0 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.4 C#CCCCCNCF 34a_100000706060_100015361967 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.4 C#CCCCCOCF 34a_100000766709_100015361967 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.4 C#CCCCCOCF 7a_100000766709_100015361967 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.4 C#CCCCCSCF 62a_100010269958_100015361967 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.4 C#CCCCCSCF 62a_100015361967_100010269958 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.4 C#CCCCNCCF 34a_100000718082_100011217306 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.4 C#CCCCNCCF 34a_100000724931_100000695029 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.4 C#CCCCNCSC 34a_100000718082_100011218213 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.4 C#CCCCOCCBr 34a_100000211926_100000695029 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [0,0,0,0,0,0|2,0,1]=3 35 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.4 C#CCCCOCCF 34a_100000215630_100011217306 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.4 C#CCCCOCCF 7a_100000215630_100011217306 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.4 C#CCCCOCCN 34a_100000210304_100000695029 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [0,0,0,0,0,0|1,0,2]=3 40 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [0,0,0,0,0,0|1,0,2]=3 41 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.4 C#CCCCSCCF 62a_100011215417_100011217306 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.4 C#CCCCSCCF 62a_100011217306_100011215417 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,0,0,0,0,0|1,0,2]=3 47 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,0,0,0,0,0|1,0,2]=3 48 B8R0.4 C#CCCCSCOC 62a_100000766300_100011215417 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.4 C#CCCCSCOC 62a_100011215417_100000766300 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.4 C#CCCNCCCF 2230a_100015189416_100000688953 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.4 C#CCCNCCCF 34a_100000755551_100011934791 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.4 C#CCCNCCCF 34a_100015189416_100000688953 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [0,0,0,0,0,0|1,0,2]=3 59 B8R0.4 C#CCCNCCOC 2230a_100000209980_100000688953 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.4 C#CCCNCCOC 34a_100000755551_100011201679 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.4 C#CCCOCCCBr 34a_100011217188_100000688953 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.4 C#CCCOCCCCl 34a_100000230001_100000688953 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.4 C#CCCOCCCF 34a_100000759539_100000688953 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.4 C#CCCOCCCF 34a_100011215631_100011934791 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.4 C#CCCOCCCN 34a_100000182051_100000688953 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [0,0,0,0,0,0|1,0,2]=3 72 B8R0.4 C#CCCOCCOC 34a_100000210237_100000688953 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.4 C#CCCOCCOC 34a_100011215631_100011201679 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,0,0,0,0,0|2,0,1]=3 78 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,0,0,0,0,0|2,0,1]=3 79 B8R0.4 C#CCCSCCCF 62a_100000688953_100011934791 [0,0,0,0,0,0|2,0,2]=4 80 B8R0.4 C#CCCSCCCF 62a_100011934791_100000688953 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,0,0,0,0,0|1,0,2]=3 82 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,0,0,0,0,0|1,0,2]=3 83 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.4 C#CCCSCOCC 62a_100000688953_100000739092 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.4 C#CCCSCOCC 62a_100000739092_100000688953 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [0,0,0,0,0,0|2,0,1]=3 90 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [0,0,0,0,0,0|2,0,1]=3 91 B8R0.4 C#CCNCCCCF 34a_100000212058_100000729493 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [0,0,0,0,0,0|1,0,2]=3 93 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [0,0,0,0,0,0|1,0,2]=3 94 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [0,0,0,0,0,0|1,0,2]=3 95 B8R0.4 C#CCNCCCOC 34a_100000212058_100000740836 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.4 C#CCNCCCOC 34a_100150723488_100000184674 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.4 C#CCNCCCSC 2230a_100000749238_100000038162 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.4 C#CCNCCOCC 2230a_102516460346_100000038162 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.4 C#CCNCCOCC 34a_100000212058_100000210147 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.4 C#CCNCCOCC 34a_102516460346_100000184674 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.4 C#CCNCCSCC 2230a_100000106463_100000038162 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.4 C#CCNCCSCC 34a_100000212058_100000757381 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.4 C#CCOCCCCBr 34a_100011216708_100000184674 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [0,0,0,0,0,0|2,0,1]=3 105 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [0,0,0,0,0,0|2,0,1]=3 106 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.4 C#CCOCCCCCl 34a_100000210776_100000184674 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.4 C#CCOCCCCCl 7a_100000210776_100000038162 [0,0,0,0,0,0|2,0,2]=4 109 B8R0.4 C#CCOCCCCF 34a_100000210247_100000729493 [0,0,0,0,0,0|2,0,2]=4 110 B8R0.4 C#CCOCCCCF 34a_100011995726_100000184674 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.4 C#CCOCCCCF 7a_100011995726_100000038162 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.4 C#CCOCCCCI 34a_200012148704_100000184674 [0,0,0,0,0,0|2,0,2]=4 113 B8R0.4 C#CCOCCCCN 34a_100000750430_100000184674 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [0,0,0,0,0,0|1,0,2]=3 115 B8R0.4 C#CCOCCCNC 34a_100000213112_100000184674 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.4 C#CCOCCCOC 34a_100000210247_100000740836 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.4 C#CCOCCCOC 34a_100000740835_100000184674 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.4 C#CCOCCNCC 2230a_100000700922_100000210202 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.4 C#CCOCCNCC 2230a_100015525214_100010402529 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.4 C#CCOCCNCC 34a_100000700922_100000210202 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.4 C#CCOCCOCC 34a_100000054580_100000210202 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.4 C#CCOCCOCC 34a_100000210136_100000184674 [0,0,0,0,0,0|3,0,1]=4 125 B8R0.4 C#CCOCCOCC 34a_100000210247_100000210147 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.4 C#CCOCCOCC 34a_100121572206_100010402529 [0,0,0,0,0,0|3,0,1]=4 127 B8R0.4 C#CCOCCOCC 7a_100000054580_100000210202 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.4 C#CCOCCOCC 7a_100000210136_100000038162 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.4 C#CCOCCSCC 34a_100000210247_100000757381 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.4 C#CCOCCSCC 34a_100000212035_100000184674 [0,0,0,0,0,0|3,0,1]=4 131 B8R0.4 C#CCOCCSCC 62a_100000210202_100010402529 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.4 C#CCOCCSCC 62a_100010402529_100000210202 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.4 C#CCOCCSCC 7a_100000212035_100000038162 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,0,0,0,0,0|2,0,1]=3 135 B8R0.4 C#CCSCCCCF 62a_100000038162_100000729493 [0,0,0,0,0,0|2,0,2]=4 136 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,0,0,0,0,0|1,0,2]=3 137 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.4 C#CCSCCOCC 62a_100000038162_100011215890 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.4 C#CCSCCSCC 62a_100000038162_100000757381 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,0,0,0,0,0|2,0,2]=4 141 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [0,0,0,0,0,0|2,0,2]=4 142 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,0,0,0,0,0|1,0,2]=3 143 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,0,0,0,0|2,0,2]=4 144 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [0,0,0,0,0,0|1,0,2]=3 154 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,0,0,0,0,0|1,0,2]=3 159 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,0,0,0,0,0|1,0,2]=3 160 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,0,0,0,0,0|2,0,1]=3 161 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,0,0,0,0,0|2,0,1]=3 162 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,0,0,0,0,0|2,0,1]=3 163 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,0,0,0,0,0|2,0,1]=3 164 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,0,0,0,0,0|2,0,1]=3 165 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,0,0,0,0,0|2,0,1]=3 166 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,0,0,0,0,0|2,0,1]=3 167 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,0,0,0,0,0|2,0,1]=3 168 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,0,0,0,0,0|2,0,1]=3 169 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,0,0,0,0,0|2,0,1]=3 170 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,0,0,0,0,0|2,0,1]=3 171 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,0,0,0,0,0|2,0,1]=3 172 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,0,0,0,0,0|2,0,1]=3 173 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,0,0,0,0,0|2,0,1]=3 174 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,0,0,0,0,0|2,0,1]=3 177 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,0,0,0,0,0|2,0,1]=3 178 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,0,0,0,0,0|2,0,1]=3 179 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,0,0,0,0,0|2,0,1]=3 182 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,0,0,0,0,0|2,0,1]=3 183 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,0,0,0,0,0|2,0,1]=3 186 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,0,0,0,0,0|2,0,1]=3 187 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,0,0,0,0,0|2,0,2]=4 188 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,0,0,0,0,0|1,0,2]=3 191 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,0,0,0,0,0|1,0,2]=3 192 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,0,0,0,0,0|1,0,2]=3 193 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,0,0,0,0,0|1,0,2]=3 194 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,0,0,0,0,0|3,0,1]=4 195 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,0,0,0,0,0|3,0,1]=4 196 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,0,0,0,0,0|2,0,2]=4 198 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,0,0,0,0,0|2,0,1]=3 199 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,0,0,0,0,0|2,0,1]=3 200 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,0,0,0,0,0|2,0,1]=3 201 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,0,0,0,0,0|2,0,2]=4 202 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,0,0,0,0,0|2,0,2]=4 203 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,0,0,0,0,0|2,0,2]=4 204 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,0,0,0,0,0|1,0,2]=3 205 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,0,0,0,0,0|1,0,2]=3 206 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,0,0,0,0,0|2,0,1]=3 208 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,0,0,0,0,0|2,0,1]=3 209 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,0,0,0,0,0|2,0,2]=4 210 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,0,0,0,0,0|2,0,2]=4 211 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,0,0,0,0,0|1,0,2]=3 212 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,0,0,0,0,0|1,0,2]=3 213 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,0,0,0,0,0|3,0,1]=4 214 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,0,0,0,0,0|3,0,1]=4 215 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,0,0,0,0,0|2,0,1]=3 218 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,0,0,0,0,0|2,0,1]=3 219 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,0,0,0,0,0|2,0,1]=3 220 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,0,0,0,0,0|2,0,2]=4 221 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,0,0,0,0,0|2,0,2]=4 222 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,0,0,0,0,0|2,0,2]=4 223 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,0,0,0,0,0|1,0,2]=3 224 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,0,0,0,0,0|2,0,2]=4 229 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,0,0,0,0,0|2,0,1]=3 230 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,0,0,0,0,0|2,0,1]=3 231 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,0,0,0,0,0|2,0,1]=3 232 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,0,0,0,0,0|2,0,2]=4 233 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,0,0,0,0,0|2,0,2]=4 234 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,0,0,0,0,0|2,0,2]=4 235 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,0,0,0,0,0|2,0,2]=4 236 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,0,0,0,0,0|1,0,2]=3 237 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,0,0,0,0,0|3,0,1]=4 239 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,0,0,0,0,0|3,0,1]=4 240 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,0,0,0,0,0|3,0,1]=4 241 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,0,0,0,0|2,0,1]=3 243 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,0,0,0,0|2,0,1]=3 244 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,0,0,0,0,0|2,0,2]=4 245 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,0,0,0,0,0|2,0,2]=4 246 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,0,0,0,0,0|1,0,2]=3 247 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,0,0,0,0,0|1,0,2]=3 248 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,0,0,0,0,0|3,0,1]=4 254 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,0,0,0,0,0|2,0,1]=3 255 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,0,0,0,0,0|2,0,1]=3 256 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,0,0,0,0,0|2,0,2]=4 257 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,0,0,0,0,0|1,0,2]=3 258 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,0,0,0,0,0|1,0,2]=3 259 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,0,0,0,0,0|1,0,2]=3 260 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,0,0,0,0,0|3,0,1]=4 261 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,0,0,0,0,0|3,0,1]=4 262 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,0,0,0,0,0|3,0,1]=4 263 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,0,0,0,0,0|3,0,1]=4 264 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,0,0,0,0,0|3,0,1]=4 265 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,0,0,0,0,0|3,0,1]=4 266 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,0,0,0,0,0|3,0,1]=4 267 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,0,0,0,0,0|3,0,1]=4 268 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,0,0,0,0,0|2,0,2]=4 269 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,0,0,0,0|2,0,1]=3 270 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,0,0,0,0|2,0,1]=3 271 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,0,0,0,0|2,0,1]=3 272 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,0,0,0,0,0|2,0,2]=4 273 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,0,0,0,0,0|2,0,2]=4 274 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,0,0,0,0,0|2,0,2]=4 275 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,0,0,0,0,0|2,0,2]=4 276 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,0,0,0,0,0|2,0,2]=4 277 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,0,0,0,0,0|2,0,2]=4 278 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,0,0,0,0,0|2,0,2]=4 279 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,0,0,0,0,0|1,0,2]=3 280 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,0,0,0,0,0|3,0,1]=4 282 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,0,0,0,0,0|3,0,1]=4 283 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,0,0,0,0,0|3,0,1]=4 284 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,0,0,0,0,0|3,0,1]=4 285 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,0,0,0,0,0|3,0,1]=4 286 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,0,0,0,0,0|3,0,1]=4 287 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,0,0,0,0,0|3,0,1]=4 288 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,0,0,0,0,0|3,0,1]=4 289 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,0,0,0,0,0|3,0,1]=4 290 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,0,0,0,0,0|3,0,1]=4 291 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,0,0,0,0,0|3,0,1]=4 292 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,0,0,0,0,0|3,0,1]=4 293 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,0,0,0,0|2,0,1]=3 294 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,0,0,0,0|2,0,1]=3 295 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,0,0,0,0,0|2,0,2]=4 296 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,0,0,0,0,0|2,0,2]=4 297 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,0,0,0,0,0|1,0,2]=3 298 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,0,0,0,0,0|1,0,2]=3 299 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,0,0,0,0,0|3,0,1]=4 300 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,0,0,0,0,0|3,0,1]=4 301 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,0,0,0,0,0|3,0,1]=4 302 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,0,0,0,0,0|3,0,1]=4 303 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,0,0,0,0,0|3,0,1]=4 304 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,0,0,0,0,0|3,0,1]=4 305 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,0,0,0,0,0|3,0,1]=4 306 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,0,0,0,0,0|3,0,1]=4 309 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,0,0,0,0,0|3,0,1]=4 310 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,0,0,0,0,0|3,0,1]=4 311 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,0,0,0,0,0|2,0,2]=4 312 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,0,0,0,0,0|2,0,2]=4 313 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,0,0,0,0,0|3,0,1]=4 315 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [0,0,0,0,0,0|2,0,2]=4 316 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,0,0,0,0,0|3,0,1]=4 317 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,0,0,0,0,0|3,0,1]=4 318 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,0,0,0,0,0|2,0,2]=4 319 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,0,0,0,0,0|2,0,2]=4 320 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [0,0,0,0,0,0|2,0,2]=4 321 B8R0.4 CC#CCCOCCF 34a_100000750427_100011217306 [0,0,0,0,0,0|2,0,2]=4 322 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [0,0,0,0,0,0|1,0,2]=3 323 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [0,0,0,0,0,0|2,0,2]=4 324 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [0,0,0,0,0,0|2,0,2]=4 325 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [0,0,0,0,0,0|2,0,2]=4 326 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [0,0,0,0,0,0|2,0,2]=4 327 B8R0.4 CC#CCNCCCF 2230a_100000685387_100011934791 [0,0,0,0,0,0|2,0,2]=4 328 B8R0.4 CC#CCNCCCF 2230a_100015189416_100000748600 [0,0,0,0,0,0|2,0,2]=4 329 B8R0.4 CC#CCNCCCF 34a_100000685387_100011934791 [0,0,0,0,0,0|2,0,2]=4 330 B8R0.4 CC#CCNCCCF 34a_100015189416_100000748600 [0,0,0,0,0,0|2,0,2]=4 331 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [0,0,0,0,0,0|1,0,2]=3 332 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [0,0,0,0,0,0|1,0,2]=3 333 B8R0.4 CC#CCOCCCBr 34a_100011217188_100000748600 [0,0,0,0,0,0|2,0,2]=4 334 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [0,0,0,0,0,0|2,0,2]=4 335 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [0,0,0,0,0,0|2,0,2]=4 336 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [0,0,0,0,0,0|2,0,2]=4 337 B8R0.4 CC#CCOCCCCl 34a_100000230001_100000748600 [0,0,0,0,0,0|2,0,2]=4 338 B8R0.4 CC#CCOCCCF 34a_100000759539_100000748600 [0,0,0,0,0,0|2,0,2]=4 339 B8R0.4 CC#CCOCCCF 34a_100000761923_100011934791 [0,0,0,0,0,0|2,0,2]=4 340 B8R0.4 CC#CCOCCCN 34a_100000182051_100000748600 [0,0,0,0,0,0|2,0,2]=4 341 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [0,0,0,0,0,0|1,0,2]=3 342 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,0,0,0,0,0|2,0,2]=4 343 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,0,0,0,0,0|2,0,2]=4 344 B8R0.4 CC#CCSCCCF 62a_100000748600_100011934791 [0,0,0,0,0,0|2,0,2]=4 345 B8R0.4 CC#CCSCCCF 62a_100011934791_100000748600 [0,0,0,0,0,0|2,0,2]=4 346 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [0,0,0,0,0,0|1,0,2]=3 347 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [0,0,0,0,0,0|1,0,2]=3 348 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,0,0,0,0,0|2,0,2]=4 349 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,0,0,0,0,0|2,0,2]=4 350 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,0,0,0,0,0|2,0,2]=4 351 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,0,0,0,0,0|2,0,2]=4 352 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [0,0,0,0,0,0|2,0,2]=4 353 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,0,0,0,0,0|2,0,2]=4 354 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,0,0,0,0,0|2,0,2]=4 355 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,0,0,0,0,0|2,0,2]=4 356 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [0,0,0,0,0,0|2,0,2]=4 357 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [0,0,0,0,0,0|2,0,2]=4 358 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,0,0,0,0,0|2,0,2]=4 359 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,0,0,0,0,0|2,0,2]=4 360 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [0,0,0,0,0,0|2,0,2]=4 361 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [0,0,0,0,0,0|2,0,2]=4 362 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,0,0,0,0,0|2,0,2]=4 363 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,0,0,0,0,0|1,0,2]=3 364 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,0,0,0,0,0|1,0,2]=3 365 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [0,0,0,0,0,0|2,0,2]=4 366 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [0,0,0,0,0,0|2,0,2]=4 367 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [0,0,0,0,0,0|2,0,2]=4 368 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [0,0,0,0,0,0|2,0,2]=4 369 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [0,0,0,0,0,0|2,0,2]=4 370 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [0,0,0,0,0,0|1,0,2]=3 371 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,0,0,0,0,0|2,0,2]=4 372 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,0,0,0,0,0|2,0,2]=4 373 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [0,0,0,0,0,0|2,0,2]=4 374 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [0,0,0,0,0,0|2,0,2]=4 375 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,0,0,0,0,0|1,0,2]=3 376 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,0,0,0,0,0|1,0,2]=3 377 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,0,0,0,0,0|2,0,2]=4 378 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [0,0,0,0,0,0|2,0,2]=4 379 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,0,0,0,0|2,0,2]=4 380 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,0,0,0,0|2,0,2]=4 381 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [0,0,0,0,0,0|2,0,2]=4 382 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [0,0,0,0,0,0|2,0,2]=4 383 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [0,0,0,0,0,0|2,0,2]=4 384 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,0,0,0,0|2,0,2]=4 385 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,0,0,0,0|2,0,2]=4 386 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [0,0,0,0,0,0|2,0,2]=4 387 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [0,0,0,0,0,0|2,0,2]=4 388 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,0,0,0,0,0|2,0,2]=4 389 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,0,0,0,0|2,0,2]=4 390 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,0,0,0,0|2,0,2]=4 391 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,0,0,0,0,0|2,0,2]=4 392 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,0,0,0,0,0|2,0,2]=4 393 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,0,0,0,0,0|1,0,2]=3 394 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,0,0,0,0,0|1,0,2]=3 395 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,0,0,0,0,0|3,0,1]=4 396 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [0,0,0,0,0,0|2,0,2]=4 397 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [0,0,0,0,0,0|2,0,2]=4 398 B8R0.4 CCC#CCCOCF 34a_100000036655_100015361967 [0,0,0,0,0,0|2,0,2]=4 399 B8R0.4 CCC#CCCOCF 7a_100000036655_100015361967 [0,0,0,0,0,0|2,0,2]=4 400 B8R0.4 CCC#CCNCCF 34a_100000724931_100009813939 [0,0,0,0,0,0|2,0,2]=4 401 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [0,0,0,0,0,0|1,0,2]=3 402 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [0,0,0,0,0,0|1,0,2]=3 403 B8R0.4 CCC#CCOCCBr 34a_100000211926_100009813939 [0,0,0,0,0,0|2,0,2]=4 404 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [0,0,0,0,0,0|2,0,2]=4 405 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [0,0,0,0,0,0|2,0,2]=4 406 B8R0.4 CCC#CCOCCF 34a_100000032950_100011217306 [0,0,0,0,0,0|2,0,2]=4 407 B8R0.4 CCC#CCOCCN 34a_100000210304_100009813939 [0,0,0,0,0,0|2,0,2]=4 408 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [0,0,0,0,0,0|1,0,2]=3 409 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [0,0,0,0,0,0|2,0,2]=4 410 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [0,0,0,0,0,0|2,0,2]=4 411 B8R0.4 CCC#CCSCCF 62a_100009813939_100011217306 [0,0,0,0,0,0|2,0,2]=4 412 B8R0.4 CCC#CCSCCF 62a_100011217306_100009813939 [0,0,0,0,0,0|2,0,2]=4 413 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [0,0,0,0,0,0|1,0,2]=3 414 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [0,0,0,0,0,0|1,0,2]=3 415 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,0,0,0,0,0|2,0,2]=4 416 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,0,0,0,0,0|2,0,2]=4 417 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [0,0,0,0,0,0|2,0,2]=4 418 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [0,0,0,0,0,0|2,0,2]=4 419 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [0,0,0,0,0,0|3,0,1]=4 420 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,0,0,0,0,0|2,0,2]=4 421 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,0,0,0,0,0|2,0,2]=4 422 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,0,0,0,0,0|2,0,2]=4 423 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,0,0,0,0,0|2,0,2]=4 424 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [0,0,0,0,0,0|2,0,2]=4 425 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [0,0,0,0,0,0|2,0,2]=4 426 B8R0.4 CCCC#CCOCF 34a_100000034806_100015361967 [0,0,0,0,0,0|2,0,2]=4 427 B8R0.4 CCCC#CCOCF 7a_100000034806_100015361967 [0,0,0,0,0,0|2,0,2]=4 428 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,0,0,0,0,0|2,0,2]=4 429 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,0,0,0,0,0|2,0,2]=4 430 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,0,0,0,0,0|2,0,2]=4 431 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,0,0,0,0,0|2,0,2]=4 432 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [0,0,0,0,0,0|3,0,1]=4 433 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,0,0,0,0,0|2,0,1]=3 434 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [0,0,0,0,0,0|2,0,2]=4 435 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [0,0,0,0,0,0|2,0,2]=4 436 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [0,0,0,0,0,0|2,0,2]=4 437 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [0,0,0,0,0,0|2,0,2]=4 438 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [0,0,0,0,0,0|3,0,1]=4 439 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,0,0,0,0|2,0,0]=2 440 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,0,0,0,0|2,0,0]=2 441 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,0,0,0,0|2,0,0]=2 442 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,0,0,0,0|2,0,0]=2 443 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,0,0,0,0|2,0,0]=2 444 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,0,0,0,0|2,0,0]=2 445 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,0,0,0,0|2,0,0]=2 446 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,0,0,0,0|2,0,0]=2 447 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,0,0,0,0|2,0,0]=2 448 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,0,0,0,0|2,0,0]=2 449 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,0,0,0,0|2,0,0]=2 450 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,0,0,0,0|2,0,0]=2 451 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,0,0,0,0|2,0,0]=2 452 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,0,0,0,0|2,0,0]=2 453 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,0,0,0,0|2,0,0]=2 454 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,0,0,0,0|2,0,0]=2 455 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,0,0,0,0|2,0,0]=2 456 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,0,0,0,0|2,0,0]=2 457 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,0,0,0,0|2,0,0]=2 458 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,0,0,0,0,0|2,0,0]=2 459 