2,0,0|2,0,0]=4 34856 B13R2.164 CCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210210 [0,0,0,2,0,0|2,0,0]=4 34857 B13R2.164 FCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100011934791 [0,0,0,2,0,0|2,0,0]=4 34858 B13R2.164 FCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100011934791 [0,0,0,2,0,0|2,0,0]=4 34859 B13R2.164 FCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100011934791 [0,0,0,2,0,0|2,0,0]=4 34860 B13R2.164 OCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000230001 [0,0,0,2,0,0|1,0,0]=3 34861 B13R2.164 OCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100011215043 [0,0,0,2,0,0|1,0,0]=3 34862 B13R2.164 OCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000230001 [0,0,0,2,0,0|1,0,0]=3 34863 B13R2.164 OCCCN1C[C@H]2COC[C@H]2C1 2230a_100000700037_100000230001 [0,0,0,2,0,0|2,0,0]=4 34864 B13R2.164 OCCCN1C[C@H]2COC[C@H]2C1 269982a_100000700037_100011215043 [0,0,0,2,0,0|2,0,0]=4 34865 B13R2.164 OCCCN1C[C@H]2COC[C@H]2C1 34a_100000700037_100000230001 [0,0,0,2,0,0|2,0,0]=4 34866 B13R2.6839 C1CCCC(CCC1)NC2CC2 34a_100000211152_100000211595 [0,0,0,2,0,0|2,0,0]=4 34867 B13R2.6839 C1CCCC(CCC1)OC2CC2 34a_100000210054_100000211595 [0,0,0,2,0,0|2,0,0]=4 34868 B13R2.6839 C1CCCN(CCC1)CC2CC2 2230a_100000211400_100000742324 [0,0,0,2,0,0|2,0,0]=4 34869 B13R2.6839 C1CCCN(CCC1)CC2CC2 269982a_100000211400_100000756562 [0,0,0,2,0,0|2,0,0]=4 34870 B13R2.6839 C1CCCN(CCC1)CC2CC2 34a_100000211400_100000742324 [0,0,0,2,0,0|2,0,0]=4 34871 B13R2.6839 C1CCCN(CCC1)CC2CO2 2230a_100000211400_100011216344 [0,0,0,2,0,0|1,0,0]=3 34872 B13R2.6839 C1CCCN(CCC1)CC2CO2 269982a_100000211400_102125554688 [0,0,0,2,0,0|1,0,0]=3 34873 B13R2.6839 C1CCCN(CCC1)CC2CO2 34a_100000211400_102125554688 [0,0,0,2,0,0|1,0,0]=3 34874 B13R2.6839 C1CCCN(CCC1)CC2CS2 269982a_100000211400_100000031435 [0,0,0,2,0,0|1,1,0]=4 34875 B13R2.6839 C1CCCN(CCC1)C[C@@H]2CO2 269982a_100000211400_100000745022 [0,0,0,2,0,0|1,0,0]=3 34876 B13R2.181 CC1SCCN1[C@@H]2CCC[C@H]2O 269982a_200011216479_200016002552 [0,0,0,2,0,0|2,0,0]=4 34877 B13R2.181 C[C@@H]1CCCN1C2COCC2O 34a_100015189458_200000725654 [0,0,0,2,0,0|2,0,0]=4 34878 B13R2.181 C[C@@H]1CCCN1[C@@H]2CCC[C@H]2O 269982a_100015189458_200016002552 [0,0,0,2,0,0|1,0,0]=3 34879 B13R2.181 C[C@H]1CCCN1[C@@H]2CCC[C@H]2O 269982a_100020605311_200016002552 [0,0,0,2,0,0|1,0,0]=3 34880 B13R2.3140 