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,0,0,0,0,0|2,0,0]=2 460 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,0,0,0,0|2,0,0]=2 461 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,0,0,0,0|2,0,0]=2 462 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,0,0,0,0,0|2,0,0]=2 463 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,0,0,0,0,0|2,0,0]=2 464 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [0,0,0,0,0,0|2,0,1]=3 465 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,0,0,0,0,0|1,0,2]=3 466 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,0,0,0,0,0|2,0,0]=2 467 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,0,0,0,0,0|2,0,0]=2 468 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,0,0,0,0,0|2,0,0]=2 469 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,0,0,0,0,0|1,0,0]=1 470 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,0,0,0,0,0|1,0,0]=1 471 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,0,0,0,0,0|1,0,0]=1 472 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,0,0,0,0,0|3,0,0]=3 473 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,0,0,0,0,0|3,0,0]=3 474 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [0,0,0,0,0,0|2,0,1]=3 475 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,0,0,0,0,0|1,0,2]=3 476 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,0,0,0,0,0|1,0,2]=3 477 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,0,0,0,0,0|2,0,0]=2 478 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,0,0,0,0,0|2,0,0]=2 479 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,0,0,0,0,0|2,0,0]=2 480 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,0,0,0,0,0|2,0,0]=2 481 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,0,0,0,0,0|2,0,0]=2 482 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,0,0,0,0,0|2,0,0]=2 483 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,0,0,0,0,0|2,0,0]=2 484 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,0,0,0,0,0|1,0,0]=1 485 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,0,0,0,0,0|1,0,0]=1 486 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,0,0,0,0,0|3,0,0]=3 487 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,0,0,0,0,0|2,0,1]=3 488 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,0,0,0,0,0|2,0,1]=3 489 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,0,0,0,0,0|1,0,2]=3 490 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,0,0,0,0,0|1,0,2]=3 491 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,0,0,0,0,0|2,0,0]=2 492 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,0,0,0,0,0|2,0,0]=2 493 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,0,0,0,0,0|2,0,0]=2 494 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,0,0,0,0,0|2,0,0]=2 495 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,0,0,0,0,0|1,0,0]=1 496 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,0,0,0,0,0|1,0,0]=1 497 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,0,0,0,0,0|3,0,0]=3 498 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,0,0,0,0,0|3,0,0]=3 499 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,0,0,0,0,0|3,0,0]=3 500 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,0,0,0,0,0|3,0,0]=3 501 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,0,0,0,0,0|2,0,1]=3 502 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,0,0,0,0,0|2,0,1]=3 503 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,0,0,0,0,0|2,0,0]=2 504 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,0,0,0,0,0|2,0,0]=2 505 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,0,0,0,0,0|2,0,0]=2 506 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,0,0,0,0,0|2,0,0]=2 507 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,0,0,0,0,0|2,0,0]=2 508 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,0,0,0,0,0|2,0,0]=2 509 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,0,0,0,0,0|1,0,0]=1 510 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,0,0,0,0,0|1,0,0]=1 511 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,0,0,0,0,0|3,0,0]=3 512 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,0,0,0,0,0|3,0,0]=3 513 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,0,0,0,0,0|3,0,0]=3 514 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,0,0,0,0,0|3,0,0]=3 515 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,0,0,0,0,0|3,0,0]=3 516 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,0,0,0,0,0|3,0,0]=3 517 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [0,0,0,0,0,0|2,0,1]=3 518 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,0,0,0,0,0|2,0,0]=2 519 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,0,0,0,0,0|2,0,0]=2 520 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,0,0,0,0,0|2,0,0]=2 521 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,0,0,0,0,0|2,0,0]=2 522 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,0,0,0,0,0|2,0,0]=2 523 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,0,0,0,0,0|2,0,0]=2 524 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,0,0,0,0,0|2,0,0]=2 525 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,0,0,0,0,0|2,0,0]=2 526 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,0,0,0,0,0|1,0,0]=1 527 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,0,0,0,0,0|1,0,0]=1 528 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,0,0,0,0,0|3,0,0]=3 529 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,0,0,0,0,0|3,0,0]=3 530 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,0,0,0,0,0|3,0,0]=3 531 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,0,0,0,0,0|3,0,0]=3 532 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,0,0,0,0,0|3,0,0]=3 533 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,0,0,0,0,0|3,0,0]=3 534 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,0,0,0,0,0|3,0,0]=3 535 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,0,0,0,0,0|3,0,0]=3 536 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,0,0,0,0,0|3,0,0]=3 537 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,0,0,0,0,0|3,0,0]=3 538 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,0,0,0,0,0|3,0,0]=3 539 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,0,0,0,0,0|3,0,0]=3 540 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,0,0,0,0,0|3,0,0]=3 541 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,0,0,0,0,0|3,0,0]=3 542 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,0,0,0,0,0|3,0,0]=3 543 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,0,0,0,0,0|3,0,0]=3 544 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,0,0,0,0,0|3,0,0]=3 545 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,0,0,0,0,0|3,0,0]=3 546 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,0,0,0,0,0|3,0,0]=3 547 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,0,0,0,0,0|3,0,0]=3 548 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,0,0,0,0,0|3,0,0]=3 549 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,0,0,0,0,0|3,0,0]=3 550 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,0,0,0,0,0|3,0,0]=3 551 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,0,0,0,0,0|3,0,0]=3 552 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,0,0,0,0,0|3,0,0]=3 553 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,0,0,0,0,0|3,0,0]=3 554 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,0,0,0,0,0|2,0,1]=3 555 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,0,0,0,0,0|2,0,1]=3 556 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,0,0,0,0,0|2,0,0]=2 557 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,0,0,0,0,0|2,0,0]=2 558 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,0,0,0,0,0|2,0,0]=2 559 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,0,0,0,0,0|1,0,0]=1 560 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,0,0,0,0,0|1,0,0]=1 561 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,0,0,0,0,0|3,0,0]=3 562 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,0,0,0,0,0|3,0,0]=3 563 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,0,0,0,0,0|3,0,0]=3 564 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,0,0,0,0,0|3,0,0]=3 565 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,0,0,0,0,0|3,0,0]=3 566 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,0,0,0,0,0|3,0,0]=3 567 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,0,0,0,0,0|3,0,0]=3 568 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,0,0,0,0,0|3,0,0]=3 569 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,0,0,0,0,0|3,0,0]=3 570 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,0,0,0,0,0|3,0,0]=3 571 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,0,0,0,0,0|3,0,0]=3 572 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,0,0,0,0,0|3,0,0]=3 573 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,0,0,0,0,0|3,0,1]=4 574 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,0,0,0,0,0|3,0,1]=4 575 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,0,0,0,0,0|1,0,0]=1 576 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,0,0,0,0,0|1,0,0]=1 577 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,0,0,0,0,0|3,0,0]=3 578 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,0,0,0,0,0|3,0,0]=3 579 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,0,0,0,0,0|3,0,0]=3 580 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,0,0,0,0,0|3,0,0]=3 581 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,0,0,0,0,0|3,0,0]=3 582 B8R0.4 CCCOCC#CCCl 34a_200000047223_100000210303 [0,0,0,0,0,0|2,0,2]=4 583 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [0,0,0,0,0,0|1,0,2]=3 584 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,0,0,0,0,0|2,0,0]=2 585 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,0,0,0,0,0|2,0,0]=2 586 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,0,0,0,0,0|2,0,0]=2 587 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,0,0,0,0,0|2,0,0]=2 588 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,0,0,0,0,0|2,0,0]=2 589 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,0,0,0,0,0|2,0,0]=2 590 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,0,0,0,0,0|2,0,0]=2 591 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,0,0,0,0,0|2,0,0]=2 592 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,0,0,0,0,0|1,0,0]=1 593 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,0,0,0,0,0|3,0,0]=3 594 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,0,0,0,0,0|3,0,0]=3 595 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,0,0,0,0,0|3,0,0]=3 596 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,0,0,0,0,0|3,0,0]=3 597 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,0,0,0,0,0|3,0,0]=3 598 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,0,0,0,0,0|3,0,0]=3 599 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,0,0,0,0,0|3,0,0]=3 600 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,0,0,0,0,0|3,0,0]=3 601 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,0,0,0,0,0|3,0,0]=3 602 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,0,0,0,0,0|3,0,0]=3 603 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,0,0,0,0,0|3,0,0]=3 604 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,0,0,0,0,0|3,0,0]=3 605 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,0,0,0,0,0|3,0,0]=3 606 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,0,0,0,0,0|3,0,0]=3 607 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,0,0,0,0,0|3,0,0]=3 608 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,0,0,0,0,0|3,0,0]=3 609 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,0,0,0,0,0|3,0,0]=3 610 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,0,0,0,0,0|3,0,0]=3 611 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,0,0,0,0,0|3,0,0]=3 612 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,0,0,0,0,0|3,0,0]=3 613 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,0,0,0,0,0|3,0,0]=3 614 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,0,0,0,0,0|3,0,0]=3 615 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,0,0,0,0,0|3,0,0]=3 616 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,0,0,0,0,0|3,0,0]=3 617 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,0,0,0,0,0|3,0,0]=3 618 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,0,0,0,0,0|3,0,0]=3 619 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,0,0,0,0,0|3,0,0]=3 620 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,0,0,0,0,0|3,0,0]=3 621 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,0,0,0,0,0|1,0,2]=3 622 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,0,0,0,0,0|1,0,2]=3 623 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,0,0,0,0,0|2,0,1]=3 624 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,0,0,0,0,0|2,0,1]=3 625 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,0,0,0,0,0|1,0,2]=3 626 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,0,0,0,0,0|1,0,2]=3 627 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,0,0,0,0,0|2,0,0]=2 628 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,0,0,0,0,0|2,0,0]=2 629 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,0,0,0,0,0|1,0,0]=1 630 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,0,0,0,0,0|1,0,0]=1 631 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,0,0,0,0,0|3,0,0]=3 632 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,0,0,0,0,0|3,0,0]=3 633 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,0,0,0,0,0|3,0,0]=3 634 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,0,0,0,0,0|3,0,0]=3 635 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,0,0,0,0,0|3,0,0]=3 636 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,0,0,0,0,0|3,0,0]=3 637 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,0,0,0,0,0|3,0,0]=3 638 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,0,0,0,0,0|3,0,0]=3 639 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,0,0,0,0,0|3,0,0]=3 640 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,0,0,0,0,0|3,0,1]=4 641 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,0,0,0,0,0|3,0,1]=4 642 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,0,0,0,0,0|3,0,0]=3 643 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,0,0,0,0,0|3,0,0]=3 644 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [0,0,0,0,0,0|2,0,1]=3 645 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,0,0,0,0,0|1,0,2]=3 646 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,0,0,0,0,0|2,0,0]=2 647 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,0,0,0,0,0|1,0,0]=1 648 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,0,0,0,0,0|1,0,0]=1 649 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,0,0,0,0,0|1,0,0]=1 650 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,0,0,0,0,0|3,0,0]=3 651 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,0,0,0,0,0|4,0,0]=4 652 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,0,0,0,0,0|3,0,0]=3 653 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,0,0,0,0,0|3,0,0]=3 654 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,0,0,0,0,0|3,0,0]=3 655 B8R0.4 CCNCCOCC#N 2230a_100015525214_200000047693 [0,0,0,0,0,0|3,0,1]=4 656 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,0,0,0,0,0|2,0,0]=2 657 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,0,0,0,0,0|2,0,0]=2 658 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,0,0,0,0,0|2,0,0]=2 659 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,0,0,0,0,0|2,0,0]=2 660 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [0,0,0,0,0,0|4,0,0]=4 661 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,0,0,0,0,0|2,0,0]=2 662 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,0,0,0,0,0|2,0,0]=2 663 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,0,0,0,0,0|2,0,0]=2 664 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,0,0,0,0,0|2,0,0]=2 665 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,0,0,0,0,0|2,0,0]=2 666 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,0,0,0,0,0|2,0,0]=2 667 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,0,0,0,0,0|2,0,0]=2 668 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,0,0,0,0,0|2,0,0]=2 669 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,0,0,0,0,0|1,0,0]=1 670 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,0,0,0,0,0|3,0,0]=3 671 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,0,0,0,0,0|3,0,0]=3 672 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,0,0,0,0,0|3,0,0]=3 673 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,0,0,0,0,0|3,0,0]=3 674 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,0,0,0,0,0|3,0,0]=3 675 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,0,0,0,0,0|3,0,0]=3 676 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,0,0,0,0,0|3,0,0]=3 677 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,0,0,0,0,0|3,0,0]=3 678 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,0,0,0,0,0|3,0,0]=3 679 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,0,0,0,0,0|3,0,0]=3 680 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,0,0,0,0,0|3,0,0]=3 681 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,0,0,0,0,0|3,0,0]=3 682 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,0,0,0,0,0|3,0,0]=3 683 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,0,0,0,0,0|3,0,0]=3 684 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,0,0,0,0,0|3,0,0]=3 685 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,0,0,0,0,0|3,0,0]=3 686 B8R0.4 CCOCCNCC#N 2230a_102516460346_100011215382 [0,0,0,0,0,0|3,0,1]=4 687 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,0,0,0,0,0|2,0,2]=4 688 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,0,0,0,0,0|2,0,2]=4 689 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,0,0,0,0,0|3,0,0]=3 690 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,0,0,0,0,0|3,0,0]=3 691 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,0,0,0,0,0|3,0,0]=3 692 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,0,0,0,0,0|2,0,0]=2 693 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,0,0,0,0,0|2,0,0]=2 694 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,0,0,0,0,0|2,0,0]=2 695 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,0,0,0,0,0|2,0,0]=2 696 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,0,0,0,0,0|4,0,0]=4 697 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,0,0,0,0,0|4,0,0]=4 698 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,0,0,0,0,0|4,0,0]=4 699 B8R0.4 CCOCCOCC#N 7a_100000210136_100011215382 [0,0,0,0,0,0|3,0,1]=4 700 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,0,0,0,0,0|2,0,2]=4 701 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,0,0,0,0,0|2,0,2]=4 702 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,0,0,0,0,0|3,0,0]=3 703 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,0,0,0,0,0|3,0,0]=3 704 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,0,0,0,0,0|3,0,0]=3 705 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,0,0,0,0,0|3,0,0]=3 706 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,0,0,0,0,0|3,0,0]=3 707 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,0,0,0,0,0|3,0,0]=3 708 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,0,0,0,0,0|3,0,0]=3 709 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,0,0,0,0,0|3,0,0]=3 710 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,0,0,0,0,0|3,0,0]=3 711 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,0,0,0,0,0|3,0,0]=3 712 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,0,0,0,0,0|3,0,0]=3 713 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,0,0,0,0,0|3,0,0]=3 714 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,0,0,0,0,0|3,0,0]=3 715 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,0,0,0,0,0|2,0,0]=2 716 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,0,0,0,0,0|2,0,0]=2 717 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,0,0,0,0,0|2,0,0]=2 718 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,0,0,0,0,0|4,0,0]=4 719 B8R0.4 CCOCCSCC#N 62a_100000210147_100011215382 [0,0,0,0,0,0|3,0,1]=4 720 B8R0.4 CCOCCSCC#N 62a_100011215382_100011215890 [0,0,0,0,0,0|3,0,1]=4 721 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,0,0,0,0,0|2,0,2]=4 722 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,0,0,0,0,0|2,0,2]=4 723 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,0,0,0,0,0|3,0,0]=3 724 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,0,0,0,0,0|3,0,0]=3 725 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,0,0,0,0,0|2,0,0]=2 726 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,0,0,0,0,0|2,0,0]=2 727 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,0,0,0,0,0|4,0,0]=4 728 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,0,0,0,0,0|4,0,0]=4 729 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,0,0,0,0,0|4,0,0]=4 730 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,0,0,0,0,0|4,0,0]=4 731 B8R0.4 CCOCSCCC#N 62a_100000739092_100011215226 [0,0,0,0,0,0|3,0,1]=4 732 B8R0.4 CCOCSCCC#N 62a_100011215226_100000739092 [0,0,0,0,0,0|3,0,1]=4 733 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,0,0,0,0,0|3,0,0]=3 734 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,0,0,0,0,0|3,0,0]=3 735 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,0,0,0,0,0|2,0,0]=2 736 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,0,0,0,0,0|2,0,0]=2 737 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,0,0,0,0,0|4,0,0]=4 738 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,0,0,0,0,0|4,0,0]=4 739 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,0,0,0,0,0|4,0,0]=4 740 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,0,0,0,0,0|4,0,0]=4 741 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [0,0,0,0,0,0|4,0,0]=4 742 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,0,0,0,0,0|2,0,1]=3 743 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,0,0,0,0,0|2,0,1]=3 744 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,0,0,0,0,0|1,0,2]=3 745 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,0,0,0,0,0|1,0,2]=3 746 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,0,0,0,0,0|2,0,0]=2 747 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,0,0,0,0,0|2,0,0]=2 748 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,0,0,0,0,0|1,0,0]=1 749 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,0,0,0,0,0|1,0,0]=1 750 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,0,0,0,0,0|3,0,0]=3 751 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,0,0,0,0,0|3,0,0]=3 752 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,0,0,0,0,0|3,0,0]=3 753 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,0,0,0,0,0|3,0,0]=3 754 B8R0.4 CCSCCNCC#N 2230a_100000106463_100011215382 [0,0,0,0,0,0|3,0,1]=4 755 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,0,0,0,0,0|2,0,2]=4 756 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,0,0,0,0,0|3,0,0]=3 757 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,0,0,0,0,0|3,0,0]=3 758 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,0,0,0,0,0|2,0,0]=2 759 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,0,0,0,0,0|2,0,0]=2 760 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,0,0,0,0,0|2,0,0]=2 761 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,0,0,0,0,0|4,0,0]=4 762 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,0,0,0,0,0|4,0,0]=4 763 B8R0.4 CCSCCOCC#N 62a_100000210202_200000047693 [0,0,0,0,0,0|3,0,1]=4 764 B8R0.4 CCSCCOCC#N 62a_200000047693_100000210202 [0,0,0,0,0,0|3,0,1]=4 765 B8R0.4 CCSCCOCC#N 7a_100000212035_100011215382 [0,0,0,0,0,0|3,0,1]=4 766 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,0,0,0,0,0|2,0,2]=4 767 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,0,0,0,0,0|2,0,2]=4 768 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [0,0,0,0,0,0|3,0,0]=3 769 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [0,0,0,0,0,0|3,0,0]=3 770 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [0,0,0,0,0,0|3,0,0]=3 771 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [0,0,0,0,0,0|3,0,0]=3 772 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,0,0,0,0,0|2,0,0]=2 773 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,0,0,0,0,0|2,0,0]=2 774 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,0,0,0,0,0|2,0,0]=2 775 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,0,0,0,0,0|2,0,0]=2 776 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,0,0,0,0,0|4,0,0]=4 777 B8R0.4 CCSCCSCC#N 62a_100000757381_100011215382 [0,0,0,0,0,0|3,0,1]=4 778 B8R0.4 CCSCCSCC#N 62a_100011215382_100000757381 [0,0,0,0,0,0|3,0,1]=4 779 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,0,0,0,0,0|2,0,2]=4 780 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,0,0,0,0,0|2,0,2]=4 781 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,0,0,0,0,0|3,0,0]=3 782 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,0,0,0,0,0|3,0,0]=3 783 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,0,0,0,0,0|2,0,0]=2 784 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,0,0,0,0,0|2,0,0]=2 785 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,0,0,0,0,0|4,0,0]=4 786 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,0,0,0,0,0|4,0,0]=4 787 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,0,0,0,0,0|4,0,0]=4 788 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,0,0,0,0,0|4,0,0]=4 789 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,0,0,0,0,0|4,0,0]=4 790 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,0,0,0,0,0|4,0,0]=4 791 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,0,0,0,0,0|2,0,1]=3 792 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,0,0,0,0,0|2,0,1]=3 793 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,0,0,0,0,0|1,0,2]=3 794 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,0,0,0,0,0|1,0,2]=3 795 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,0,0,0,0,0|2,0,0]=2 796 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,0,0,0,0,0|2,0,0]=2 797 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,0,0,0,0,0|2,0,0]=2 798 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,0,0,0,0,0|1,0,0]=1 799 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,0,0,0,0,0|1,0,0]=1 800 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,0,0,0,0,0|1,0,0]=1 801 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,0,0,0,0,0|1,0,0]=1 802 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,0,0,0,0,0|1,0,0]=1 803 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,0,0,0,0,0|3,0,0]=3 804 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,0,0,0,0,0|3,0,0]=3 805 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,0,0,0,0,0|3,0,0]=3 806 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,0,0,0,0,0|3,0,0]=3 807 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,0,0,0,0,0|4,0,0]=4 808 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,0,0,0,0,0|2,0,2]=4 809 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [0,0,0,0,0,0|3,0,0]=3 810 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,0,0,0,0,0|2,0,0]=2 811 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,0,0,0,0,0|4,0,0]=4 812 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [0,0,0,0,0,0|4,0,0]=4 813 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [0,0,0,0,0,0|4,0,0]=4 814 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [0,0,0,0,0,0|4,0,0]=4 815 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [0,0,0,0,0,0|4,0,0]=4 816 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [0,0,0,0,0,0|4,0,0]=4 817 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [0,0,0,0,0,0|4,0,0]=4 818 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [0,0,0,0,0,0|4,0,0]=4 819 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,0,0,0,0,0|2,0,0]=2 820 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,0,0,0,0,0|2,0,0]=2 821 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,0,0,0,0,0|2,0,0]=2 822 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,0,0,0,0,0|2,0,0]=2 823 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,0,0,0,0,0|2,0,0]=2 824 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,0,0,0,0,0|2,0,0]=2 825 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,0,0,0,0,0|2,0,0]=2 826 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,0,0,0,0,0|2,0,0]=2 827 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,0,0,0,0,0|1,0,0]=1 828 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,0,0,0,0,0|3,0,0]=3 829 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,0,0,0,0,0|3,0,0]=3 830 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,0,0,0,0,0|3,0,0]=3 831 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,0,0,0,0,0|3,0,0]=3 832 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,0,0,0,0,0|3,0,0]=3 833 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,0,0,0,0,0|2,0,2]=4 834 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,0,0,0,0,0|3,0,0]=3 835 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,0,0,0,0,0|3,0,0]=3 836 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,0,0,0,0,0|2,0,0]=2 837 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,0,0,0,0,0|2,0,0]=2 838 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,0,0,0,0,0|2,0,0]=2 839 