CC1CCCC1NCCC2CC2 269862a_100000764129_100000752053 [0,0,0,2,0,0|2,0,0]=4 34881 B13R2.3140 CC1CCCC1OCCC2CC2 34a_100011216460_100000694398 [0,0,0,2,0,0|2,0,0]=4 34882 B13R2.3140 CC1CCCC1OCCC2CC2 7a_100011216460_100000764125 [0,0,0,2,0,0|2,0,0]=4 34883 B13R2.3140 CC1CCCC1OCCC2CO2 34a_100011216460_100000732470 [0,0,0,2,0,0|1,0,0]=3 34884 B13R2.3140 CC1CCCC1OCCC2CO2 7a_100011216460_100000732470 [0,0,0,2,0,0|1,0,0]=3 34885 B13R2.3140 CC1SCCN1CCCC2CO2 2230a_200011216479_100000733510 [0,0,0,2,0,0|2,0,0]=4 34886 B13R2.3140 CC1SCCN1CCCC2CO2 269982a_200011216479_100000733510 [0,0,0,2,0,0|2,0,0]=4 34887 B13R2.3140 CC1SCCN1CCCC2CO2 34a_200011216479_100000733510 [0,0,0,2,0,0|2,0,0]=4 34888 B13R2.3140 CN1CCCC1COCC2CO2 34a_100000743107_102125554688 [0,0,0,2,0,0|2,0,0]=4 34889 B13R2.3140 C[C@@H]1CCCN1CCCC2CO2 2230a_100015189458_100000733510 [0,0,0,2,0,0|1,0,0]=3 34890 B13R2.3140 C[C@@H]1CCCN1CCCC2CO2 269982a_100015189458_100000733510 [0,0,0,2,0,0|1,0,0]=3 34891 B13R2.3140 C[C@@H]1CCCN1CCCC2CO2 34a_100015189458_100000733510 [0,0,0,2,0,0|1,0,0]=3 34892 B13R2.3140 C[C@@H]1CNC[C@@H]1OCCC2CO2 34a_200015306588_100000732470 [0,0,0,2,0,0|2,0,0]=4 34893 B13R2.3140 C[C@H]1CCCN1CCCC2CO2 2230a_100020605311_100000733510 [0,0,0,2,0,0|1,0,0]=3 34894 B13R2.3140 C[C@H]1CCCN1CCCC2CO2 269982a_100020605311_100000733510 [0,0,0,2,0,0|1,0,0]=3 34895 B13R2.3140 Cl[C@@H]1CCC[C@H]1OCCC2CC2 34a_200016002552_100000694398 [0,0,0,2,0,0|2,0,0]=4 34896 B13R2.3140 Cl[C@@H]1CCC[C@H]1OCCC2CO2 34a_200016002552_100000732470 [0,0,0,2,0,0|2,0,0]=4 34897 B13R2.3140 N[C@H]1CCC[C@@H]1OCCC2CC2 34a_100000748460_100000694398 [0,0,0,2,0,0|2,0,0]=4 34898 B13R2.3140 N[C@H]1CCC[C@@H]1OCCC2CO2 34a_100000748460_100000732470 [0,0,0,2,0,0|2,0,0]=4 34899 B13R2.3140 OC1COCC1NCCC2CC2 34a_100000764129_200000725654 [0,0,0,2,0,0|2,0,0]=4 34900 B13R2.3140 OC1COCC1OCCC2CC2 34a_100000754188_200000725654 [0,0,0,2,0,0|2,0,0]=4 34901 B13R2.3140 OC1COCC1OCCC2CC2 7a_100000754188_200000725654 [0,0,0,2,0,0|2,0,0]=4 34902 B13R2.3140 OC1COCC1SCCC2CC2 62a_100000764125_200000725654 [0,0,0,2,0,0|2,0,0]=4 34903 B13R2.3140 OC1COCC1SCCC2CC2 62a_200000725654_100000764125 [0,0,0,2,0,0|2,0,0]=4 34904 B13R2.3140 O[C@@H]1CCC[C@H]1SCCC2CC2 62a_100000764125_200016002552 [0,0,0,2,0,0|1,0,0]=3 34905 B13R2.3140 O[C@@H]1CCC[C@H]1SCCC2CC2 62a_200016002552_100000764125 [0,0,0,2,0,0|1,0,0]=3 34906 B13R2.3140 O[C@@H]1CCC[C@H]1SCCC2CO2 62a_100000732470_200016002552 [0,0,0,2,0,0|2,0,0]=4 34907 B13R2.3140 O[C@@H]1CCC[C@H]1SCCC2CO2 62a_200016002552_100000732470 [0,0,0,2,0,0|2,0,0]=4 34908 B13R2.3140 O[C@H]1COC[C@@H]1NCCC2CC2 2230a_100015191717_100000694398 [0,0,0,2,0,0|2,0,0]=4 34909 B13R2.741 COCC1CCN1CCC2CO2 2230a_100015195929_100000732470 [0,0,0,2,0,0|2,0,0]=4 34910 B13R2.741 COCC1CCN1CCC2CO2 269982a_100015195929_100000732470 [0,0,0,2,0,0|2,0,0]=4 34911 B13R2.741 COCC1CCN1CCC2CO2 34a_100015195929_100000732470 [0,0,0,2,0,0|2,0,0]=4 34912 B13R2.2290 C(CNCCC1CC1)CC2CO2 34a_100000764129_100000733510 [0,0,0,2,0,0|1,0,0]=3 34913 B13R2.2290 C(COCCC1CC1)CC2CO2 34a_100000754188_100000733510 [0,0,0,2,0,0|1,0,0]=3 34914 B13R2.2290 C(COCCC1CC1)CC2CO2 7a_100000754188_100000733510 [0,0,0,2,0,0|1,0,0]=3 34915 B13R2.2290 C(COCCC1CO1)NC2CC2 34a_100000738766_100000732470 [0,0,0,2,0,0|2,0,0]=4 34916 B13R2.2290 C(COCC[C@@H]1CO1)CC2CO2 34a_100009820653_100000733510 [0,0,0,2,0,0|2,0,0]=4 34917 B13R2.2290 C(CSCCC1CC1)CC2CO2 62a_100000733510_100000764125 [0,0,0,2,0,0|1,0,0]=3 34918 B13R2.2290 C(CSCCC1CC1)CC2CO2 62a_100000764125_100000733510 [0,0,0,2,0,0|1,0,0]=3 34919 B13R2.2290 C(CSCCC1CO1)CC2CO2 62a_100000732470_100000733510 [0,0,0,2,0,0|2,0,0]=4 34920 B13R2.2290 C(CSCCC1CO1)CC2CO2 62a_100000733510_100000732470 [0,0,0,2,0,0|2,0,0]=4 34921 B13R2.6841 C1CCCC(CC1)CNC2CC2 34a_100000212008_200000696569 [0,0,0,2,0,0|2,0,0]=4 34922 B13R2.6841 C1CCCC(CC1)CNC2CC2 34a_100015204231_100000211595 [0,0,0,2,0,0|2,0,0]=4 34923 B13R2.6841 C1CCCC(CC1)COC2CC2 34a_100000699130_100000211595 [0,0,0,2,0,0|2,0,0]=4 34924 B13R2.6841 C1CCCC(CC1)CSC2CC2 62a_200000696569_100000211595 [0,0,0,2,0,0|2,0,0]=4 34925 B13R2.6841 C1CCCC(CC1)NCC2CC2 2230a_100000210984_100000742324 [0,0,0,2,0,0|2,0,0]=4 34926 B13R2.6841 C1CCCC(CC1)NCC2CC2 269862a_100000210984_100000741477 [0,0,0,2,0,0|2,0,0]=4 34927 B13R2.6841 C1CCCC(CC1)NCC2CC2 270004a_100000735609_100000210131 [0,0,0,2,0,0|2,0,0]=4 34928 B13R2.6841 C1CCCC(CC1)NCC2CC2 34a_100000210984_100000742324 [0,0,0,2,0,0|2,0,0]=4 34929 B13R2.6841 C1CCCC(CC1)NCC2CC2 34a_100000735609_100011217769 [0,0,0,2,0,0|2,0,0]=4 34930 B13R2.6841 C1CCCC(CC1)NCC2CO2 2230a_100000210984_100011216344 [0,0,0,2,0,0|1,0,0]=3 34931 B13R2.6841 C1CCCC(CC1)NCC2CO2 34a_100000210984_102125554688 [0,0,0,2,0,0|1,0,0]=3 34932 B13R2.6841 C1CCCC(CC1)OCC2CC2 34a_100000210887_100000742324 [0,0,0,2,0,0|2,0,0]=4 34933 B13R2.6841 C1CCCC(CC1)OCC2CC2 34a_100000211283_100011217769 [0,0,0,2,0,0|2,0,0]=4 34934 B13R2.6841 C1CCCC(CC1)OCC2CC2 7a_100000210887_100000742324 [0,0,0,2,0,0|2,0,0]=4 34935 B13R2.6841 C1CCCC(CC1)OCC2CO2 34a_100000210887_102125554688 [0,0,0,2,0,0|1,0,0]=3 34936 B13R2.6841 C1CCCC(CC1)OCC2CO2 7a_100000210887_102125554688 [0,0,0,2,0,0|1,0,0]=3 34937 B13R2.6841 C1CCCC(CC1)OCC2CS2 7a_100000210887_100000031435 [0,0,0,2,0,0|1,1,0]=4 34938 B13R2.6841 C1CCCC(CC1)OC[C@@H]2CO2 34a_100000757423_100011217769 [0,0,0,2,0,0|1,0,0]=3 34939 B13R2.6841 C1CCCC(CC1)OC[C@@H]2CO2 7a_100000210887_100000745022 [0,0,0,2,0,0|1,0,0]=3 34940 B13R2.6841 C1CCCC(CC1)SCC2CC2 62a_100000756562_100011217769 [0,0,0,2,0,0|2,0,0]=4 34941 B13R2.6841 C1CCCC(CC1)SCC2CC2 62a_100011217769_100000742324 [0,0,0,2,0,0|2,0,0]=4 34942 B13R2.6841 C1CCCC(CC1)SCC2CO2 62a_100011217769_102125554688 [0,0,0,2,0,0|1,0,0]=3 34943 B13R2.6841 C1CCCC(CC1)SCC2CO2 62a_102125554688_100011217769 [0,0,0,2,0,0|1,0,0]=3 34944 B13R2.6841 C1CCCC(CC1)SCC2CS2 62a_100000031435_100011217769 [0,0,0,2,0,0|1,1,0]=4 34945 B13R2.6841 C1CCCC(CC1)SCC2CS2 62a_100011217769_100000031435 [0,0,0,2,0,0|1,1,0]=4 34946 B13R2.6841 C1CCCC(CC1)SC[C@@H]2CO2 62a_100000745022_100011217769 [0,0,0,2,0,0|1,0,0]=3 34947 B13R2.6841 C1CCCC(CC1)SC[C@@H]2CO2 62a_100011217769_100000745022 [0,0,0,2,0,0|1,0,0]=3 34948 B13R2.6841 C1CCCN(CC1)CCC2CC2 2230a_100000185865_100000694398 [0,0,0,2,0,0|2,0,0]=4 34949 B13R2.6841 C1CCCN(CC1)CCC2CC2 269982a_100000185865_100000694398 [0,0,0,2,0,0|2,0,0]=4 34950 B13R2.6841 C1CCCN(CC1)CCC2CC2 34a_100000185865_100000694398 [0,0,0,2,0,0|2,0,0]=4 34951 B13R2.6841 C1CCCN(CC1)CCC2CO2 2230a_100000185865_100000732470 [0,0,0,2,0,0|1,0,0]=3 34952 B13R2.6841 C1CCCN(CC1)CCC2CO2 269982a_100000185865_100000732470 [0,0,0,2,0,0|1,0,0]=3 34953 B13R2.6841 C1CCCN(CC1)CCC2CO2 34a_100000185865_100000732470 [0,0,0,2,0,0|1,0,0]=3 34954 B13R2.6841 C1COCCN(C1)CCC2CO2 2230a_100000685342_100000732470 [0,0,0,2,0,0|2,0,0]=4 34955 B13R2.6841 C1COCCN(C1)CCC2CO2 269982a_100000685342_100000732470 [0,0,0,2,0,0|2,0,0]=4 34956 B13R2.6841 C1COCCN(C1)CCC2CO2 34a_100000685342_100000732470 [0,0,0,2,0,0|2,0,0]=4 34957 B13R2.4880 CC1CCN1C2CCCCCC2 269982a_100000755817_100011217769 [0,0,0,2,0,0|2,0,0]=4 34958 B13R2.4880 CC1CCN1C2CCCCCC2 34a_100000755817_100011217769 [0,0,0,2,0,0|2,0,0]=4