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,0,0,0,0,0|4,0,0]=4 840 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,0,0,0,0,0|2,0,2]=4 841 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,0,0,0,0,0|3,0,0]=3 842 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,0,0,0,0,0|3,0,0]=3 843 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,0,0,0,0,0|3,0,0]=3 844 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,0,0,0,0,0|2,0,0]=2 845 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,0,0,0,0,0|4,0,0]=4 846 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,0,0,0,0,0|3,0,1]=4 847 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,0,0,0,0,0|3,0,1]=4 848 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,0,0,0,0,0|2,0,2]=4 849 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,0,0,0,0,0|2,0,2]=4 850 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,0,0,0,0,0|3,0,0]=3 851 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,0,0,0,0,0|3,0,0]=3 852 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,0,0,0,0,0|2,0,0]=2 853 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,0,0,0,0,0|2,0,0]=2 854 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,0,0,0,0,0|4,0,0]=4 855 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,0,0,0,0,0|4,0,0]=4 856 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,0,0,0,0,0|4,0,0]=4 857 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,0,0,0,0,0|4,0,0]=4 858 B8R0.4 COCCNCCC#N 2230a_100000209980_100011215226 [0,0,0,0,0,0|3,0,1]=4 859 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,0,0,0,0,0|3,0,0]=3 860 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,0,0,0,0,0|3,0,0]=3 861 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,0,0,0,0,0|3,0,0]=3 862 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,0,0,0,0,0|2,0,0]=2 863 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [0,0,0,0,0,0|4,0,0]=4 864 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,0,0,0,0,0|4,0,0]=4 865 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,0,0,0,0,0|4,0,0]=4 866 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,0,0,0,0,0|3,0,0]=3 867 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,0,0,0,0,0|3,0,0]=3 868 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,0,0,0,0,0|3,0,0]=3 869 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,0,0,0,0,0|3,0,0]=3 870 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,0,0,0,0,0|3,0,0]=3 871 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,0,0,0,0,0|2,0,0]=2 872 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [0,0,0,0,0,0|4,0,0]=4 873 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [0,0,0,0,0,0|4,0,0]=4 874 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [0,0,0,0,0,0|4,0,0]=4 875 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [0,0,0,0,0,0|4,0,0]=4 876 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [0,0,0,0,0,0|4,0,0]=4 877 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [0,0,0,0,0,0|4,0,0]=4 878 B8R0.4 COCCOCCON 34a_100000700252_100011201679 [0,0,0,0,0,0|4,0,0]=4 879 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [0,0,0,0,0,0|4,0,0]=4 880 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [0,0,0,0,0,0|4,0,0]=4 881 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,0,0,0,0,0|4,0,0]=4 882 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,0,0,0,0,0|4,0,0]=4 883 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,0,0,0,0,0|4,0,0]=4 884 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,0,0,0,0,0|4,0,0]=4 885 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,0,0,0,0,0|4,0,0]=4 886 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,0,0,0,0,0|4,0,0]=4 887 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,0,0,0,0,0|4,0,0]=4 888 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [0,0,0,0,0,0|4,0,0]=4 889 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [0,0,0,0,0,0|4,0,0]=4 890 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,0,0,0,0,0|3,0,1]=4 891 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,0,0,0,0,0|3,0,1]=4 892 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,0,0,0,0,0|3,0,0]=3 893 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,0,0,0,0,0|3,0,0]=3 894 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,0,0,0,0,0|2,0,0]=2 895 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,0,0,0,0,0|2,0,0]=2 896 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,0,0,0,0,0|4,0,0]=4 897 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,0,0,0,0,0|4,0,0]=4 898 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,0,0,0,0,0|4,0,0]=4 899 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,0,0,0,0,0|2,0,0]=2 900 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,0,0,0,0,0|4,0,0]=4 901 B8R0.4 COCSCC#CCO 62a_100000766300_200000047223 [0,0,0,0,0,0|2,0,2]=4 902 B8R0.4 COCSCC#CCO 62a_200000047223_100000766300 [0,0,0,0,0,0|2,0,2]=4 903 B8R0.4 COCSCCCC#N 62a_100000687738_100000766300 [0,0,0,0,0,0|3,0,1]=4 904 B8R0.4 COCSCCCC#N 62a_100000766300_100000687738 [0,0,0,0,0,0|3,0,1]=4 905 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,0,0,0,0,0|2,0,2]=4 906 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,0,0,0,0,0|2,0,2]=4 907 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,0,0,0,0,0|3,0,0]=3 908 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,0,0,0,0,0|3,0,0]=3 909 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,0,0,0,0,0|2,0,0]=2 910 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,0,0,0,0,0|2,0,0]=2 911 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,0,0,0,0,0|2,0,1]=3 912 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,0,0,0,0,0|2,0,1]=3 913 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,0,0,0,0,0|1,0,2]=3 914 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,0,0,0,0,0|1,0,2]=3 915 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,0,0,0,0,0|2,0,0]=2 916 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,0,0,0,0,0|2,0,0]=2 917 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,0,0,0,0,0|1,0,0]=1 918 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,0,0,0,0,0|1,0,0]=1 919 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,0,0,0,0,0|3,0,0]=3 920 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,0,0,0,0,0|3,0,0]=3 921 B8R0.4 CSCCCNCC#N 2230a_100000749238_100011215382 [0,0,0,0,0,0|3,0,1]=4 922 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,0,0,0,0,0|2,0,2]=4 923 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,0,0,0,0,0|3,0,0]=3 924 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,0,0,0,0,0|2,0,0]=2 925 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,0,0,0,0,0|4,0,0]=4 926 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [0,0,0,0,0,0|3,0,1]=4 927 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,0,0,0,0,0|2,0,2]=4 928 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,0,0,0,0,0|2,0,2]=4 929 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,0,0,0,0,0|3,0,0]=3 930 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,0,0,0,0,0|3,0,0]=3 931 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,0,0,0,0,0|2,0,0]=2 932 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,0,0,0,0,0|2,0,0]=2 933 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,0,0,0,0,0|4,0,0]=4 934 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,0,0,0,0,0|3,0,1]=4 935 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,0,0,0,0,0|3,0,0]=3 936 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,0,0,0,0,0|3,0,0]=3 937 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,0,0,0,0,0|3,0,0]=3 938 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,0,0,0,0,0|2,0,0]=2 939 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,0,0,0,0,0|4,0,0]=4 940 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [0,0,0,0,0,0|3,0,1]=4 941 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,0,0,0,0,0|3,0,0]=3 942 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,0,0,0,0,0|3,0,0]=3 943 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,0,0,0,0,0|3,0,0]=3 944 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,0,0,0,0,0|3,0,0]=3 945 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,0,0,0,0,0|3,0,0]=3 946 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,0,0,0,0,0|3,0,0]=3 947 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,0,0,0,0,0|2,0,0]=2 948 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,0,0,0,0,0|2,0,0]=2 949 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,0,0,0,0,0|4,0,0]=4 950 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,0,0,0,0,0|4,0,0]=4 951 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,0,0,0,0,0|4,0,0]=4 952 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,0,0,0,0,0|3,0,1]=4 953 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,0,0,0,0,0|3,0,1]=4 954 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,0,0,0,0,0|3,0,0]=3 955 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,0,0,0,0,0|3,0,0]=3 956 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,0,0,0,0,0|2,0,0]=2 957 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,0,0,0,0,0|2,0,0]=2 958 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,0,0,0,0,0|4,0,0]=4 959 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,0,0,0,0,0|2,0,0]=2 960 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,0,0,0,0,0|2,0,0]=2 961 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,0,0,0,0,0|3,0,0]=3 962 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,0,0,0,0,0|3,0,0]=3 963 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,0,0,0,0,0|3,0,0]=3 964 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,0,0,0,0,0|3,0,0]=3 965 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,0,0,0,0,0|3,0,0]=3 966 B8R0.4 CSCSCC#CCO 62a_100011218213_200000047223 [0,0,0,0,0,0|2,0,2]=4 967 B8R0.4 CSCSCC#CCO 62a_200000047223_100011218213 [0,0,0,0,0,0|2,0,2]=4 968 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,0,0,0,0,0|3,0,1]=4 969 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,0,0,0,0,0|3,0,1]=4 970 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,0,0,0,0,0|2,0,2]=4 971 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,0,0,0,0,0|2,0,2]=4 972 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,0,0,0,0,0|3,0,0]=3 973 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,0,0,0,0,0|3,0,0]=3 974 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,0,0,0,0,0|2,0,0]=2 975 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,0,0,0,0,0|2,0,0]=2 976 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,0,0,0,0,0|3,0,0]=3 977 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,0,0,0,0,0|3,0,0]=3 978 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,0,0,0,0,0|3,0,0]=3 979 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [0,0,0,0,0,0|3,0,0]=3 980 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [0,0,0,0,0,0|3,0,0]=3 981 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [0,0,0,0,0,0|3,0,0]=3 982 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,0,0,0,0,0|3,0,0]=3 983 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,0,0,0,0,0|3,0,0]=3 984 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [0,0,0,0,0,0|3,0,0]=3 985 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [0,0,0,0,0,0|3,0,0]=3 986 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [0,0,0,0,0,0|3,0,0]=3 987 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [0,0,0,0,0,0|3,0,0]=3 988 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [0,0,0,0,0,0|3,0,0]=3 989 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,0,0,0,0,0|3,0,0]=3 990 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [0,0,0,0,0,0|3,0,0]=3 991 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [0,0,0,0,0,0|3,0,0]=3 992 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [0,0,0,0,0,0|3,0,0]=3 993 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [0,0,0,0,0,0|3,0,0]=3 994 B8R0.4 FCCOCCOCF 34a_200015357709_100015361967 [0,0,0,0,0,0|4,0,0]=4 995 B8R0.4 FCCOCCOCF 7a_200015357709_100015361967 [0,0,0,0,0,0|4,0,0]=4 996 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,0,0,0,0,0|3,0,0]=3 997 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,0,0,0,0,0|3,0,0]=3 998 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,0,0,0,0,0|3,0,0]=3 999 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,0,0,0,0,0|3,0,0]=3 1000 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,0,0,0,0,0|3,0,0]=3 1001 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,0,0,0,0,0|3,0,0]=3 1002 B8R0.4 FCOCCOCCBr 34a_100000692535_100015361967 [0,0,0,0,0,0|4,0,0]=4 1003 B8R0.4 FCOCCOCCBr 7a_100000692535_100015361967 [0,0,0,0,0,0|4,0,0]=4 1004 B8R0.4 FCOCCOCCCl 34a_100011215305_100015361967 [0,0,0,0,0,0|4,0,0]=4 1005 B8R0.4 FCOCCOCCCl 7a_100011215305_100015361967 [0,0,0,0,0,0|4,0,0]=4 1006 B8R0.4 FCOCCOCCI 34a_100012149058_100015361967 [0,0,0,0,0,0|4,0,0]=4 1007 B8R0.4 FCOCCOCCI 7a_100012149058_100015361967 [0,0,0,0,0,0|4,0,0]=4 1008 B8R0.4 N#CCCCCSCF 62a_100011219923_100015361967 [0,0,0,0,0,0|3,0,1]=4 1009 B8R0.4 N#CCCCCSCF 62a_100015361967_100000211819 [0,0,0,0,0,0|3,0,1]=4 1010 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [0,0,0,0,0,0|2,0,1]=3 1011 B8R0.4 N#CCCCSCCF 62a_100000687738_100011217306 [0,0,0,0,0,0|3,0,1]=4 1012 B8R0.4 N#CCCCSCCF 62a_100011217306_100000687738 [0,0,0,0,0,0|3,0,1]=4 1013 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,0,0,0,0,0|2,0,1]=3 1014 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,0,0,0,0,0|2,0,1]=3 1015 B8R0.4 N#CCCNCCCF 2230a_100015189416_100011215226 [0,0,0,0,0,0|3,0,1]=4 1016 B8R0.4 N#CCCSCCCF 62a_100011215226_100011934791 [0,0,0,0,0,0|3,0,1]=4 1017 B8R0.4 N#CCCSCCCF 62a_100011934791_100011215226 [0,0,0,0,0,0|3,0,1]=4 1018 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,0,0,0,0,0|2,0,1]=3 1019 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,0,0,0,0,0|2,0,1]=3 1020 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [0,0,0,0,0,0|2,0,1]=3 1021 B8R0.4 N#CCOCCCCCl 7a_100000210776_100011215382 [0,0,0,0,0,0|3,0,1]=4 1022 B8R0.4 N#CCOCCCCF 7a_100011995726_100011215382 [0,0,0,0,0,0|3,0,1]=4 1023 B8R0.4 N#CCSCCCCF 62a_100000729493_100011215382 [0,0,0,0,0,0|3,0,1]=4 1024 B8R0.4 N#CCSCCCCF 62a_100011215382_100000729493 [0,0,0,0,0,0|3,0,1]=4 1025 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,0,0,0,0,0|2,0,1]=3 1026 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,0,0,0,0,0|2,0,1]=3 1027 B8R0.4 N#CSCCSCCO 62a_100000034367_100000211926 [0,0,0,0,0,0|3,0,1]=4 1028 B8R0.4 N#CSCCSCCO 62a_100000211926_100000034367 [0,0,0,0,0,0|3,0,1]=4 1029 B8R0.4 N#CSCSCCCO 62a_100000211825_100011215043 [0,0,0,0,0,0|3,0,1]=4 1030 B8R0.4 N#CSCSCCCO 62a_100011215043_100000211825 [0,0,0,0,0,0|3,0,1]=4 1031 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,0,0,0,0,0|3,0,0]=3 1032 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,0,0,0,0,0|2,0,2]=4 1033 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [0,0,0,0,0,0|3,0,0]=3 1034 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,0,0,0,0,0|2,0,0]=2 1035 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [0,0,0,0,0,0|3,0,0]=3 1036 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,0,0,0,0,0|2,0,0]=2 1037 B8R0.4 NCCOCC#CCO 34a_100000210304_200000047223 [0,0,0,0,0,0|2,0,2]=4 1038 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [0,0,0,0,0,0|3,0,0]=3 1039 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,0,0,0,0,0|2,0,0]=2 1040 B8R0.4 NCCOCCOCF 34a_100000211614_100015361967 [0,0,0,0,0,0|4,0,0]=4 1041 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [0,0,0,0,0,0|4,0,0]=4 1042 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,0,0,0,0,0|3,0,0]=3 1043 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,0,0,0,0,0|2,0,2]=4 1044 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,0,0,0,0,0|2,0,2]=4 1045 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,0,0,0,0,0|2,0,1]=3 1046 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,0,0,0,0,0|2,0,2]=4 1047 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,0,0,0,0,0|2,0,2]=4 1048 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,0,0,0,0,0|2,0,1]=3 1049 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,0,0,0,0,0|2,0,1]=3 1050 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,0,0,0,0,0|2,0,1]=3 1051 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,0,0,0,0,0|2,0,1]=3 1052 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,0,0,0,0,0|2,0,2]=4 1053 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,0,0,0,0,0|2,0,2]=4 1054 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,0,0,0,0,0|2,0,2]=4 1055 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,0,0,0,0,0|2,0,2]=4 1056 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,0,0,0,0,0|2,0,2]=4 1057 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,0,0,0,0,0|2,0,2]=4 1058 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,0,0,0,0,0|2,0,2]=4 1059 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,0,0,0,0,0|2,0,2]=4 1060 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,0,0,0,0,0|2,0,1]=3 1061 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,0,0,0,0,0|2,0,1]=3 1062 B8R0.4 OCC#CCNCCF 34a_100000724931_200000047223 [0,0,0,0,0,0|2,0,2]=4 1063 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [0,0,0,0,0,0|2,0,2]=4 1064 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [0,0,0,0,0,0|2,0,2]=4 1065 B8R0.4 OCC#CCOCCBr 34a_100000211926_200000047223 [0,0,0,0,0,0|2,0,2]=4 1066 B8R0.4 OCC#CCSCCF 62a_100011217306_200000047223 [0,0,0,0,0,0|2,0,2]=4 1067 B8R0.4 OCC#CCSCCF 62a_200000047223_100011217306 [0,0,0,0,0,0|2,0,2]=4 1068 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [0,0,0,0,0,0|2,0,2]=4 1069 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [0,0,0,0,0,0|2,0,2]=4 1070 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,0,0,0,0,0|2,0,0]=2 1071 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,0,0,0,0,0|2,0,0]=2 1072 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,0,0,0,0,0|2,0,0]=2 1073 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,0,0,0,0,0|2,0,0]=2 1074 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,0,0,0,0,0|2,0,0]=2 1075 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,0,0,0,0,0|2,0,0]=2 1076 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,0,0,0,0,0|2,0,0]=2 1077 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,0,0,0,0,0|2,0,0]=2 1078 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,0,0,0,0,0|2,0,0]=2 1079 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,0,0,0,0,0|2,0,0]=2 1080 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,0,0,0,0,0|2,0,0]=2 1081 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,0,0,0,0,0|2,0,0]=2 1082 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,0,0,0,0,0|2,0,0]=2 1083 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,0,0,0,0,0|2,0,0]=2 1084 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,0,0,0,0,0|2,0,0]=2 1085 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,0,0,0,0,0|2,0,0]=2 1086 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,0,0,0,0,0|2,0,0]=2 1087 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,0,0,0,0,0|2,0,0]=2 1088 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,0,0,0,0,0|2,0,0]=2 1089 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,0,0,0,0,0|2,0,0]=2 1090 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,0,0,0,0,0|2,0,0]=2 1091 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,0,0,0,0,0|2,0,0]=2 1092 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,0,0,0,0,0|2,0,0]=2 1093 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,0,0,0,0,0|2,0,0]=2 1094 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,0,0,0,0,0|2,0,0]=2 1095 B8R0.4 OCCOCC#CCCl 34a_200000047223_100000211926 [0,0,0,0,0,0|2,0,2]=4 1096 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,0,0,0,0,0|2,0,0]=2 1097 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,0,0,0,0,0|2,0,0]=2 1098 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,0,0,0,0,0|2,0,0]=2 1099 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,0,0,0,0,0|2,0,0]=2 1100 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,0,0,0,0,0|2,0,0]=2 1101 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,0,0,0,0,0|2,0,0]=2 1102 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [0,0,0,0,0,0|3,0,0]=3 1103 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [0,0,0,0,0,0|3,0,0]=3 1104 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [0,0,0,0,0,0|3,0,0]=3 1105 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,0,0,0,0,0|2,0,0]=2 1106 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,0,0,0,0,0|2,0,0]=2 1107 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,0,0,0,0,0|1,0,0]=1 1108 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,0,0,0,0,0|1,0,0]=1 1109 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,0,0,0,0,0|4,0,0]=4 1110 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,0,0,0,0,0|2,0,0]=2 1111 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,0,0,0,0,0|2,0,0]=2 1112 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,0,0,0,0,0|2,0,0]=2 1113 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,0,0,0,0,0|2,0,0]=2 1114 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,0,0,0,0,0|2,0,0]=2 1115 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,0,0,0,0,0|2,0,0]=2 1116 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,0,0,0,0,0|2,0,0]=2 1117 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,0,0,0,0,0|2,0,1]=3 1118 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,0,0,0,0,0|2,0,1]=3 1119 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,0,0,0,0,0|1,0,2]=3 1120 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,0,0,0,0,0|1,0,2]=3 1121 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,0,0,0,0,0|2,0,0]=2 1122 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,0,0,0,0,0|2,0,0]=2 1123 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,0,0,0,0,0|1,0,0]=1 1124 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,0,0,0,0,0|1,0,0]=1 1125 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 1126 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 1127 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 1128 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|1,0,2]=4 1129 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 1130 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 1131 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 1132 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 1133 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,2]=4 1134 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 1135 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 1136 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 1137 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 1138 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 1139 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 1140 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 1141 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|1,0,2]=4 1142 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|1,0,2]=4 1143 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 1144 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 1145 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 1146 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|1,0,2]=4 1147 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|1,0,2]=4 1148 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|1,0,2]=4 1149 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [1,0,0,0,0,0|1,0,2]=4 1150 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [1,0,0,0,0,0|1,0,2]=4 1151 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [1,0,0,0,0,0|1,0,2]=4 1152 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|1,0,2]=4 1153 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|1,0,2]=4 1154 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [1,0,0,0,0,0|1,0,2]=4 1155 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|1,0,2]=4 1156 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|1,0,2]=4 1157 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [1,0,0,0,0,0|1,0,2]=4 1158 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [1,0,0,0,0,0|1,0,2]=4 1159 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|1,0,2]=4 1160 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|1,0,2]=4 1161 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|1,0,2]=4 1162 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [1,0,0,0,0,0|1,0,2]=4 1163 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|1,0,2]=4 1164 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|1,0,2]=4 1165 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|1,0,2]=4 1166 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [1,0,0,0,0,0|1,0,2]=4 1167 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|1,0,2]=4 1168 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [1,0,0,0,0,0|1,0,2]=4 1169 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,2]=4 1170 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|1,0,2]=4 1171 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,2]=4 1172 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,2]=4 1173 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|1,0,2]=4 1174 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,2]=4 1175 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,2]=4 1176 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|1,0,2]=4 1177 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|1,0,2]=4 1178 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 1179 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 1180 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 1181 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,2]=4 1182 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 1183 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 1184 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 1185 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 1186 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,2]=4 1187 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 1188 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 1189 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 1190 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,2]=4 1191 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,2]=4 1192 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,2]=4 1193 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,2]=4 1194 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 1195 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,2]=4 1196 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 1197 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 1198 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,2]=4 1199 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 1200 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,2]=4 1201 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,2]=4 1202 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,2]=4 1203 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|1,0,2]=4 1204 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|1,0,2]=4 1205 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|1,0,2]=4 1206 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,2]=4 1207 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,2]=4 1208 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|1,0,2]=4 1209 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,2]=4 1210 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,2]=4 1211 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|1,0,2]=4 1212 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|1,0,2]=4 1213 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,2]=4 1214 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,2]=4 1215 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,2]=4 1216 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|1,0,2]=4 1217 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 1218 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,2]=4 1219 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 1220 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|1,0,2]=4 1221 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,2]=4 1222 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,2]=4 1223 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|1,0,2]=4 1224 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|1,0,2]=4 1225 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 1226 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 1227 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 1228 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [1,0,0,0,0,0|1,0,2]=4 1229 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [1,0,0,0,0,0|1,0,2]=4 1230 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [1,0,0,0,0,0|1,0,2]=4 1231 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [1,0,0,0,0,0|1,0,2]=4 1232 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|1,0,2]=4 1233 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|1,0,2]=4 1234 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [1,0,0,0,0,0|1,0,2]=4 1235 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|1,0,2]=4 1236 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|1,0,2]=4 1237 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [1,0,0,0,0,0|1,0,2]=4 1238 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [1,0,0,0,0,0|1,0,2]=4 1239 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 1240 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|1,0,2]=4 1241 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 1242 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 1243 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,2]=4 1244 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 1245 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 1246 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 1247 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,2]=4 1248 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,2]=4 1249 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,2]=4 1250 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,2]=4 1251 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|1,0,2]=4 1252 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|1,0,2]=4 1253 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|1,0,2]=4 1254 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|1,0,2]=4 1255 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|1,0,2]=4 1256 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,2]=4 1257 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,2]=4 1258 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|1,0,2]=4 1259 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|1,0,2]=4 1260 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,2]=4 1261 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,2]=4 1262 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,2]=4 1263 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|1,0,2]=4 1264 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1265 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,1]=4 1266 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 1267 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 1268 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 1269 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 1270 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [1,0,0,0,0,0|1,0,2]=4 1271 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,0,0,0,0,0|1,0,2]=4 1272 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,0,0,0,0,0|1,0,2]=4 1273 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,0,0,0,0,0|1,0,2]=4 1274 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,0,0,0,0,0|1,0,2]=4 1275 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 1276 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 1277 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 1278 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 1279 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,1]=4 1280 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [1,0,0,0,0,0|2,0,1]=4 1281 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 1282 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 1283 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 1284 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 1285 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,0,0,0,0,0|2,0,1]=4 1286 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,0]=2 1287 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 1288 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,0]=2 1289 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 1290 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,0]=2 1291 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 1292 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,0]=2 1293 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 1294 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 1295 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 1296 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,0]=2 1297 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,0]=2 1298 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,0]=2 1299 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,0]=2 1300 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,0]=2 1301 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,0]=2 1302 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 1303 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,0]=2 1304 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 1305 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 1306 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 1307 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,0]=2 1308 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,0]=2 1309 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,0]=3 1310 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,0]=3 1311 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 1312 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 1313 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,2]=4 1314 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,2]=4 1315 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,0]=2 1316 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,0]=2 1317 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,0]=3 1318 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,0]=3 1319 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,0]=3 1320 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|1,0,0]=2 1321 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|1,0,0]=2 1322 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|1,0,0]=2 1323 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|1,0,0]=2 1324 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,0]=3 1325 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,0]=3 1326 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 1327 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,2]=4 1328 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,2]=4 1329 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,0]=3 1330 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 1331 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,0]=2 1332 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 1333 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 1334 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 1335 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,0]=3 1336 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,0]=2 1337 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,0]=2 1338 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,0]=3 1339 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,0]=3 1340 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,0]=3 1341 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,0]=3 1342 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,0]=3 1343 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,0]=3 1344 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,0]=3 1345 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,0]=3 1346 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 1347 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 1348 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,2]=4 1349 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,2]=4 1350 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,0]=2 1351 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,0]=2 1352 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,0]=3 1353 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,0]=3 1354 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,0,0]=2 1355 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,0,0]=2 1356 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,0]=3 1357 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,0]=3 1358 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,0]=3 1359 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,0]=3 1360 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 1361 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 1362 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,0]=3 1363 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,0]=3 1364 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,0]=3 1365 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,0]=3 1366 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,0]=3 1367 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,0]=3 1368 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,0]=3 1369 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,0]=2 1370 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 1371 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 1372 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,0]=3 1373 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 1374 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 1375 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 1376 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 1377 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,0]=3 1378 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,0]=3 1379 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 1380 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,0]=3 1381 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 1382 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|3,0,0]=4 1383 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 1384 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 1385 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,0]=3 1386 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 1387 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,0]=3 1388 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,0]=3 1389 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 1390 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,0]=3 1391 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,0]=3 1392 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 1393 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 1394 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,0]=3 1395 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,0]=3 1396 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,0,0]=2 1397 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,0,0]=2 1398 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,0]=3 1399 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,0]=3 1400 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 1401 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,0]=3 1402 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,0]=3 1403 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 1404 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 1405 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 1406 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,0]=3 1407 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,0]=3 1408 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,0]=3 1409 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,0]=3 1410 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [1,0,0,0,0,0|1,0,2]=4 1411 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 1412 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,2]=4 1413 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,0]=3 1414 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|1,0,0]=2 1415 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|1,0,0]=2 1416 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,0]=2 1417 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,0]=3 1418 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,0]=3 1419 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,0]=3 1420 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,0]=3 1421 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 1422 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 1423 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|2,0,0]=3 1424 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|2,0,0]=3 1425 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [1,0,0,0,0,0|1,0,2]=4 1426 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,0]=3 1427 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 1428 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 1429 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 1430 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,0]=3 1431 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 1432 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,0]=3 1433 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 1434 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,0]=2 1435 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 1436 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 1437 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 1438 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,0]=3 1439 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,0]=3 1440 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 1441 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 1442 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 1443 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,0]=3 1444 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 1445 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,0]=3 1446 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,0]=3 1447 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 1448 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 1449 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 1450 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 1451 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,0]=3 1452 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,0]=3 1453 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 1454 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,0]=3 1455 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,0]=3 1456 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,0,0,0,0,0|3,0,0]=4 1457 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 1458 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,0]=3 1459 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 1460 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 1461 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 1462 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 1463 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,0]=3 1464 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,0]=3 1465 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,0]=3 1466 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 1467 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,0,0,0,0,0|3,0,0]=4 1468 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,0,0,0,0,0|3,0,0]=4 1469 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,0,0,0,0,0|3,0,0]=4 1470 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,0,0,0,0,0|3,0,0]=4 1471 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|2,0,0]=3 1472 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|2,0,0]=3 1473 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|3,0,0]=4 1474 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|3,0,0]=4 1475 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|3,0,0]=4 1476 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|3,0,0]=4 1477 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [1,0,0,0,0,0|1,0,2]=4 1478 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [1,0,0,0,0,0|1,0,2]=4 1479 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 1480 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 1481 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,2]=4 1482 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,2]=4 1483 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,0]=3 1484 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,0]=3 1485 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|1,0,0]=2 1486 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|1,0,0]=2 1487 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 1488 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,0]=3 1489 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,0]=3 1490 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 1491 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 1492 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 1493 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 1494 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 1495 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|2,0,0]=3 1496 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|2,0,0]=3 1497 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,0,0,0,0,0|3,0,0]=4 1498 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,0,0,0,0,0|3,0,0]=4 1499 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1500 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1501 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 1502 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 1503 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1504 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,0]=3 1505 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1506 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|1,0,0]=2 1507 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|1,0,0]=2 1508 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,0]=2 1509 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|1,0,0]=2 1510 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|1,0,0]=2 1511 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1512 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,0]=3 1513 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1514 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|3,0,0]=4 1515 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|2,0,0]=3 1516 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|2,0,0]=3 1517 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,0]=3 1518 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|2,0,0]=3 1519 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|2,0,0]=3 1520 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|2,0,0]=3 1521 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|3,0,0]=4 1522 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1523 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1524 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1525 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1526 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,0]=3 1527 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1528 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1529 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1530 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,0]=2 1531 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,0]=3 1532 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,0]=3 1533 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,0]=3 1534 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1535 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,0]=3 1536 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,0]=3 1537 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1538 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,0]=3 1539 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,0]=3 1540 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 1541 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 1542 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 1543 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 1544 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|3,0,0]=4 1545 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|3,0,0]=4 1546 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|2,0,0]=3 1547 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|2,0,0]=3 1548 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|2,0,0]=3 1549 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|3,0,0]=4 1550 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|3,0,0]=4 1551 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|3,0,0]=4 1552 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1553 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1554 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1555 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1556 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|3,0,0]=4 1557 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1558 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1559 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1560 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1561 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|3,0,0]=4 1562 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1563 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,0]=3 1564 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,0]=3 1565 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|3,0,0]=4 1566 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|3,0,0]=4 1567 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|3,0,0]=4 1568 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|3,0,0]=4 1569 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|3,0,0]=4 1570 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|3,0,0]=4 1571 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|3,0,0]=4 1572 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|2,0,0]=3 1573 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|2,0,0]=3 1574 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|3,0,0]=4 1575 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|3,0,0]=4 1576 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|3,0,0]=4 1577 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|3,0,0]=4 1578 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|3,0,0]=4 1579 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|3,0,0]=4 1580 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|3,0,0]=4 1581 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|3,0,0]=4 1582 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,0]=3 1583 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,0]=3 1584 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|3,0,0]=4 1585 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|3,0,0]=4 1586 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 1587 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 1588 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,2]=4 1589 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,2]=4 1590 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,0]=3 1591 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,0]=3 1592 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,0,0]=2 1593 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,0,0]=2 1594 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1595 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1596 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1597 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1598 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|3,0,0]=4 1599 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|3,0,0]=4 1600 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|2,0,0]=3 1601 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|2,0,0]=3 1602 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|2,0,0]=3 1603 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|3,0,0]=4 1604 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|3,0,0]=4 1605 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1606 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1607 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|3,0,0]=4 1608 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|2,0,0]=3 1609 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|2,0,0]=3 1610 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|2,0,0]=3 1611 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|2,0,0]=3 1612 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|3,0,0]=4 1613 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|3,0,0]=4 1614 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|3,0,0]=4 1615 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|2,0,0]=3 1616 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|2,0,0]=3 1617 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|3,0,0]=4 1618 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|3,0,0]=4 1619 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1620 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1621 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|3,0,0]=4 1622 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|3,0,0]=4 1623 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|3,0,0]=4 1624 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|3,0,0]=4 1625 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,0,0,0,0,0|3,0,0]=4 1626 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,0,0,0,0,0|3,0,0]=4 1627 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|2,0,0]=3 1628 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|2,0,0]=3 1629 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1630 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1631 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,0,0,0,0,0|3,0,0]=4 1632 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,0,0,0,0,0|3,0,0]=4 1633 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1634 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [1,0,0,0,0,0|3,0,0]=4 1635 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1636 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1637 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,0,0,0,0,0|3,0,0]=4 1638 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [1,0,0,0,0,0|3,0,0]=4 1639 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [1,0,0,0,0,0|3,0,0]=4 1640 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,0,0,0,0,0|3,0,0]=4 1641 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,0,0,0,0,0|3,0,0]=4 1642 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,0,0,0,0,0|3,0,0]=4 1643 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1644 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1645 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1646 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [1,0,0,0,0,0|2,0,1]=4 1647 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [1,0,0,0,0,0|2,0,1]=4 1648 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [1,0,0,0,0,0|2,0,1]=4 1649 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [1,0,0,0,0,0|2,0,1]=4 1650 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [1,0,0,0,0,0|2,0,1]=4 1651 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 1652 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,0,0,0,0|3,0,0]=4 1653 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|2,0,0]=3 1654 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,0,0,0,0|3,0,0]=4 1655 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|2,0,0]=3 1656 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,0,0,0,0,0|3,0,0]=4 1657 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,1]=4 1658 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,1]=4 1659 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,0]=3 1660 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|2,0,0]=3 1661 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|2,0,0]=3 1662 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,0,0,0,0|2,0,0]=3 1663 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|2,0,0]=3 1664 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|2,0,0]=3 1665 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|2,0,0]=3 1666 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,0,0,0,0|2,0,0]=3 1667 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,0,0,0,0|2,0,0]=3 1668 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|2,0,0]=3 1669 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|2,0,0]=3 1670 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|2,0,0]=3 1671 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|2,0,0]=3 1672 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|2,0,0]=3 1673 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|2,0,0]=3 1674 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,0]=3 1675 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,0]=3 1676 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,0]=3 1677 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|2,0,0]=3 1678 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|2,0,0]=3 1679 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|1,0,0]=2 1680 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,0]=2 1681 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|2,0,0]=3 1682 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,0]=3 1683 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|2,0,0]=3 1684 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1685 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1686 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1687 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1688 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1689 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1690 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1691 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1692 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1693 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1694 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1695 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1696 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1697 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1698 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1699 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1700 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 1701 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 1702 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,2]=4 1703 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,2]=4 1704 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,0]=3 1705 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,0]=3 1706 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,0,0]=2 1707 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,0,0]=2 1708 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|2,0,0]=3 1709 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|2,0,0]=3 1710 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|1,0,2]=4 1711 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|1,0,2]=4 1712 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|1,0,2]=4 1713 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.2 C#CCCCCNC(C)C 2230a_100000706060_100000210206 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.2 C#CCCCCNC(C)C 2230a_100138425928_100010269958 [0,1,0,0,0,0|2,0,1]=4 1717 B9R0.2 C#CCCCCNC(C)C 34a_100000706060_100000210206 [0,1,0,0,0,0|2,0,1]=4 1718 B9R0.2 C#CCCCCNC(C)C 34a_100138425928_100010269958 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.2 C#CCCCCOC(C)C 34a_100000212225_100010269958 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.2 C#CCCCCOC(C)C 34a_100000766709_100000210206 [0,1,0,0,0,0|2,0,1]=4 1721 B9R0.2 C#CCCCCOC(C)C 7a_100000766709_100000210206 [0,1,0,0,0,0|2,0,1]=4 1722 B9R0.2 C#CCCCCSC(C)C 62a_100000210206_100010269958 [0,1,0,0,0,0|2,0,1]=4 1723 B9R0.2 C#CCCCCSC(C)C 62a_100010269958_100000210206 [0,1,0,0,0,0|2,0,1]=4 1724 B9R0.2 C#CCCCNCC(C)C 2230a_100000210953_100000731252 [0,1,0,0,0,0|2,0,1]=4 1725 B9R0.2 C#CCCCNCC(C)C 270004a_100000718082_100000210432 [0,1,0,0,0,0|2,0,1]=4 1726 B9R0.2 C#CCCCNCC(C)C 34a_100000210953_100000695029 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.2 C#CCCCNCC(C)C 34a_100000718082_100000210624 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.2 C#CCCCNCC(C)O 2230a_100000210904_100000731252 [0,1,0,0,0,0|1,0,2]=4 1729 B9R0.2 C#CCCCNCC(C)O 34a_100000210904_100000695029 [0,1,0,0,0,0|1,0,2]=4 1730 B9R0.2 C#CCCCNCC(C)O 34a_100000718082_100011218427 [0,1,0,0,0,0|1,0,2]=4 1731 B9R0.2 C#CCCCNC[C@@H](C)O 34a_100000718082_100009817552 [0,1,0,0,0,0|1,0,2]=4 1732 B9R0.2 C#CCCCOCC(C)Br 34a_100012180447_100000695029 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.2 C#CCCCOCC(C)C 34a_100000210257_100000695029 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.2 C#CCCCOCC(C)C 34a_100000215630_100000210624 [0,1,0,0,0,0|2,0,1]=4 1735 B9R0.2 C#CCCCOCC(C)C 7a_100000215630_100000210760 [0,1,0,0,0,0|2,0,1]=4 1736 B9R0.2 C#CCCCOCC(C)F 34a_100015925927_100000695029 [0,1,0,0,0,0|2,0,1]=4 1737 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [0,1,0,0,0,0|1,0,2]=4 1738 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [0,1,0,0,0,0|1,0,2]=4 1739 B9R0.2 C#CCCCOC[C@@H](C)Cl 34a_100016084084_100000695029 [0,1,0,0,0,0|2,0,1]=4 1740 B9R0.2 C#CCCCOC[C@@H](C)N 34a_100000737577_100000695029 [0,1,0,0,0,0|2,0,1]=4 1741 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [0,1,0,0,0,0|1,0,2]=4 1742 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [0,1,0,0,0,0|1,0,2]=4 1743 B9R0.2 C#CCCCSCC(C)C 62a_100000210624_100011215417 [0,1,0,0,0,0|2,0,1]=4 1744 B9R0.2 C#CCCCSCC(C)C 62a_100011215417_100000210760 [0,1,0,0,0,0|2,0,1]=4 1745 B9R0.2 C#CCCCSCC(C)O 62a_100011215417_100011218427 [0,1,0,0,0,0|1,0,2]=4 1746 B9R0.2 C#CCCCSCC(C)O 62a_100011218427_100011215417 [0,1,0,0,0,0|1,0,2]=4 1747 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100009817552_100011215417 [0,1,0,0,0,0|1,0,2]=4 1748 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100011215417_100009817552 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.2 C#CCCNCCC(C)C 34a_100000755551_100000210312 [0,1,0,0,0,0|2,0,1]=4 1750 B9R0.2 C#CCCNCCC(C)O 2230a_200000755665_100000688953 [0,1,0,0,0,0|1,0,2]=4 1751 B9R0.2 C#CCCNCCC(C)O 34a_100000755551_100012276601 [0,1,0,0,0,0|1,0,2]=4 1752 B9R0.2 C#CCCOCCC(C)Br 34a_100009893172_100000688953 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [0,1,0,0,0,0|2,0,1]=4 1754 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.2 C#CCCOCCC(C)O 34a_100011215631_100012276601 [0,1,0,0,0,0|1,0,2]=4 1757 B9R0.2 C#CCCOCC[C@@H](C)N 34a_100000706166_100000688953 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.2 C#CCCSCCC(C)C 62a_100000210312_100000688953 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.2 C#CCCSCCC(C)C 62a_100000688953_100000210312 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.2 C#CCCSCCC(C)O 62a_100000688953_100012276601 [0,1,0,0,0,0|1,0,2]=4 1761 B9R0.2 C#CCCSCCC(C)O 62a_100012276601_100000688953 [0,1,0,0,0,0|1,0,2]=4 1762 B9R0.2 C#CCNCCCC(C)C 2230a_200000737386_100000038162 [0,1,0,0,0,0|2,0,1]=4 1763 B9R0.2 C#CCNCCCC(C)C 34a_100000212058_100011214892 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.2 C#CCNCCCC(C)C 34a_200000737386_100000184674 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.2 C#CCNCCCC(C)O 34a_100000212058_200000718107 [0,1,0,0,0,0|1,0,2]=4 1766 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [0,1,0,0,0,0|2,0,1]=4 1768 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [0,1,0,0,0,0|2,0,1]=4 1769 B9R0.2 C#CCOCCCC(C)O 34a_100000210247_200000718107 [0,1,0,0,0,0|1,0,2]=4 1770 B9R0.2 C#CCSCCCC(C)C 62a_100000038162_100011214892 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.2 C#CCSCCCC(C)O 62a_100000038162_200000718107 [0,1,0,0,0,0|1,0,2]=4 1772 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [0,1,0,0,0,0|1,0,2]=4 1773 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [0,1,0,0,0,0|1,0,2]=4 1774 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,1,0,0,0,0|1,0,2]=4 1775 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,1,0,0,0,0|1,0,2]=4 1776 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,1,0,0,0,0|1,0,2]=4 1777 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,1,0,0,0,0|1,0,2]=4 1779 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,1,0,0,0,0|2,0,1]=4 1782 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,1,0,0,0,0|2,0,1]=4 1783 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,1,0,0,0,0|2,0,1]=4 1789 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,1,0,0,0,0|2,0,1]=4 1791 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,1,0,0,0,0|1,0,1]=3 1792 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|2,0,1]=4 1793 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,1,0,0,0,0|2,0,1]=4 1795 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,1,0,0,0,0|2,0,1]=4 1796 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,1,0,0,0,0|1,0,1]=3 1797 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,1,0,0,0,0|1,0,1]=3 1798 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|2,0,1]=4 1799 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,1,0,0,0,0|1,0,1]=3 1800 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,1,0,0,0,0|1,0,1]=3 1801 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|2,0,1]=4 1802 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|2,0,1]=4 1803 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|2,0,1]=4 1804 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|1,0,1]=3 1813 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|2,0,1]=4 1814 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|2,0,1]=4 1815 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,1,0,0,0,0|2,0,1]=4 1816 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,1,0,0,0,0|2,0,1]=4 1817 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,1,0,0,0,0|1,0,1]=3 1818 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,1,0,0,0,0|1,0,1]=3 1819 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,1,0,0,0,0|1,0,2]=4 1821 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,1,0,0,0,0|1,0,2]=4 1822 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|2,0,1]=4 1823 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|2,0,1]=4 1824 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|2,0,1]=4 1825 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,1,0,0,0,0|1,0,2]=4 1826 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,1,0,0,0,0|1,0,2]=4 1829 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|1,0,2]=4 1831 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|1,0,2]=4 1832 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|1,0,2]=4 1833 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,1,0,0,0,0|2,0,1]=4 1834 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,1,0,0,0,0|2,0,1]=4 1837 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,1,0,0,0,0|2,0,1]=4 1838 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,1,0,0,0,0|2,0,1]=4 1841 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,1,0,0,0,0|2,0,1]=4 1843 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,1,0,0,0,0|2,0,1]=4 1844 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,1,0,0,0,0|2,0,1]=4 1845 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,1,0,0,0,0|2,0,1]=4 1846 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,1,0,0,0,0|2,0,1]=4 1847 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,1,0,0,0,0|2,0,1]=4 1848 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,1,0,0,0,0|2,0,1]=4 1849 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,1,0,0,0,0|1,0,2]=4 1850 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,1,0,0,0,0|1,0,2]=4 1851 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,1,0,0,0,0|1,0,2]=4 1852 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,1,0,0,0,0|1,0,2]=4 1853 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,1,0,0,0,0|1,0,2]=4 1854 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,1,0,0,0,0|1,0,2]=4 1855 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,1,0,0,0,0|2,0,1]=4 1856 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,1,0,0,0,0|2,0,1]=4 1857 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,1,0,0,0,0|2,0,1]=4 1858 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,1,0,0,0,0|2,0,1]=4 1859 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,1,0,0,0,0|2,0,1]=4 1860 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,1,0,0,0,0|1,0,2]=4 1861 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,1,0,0,0,0|1,0,2]=4 1862 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,1,0,0,0,0|1,0,2]=4 1865 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,1,0,0,0,0|1,0,2]=4 1866 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,1,0,0,0,0|1,0,2]=4 1869 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,1,0,0,0,0|1,0,2]=4 1870 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,1,0,0,0,0|1,0,2]=4 1871 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,1,0,0,0,0|1,0,2]=4 1872 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,1,0,0,0,0|2,0,1]=4 1874 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,1,0,0,0,0|1,0,2]=4 1875 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,1,0,0,0,0|1,0,2]=4 1876 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,1,0,0,0,0|2,0,1]=4 1877 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,1,0,0,0,0|2,0,1]=4 1878 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,1,0,0,0,0|2,0,1]=4 1879 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,1,0,0,0,0|2,0,1]=4 1880 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,1,0,0,0,0|1,0,2]=4 1881 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,1,0,0,0,0|2,0,1]=4 1882 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,1,0,0,0,0|2,0,1]=4 1883 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,1,0,0,0,0|2,0,1]=4 1884 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,1,0,0,0,0|1,0,2]=4 1885 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,1,0,0,0,0|1,0,2]=4 1886 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,1,0,0,0,0|2,0,1]=4 1887 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,1,0,0,0,0|2,0,1]=4 1888 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,1,0,0,0,0|2,0,1]=4 1889 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,1,0,0,0,0|1,0,2]=4 1890 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,1,0,0,0,0|2,0,1]=4 1891 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,1,0,0,0,0|2,0,1]=4 1892 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,1,0,0,0,0|2,0,1]=4 1893 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,1,0,0,0,0|1,0,2]=4 1894 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,1,0,0,0,0|2,0,1]=4 1895 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,1,0,0,0,0|2,0,1]=4 1896 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,1,0,0,0,0|1,0,2]=4 1897 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,1,0,0,0,0|1,0,2]=4 1898 B9R0.2 CC#CCCOCC(C)O 34a_100000750427_100011218427 [0,1,0,0,0,0|1,0,2]=4 1899 B9R0.2 CC#CCCOC[C@@H](C)O 34a_100000750427_100009817552 [0,1,0,0,0,0|1,0,2]=4 1900 B9R0.2 CC#CCNCCC(C)O 2230a_100000685387_100012276601 [0,1,0,0,0,0|1,0,2]=4 1901 B9R0.2 CC#CCNCCC(C)O 2230a_200000755665_100000748600 [0,1,0,0,0,0|1,0,2]=4 1902 B9R0.2 CC#CCNCCC(C)O 34a_100000685387_100012276601 [0,1,0,0,0,0|1,0,2]=4 1903 B9R0.2 CC#CCOCCC(C)O 34a_100000761923_100012276601 [0,1,0,0,0,0|1,0,2]=4 1904 B9R0.2 CC#CCSCCC(C)O 62a_100000748600_100012276601 [0,1,0,0,0,0|1,0,2]=4 1905 B9R0.2 CC#CCSCCC(C)O 62a_100012276601_100000748600 [0,1,0,0,0,0|1,0,2]=4 1906 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [0,1,0,0,0,0|1,0,2]=4 1907 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [0,1,0,0,0,0|1,0,2]=4 1908 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,1,0,0,0,0|1,0,2]=4 1909 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,1,0,0,0,0|1,0,2]=4 1910 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [0,1,0,0,0,0|1,0,2]=4 1911 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,1,0,0,0,0|1,0,2]=4 1912 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,1,0,0,0,0|1,0,2]=4 1913 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,1,0,0,0,0|1,0,2]=4 1914 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|1,0,2]=4 1915 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|1,0,1]=3 1916 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|0,0,1]=2 1917 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|0,0,1]=2 1918 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|2,0,1]=4 1919 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|2,0,1]=4 1920 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|2,0,1]=4 1921 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|1,0,1]=3 1922 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|2,0,1]=4 1923 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|2,0,1]=4 1924 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|2,0,1]=4 1925 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|2,0,1]=4 1926 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|1,0,1]=3 1927 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|1,0,1]=3 1928 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|2,0,1]=4 1929 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|2,0,1]=4 1930 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|1,0,1]=3 1931 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|1,0,1]=3 1932 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|2,0,1]=4 1933 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|2,0,1]=4 1934 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|1,0,1]=3 1935 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|1,0,1]=3 1936 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|2,0,1]=4 1937 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|2,0,1]=4 1938 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|1,0,1]=3 1939 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|1,0,1]=3 1940 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|2,0,1]=4 1941 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|1,0,1]=3 1942 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|1,0,1]=3 1943 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|2,0,1]=4 1944 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|2,0,1]=4 1947 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|2,0,1]=4 1948 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|2,0,1]=4 1949 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|2,0,1]=4 1950 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|2,0,1]=4 1951 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|2,0,1]=4 1952 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|2,0,1]=4 1953 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|2,0,1]=4 1954 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|2,0,1]=4 1955 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|2,0,1]=4 1956 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,1,0,0,0,0|2,0,0]=3 1957 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,1,0,0,0,0|1,0,0]=2 1958 B9R0.2 CC(Br)COCC#CCO 34a_100012180447_200000047223 [0,1,0,0,0,0|1,0,2]=4 1959 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,1,0,0,0,0|1,0,0]=2 1961 B9R0.2 CC(C)CC=NNCCO 4a_100000210001_100000185833 [0,1,0,0,0,0|2,0,1]=4 1962 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|2,0,0]=3 1963 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|2,0,0]=3 1964 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,1,0,0,0,0|2,0,0]=3 1965 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,1,0,0,0,0|2,0,0]=3 1966 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|2,0,0]=3 1967 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|2,0,0]=3 1968 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,1,0,0,0,0|2,0,0]=3 1969 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,1,0,0,0,0|2,0,0]=3 1970 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,1,0,0,0,0|2,0,0]=3 1971 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,1,0,0,0,0|2,0,0]=3 1972 B9R0.2 CC(C)CCCNCC#N 2230a_200000737386_100011215382 [0,1,0,0,0,0|2,0,1]=4 1973 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,1,0,0,0,0|1,0,2]=4 1974 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,1,0,0,0,0|1,0,2]=4 1975 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [0,1,0,0,0,0|2,0,0]=3 1976 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [0,1,0,0,0,0|2,0,0]=3 1977 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [0,1,0,0,0,0|2,0,0]=3 1978 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,1,0,0,0,0|1,0,0]=2 1979 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,1,0,0,0,0|1,0,0]=2 1980 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,1,0,0,0,0|1,0,0]=2 1981 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,1,0,0,0,0|1,0,0]=2 1982 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [0,1,0,0,0,0|2,0,1]=4 1983 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,1,0,0,0,0|1,0,2]=4 1984 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,1,0,0,0,0|1,0,2]=4 1985 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,1,0,0,0,0|2,0,0]=3 1986 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,1,0,0,0,0|2,0,0]=3 1987 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,1,0,0,0,0|2,0,0]=3 1988 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,1,0,0,0,0|2,0,0]=3 1989 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,1,0,0,0,0|1,0,0]=2 1990 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,1,0,0,0,0|1,0,0]=2 1991 B9R0.2 CC(C)CCCSCC#N 62a_100011214892_100011215382 [0,1,0,0,0,0|2,0,1]=4 1992 B9R0.2 CC(C)CCCSCC#N 62a_100011215382_100011214892 [0,1,0,0,0,0|2,0,1]=4 1993 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,1,0,0,0,0|1,0,2]=4 1994 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,1,0,0,0,0|1,0,2]=4 1995 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,1,0,0,0,0|2,0,0]=3 1996 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,1,0,0,0,0|2,0,0]=3 1997 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,1,0,0,0,0|1,0,0]=2 1998 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,1,0,0,0,0|1,0,0]=2 1999 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [0,1,0,0,0,0|2,0,0]=3 2000 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [0,1,0,0,0,0|2,0,0]=3 2001 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [0,1,0,0,0,0|2,0,0]=3 2002 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,1,0,0,0,0|1,0,0]=2 2003 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [0,1,0,0,0,0|2,0,1]=4 2004 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,1,0,0,0,0|2,0,0]=3 2005 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,1,0,0,0,0|2,0,0]=3 2006 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,1,0,0,0,0|2,0,0]=3 2008 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,1,0,0,0,0|2,0,0]=3 2009 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,1,0,0,0,0|2,0,0]=3 2010 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,1,0,0,0,0|1,0,0]=2 2011 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,1,0,0,0,0|1,0,0]=2 2012 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [0,1,0,0,0,0|3,0,0]=4 2013 B9R0.2 CC(C)CCSCCC#N 62a_100000210312_100011215226 [0,1,0,0,0,0|2,0,1]=4 2014 B9R0.2 CC(C)CCSCCC#N 62a_100011215226_100000210312 [0,1,0,0,0,0|2,0,1]=4 2015 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [0,1,0,0,0,0|2,0,0]=3 2016 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [0,1,0,0,0,0|2,0,0]=3 2017 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,1,0,0,0,0|1,0,0]=2 2018 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,1,0,0,0,0|1,0,0]=2 2019 B9R0.2 CC(C)CNCC#CCO 2230a_100000210953_200000047223 [0,1,0,0,0,0|1,0,2]=4 2020 B9R0.2 CC(C)CNCC#CCO 34a_100000210953_200000047223 [0,1,0,0,0,0|1,0,2]=4 2021 B9R0.2 CC(C)CNCCCC#N 2230a_100000210953_100000687738 [0,1,0,0,0,0|2,0,1]=4 2022 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,1,0,0,0,0|1,0,2]=4 2023 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [0,1,0,0,0,0|2,0,0]=3 2024 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [0,1,0,0,0,0|2,0,0]=3 2025 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,1,0,0,0,0|1,0,0]=2 2026 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,1,0,0,0,0|1,0,0]=2 2027 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,1,0,0,0,0|1,0,0]=2 2028 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,1,0,0,0,0|1,0,0]=2 2029 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,1,0,0,0,0|1,0,0]=2 2030 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [0,1,0,0,0,0|3,0,0]=4 2031 B9R0.2 CC(C)COCC#CCO 34a_100000210257_200000047223 [0,1,0,0,0,0|1,0,2]=4 2032 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [0,1,0,0,0,0|2,0,0]=3 2033 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [0,1,0,0,0,0|2,0,0]=3 2034 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [0,1,0,0,0,0|2,0,0]=3 2035 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [0,1,0,0,0,0|2,0,0]=3 2036 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [0,1,0,0,0,0|2,0,0]=3 2037 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [0,1,0,0,0,0|2,0,0]=3 2038 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [0,1,0,0,0,0|2,0,0]=3 2039 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,1,0,0,0,0|2,0,0]=3 2040 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,1,0,0,0,0|1,0,0]=2 2041 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,1,0,0,0,0|3,0,0]=4 2042 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,1,0,0,0,0|3,0,0]=4 2043 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [0,1,0,0,0,0|3,0,0]=4 2044 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [0,1,0,0,0,0|3,0,0]=4 2045 B9R0.2 CC(C)CSCC#CCO 62a_100000210624_200000047223 [0,1,0,0,0,0|1,0,2]=4 2046 B9R0.2 CC(C)CSCC#CCO 62a_200000047223_100000210760 [0,1,0,0,0,0|1,0,2]=4 2047 B9R0.2 CC(C)CSCCCC#N 62a_100000210624_100000687738 [0,1,0,0,0,0|2,0,1]=4 2048 B9R0.2 CC(C)CSCCCC#N 62a_100000687738_100000210760 [0,1,0,0,0,0|2,0,1]=4 2049 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,1,0,0,0,0|1,0,2]=4 2050 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,1,0,0,0,0|1,0,2]=4 2051 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [0,1,0,0,0,0|2,0,0]=3 2052 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [0,1,0,0,0,0|2,0,0]=3 2053 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,1,0,0,0,0|1,0,0]=2 2054 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,1,0,0,0,0|1,0,0]=2 2055 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [0,1,0,0,0,0|3,0,0]=4 2056 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [0,1,0,0,0,0|3,0,0]=4 2057 B9R0.2 CC(C)NCCCCC#N 2230a_100138425928_100000211819 [0,1,0,0,0,0|2,0,1]=4 2058 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,1,0,0,0,0|1,0,2]=4 2059 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [0,1,0,0,0,0|2,0,0]=3 2060 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [0,1,0,0,0,0|2,0,0]=3 2061 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,1,0,0,0,0|1,0,0]=2 2062 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,1,0,0,0,0|1,0,0]=2 2063 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,1,0,0,0,0|1,0,0]=2 2064 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,1,0,0,0,0|1,0,0]=2 2065 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 2066 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [0,1,0,0,0,0|3,0,0]=4 2067 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [0,1,0,0,0,0|3,0,0]=4 2068 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [0,1,0,0,0,0|2,0,0]=3 2069 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [0,1,0,0,0,0|2,0,0]=3 2070 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [0,1,0,0,0,0|2,0,0]=3 2071 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [0,1,0,0,0,0|2,0,0]=3 2072 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [0,1,0,0,0,0|2,0,0]=3 2073 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [0,1,0,0,0,0|2,0,0]=3 2074 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,1,0,0,0,0|2,0,0]=3 2075 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,1,0,0,0,0|2,0,0]=3 2076 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,1,0,0,0,0|2,0,0]=3 2077 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,1,0,0,0,0|2,0,0]=3 2078 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,1,0,0,0,0|2,0,0]=3 2079 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,1,0,0,0,0|2,0,0]=3 2080 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,1,0,0,0,0|2,0,0]=3 2081 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,0]=3 2082 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,1,0,0,0,0|1,0,0]=2 2083 B9R0.2 CC(C)OCCCNCF 34a_100000737246_100015361967 [0,1,0,0,0,0|3,0,0]=4 2084 B9R0.2 CC(C)OCCNCCF 2230a_100000701111_100011217306 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.2 CC(C)OCCNCCF 34a_100000701111_100011217306 [0,1,0,0,0,0|3,0,0]=4 2086 B9R0.2 CC(C)OCCNCCF 34a_100000724931_100000211751 [0,1,0,0,0,0|3,0,0]=4 2087 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [0,1,0,0,0,0|2,0,0]=3 2088 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [0,1,0,0,0,0|2,0,0]=3 2089 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [0,1,0,0,0,0|2,0,0]=3 2090 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [0,1,0,0,0,0|2,0,0]=3 2091 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [0,1,0,0,0,0|3,0,0]=4 2092 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [0,1,0,0,0,0|3,0,0]=4 2093 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [0,1,0,0,0,0|3,0,0]=4 2094 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [0,1,0,0,0,0|3,0,0]=4 2095 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [0,1,0,0,0,0|3,0,0]=4 2096 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [0,1,0,0,0,0|3,0,0]=4 2097 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [0,1,0,0,0,0|3,0,0]=4 2098 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [0,1,0,0,0,0|3,0,0]=4 2099 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [0,1,0,0,0,0|3,0,0]=4 2100 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [0,1,0,0,0,0|3,0,0]=4 2101 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [0,1,0,0,0,0|3,0,0]=4 2102 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [0,1,0,0,0,0|3,0,0]=4 2103 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [0,1,0,0,0,0|3,0,0]=4 2104 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,1,0,0,0,0|2,0,0]=3 2105 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,1,0,0,0,0|2,0,0]=3 2106 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,1,0,0,0,0|2,0,0]=3 2107 B9R0.2 CC(C)OCCSCCF 62a_100000211751_100011217306 [0,1,0,0,0,0|3,0,0]=4 2108 B9R0.2 CC(C)OCCSCCF 62a_100011217306_100000211751 [0,1,0,0,0,0|3,0,0]=4 2109 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,1,0,0,0,0|2,0,0]=3 2110 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,1,0,0,0,0|2,0,0]=3 2111 B9R0.2 CC(C)OCNCCCF 2230a_100015189416_100000709892 [0,1,0,0,0,0|3,0,0]=4 2112 B9R0.2 CC(C)OCNCCCF 34a_100015189416_100000709892 [0,1,0,0,0,0|3,0,0]=4 2113 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [0,1,0,0,0,0|3,0,0]=4 2114 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [0,1,0,0,0,0|3,0,0]=4 2115 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [0,1,0,0,0,0|3,0,0]=4 2116 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [0,1,0,0,0,0|3,0,0]=4 2117 B9R0.2 CC(C)OCSCCCF 62a_100000709892_100011934791 [0,1,0,0,0,0|3,0,0]=4 2118 B9R0.2 CC(C)OCSCCCF 62a_100011934791_100000709892 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [0,1,0,0,0,0|2,0,0]=3 2120 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [0,1,0,0,0,0|2,0,0]=3 2121 B9R0.2 CC(C)SCCCCC#N 62a_100000210206_100000211819 [0,1,0,0,0,0|2,0,1]=4 2122 B9R0.2 CC(C)SCCCCC#N 62a_100011219923_100000210206 [0,1,0,0,0,0|2,0,1]=4 2123 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,1,0,0,0,0|1,0,2]=4 2124 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,1,0,0,0,0|1,0,2]=4 2125 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [0,1,0,0,0,0|2,0,0]=3 2126 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [0,1,0,0,0,0|2,0,0]=3 2127 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,1,0,0,0,0|1,0,0]=2 2128 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,1,0,0,0,0|1,0,0]=2 2129 B9R0.2 CC(C)SCCNCCF 2230a_100000731138_100011217306 [0,1,0,0,0,0|3,0,0]=4 2130 B9R0.2 CC(C)SCCNCCF 34a_100000724931_100000730970 [0,1,0,0,0,0|3,0,0]=4 2131 B9R0.2 CC(C)SCCNCCF 34a_100000731138_100011217306 [0,1,0,0,0,0|3,0,0]=4 2132 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [0,1,0,0,0,0|2,0,0]=3 2133 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [0,1,0,0,0,0|2,0,0]=3 2134 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [0,1,0,0,0,0|2,0,0]=3 2135 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [0,1,0,0,0,0|2,0,0]=3 2136 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [0,1,0,0,0,0|3,0,0]=4 2137 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [0,1,0,0,0,0|3,0,0]=4 2138 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [0,1,0,0,0,0|3,0,0]=4 2139 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [0,1,0,0,0,0|3,0,0]=4 2140 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [0,1,0,0,0,0|2,0,0]=3 2141 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [0,1,0,0,0,0|2,0,0]=3 2142 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [0,1,0,0,0,0|2,0,0]=3 2143 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [0,1,0,0,0,0|2,0,0]=3 2144 B9R0.2 CC(C)SCCSCCF 62a_100000730970_100011217306 [0,1,0,0,0,0|3,0,0]=4 2145 B9R0.2 CC(C)SCCSCCF 62a_100011217306_100000730970 [0,1,0,0,0,0|3,0,0]=4 2146 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [0,1,0,0,0,0|2,0,0]=3 2147 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [0,1,0,0,0,0|2,0,0]=3 2148 B9R0.2 CC(F)COCC#CCO 34a_100015925927_200000047223 [0,1,0,0,0,0|1,0,2]=4 2149 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [0,1,0,0,0,0|2,0,0]=3 2150 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,1,0,0,0,0|1,0,0]=2 2151 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,1,0,0,0,0|2,0,0]=3 2152 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,1,0,0,0,0|1,0,0]=2 2153 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,1,0,0,0,0|1,0,0]=2 2154 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,1,0,0,0,0|2,0,0]=3 2155 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,1,0,0,0,0|2,0,0]=3 2156 B9R0.2 CC(O)CCCSCC#N 62a_100011215382_200000718107 [0,1,0,0,0,0|2,0,1]=4 2157 B9R0.2 CC(O)CCCSCC#N 62a_200000718107_100011215382 [0,1,0,0,0,0|2,0,1]=4 2158 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,1,0,0,0,0|1,0,2]=4 2159 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,1,0,0,0,0|1,0,2]=4 2160 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,1,0,0,0,0|2,0,0]=3 2161 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,1,0,0,0,0|2,0,0]=3 2162 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,1,0,0,0,0|1,0,0]=2 2163 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,1,0,0,0,0|1,0,0]=2 2164 B9R0.2 CC(O)CCNCCC#N 2230a_200000755665_100011215226 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,1,0,0,0,0|2,0,0]=3 2166 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,1,0,0,0,0|2,0,0]=3 2167 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,1,0,0,0,0|2,0,0]=3 2168 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,0,0,0,0|1,0,0]=2 2169 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,1,0,0,0,0|2,0,0]=3 2170 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,1,0,0,0,0|2,0,0]=3 2171 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,1,0,0,0,0|2,0,0]=3 2172 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,1,0,0,0,0|2,0,0]=3 2173 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,1,0,0,0,0|3,0,0]=4 2174 B9R0.2 CC(O)CCSCCC#N 62a_100011215226_100012276601 [0,1,0,0,0,0|2,0,1]=4 2175 B9R0.2 CC(O)CCSCCC#N 62a_100012276601_100011215226 [0,1,0,0,0,0|2,0,1]=4 2176 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,1,0,0,0,0|2,0,0]=3 2177 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,1,0,0,0,0|2,0,0]=3 2178 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,1,0,0,0,0|1,0,0]=2 2179 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,1,0,0,0,0|1,0,0]=2 2180 B9R0.2 CC(O)CNCC#CCO 2230a_100000210904_200000047223 [0,1,0,0,0,0|1,0,2]=4 2181 B9R0.2 CC(O)CNCC#CCO 34a_100000210904_200000047223 [0,1,0,0,0,0|1,0,2]=4 2182 B9R0.2 CC(O)CNCCCC#N 2230a_100000210904_100000687738 [0,1,0,0,0,0|2,0,1]=4 2183 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,1,0,0,0,0|1,0,2]=4 2184 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,1,0,0,0,0|2,0,0]=3 2185 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|2,0,0]=3 2186 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,1,0,0,0,0|1,0,0]=2 2187 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,1,0,0,0,0|1,0,0]=2 2188 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|1,0,0]=2 2189 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,0]=2 2190 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,1,0,0,0,0|2,0,0]=3 2191 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,1,0,0,0,0|2,0,0]=3 2192 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,1,0,0,0,0|2,0,0]=3 2193 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,1,0,0,0,0|2,0,0]=3 2194 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,1,0,0,0,0|2,0,0]=3 2195 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,1,0,0,0,0|2,0,0]=3 2196 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,1,0,0,0,0|2,0,0]=3 2197 B9R0.2 CC(O)CSCC#CCO 62a_100011218427_200000047223 [0,1,0,0,0,0|1,0,2]=4 2198 B9R0.2 CC(O)CSCC#CCO 62a_200000047223_100011218427 [0,1,0,0,0,0|1,0,2]=4 2199 B9R0.2 CC(O)CSCCCC#N 62a_100000687738_100011218427 [0,1,0,0,0,0|2,0,1]=4 2200 B9R0.2 CC(O)CSCCCC#N 62a_100011218427_100000687738 [0,1,0,0,0,0|2,0,1]=4 2201 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,1,0,0,0,0|1,0,2]=4 2202 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,1,0,0,0,0|1,0,2]=4 2203 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,1,0,0,0,0|2,0,0]=3 2204 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,1,0,0,0,0|2,0,0]=3 2205 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,1,0,0,0,0|1,0,0]=2 2206 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,1,0,0,0,0|1,0,0]=2 2207 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [0,1,0,0,0,0|1,0,2]=4 2208 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [0,1,0,0,0,0|1,0,2]=4 2209 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [0,1,0,0,0,0|1,0,2]=4 2210 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [0,1,0,0,0,0|1,0,2]=4 2211 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,1,0,0,0,0|1,0,2]=4 2212 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,1,0,0,0,0|1,0,2]=4 2213 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,1,0,0,0,0|1,0,2]=4 2214 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,1,0,0,0,0|1,0,2]=4 2215 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [0,1,0,0,0,0|1,0,2]=4 2216 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,1,0,0,0,0|1,0,2]=4 2217 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,1,0,0,0,0|1,0,2]=4 2218 B9R0.2 CCC#CCNCC(C)O 2230a_100000210904_100009813939 [0,1,0,0,0,0|1,0,2]=4 2219 B9R0.2 CCC#CCNCC(C)O 34a_100000210904_100009813939 [0,1,0,0,0,0|1,0,2]=4 2220 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [0,1,0,0,0,0|1,0,2]=4 2221 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [0,1,0,0,0,0|1,0,2]=4 2222 B9R0.2 CCC#CCSCC(C)O 62a_100009813939_100011218427 [0,1,0,0,0,0|1,0,2]=4 2223 B9R0.2 CCC#CCSCC(C)O 62a_100011218427_100009813939 [0,1,0,0,0,0|1,0,2]=4 2224 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009813939_100009817552 [0,1,0,0,0,0|1,0,2]=4 2225 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009817552_100009813939 [0,1,0,0,0,0|1,0,2]=4 2226 B9R0.2 CCCC=NNCC(C)O 4a_200000730056_100000185831 [0,1,0,0,0,0|2,0,1]=4 2227 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|0,0,2]=3 2228 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|0,0,2]=3 2229 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|0,0,2]=3 2230 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2231 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2232 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2233 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2234 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2235 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2236 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|1,0,2]=4 2237 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|1,0,2]=4 2238 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|1,0,2]=4 2239 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|1,0,2]=4 2240 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,0,0,0,0|2,0,0]=3 2241 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,0,0,0,0|2,0,0]=3 2242 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,0,0,0,0|2,0,0]=3 2243 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|2,0,0]=3 2244 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|2,0,0]=3 2245 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|2,0,0]=3 2246 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,1,0,0,0,0|2,0,0]=3 2247 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,1,0,0,0,0|2,0,0]=3 2248 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|1,0,2]=4 2249 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|1,0,2]=4 2250 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|1,0,1]=3 2251 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,1,0,0,0,0|2,0,0]=3 2252 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,1,0,0,0,0|2,0,0]=3 2253 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,1,0,0,0,0|2,0,0]=3 2254 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,1,0,0,0,0|2,0,0]=3 2255 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,0,0,0,0|1,0,0]=2 2256 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,0,0,0,0|1,0,0]=2 2257 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,0,0,0,0|1,0,0]=2 2258 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,1,0,0,0,0|2,0,0]=3 2259 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,1,0,0,0,0|2,0,0]=3 2260 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,0,0,0,0|1,0,0]=2 2261 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|1,0,2]=4 2262 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 2263 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 2264 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|1,0,2]=4 2265 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,1,0,0,0,0|2,0,0]=3 2266 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,1,0,0,0,0|2,0,0]=3 2267 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,1,0,0,0,0|2,0,0]=3 2268 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,1,0,0,0,0|2,0,0]=3 2269 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,1,0,0,0,0|2,0,0]=3 2270 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|1,0,0]=2 2271 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|1,0,0]=2 2272 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,1,0,0,0,0|2,0,0]=3 2273 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,1,0,0,0,0|2,0,0]=3 2274 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,1,0,0,0,0|2,0,0]=3 2275 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,1,0,0,0,0|2,0,0]=3 2276 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,1,0,0,0,0|2,0,0]=3 2277 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|1,0,0]=2 2278 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|1,0,0]=2 2279 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|2,0,1]=4 2280 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|1,0,2]=4 2281 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|1,0,2]=4 2282 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|1,0,2]=4 2283 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|1,0,2]=4 2284 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,1,0,0,0,0|2,0,0]=3 2285 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,1,0,0,0,0|2,0,0]=3 2286 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,0,0,0,0|1,0,0]=2 2287 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,0,0,0,0|1,0,0]=2 2288 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,1,0,0,0,0|2,0,0]=3 2289 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,1,0,0,0,0|2,0,0]=3 2290 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,0,0,0,0|1,0,0]=2 2291 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,0,0,0,0|1,0,0]=2 2292 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,0,0,0,0|2,0,1]=4 2293 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|1,0,2]=4 2294 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|1,0,2]=4 2295 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|1,0,2]=4 2296 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,1,0,0,0,0|2,0,0]=3 2297 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,1,0,0,0,0|2,0,0]=3 2298 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,1,0,0,0,0|2,0,0]=3 2299 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|1,0,0]=2 2300 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|1,0,0]=2 2301 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|1,0,0]=2 2302 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,1,0,0,0,0|3,0,0]=4 2303 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,1,0,0,0,0|3,0,0]=4 2304 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|2,0,1]=4 2305 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|1,0,2]=4 2306 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|1,0,2]=4 2307 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|1,0,2]=4 2308 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|1,0,2]=4 2309 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|1,0,2]=4 2310 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|1,0,2]=4 2311 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|1,0,2]=4 2312 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|1,0,2]=4 2313 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,1,0,0,0,0|2,0,0]=3 2314 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,1,0,0,0,0|2,0,0]=3 2315 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,1,0,0,0,0|2,0,0]=3 2316 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,1,0,0,0,0|2,0,0]=3 2317 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,1,0,0,0,0|2,0,0]=3 2318 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|1,0,0]=2 2319 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|1,0,0]=2 2320 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,1,0,0,0,0|2,0,0]=3 2321 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,1,0,0,0,0|3,0,0]=4 2322 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,1,0,0,0,0|3,0,0]=4 2323 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,1,0,0,0,0|3,0,0]=4 2324 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,1,0,0,0,0|2,0,0]=3 2325 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [0,1,0,0,0,0|3,0,0]=4 2326 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [0,1,0,0,0,0|3,0,0]=4 2327 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,1,0,0,0,0|3,0,0]=4 2328 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,1,0,0,0,0|3,0,0]=4 2329 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [0,1,0,0,0,0|3,0,0]=4 2330 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [0,1,0,0,0,0|3,0,0]=4 2331 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|1,0,2]=4 2332 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|1,0,2]=4 2333 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|1,0,2]=4 2334 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|1,0,2]=4 2335 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,1,0,0,0,0|2,0,0]=3 2336 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,1,0,0,0,0|2,0,0]=3 2337 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|1,0,0]=2 2338 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|1,0,0]=2 2339 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,1,0,0,0,0|3,0,0]=4 2340 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,1,0,0,0,0|3,0,0]=4 2341 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,1,0,0,0,0|3,0,0]=4 2342 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|1,0,2]=4 2343 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,1,0,0,0,0|2,0,0]=3 2344 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,1,0,0,0,0|2,0,0]=3 2345 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|2,0,1]=4 2346 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,1,0,0,0,0|3,0,0]=4 2347 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,1,0,0,0,0|3,0,0]=4 2348 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [0,1,0,0,0,0|3,0,0]=4 2349 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [0,1,0,0,0,0|3,0,0]=4 2350 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|1,0,2]=4 2351 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|1,0,2]=4 2352 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|1,0,2]=4 2353 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|1,0,2]=4 2354 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,1,0,0,0,0|2,0,0]=3 2355 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,1,0,0,0,0|2,0,0]=3 2356 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,1,0,0,0,0|2,0,0]=3 2357 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,0,0,0,0|1,0,0]=2 2358 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,0,0,0,0|2,0,1]=4 2359 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,1,0,0,0,0|3,0,0]=4 2360 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,1,0,0,0,0|3,0,0]=4 2361 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,1,0,0,0,0|3,0,0]=4 2362 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,1,0,0,0,0|3,0,0]=4 2363 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,1,0,0,0,0|3,0,0]=4 2364 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,1,0,0,0,0|3,0,0]=4 2365 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,1,0,0,0,0|3,0,0]=4 2366 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,1,0,0,0,0|3,0,0]=4 2367 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,1,0,0,0,0|3,0,0]=4 2368 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,1,0,0,0,0|3,0,0]=4 2369 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,1,0,0,0,0|3,0,0]=4 2370 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,1,0,0,0,0|3,0,0]=4 2371 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,1,0,0,0,0|3,0,0]=4 2372 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,1,0,0,0,0|3,0,0]=4 2373 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,1,0,0,0,0|3,0,0]=4 2374 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,1,0,0,0,0|3,0,0]=4 2375 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|1,0,2]=4 2376 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|1,0,2]=4 2377 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|1,0,2]=4 2378 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|1,0,2]=4 2379 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,1,0,0,0,0|2,0,0]=3 2380 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,1,0,0,0,0|2,0,0]=3 2381 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,0,0,0,0|1,0,0]=2 2382 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,0,0,0,0|1,0,0]=2 2383 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,1,0,0,0,0|3,0,0]=4 2384 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [0,1,0,0,0,0|3,0,0]=4 2385 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,1,0,0,0,0|3,0,0]=4 2386 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,1,0,0,0,0|3,0,0]=4 2387 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,1,0,0,0,0|3,0,0]=4 2388 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,1,0,0,0,0|3,0,0]=4 2389 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [0,1,0,0,0,0|3,0,0]=4 2390 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [0,1,0,0,0,0|3,0,0]=4 2391 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,0,0,0,0|2,0,0]=3 2392 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|1,0,2]=4 2393 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,0,0,0,0|2,0,0]=3 2394 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,1,0,0,0,0|3,0,0]=4 2395 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,1,0,0,0,0|3,0,0]=4 2396 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|2,0,1]=4 2397 B9R0.2 CCNCCOCC(F)F 2230a_100015525214_200012177212 [0,1,0,0,0,0|3,0,0]=4 2398 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,0,0,0,0|2,0,0]=3 2399 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|1,0,2]=4 2400 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|1,0,2]=4 2401 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|1,0,2]=4 2402 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,0,0,0,0|2,0,0]=3 2403 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,0,0,0,0|2,0,0]=3 2404 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,0,0,0,0|2,0,0]=3 2405 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,0,0,0,0|2,0,1]=4 2406 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,0,0,0,0|2,0,1]=4 2407 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,1,0,0,0,0|3,0,0]=4 2408 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,1,0,0,0,0|3,0,0]=4 2409 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,1,0,0,0,0|3,0,0]=4 2410 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,1,0,0,0,0|3,0,0]=4 2411 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,1,0,0,0,0|3,0,0]=4 2412 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,1,0,0,0,0|3,0,0]=4 2413 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,1,0,0,0,0|3,0,0]=4 2414 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,1,0,0,0,0|3,0,0]=4 2415 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,1,0,0,0,0|3,0,0]=4 2416 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,1,0,0,0,0|3,0,0]=4 2417 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|2,0,1]=4 2418 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,1,0,0,0,0|3,0,0]=4 2419 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,1,0,0,0,0|3,0,0]=4 2420 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,1,0,0,0,0|3,0,0]=4 2421 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,1,0,0,0,0|3,0,0]=4 2422 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,1,0,0,0,0|3,0,0]=4 2423 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,1,0,0,0,0|3,0,0]=4 2424 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,1,0,0,0,0|2,0,0]=3 2425 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,1,0,0,0,0|2,0,0]=3 2426 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,1,0,0,0,0|2,0,0]=3 2427 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,1,0,0,0,0|2,0,0]=3 2428 B9R0.2 CCOCCNCC(F)F 2230a_102516460346_100011934356 [0,1,0,0,0,0|3,0,0]=4 2429 B9R0.2 CCOCCNCC(F)F 34a_100000765723_100000210147 [0,1,0,0,0,0|3,0,0]=4 2430 B9R0.2 CCOCCNCC(F)F 34a_102516460346_100011934356 [0,1,0,0,0,0|3,0,0]=4 2431 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,1,0,0,0,0|2,0,0]=3 2432 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,1,0,0,0,0|2,0,0]=3 2433 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [0,1,0,0,0,0|3,0,0]=4 2434 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,1,0,0,0,0|3,0,0]=4 2435 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,1,0,0,0,0|3,0,0]=4 2436 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,1,0,0,0,0|3,0,0]=4 2437 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,1,0,0,0,0|3,0,0]=4 2438 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,1,0,0,0,0|3,0,0]=4 2439 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [0,1,0,0,0,0|3,0,0]=4 2440 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,1,0,0,0,0|2,0,0]=3 2441 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,1,0,0,0,0|2,0,0]=3 2442 B9R0.2 CCOCCOCC(F)F 34a_100000210136_100011934356 [0,1,0,0,0,0|3,0,0]=4 2443 B9R0.2 CCOCCOCC(F)F 34a_100000704375_100000210202 [0,1,0,0,0,0|3,0,0]=4 2444 B9R0.2 CCOCCOCC(F)F 34a_100000743014_100000210147 [0,1,0,0,0,0|3,0,0]=4 2445 B9R0.2 CCOCCOCC(F)F 34a_100121572206_200012177212 [0,1,0,0,0,0|3,0,0]=4 2446 B9R0.2 CCOCCOCC(F)F 7a_100000210136_100011934356 [0,1,0,0,0,0|3,0,0]=4 2447 B9R0.2 CCOCCOCC(F)F 7a_100000704375_100000210202 [0,1,0,0,0,0|3,0,0]=4 2448 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [0,1,0,0,0,0|3,0,0]=4 2449 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [0,1,0,0,0,0|3,0,0]=4 2450 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,1,0,0,0,0|2,0,0]=3 2451 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,1,0,0,0,0|2,0,0]=3 2452 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,1,0,0,0,0|3,0,0]=4 2453 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,1,0,0,0,0|3,0,0]=4 2454 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,1,0,0,0,0|3,0,0]=4 2455 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,1,0,0,0,0|3,0,0]=4 2456 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.2 CCOCCSCC(F)F 62a_100000210147_100011934356 [0,1,0,0,0,0|3,0,0]=4 2459 B9R0.2 CCOCCSCC(F)F 62a_100011934356_100011215890 [0,1,0,0,0,0|3,0,0]=4 2460 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,1,0,0,0,0|2,0,0]=3 2461 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,1,0,0,0,0|2,0,0]=3 2462 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,1,0,0,0,0|3,0,0]=4 2463 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,1,0,0,0,0|3,0,0]=4 2464 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,1,0,0,0,0|2,0,0]=3 2465 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,1,0,0,0,0|2,0,0]=3 2466 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,0,0,0,0|2,0,0]=3 2467 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,0,0,0,0|2,0,0]=3 2468 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|1,0,2]=4 2469 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|1,0,2]=4 2470 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|2,0,0]=3 2471 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|2,0,0]=3 2472 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,1,0,0,0,0|3,0,0]=4 2473 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,1,0,0,0,0|3,0,0]=4 2474 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,1,0,0,0,0|3,0,0]=4 2475 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|2,0,1]=4 2476 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [0,1,0,0,0,0|3,0,0]=4 2477 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [0,1,0,0,0,0|3,0,0]=4 2478 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [0,1,0,0,0,0|3,0,0]=4 2479 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [0,1,0,0,0,0|3,0,0]=4 2480 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,1,0,0,0,0|2,0,0]=3 2481 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,1,0,0,0,0|2,0,0]=3 2482 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,1,0,0,0,0|2,0,0]=3 2483 B9R0.2 CCSCCNCC(F)F 2230a_100000106463_100011934356 [0,1,0,0,0,0|3,0,0]=4 2484 B9R0.2 CCSCCNCC(F)F 34a_100000765723_100000757381 [0,1,0,0,0,0|3,0,0]=4 2485 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,1,0,0,0,0|2,0,0]=3 2486 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [0,1,0,0,0,0|3,0,0]=4 2487 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [0,1,0,0,0,0|3,0,0]=4 2488 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [0,1,0,0,0,0|3,0,0]=4 2489 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [0,1,0,0,0,0|3,0,0]=4 2490 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [0,1,0,0,0,0|3,0,0]=4 2491 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,1,0,0,0,0|2,0,0]=3 2492 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,1,0,0,0,0|2,0,0]=3 2493 B9R0.2 CCSCCOCC(F)F 34a_100000212035_100011934356 [0,1,0,0,0,0|3,0,0]=4 2494 B9R0.2 CCSCCOCC(F)F 34a_100000743014_100000757381 [0,1,0,0,0,0|3,0,0]=4 2495 B9R0.2 CCSCCOCC(F)F 62a_100000210202_200012177212 [0,1,0,0,0,0|3,0,0]=4 2496 B9R0.2 CCSCCOCC(F)F 62a_200012177212_100000210202 [0,1,0,0,0,0|3,0,0]=4 2497 B9R0.2 CCSCCOCC(F)F 7a_100000212035_100011934356 [0,1,0,0,0,0|3,0,0]=4 2498 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [0,1,0,0,0,0|3,0,0]=4 2499 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [0,1,0,0,0,0|3,0,0]=4 2500 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,1,0,0,0,0|2,0,0]=3 2501 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,1,0,0,0,0|2,0,0]=3 2502 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [0,1,0,0,0,0|3,0,0]=4 2503 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [0,1,0,0,0,0|3,0,0]=4 2504 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,1,0,0,0,0|2,0,0]=3 2505 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,1,0,0,0,0|2,0,0]=3 2506 B9R0.2 CCSCCSCC(F)F 62a_100000757381_100011934356 [0,1,0,0,0,0|3,0,0]=4 2507 B9R0.2 CCSCCSCC(F)F 62a_100011934356_100000757381 [0,1,0,0,0,0|3,0,0]=4 2508 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,1,0,0,0,0|2,0,0]=3 2509 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,1,0,0,0,0|2,0,0]=3 2510 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 2511 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,1,0,0,0,0|1,0,2]=4 2513 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,1,0,0,0,0|1,0,2]=4 2514 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,1,0,0,0,0|2,0,0]=3 2515 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,1,0,0,0,0|2,0,0]=3 2516 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,1,0,0,0,0|1,0,0]=2 2517 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,1,0,0,0,0|1,0,0]=2 2518 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [0,1,0,0,0,0|3,0,0]=4 2519 B9R0.2 CN(C)CCCSCCF 62a_100011217306_100000757444 [0,1,0,0,0,0|3,0,0]=4 2520 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,1,0,0,0,0|2,0,0]=3 2521 B9R0.2 CN(C)CCSCCCF 62a_100011934791_100000755713 [0,1,0,0,0,0|3,0,0]=4 2522 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,1,0,0,0,0|2,0,0]=3 2523 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,0,0,0,0|2,0,0]=3 2524 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,0,0,0,0|2,0,0]=3 2525 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,0,0,0,0|2,0,0]=3 2526 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|1,0,2]=4 2527 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|1,0,2]=4 2528 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|1,0,2]=4 2529 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2530 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|2,0,0]=3 2531 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2532 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|2,0,0]=3 2533 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|2,0,0]=3 2534 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,1,0,0,0,0|3,0,0]=4 2535 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,1,0,0,0,0|3,0,0]=4 2536 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,1,0,0,0,0|3,0,0]=4 2537 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|2,0,0]=3 2538 B9R0.2 CNCCCOCC(F)F 34a_100000213112_100011934356 [0,1,0,0,0,0|3,0,0]=4 2539 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|2,0,0]=3 2540 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,0,0,0,0|2,0,0]=3 2541 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|1,0,2]=4 2542 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|1,0,2]=4 2543 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|1,0,2]=4 2544 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|1,0,2]=4 2545 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|1,0,2]=4 2546 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|1,0,2]=4 2547 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,1,0,0,0,0|2,0,0]=3 2548 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,1,0,0,0,0|2,0,0]=3 2549 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,1,0,0,0,0|2,0,0]=3 2550 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,1,0,0,0,0|3,0,0]=4 2551 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 2552 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,1,0,0,0,0|3,0,0]=4 2553 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,1,0,0,0,0|3,0,0]=4 2554 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,1,0,0,0,0|3,0,0]=4 2555 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,1,0,0,0,0|3,0,0]=4 2556 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,1,0,0,0,0|3,0,0]=4 2557 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|2,0,1]=4 2558 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,1,0,0,0,0|3,0,0]=4 2559 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,1,0,0,0,0|3,0,0]=4 2560 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,1,0,0,0,0|3,0,0]=4 2561 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,1,0,0,0,0|3,0,0]=4 2562 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,1,0,0,0,0|2,0,0]=3 2563 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,1,0,0,0,0|2,0,0]=3 2564 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,1,0,0,0,0|2,0,0]=3 2565 B9R0.2 COCCCNCC(F)F 34a_100000765723_100000740836 [0,1,0,0,0,0|3,0,0]=4 2566 B9R0.2 COCCCNCC(F)F 34a_100150723488_100011934356 [0,1,0,0,0,0|3,0,0]=4 2567 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,1,0,0,0,0|2,0,0]=3 2568 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,1,0,0,0,0|3,0,0]=4 2569 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,1,0,0,0,0|3,0,0]=4 2570 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,1,0,0,0,0|3,0,0]=4 2571 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,1,0,0,0,0|3,0,0]=4 2572 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|2,0,0]=3 2573 B9R0.2 COCCCOCC(F)F 34a_100000740835_100011934356 [0,1,0,0,0,0|3,0,0]=4 2574 B9R0.2 COCCCOCC(F)F 34a_100000743014_100000740836 [0,1,0,0,0,0|3,0,0]=4 2575 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,1,0,0,0,0|3,0,0]=4 2576 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,1,0,0,0,0|3,0,0]=4 2577 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|2,0,0]=3 2578 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,1,0,0,0,0|3,0,0]=4 2579 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,1,0,0,0,0|3,0,0]=4 2580 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,1,0,0,0,0|2,0,0]=3 2581 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,1,0,0,0,0|2,0,0]=3 2582 B9R0.2 COCCCSCC(F)F 62a_100000709357_100011934356 [0,1,0,0,0,0|3,0,0]=4 2583 B9R0.2 COCCCSCC(F)F 62a_100011934356_100000709357 [0,1,0,0,0,0|3,0,0]=4 2584 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,1,0,0,0,0|2,0,0]=3 2585 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,1,0,0,0,0|2,0,0]=3 2586 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,1,0,0,0,0|3,0,0]=4 2587 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,1,0,0,0,0|3,0,0]=4 2588 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,1,0,0,0,0|2,0,0]=3 2589 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,1,0,0,0,0|2,0,0]=3 2590 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,1,0,0,0,0|3,0,0]=4 2591 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,1,0,0,0,0|3,0,0]=4 2592 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,1,0,0,0,0|3,0,0]=4 2593 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,1,0,0,0,0|3,0,0]=4 2594 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,1,0,0,0,0|2,0,0]=3 2595 B9R0.2 COCCOCCC(F)F 34a_100103093639_100011201679 [0,1,0,0,0,0|3,0,0]=4 2596 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,1,0,0,0,0|3,0,0]=4 2597 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,1,0,0,0,0|3,0,0]=4 2598 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,1,0,0,0,0|3,0,0]=4 2599 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,1,0,0,0,0|2,0,0]=3 2600 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,1,0,0,0,0|2,0,0]=3 2601 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [0,1,0,0,0,0|3,0,0]=4 2602 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,1,0,0,0,0|3,0,0]=4 2603 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,1,0,0,0,0|3,0,0]=4 2604 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,1,0,0,0,0|2,0,0]=3 2605 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,1,0,0,0,0|2,0,0]=3 2606 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,1,0,0,0,0|3,0,0]=4 2607 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,1,0,0,0,0|2,0,0]=3 2608 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,0,0,0,0|2,0,0]=3 2609 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,0,0,0,0|2,0,0]=3 2610 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|1,0,2]=4 2611 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|1,0,2]=4 2612 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|2,0,0]=3 2613 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|2,0,0]=3 2614 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,1,0,0,0,0|3,0,0]=4 2615 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,1,0,0,0,0|3,0,0]=4 2616 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,1,0,0,0,0|3,0,0]=4 2617 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,1,0,0,0,0|3,0,0]=4 2618 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,1,0,0,0,0|2,0,0]=3 2619 B9R0.2 CSCCCNCC(F)F 2230a_100000749238_100011934356 [0,1,0,0,0,0|3,0,0]=4 2620 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,1,0,0,0,0|2,0,0]=3 2621 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,1,0,0,0,0|3,0,0]=4 2622 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,1,0,0,0,0|3,0,0]=4 2623 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,1,0,0,0,0|2,0,0]=3 2624 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,1,0,0,0,0|2,0,0]=3 2625 B9R0.2 CSCCCOCC(F)F 34a_100000690336_100011934356 [0,1,0,0,0,0|3,0,0]=4 2626 B9R0.2 CSCCCOCC(F)F 7a_100000690336_100011934356 [0,1,0,0,0,0|3,0,0]=4 2627 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,1,0,0,0,0|2,0,0]=3 2628 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,1,0,0,0,0|2,0,0]=3 2629 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,1,0,0,0,0|3,0,0]=4 2630 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,1,0,0,0,0|3,0,0]=4 2631 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,0,0,0,0|2,0,0]=3 2632 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,0,0,0,0|2,0,0]=3 2633 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,1,0,0,0,0|3,0,0]=4 2634 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,1,0,0,0,0|3,0,0]=4 2635 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,1,0,0,0,0|3,0,0]=4 2636 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,1,0,0,0,0|3,0,0]=4 2637 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,1,0,0,0,0|3,0,0]=4 2638 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,1,0,0,0,0|2,0,0]=3 2639 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,1,0,0,0,0|2,0,0]=3 2640 B9R0.2 CSCCOCCC(F)F 34a_100103093639_100000212216 [0,1,0,0,0,0|3,0,0]=4 2641 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,1,0,0,0,0|3,0,0]=4 2642 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,1,0,0,0,0|3,0,0]=4 2643 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,1,0,0,0,0|3,0,0]=4 2644 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,1,0,0,0,0|2,0,0]=3 2645 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,1,0,0,0,0|2,0,0]=3 2646 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [0,1,0,0,0,0|3,0,0]=4 2647 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [0,1,0,0,0,0|3,0,0]=4 2648 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,1,0,0,0,0|3,0,0]=4 2649 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,1,0,0,0,0|3,0,0]=4 2650 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,1,0,0,0,0|3,0,0]=4 2651 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,1,0,0,0,0|2,0,0]=3 2652 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,1,0,0,0,0|2,0,0]=3 2653 B9R0.2 C[C@@H](Cl)COCC#CCO 34a_100016084084_200000047223 [0,1,0,0,0,0|1,0,2]=4 2654 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [0,1,0,0,0,0|2,0,0]=3 2655 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,1,0,0,0,0|1,0,0]=2 2656 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,1,0,0,0,0|2,0,0]=3 2657 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|1,0,0]=2 2658 B9R0.2 C[C@@H](N)COCC#CCO 34a_100000737577_200000047223 [0,1,0,0,0,0|1,0,2]=4 2659 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [0,1,0,0,0,0|2,0,0]=3 2660 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,1,0,0,0,0|1,0,0]=2 2661 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,1,0,0,0,0|1,0,0]=2 2662 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,0]=2 2663 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,1,0,0,0,0|2,0,0]=3 2664 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,1,0,0,0,0|2,0,0]=3 2665 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,1,0,0,0,0|2,0,0]=3 2666 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,1,0,0,0,0|2,0,0]=3 2667 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,1,0,0,0,0|2,0,0]=3 2668 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,1,0,0,0,0|2,0,0]=3 2669 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,1,0,0,0,0|2,0,0]=3 2670 B9R0.2 C[C@@H](O)CSCC#CCO 62a_100009817552_200000047223 [0,1,0,0,0,0|1,0,2]=4 2671 B9R0.2 C[C@@H](O)CSCC#CCO 62a_200000047223_100009817552 [0,1,0,0,0,0|1,0,2]=4 2672 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100000687738_100009817552 [0,1,0,0,0,0|2,0,1]=4 2673 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100009817552_100000687738 [0,1,0,0,0,0|2,0,1]=4 2674 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,1,0,0,0,0|1,0,2]=4 2675 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,1,0,0,0,0|1,0,2]=4 2676 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,1,0,0,0,0|2,0,0]=3 2677 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,1,0,0,0,0|2,0,0]=3 2678 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,1,0,0,0,0|1,0,0]=2 2679 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,1,0,0,0,0|1,0,0]=2 2680 B9R0.2 FC(F)COCCCCBr 34a_100011216708_100011934356 [0,1,0,0,0,0|3,0,0]=4 2681 B9R0.2 FC(F)COCCCCCl 34a_100000210776_100011934356 [0,1,0,0,0,0|3,0,0]=4 2682 B9R0.2 FC(F)COCCCCCl 7a_100000210776_100011934356 [0,1,0,0,0,0|3,0,0]=4 2683 B9R0.2 FC(F)COCCCCI 34a_200012148704_100011934356 [0,1,0,0,0,0|3,0,0]=4 2684 B9R0.2 FCCCCNCC(F)F 34a_100000765723_100000729493 [0,1,0,0,0,0|3,0,0]=4 2685 B9R0.2 FCCCCOCC(F)F 34a_100000743014_100000729493 [0,1,0,0,0,0|3,0,0]=4 2686 B9R0.2 FCCCCOCC(F)F 34a_100011995726_100011934356 [0,1,0,0,0,0|3,0,0]=4 2687 B9R0.2 FCCCCOCC(F)F 7a_100011995726_100011934356 [0,1,0,0,0,0|3,0,0]=4 2688 B9R0.2 FCCCCSCC(F)F 62a_100000729493_100011934356 [0,1,0,0,0,0|3,0,0]=4 2689 B9R0.2 FCCCCSCC(F)F 62a_100011934356_100000729493 [0,1,0,0,0,0|3,0,0]=4 2690 B9R0.2 FCCCOCCC(F)F 34a_100103093639_100011934791 [0,1,0,0,0,0|3,0,0]=4 2691 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,0,0,0,0|2,0,1]=4 2692 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,0,0,0,0|2,0,1]=4 2693 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,0,0,0,0|2,0,1]=4 2694 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,0,0,0,0|2,0,1]=4 2695 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,0,0,0,0|2,0,1]=4 2696 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,0,0,0,0|2,0,1]=4 2697 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,0,0,0,0|2,0,1]=4 2698 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,0,0,0,0|2,0,1]=4 2699 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,0,0,0,0|2,0,1]=4 2700 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,0,0,0,0|2,0,1]=4 2701 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,1]=4 2702 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,0,0,0,0|2,0,1]=4 2703 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,0,0,0,0|2,0,1]=4 2704 B9R0.2 NCCCCOCC(F)F 34a_100000750430_100011934356 [0,1,0,0,0,0|3,0,0]=4 2705 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|2,0,1]=4 2706 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|2,0,1]=4 2707 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,1]=4 2708 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,0,0,0,0|2,0,1]=4 2709 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,0,0,0,0|2,0,1]=4 2710 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,1,0,0,0,0|3,0,0]=4 2711 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,1,0,0,0,0|3,0,0]=4 2712 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,1,0,0,0,0|3,0,0]=4 2713 B9R0.2 OB(O)CCCCSCF 62a_100015361967_200009817182 [0,1,0,0,0,0|3,0,0]=4 2714 B9R0.2 OB(O)CCCCSCF 62a_200009817182_100015361967 [0,1,0,0,0,0|3,0,0]=4 2715 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [0,1,0,0,0,0|2,0,0]=3 2716 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [0,1,0,0,0,0|2,0,0]=3 2717 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [0,1,0,0,0,0|2,0,0]=3 2718 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [0,1,0,0,0,0|2,0,0]=3 2719 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [0,1,0,0,0,0|2,0,0]=3 2720 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [0,1,0,0,0,0|2,0,0]=3 2721 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [0,1,0,0,0,0|2,0,0]=3 2722 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|0,0,1]=2 2723 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|1,0,2]=4 2724 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|1,0,2]=4 2725 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|1,0,2]=4 2726 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,0,0,0,0|2,0,0]=3 2727 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,0,0,0,0|2,0,0]=3 2728 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|1,0,2]=4 2729 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|1,0,2]=4 2730 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|1,0,2]=4 2731 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|1,0,2]=4 2732 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,1,0,0,0,0|0,0,3]=4 2733 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,1,0,0,0,0|0,0,3]=4 2734 B9R0.5 C#CCC(C)OCCCC 34a_100000685586_100000210210 [0,1,0,0,0,0|2,0,1]=4 2735 B9R0.5 C#CCC(C)OCCCC 7a_100000685586_100000210211 [0,1,0,0,0,0|2,0,1]=4 2736 B9R0.5 C#CCC(C)OCCCO 34a_100000685586_100000230001 [0,1,0,0,0,0|1,0,2]=4 2737 B9R0.5 C#CCC(C)OCCCO 7a_100000685586_100011215043 [0,1,0,0,0,0|1,0,2]=4 2738 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|1,0,2]=4 2739 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|1,0,2]=4 2740 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,1,0,0,0,0|0,0,3]=4 2741 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,1,0,0,0,0|0,0,3]=4 2742 B9R0.5 C#CCCCN(C)CCC 2230a_100000747261_100000731252 [0,1,0,0,0,0|2,0,1]=4 2743 B9R0.5 C#CCCCN(C)CCC 269982a_100000747261_100011215417 [0,1,0,0,0,0|2,0,1]=4 2744 B9R0.5 C#CCCCN(C)CCO 2230a_100000210263_100000731252 [0,1,0,0,0,0|1,0,2]=4 2745 B9R0.5 C#CCCCN(C)CCO 269982a_100000210263_100011215417 [0,1,0,0,0,0|1,0,2]=4 2746 B9R0.5 C#CCCNC(C)CCC 2230a_100000741246_100000688953 [0,1,0,0,0,0|2,0,1]=4 2747 B9R0.5 C#CCCNC(C)CCC 34a_100000755551_100000766640 [0,1,0,0,0,0|2,0,1]=4 2748 B9R0.5 C#CCCNC(C)CCO 34a_100000755551_100009893172 [0,1,0,0,0,0|1,0,2]=4 2749 B9R0.5 C#CCCN[C@H](C)CCO 2230a_100000706166_100000688953 [0,1,0,0,0,0|1,0,2]=4 2750 B9R0.5 C#CCCN[C@H](C)CCO 34a_100000706166_100000688953 [0,1,0,0,0,0|1,0,2]=4 2751 B9R0.5 C#CCCOC(C)CCC 34a_100000764384_100000688953 [0,1,0,0,0,0|2,0,1]=4 2752 B9R0.5 C#CCCOC(C)CCC 34a_100011215631_100000766640 [0,1,0,0,0,0|2,0,1]=4 2753 B9R0.5 C#CCCOC(C)CCC 7a_100000764384_100000688953 [0,1,0,0,0,0|2,0,1]=4 2754 B9R0.5 C#CCCOC(C)CCO 34a_100011215631_100009893172 [0,1,0,0,0,0|1,0,2]=4 2755 B9R0.5 C#CCCSC(C)CCC 62a_100000688953_100000766640 [0,1,0,0,0,0|2,0,1]=4 2756 B9R0.5 C#CCCSC(C)CCC 62a_100000766640_100000688953 [0,1,0,0,0,0|2,0,1]=4 2757 B9R0.5 C#CCCSC(C)CCO 62a_100000688953_100009893172 [0,1,0,0,0,0|1,0,2]=4 2758 B9R0.5 C#CCCSC(C)CCO 62a_100009893172_100000688953 [0,1,0,0,0,0|1,0,2]=4 2759 B9R0.5 C#CCN(C)CCCCC 2230a_100000223495_100000038162 [0,1,0,0,0,0|2,0,1]=4 2760 B9R0.5 C#CCN(C)CCCCC 2230a_100000225692_100000210326 [0,1,0,0,0,0|2,0,1]=4 2761 B9R0.5 C#CCN(C)CCCCC 34a_100000225692_100000718602 [0,1,0,0,0,0|2,0,1]=4 2762 B9R0.5 C#CCN(C)CCCCO 2230a_100000225692_100000210776 [0,1,0,0,0,0|1,0,2]=4 2763 B9R0.5 C#CCN(C)CCCCO 2230a_100000717598_100000038162 [0,1,0,0,0,0|1,0,2]=4 2764 B9R0.5 C#CCN(C)CCCCO 34a_100000225692_100011216708 [0,1,0,0,0,0|1,0,2]=4 2765 B9R0.5 C#CCNCC(C)CCC 34a_100000212058_100011216630 [0,1,0,0,0,0|2,0,1]=4 2766 B9R0.5 C#CCOCC(C)CCC 34a_100000210247_100011216630 [0,1,0,0,0,0|2,0,1]=4 2767 B9R0.5 C#CCOCC(C)CCC 34a_100000688023_100000184674 [0,1,0,0,0,0|2,0,1]=4 2768 B9R0.5 C#CCOCC(C)CCC 7a_100000688023_100000038162 [0,1,0,0,0,0|2,0,1]=4 2769 B9R0.5 C#CCOC[C@@H](N)CCC 34a_100000732646_100000184674 [0,1,0,0,0,0|2,0,1]=4 2770 B9R0.5 C#CCSCC(C)CCC 62a_100000038162_100011216630 [0,1,0,0,0,0|2,0,1]=4 2771 B9R0.5 C/C=C/C(C)OCCCO 34a_200102604097_100000230001 [0,1,0,0,0,0|1,0,2]=4 2772 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [0,1,0,0,0,0|1,0,2]=4 2773 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [0,1,0,0,0,0|1,0,2]=4 2774 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [0,1,0,0,0,0|1,0,2]=4 2775 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [0,1,0,0,0,0|1,0,2]=4 2776 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|1,0,2]=4 2777 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|1,0,2]=4 2778 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|0,0,3]=4 2779 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|0,0,3]=4 2780 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,0,0,0,0|2,0,1]=4 2781 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,0,0,0,0|2,0,1]=4 2782 B9R0.5 C=CCC(C)COCCO 34a_100009832082_100000211926 [0,1,0,0,0,0|1,0,2]=4 2783 B9R0.5 C=CCC(C)COCCO 7a_100009832082_100000211926 [0,1,0,0,0,0|1,0,2]=4 2784 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|1,0,2]=4 2785 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|1,0,2]=4 2786 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|0,0,3]=4 2787 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|0,0,3]=4 2788 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [0,1,0,0,0,0|2,0,1]=4 2789 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [0,1,0,0,0,0|2,0,1]=4 2790 B9R0.5 C=CCCCN(C)CCO 2230a_100000210263_100011713584 [0,1,0,0,0,0|1,0,2]=4 2791 B9R0.5 C=CCCCN(C)CCO 269982a_100000210263_100000757094 [0,1,0,0,0,0|1,0,2]=4 2792 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,1,0,0,0,0|2,0,1]=4 2793 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,1,0,0,0,0|2,0,1]=4 2794 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,1,0,0,0,0|2,0,1]=4 2795 B9R0.5 C=CCCNC(C)CCO 2230a_100015191253_100009893172 [0,1,0,0,0,0|1,0,2]=4 2796 B9R0.5 C=CCCN[C@H](C)CCO 2230a_100000706166_100000754431 [0,1,0,0,0,0|1,0,2]=4 2797 B9R0.5 C=CCCN[C@H](C)CCO 34a_100000706166_100000754431 [0,1,0,0,0,0|1,0,2]=4 2798 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,1,0,0,0,0|2,0,1]=4 2799 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,1,0,0,0,0|2,0,1]=4 2800 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,1,0,0,0,0|2,0,1]=4 2801 B9R0.5 C=CCCOC(C)CCO 34a_100011205117_100009893172 [0,1,0,0,0,0|1,0,2]=4 2802 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,1,0,0,0,0|2,0,1]=4 2803 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,1,0,0,0,0|2,0,1]=4 2804 B9R0.5 C=CCCSC(C)CCO 62a_100000754431_100009893172 [0,1,0,0,0,0|1,0,2]=4 2805 B9R0.5 C=CCCSC(C)CCO 62a_100009893172_100000754431 [0,1,0,0,0,0|1,0,2]=4 2806 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,1,0,0,0,0|2,0,1]=4 2807 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,1,0,0,0,0|2,0,1]=4 2808 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,1,0,0,0,0|2,0,1]=4 2809 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,1,0,0,0,0|2,0,1]=4 2810 B9R0.5 C=CCN(C)CCCCO 2230a_100000225617_100000210776 [0,1,0,0,0,0|1,0,2]=4 2811 B9R0.5 C=CCN(C)CCCCO 2230a_100000717598_100000210623 [0,1,0,0,0,0|1,0,2]=4 2812 B9R0.5 C=CCN(C)CCCCO 269982a_100000225617_100000210776 [0,1,0,0,0,0|1,0,2]=4 2813 B9R0.5 C=CCN(C)CCCCO 269982a_100000717598_100000210623 [0,1,0,0,0,0|1,0,2]=4 2814 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,1,0,0,0,0|2,0,1]=4 2815 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,1,0,0,0,0|2,0,1]=4 2816 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,1,0,0,0,0|2,0,1]=4 2817 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,1,0,0,0,0|2,0,1]=4 2818 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,1,0,0,0,0|2,0,1]=4 2819 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,1,0,0,0,0|2,0,1]=4 2820 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,1,0,0,0,0|2,0,1]=4 2821 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,1,0,0,0,0|2,0,1]=4 2822 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,0,0,0,0|2,0,1]=4 2823 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,0,0,0,0|2,0,1]=4 2824 B9R0.5 C=CC[C@@H](C)OCCCO 34a_100000731007_100000230001 [0,1,0,0,0,0|1,0,2]=4 2825 B9R0.5 C=CC[C@@H](C)OCCCO 7a_100000731007_100011215043 [0,1,0,0,0,0|1,0,2]=4 2826 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,1,0,0,0,0|2,0,1]=4 2827 B9R0.5 C=CC[C@@H](N)COCCO 34a_100020615467_100000211926 [0,1,0,0,0,0|1,0,2]=4 2828 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|0,0,3]=4 2829 B9R0.5 CC#CC(C)OCCCO 34a_100011216543_100000230001 [0,1,0,0,0,0|1,0,2]=4 2830 B9R0.5 CC#CCNC(C)CCO 2230a_100000685387_100009893172 [0,1,0,0,0,0|1,0,2]=4 2831 B9R0.5 CC#CCNC(C)CCO 34a_100000685387_100009893172 [0,1,0,0,0,0|1,0,2]=4 2832 B9R0.5 CC#CCN[C@H](C)CCO 2230a_100000706166_100000748600 [0,1,0,0,0,0|1,0,2]=4 2833 B9R0.5 CC#CCN[C@H](C)CCO 34a_100000706166_100000748600 [0,1,0,0,0,0|1,0,2]=4 2834 B9R0.5 CC#CCOC(C)CCO 34a_100000761923_100009893172 [0,1,0,0,0,0|1,0,2]=4 2835 B9R0.5 CC#CCSC(C)CCO 62a_100000748600_100009893172 [0,1,0,0,0,0|1,0,2]=4 2836 B9R0.5 CC#CCSC(C)CCO 62a_100009893172_100000748600 [0,1,0,0,0,0|1,0,2]=4 2837 B9R0.5 CC(CC#N)SCCCO 62a_100009813641_100011215043 [0,1,0,0,0,0|2,0,1]=4 2838 B9R0.5 CC(CC#N)SCCCO 62a_100011215043_100009813641 [0,1,0,0,0,0|2,0,1]=4 2839 B9R0.5 CC(CCBr)OCCCF 34a_100012276601_100011934791 [0,1,0,0,0,0|3,0,0]=4 2840 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [0,1,0,0,0,0|2,0,0]=3 2841 B9R0.5 CC(CCN)COCCF 34a_106354213184_100011217306 [0,1,0,0,0,0|3,0,0]=4 2842 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [0,1,0,0,0,0|2,0,0]=3 2843 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [0,1,0,0,0,0|2,0,0]=3 2844 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [0,1,0,0,0,0|2,0,0]=3 2845 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [0,1,0,0,0,0|2,0,0]=3 2846 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [0,1,0,0,0,0|2,0,0]=3 2847 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [0,1,0,0,0,0|2,0,0]=3 2848 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [0,1,0,0,0,0|2,0,0]=3 2849 B9R0.5 CC(CCO)OCCON 34a_100000700252_100009893172 [0,1,0,0,0,0|3,0,0]=4 2850 B9R0.5 CC(CCO)SCCC#N 62a_100009893172_100011215226 [0,1,0,0,0,0|2,0,1]=4 2851 B9R0.5 CC(CCO)SCCC#N 62a_100011215226_100009893172 [0,1,0,0,0,0|2,0,1]=4 2852 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [0,1,0,0,0,0|2,0,0]=3 2853 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [0,1,0,0,0,0|2,0,0]=3 2854 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [0,1,0,0,0,0|2,0,0]=3 2855 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [0,1,0,0,0,0|2,0,0]=3 2856 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,0,0,0,0|0,0,3]=4 2857 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,0,0,0,0|0,0,3]=4 2858 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [0,1,0,0,0,0|1,0,2]=4 2859 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [0,1,0,0,0,0|1,0,2]=4 2860 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|0,0,3]=4 2861 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [0,1,0,0,0,0|1,0,2]=4 2862 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [0,1,0,0,0,0|1,0,2]=4 2863 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [0,1,0,0,0,0|1,0,2]=4 2864 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [0,1,0,0,0,0|1,0,2]=4 2865 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,1,0,0,0,0|0,0,3]=4 2866 B9R0.5 CCC#CCN(C)CCO 2230a_100000210263_100009813939 [0,1,0,0,0,0|1,0,2]=4 2867 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,1,0,0,0,0|0,0,3]=4 2868 B9R0.5 CCCC(=NNCCO)C 4a_100000210001_100000211909 [0,1,0,0,0,0|2,0,1]=4 2869 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,1,0,0,0,0|0,0,3]=4 2870 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|1,0,2]=4 2871 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|1,0,2]=4 2872 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|1,0,1]=3 2873 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|0,0,1]=2 2874 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|0,0,1]=2 2875 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|2,0,1]=4 2876 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|2,0,1]=4 2877 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|2,0,1]=4 2878 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|2,0,1]=4 2879 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|2,0,1]=4 2880 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|2,0,1]=4 2881 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|2,0,1]=4 2882 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|1,0,1]=3 2883 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|1,0,1]=3 2884 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,0,0,0,0|2,0,1]=4 2885 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,0,0,0,0|2,0,1]=4 2886 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|1,0,1]=3 2887 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|1,0,1]=3 2888 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 2889 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 2890 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 2891 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,0,0,0,0|2,0,1]=4 2892 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,0,0,0,0|1,0,1]=3 2893 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,0,0,0,0|1,0,1]=3 2894 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,1,0,0,0,0|2,0,1]=4 2895 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 2896 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 2897 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 2898 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 2899 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,0,0,0,0|2,0,0]=3 2900 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,0,0,0,0|2,0,0]=3 2901 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,1,0,0,0,0|2,0,0]=3 2902 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,1,0,0,0,0|2,0,0]=3 2903 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [0,1,0,0,0,0|2,0,0]=3 2904 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,1,0,0,0,0|1,0,0]=2 2905 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,1,0,0,0,0|1,0,0]=2 2906 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,1,0,0,0,0|1,0,0]=2 2907 B9R0.5 CCCC(C)COCC#N 7a_100000688023_100011215382 [0,1,0,0,0,0|2,0,1]=4 2908 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [0,1,0,0,0,0|1,0,2]=4 2909 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [0,1,0,0,0,0|1,0,2]=4 2910 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,1,0,0,0,0|2,0,0]=3 2911 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,1,0,0,0,0|2,0,0]=3 2912 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,1,0,0,0,0|2,0,0]=3 2913 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,1,0,0,0,0|2,0,0]=3 2914 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,1,0,0,0,0|1,0,0]=2 2915 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,1,0,0,0,0|1,0,0]=2 2916 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,1,0,0,0,0|3,0,0]=4 2917 B9R0.5 CCCC(C)CSCC#N 62a_100011215382_100011216630 [0,1,0,0,0,0|2,0,1]=4 2918 B9R0.5 CCCC(C)CSCC#N 62a_100011216630_100011215382 [0,1,0,0,0,0|2,0,1]=4 2919 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [0,1,0,0,0,0|1,0,2]=4 2920 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [0,1,0,0,0,0|1,0,2]=4 2921 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [0,1,0,0,0,0|2,0,0]=3 2922 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [0,1,0,0,0,0|2,0,0]=3 2923 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,1,0,0,0,0|1,0,0]=2 2924 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,1,0,0,0,0|1,0,0]=2 2925 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [0,1,0,0,0,0|3,0,0]=4 2926 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [0,1,0,0,0,0|3,0,0]=4 2927 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [0,1,0,0,0,0|3,0,0]=4 2928 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [0,1,0,0,0,0|3,0,0]=4 2929 B9R0.5 CCCC(C)NCCC#N 2230a_100000741246_100011215226 [0,1,0,0,0,0|2,0,1]=4 2930 B9R0.5 CCCC(C)NCCC#N 270004a_100000720768_100000211909 [0,1,0,0,0,0|2,0,1]=4 2931 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [0,1,0,0,0,0|2,0,0]=3 2932 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [0,1,0,0,0,0|2,0,0]=3 2933 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [0,1,0,0,0,0|2,0,0]=3 2934 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [0,1,0,0,0,0|2,0,0]=3 2935 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,1,0,0,0,0|1,0,0]=2 2936 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,1,0,0,0,0|1,0,0]=2 2937 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,1,0,0,0,0|3,0,0]=4 2938 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,1,0,0,0,0|3,0,0]=4 2939 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,1,0,0,0,0|3,0,0]=4 2940 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,1,0,0,0,0|3,0,0]=4 2941 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,1,0,0,0,0|3,0,0]=4 2942 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,1,0,0,0,0|3,0,0]=4 2943 B9R0.5 CCCC(C)OCCC#N 7a_100000764384_100000184422 [0,1,0,0,0,0|2,0,1]=4 2944 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,1,0,0,0,0|2,0,0]=3 2945 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,1,0,0,0,0|2,0,0]=3 2946 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,1,0,0,0,0|2,0,0]=3 2947 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,1,0,0,0,0|2,0,0]=3 2948 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,1,0,0,0,0|2,0,0]=3 2949 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,1,0,0,0,0|2,0,0]=3 2950 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,0,0,0,0|1,0,0]=2 2951 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,0,0,0,0|1,0,0]=2 2952 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,1,0,0,0,0|3,0,0]=4 2953 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,1,0,0,0,0|3,0,0]=4 2954 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,1,0,0,0,0|3,0,0]=4 2955 B9R0.5 CCCC(C)OCCON 34a_100000700252_100000766640 [0,1,0,0,0,0|3,0,0]=4 2956 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,1,0,0,0,0|3,0,0]=4 2957 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,1,0,0,0,0|3,0,0]=4 2958 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,1,0,0,0,0|3,0,0]=4 2959 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,1,0,0,0,0|3,0,0]=4 2960 B9R0.5 CCCC(C)SCCC#N 62a_100000766640_100011215226 [0,1,0,0,0,0|2,0,1]=4 2961 B9R0.5 CCCC(C)SCCC#N 62a_100011215226_100000766640 [0,1,0,0,0,0|2,0,1]=4 2962 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [0,1,0,0,0,0|2,0,0]=3 2963 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [0,1,0,0,0,0|2,0,0]=3 2964 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,1,0,0,0,0|1,0,0]=2 2965 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,1,0,0,0,0|1,0,0]=2 2966 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,1,0,0,0,0|3,0,0]=4 2967 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,1,0,0,0,0|3,0,0]=4 2968 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,1,0,0,0,0|3,0,0]=4 2969 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,1,0,0,0,0|3,0,0]=4 2970 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,1,0,0,0,0|3,0,0]=4 2971 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,1,0,0,0,0|3,0,0]=4 2972 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,0,0,0,0|0,0,3]=4 2973 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|1,0,2]=4 2974 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|1,0,2]=4 2975 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|1,0,1]=3 2976 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|1,0,1]=3 2977 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|1,0,1]=3 2978 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|0,0,1]=2 2979 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|0,0,1]=2 2980 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|2,0,1]=4 2981 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|2,0,1]=4 2982 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|2,0,1]=4 2983 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|2,0,1]=4 2984 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|2,0,1]=4 2985 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|2,0,1]=4 2986 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|2,0,1]=4 2987 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|2,0,1]=4 2988 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|2,0,1]=4 2989 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|2,0,1]=4 2990 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|2,0,1]=4 2991 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|2,0,1]=4 2992 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|2,0,1]=4 2993 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|2,0,0]=3 2994 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|2,0,0]=3 2995 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|2,0,0]=3 2996 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|2,0,0]=3 2997 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|2,0,0]=3 2998 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|2,0,0]=3 2999 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|2,0,0]=3 3000 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|2,0,0]=3 3001 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|2,0,0]=3 3002 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|2,0,0]=3 3003 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|2,0,0]=3 3004 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|2,0,0]=3 3005 B9R0.5 CCCCCN(C)CC#N 2230a_100000223495_100011215382 [0,1,0,0,0,0|2,0,1]=4 3006 B9R0.5 CCCCCN(C)CC#N 2230a_100000748184_100000210326 [0,1,0,0,0,0|2,0,1]=4 3007 B9R0.5 CCCCCN(C)CC#N 269982a_100000223495_100011214920 [0,1,0,0,0,0|2,0,1]=4 3008 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,0,0,0,0|1,0,2]=4 3009 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,0,0,0,0|1,0,2]=4 3010 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,0,0,0,0|2,0,0]=3 3011 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,0,0,0,0|2,0,0]=3 3012 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,0,0,0,0|2,0,0]=3 3013 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,0,0,0,0|2,0,0]=3 3014 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,0,0,0,0|2,0,0]=3 3015 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,0,0,0,0|2,0,0]=3 3016 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,1,0,0,0,0|2,0,0]=3 3017 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,1,0,0,0,0|2,0,0]=3 3018 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,1,0,0,0,0|1,0,0]=2 3019 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,1,0,0,0,0|1,0,0]=2 3020 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,1,0,0,0,0|1,0,0]=2 3021 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,1,0,0,0,0|1,0,0]=2 3022 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,1,0,0,0,0|1,0,0]=2 3023 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,1,0,0,0,0|1,0,0]=2 3024 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 3025 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,1,0,0,0,0|3,0,0]=4 3026 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,1,0,0,0,0|3,0,0]=4 3027 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,1,0,0,0,0|3,0,0]=4 3028 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,0,0,0,0|2,0,0]=3 3029 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,0,0,0,0|2,0,0]=3 3030 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,1,0,0,0,0|1,0,0]=2 3031 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,1,0,0,0,0|1,0,0]=2 3032 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3033 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3034 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3035 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3036 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|1,0,1]=3 3037 B9R0.5 CCCCNC(C)CC#N 2230a_100000102301_100009813641 [0,1,0,0,0,0|2,0,1]=4 3038 B9R0.5 CCCCNC(C)CC#N 7a_106832991798_100009813641 [0,1,0,0,0,0|2,0,1]=4 3039 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,1,0,0,0,0|2,0,0]=3 3040 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,1,0,0,0,0|2,0,0]=3 3041 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,1,0,0,0,0|2,0,0]=3 3042 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,1,0,0,0,0|2,0,0]=3 3043 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,1,0,0,0,0|1,0,0]=2 3044 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,1,0,0,0,0|1,0,0]=2 3045 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,1,0,0,0,0|3,0,0]=4 3046 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,1,0,0,0,0|3,0,0]=4 3047 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,1,0,0,0,0|3,0,0]=4 3048 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,1,0,0,0,0|3,0,0]=4 3049 B9R0.5 CCCCN[C@@H](C)CC#N 2230a_100016994482_100000210211 [0,1,0,0,0,0|2,0,1]=4 3050 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,1,0,0,0,0|1,0,0]=2 3051 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,1,0,0,0,0|1,0,0]=2 3052 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,1,0,0,0,0|3,0,0]=4 3053 B9R0.5 CCCCOC(C)CC#N 7a_100000210227_100009813641 [0,1,0,0,0,0|2,0,1]=4 3054 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,1,0,0,0,0|2,0,0]=3 3055 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,1,0,0,0,0|2,0,0]=3 3056 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,1,0,0,0,0|2,0,0]=3 3057 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,1,0,0,0,0|2,0,0]=3 3058 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,1,0,0,0,0|2,0,0]=3 3059 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,0,0,0,0|1,0,0]=2 3060 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,0,0,0,0|1,0,0]=2 3061 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,0,0,0,0|3,0,0]=4 3062 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,0,0,0,0|3,0,0]=4 3063 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,0,0,0,0|3,0,0]=4 3064 B9R0.5 CCCCSC(C)CC#N 62a_100000210211_100009813641 [0,1,0,0,0,0|2,0,1]=4 3065 B9R0.5 CCCCSC(C)CC#N 62a_100009813641_100000210210 [0,1,0,0,0,0|2,0,1]=4 3066 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,1,0,0,0,0|2,0,0]=3 3067 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,1,0,0,0,0|2,0,0]=3 3068 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,1,0,0,0,0|1,0,0]=2 3069 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,1,0,0,0,0|1,0,0]=2 3070 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,1,0,0,0,0|3,0,0]=4 3071 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,1,0,0,0,0|3,0,0]=4 3072 B9R0.5 CCCN(C)CC#CCO 2230a_100000747261_200000047223 [0,1,0,0,0,0|1,0,2]=4 3073 B9R0.5 CCCN(C)CCCC#N 2230a_100000747261_100000687738 [0,1,0,0,0,0|2,0,1]=4 3074 B9R0.5 CCCN(C)CCCC#N 269982a_100000747261_100000687738 [0,1,0,0,0,0|2,0,1]=4 3075 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [0,1,0,0,0,0|1,0,2]=4 3076 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [0,1,0,0,0,0|1,0,2]=4 3077 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,1,0,0,0,0|2,0,0]=3 3078 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,1,0,0,0,0|2,0,0]=3 3079 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,1,0,0,0,0|1,0,0]=2 3080 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,1,0,0,0,0|1,0,0]=2 3081 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,1,0,0,0,0|1,0,0]=2 3082 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,1,0,0,0,0|1,0,0]=2 3083 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 3084 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 3085 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 3086 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 3087 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 3088 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 3089 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 3090 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 3091 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,1,0,0,0,0|2,0,0]=3 3092 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,0,0,0,0|3,0,0]=4 3093 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|3,0,0]=4 3094 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,1,0,0,0,0|2,0,1]=4 3095 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|2,0,1]=4 3096 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|2,0,1]=4 3097 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|1,0,1]=3 3098 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,1]=4 3099 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,1,0,0,0,0|2,0,0]=3 3100 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,1,0,0,0,0|2,0,0]=3 3101 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,1,0,0,0,0|2,0,0]=3 3102 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,0]=3 3103 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,0,0,0,0|3,0,0]=4 3104 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|3,0,0]=4 3105 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,1,0,0,0,0|2,0,0]=3 3106 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|2,0,1]=4 3107 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|2,0,1]=4 3108 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|2,0,1]=4 3109 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|2,0,1]=4 3110 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|1,0,1]=3 3111 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,0,1]=4 3112 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,0,1]=4 3113 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,1,0,0,0,0|2,0,0]=3 3114 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,1,0,0,0,0|2,0,0]=3 3115 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,1,0,0,0,0|3,0,0]=4 3116 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,0,0,0,0|3,0,0]=4 3117 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,0,0,0,0|3,0,0]=4 3118 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000001066_100000210303 [0,1,0,0,0,0|2,0,1]=4 3119 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000210303_100000001066 [0,1,0,0,0,0|2,0,1]=4 3120 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,0,0,0,0|2,0,0]=3 3121 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [0,1,0,0,0,0|2,0,0]=3 3122 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [0,1,0,0,0,0|1,0,2]=4 3123 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,1,0,0,0,0|2,0,0]=3 3124 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,1,0,0,0,0|1,0,0]=2 3125 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,1,0,0,0,0|3,0,0]=4 3126 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,0,0,0,0|2,0,1]=4 3127 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,0,0,0,0|2,0,1]=4 3128 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,0,0,0,0|2,0,1]=4 3129 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,0,0,0,0|2,0,1]=4 3130 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,0,0,0,0|2,0,1]=4 3131 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,0,0,0,0|2,0,1]=4 3132 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 3133 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,0,0,0,0|2,0,1]=4 3134 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 3135 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,0,0,0,0|2,0,1]=4 3136 B9R0.5 CCNC(C)CCCC#N 270004a_100015525214_200000032708 [0,1,0,0,0,0|2,0,1]=4 3137 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,0,0,0,0|3,0,0]=4 3138 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,1,0,0,0,0|3,0,0]=4 3139 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|2,0,1]=4 3140 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|2,0,1]=4 3141 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,0,1]=4 3142 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,0,1]=4 3143 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|3,0,0]=4 3144 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|3,0,0]=4 3145 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|2,0,1]=4 3146 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|1,0,1]=3 3147 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|1,0,1]=3 3148 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [0,1,0,0,0,0|2,0,0]=3 3149 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [0,1,0,0,0,0|2,0,0]=3 3150 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [0,1,0,0,0,0|2,0,0]=3 3151 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [0,1,0,0,0,0|2,0,0]=3 3152 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|2,0,1]=4 3153 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|1,0,1]=3 3154 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|1,0,1]=3 3155 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [0,1,0,0,0,0|2,0,0]=3 3156 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [0,1,0,0,0,0|2,0,0]=3 3157 B9R0.5 CN(CC#N)CCCCO 2230a_100000717598_100011215382 [0,1,0,0,0,0|2,0,1]=4 3158 B9R0.5 CN(CC#N)CCCCO 2230a_100000748184_100000210776 [0,1,0,0,0,0|2,0,1]=4 3159 B9R0.5 CN(CC#N)CCCCO 269982a_100000717598_100011214920 [0,1,0,0,0,0|2,0,1]=4 3160 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [0,1,0,0,0,0|2,0,1]=4 3161 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [0,1,0,0,0,0|2,0,1]=4 3162 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [0,1,0,0,0,0|2,0,0]=3 3163 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [0,1,0,0,0,0|2,0,0]=3 3164 B9R0.5 CN(CCO)CCCC#N 2230a_100000210263_100000687738 [0,1,0,0,0,0|2,0,1]=4 3165 B9R0.5 CN(CCO)CCCC#N 269982a_100000210263_100000687738 [0,1,0,0,0,0|2,0,1]=4 3166 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [0,1,0,0,0,0|2,0,1]=4 3167 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [0,1,0,0,0,0|2,0,1]=4 3168 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [0,1,0,0,0,0|2,0,0]=3 3169 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [0,1,0,0,0,0|2,0,0]=3 3170 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,1,0,0,0,0|2,0,0]=3 3171 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,1,0,0,0,0|2,0,0]=3 3172 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,1,0,0,0,0|2,0,0]=3 3173 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,1,0,0,0,0|2,0,0]=3 3174 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|2,0,1]=4 3175 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|1,0,1]=3 3176 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,0,0,0,0|2,0,1]=4 3177 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,0,0,0,0|2,0,1]=4 3178 B9R0.5 COCC(C)NCCCF 2230a_100015189416_100000765312 [0,1,0,0,0,0|3,0,0]=4 3179 B9R0.5 COCC(C)NCCCF 270004a_100015189416_100000749346 [0,1,0,0,0,0|3,0,0]=4 3180 B9R0.5 COCC(C)NCCCF 34a_100015189416_100000765312 [0,1,0,0,0,0|3,0,0]=4 3181 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [0,1,0,0,0,0|2,0,0]=3 3182 B9R0.5 COCC(C)OCCCBr 34a_100011217188_100000765312 [0,1,0,0,0,0|3,0,0]=4 3183 B9R0.5 COCC(C)OCCCCl 34a_100000230001_100000765312 [0,1,0,0,0,0|3,0,0]=4 3184 B9R0.5 COCC(C)OCCCF 34a_100000759539_100000765312 [0,1,0,0,0,0|3,0,0]=4 3185 B9R0.5 COCC(C)OCCCN 34a_100000182051_100000765312 [0,1,0,0,0,0|3,0,0]=4 3186 B9R0.5 COCC(C)SCCCF 62a_100000765312_100011934791 [0,1,0,0,0,0|3,0,0]=4 3187 B9R0.5 COCC(C)SCCCF 62a_100011934791_100000765312 [0,1,0,0,0,0|3,0,0]=4 3188 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [0,1,0,0,0,0|2,0,0]=3 3189 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [0,1,0,0,0,0|2,0,0]=3 3190 B9R0.5 COCC(N)COCCF 34a_100000724102_100011217306 [0,1,0,0,0,0|3,0,0]=4 3191 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [0,1,0,0,0,0|2,0,0]=3 3192 B9R0.5 COCC(O)CNCCF 2230a_100000756049_100011217306 [0,1,0,0,0,0|3,0,0]=4 3193 B9R0.5 COCC(O)CNCCF 34a_100000724931_100011215053 [0,1,0,0,0,0|3,0,0]=4 3194 B9R0.5 COCC(O)CNCCF 34a_100000756049_100011217306 [0,1,0,0,0,0|3,0,0]=4 3195 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,1,0,0,0,0|2,0,0]=3 3196 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,1,0,0,0,0|2,0,0]=3 3197 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,1,0,0,0,0|2,0,0]=3 3198 B9R0.5 COCC(O)COCCBr 34a_100000211926_100011215053 [0,1,0,0,0,0|3,0,0]=4 3199 B9R0.5 COCC(O)COCCN 34a_100000210304_100011215053 [0,1,0,0,0,0|3,0,0]=4 3200 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,1,0,0,0,0|3,0,0]=4 3201 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,1,0,0,0,0|3,0,0]=4 3202 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,1,0,0,0,0|2,0,0]=3 3203 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,1,0,0,0,0|2,0,0]=3 3204 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|2,0,1]=4 3205 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|1,0,1]=3 3206 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|1,0,1]=3 3207 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,1,0,0,0,0|3,0,0]=4 3208 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,1,0,0,0,0|3,0,0]=4 3209 B9R0.5 COCCCN(C)CCF 2230a_100000224831_100011217306 [0,1,0,0,0,0|3,0,0]=4 3210 B9R0.5 COCCCN(C)CCF 269982a_100000224831_100011217306 [0,1,0,0,0,0|3,0,0]=4 3211 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [0,1,0,0,0,0|2,0,0]=3 3212 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [0,1,0,0,0,0|2,0,0]=3 3213 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [0,1,0,0,0,0|2,0,0]=3 3214 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [0,1,0,0,0,0|2,0,0]=3 3215 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,1,0,0,0,0|2,0,1]=4 3216 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [0,1,0,0,0,0|2,0,0]=3 3217 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [0,1,0,0,0,0|2,0,0]=3 3218 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [0,1,0,0,0,0|2,0,0]=3 3219 B9R0.5 COCCOC(C)CCBr 34a_100012276601_100011201679 [0,1,0,0,0,0|3,0,0]=4 3220 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,1,0,0,0,0|2,0,0]=3 3221 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [0,1,0,0,0,0|2,0,0]=3 3222 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [0,1,0,0,0,0|2,0,0]=3 3223 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,1,0,0,0,0|2,0,0]=3 3224 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,1,0,0,0,0|2,0,0]=3 3225 B9R0.5 COC[C@@H](C)NCCCF 2230a_100000764878_100011934791 [0,1,0,0,0,0|3,0,0]=4 3226 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [0,1,0,0,0,0|2,0,0]=3 3227 B9R0.5 COC[C@@H](C)OCCCF 34a_100011934205_100011934791 [0,1,0,0,0,0|3,0,0]=4 3228 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,1,0,0,0,0|2,0,0]=3 3229 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,1,0,0,0,0|2,0,0]=3 3230 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|2,0,1]=4 3231 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|1,0,1]=3 3232 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,1,0,0,0,0|2,0,1]=4 3233 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,1,0,0,0,0|2,0,1]=4 3234 B9R0.5 CSCC(C)NCCCF 270004a_100015189416_100011216314 [0,1,0,0,0,0|3,0,0]=4 3235 B9R0.5 CSCC(C)NCCCO 270004a_100000182051_100011216314 [0,1,0,0,0,0|2,0,0]=3 3236 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|2,0,1]=4 3237 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|1,0,1]=3 3238 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,1,0,0,0,0|2,0,1]=4 3239 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [0,1,0,0,0,0|2,0,0]=3 3240 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [0,1,0,0,0,0|2,0,0]=3 3241 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [0,1,0,0,0,0|2,0,0]=3 3242 B9R0.5 CSCCOC(C)CCBr 34a_100012276601_100000212216 [0,1,0,0,0,0|3,0,0]=4 3243 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [0,1,0,0,0,0|2,0,0]=3 3244 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [0,1,0,0,0,0|2,0,0]=3 3245 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [0,1,0,0,0,0|2,0,0]=3 3246 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [0,1,0,0,0,0|2,0,0]=3 3247 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [0,1,0,0,0,0|2,0,0]=3 3248 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [0,1,0,0,0,0|2,0,0]=3 3249 B9R0.5 CSCOCC(C)CCN 34a_106354213184_100011218213 [0,1,0,0,0,0|3,0,0]=4 3250 B9R0.5 C[C@@H](CC#N)NCCCO 2230a_100016994482_100000230001 [0,1,0,0,0,0|2,0,1]=4 3251 B9R0.5 C[C@H](CCO)NCCC#N 2230a_100000706166_100011215226 [0,1,0,0,0,0|2,0,1]=4 3252 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [0,1,0,0,0,0|2,0,0]=3 3253 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [0,1,0,0,0,0|2,0,0]=3 3254 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [0,1,0,0,0,0|2,0,0]=3 3255 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|2,0,0]=3 3256 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,1,0,0,0,0|1,0,2]=4 3257 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,1,0,0,0,0|1,0,2]=4 3258 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,1,0,0,0,0|1,0,2]=4 3259 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,1,0,0,0,0|1,0,2]=4 3260 B9R0.5 N#CC[C@H](O)CNCCO 2230a_100016997473_100000001066 [0,1,0,0,0,0|2,0,1]=4 3261 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000001066_100000211926 [0,1,0,0,0,0|2,0,1]=4 3262 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000211926_100000001066 [0,1,0,0,0,0|2,0,1]=4 3263 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|1,0,1]=3 3264 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,1,0,0,0,0|2,0,1]=4 3265 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|1,0,1]=3 3266 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|1,0,1]=3 3267 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|1,0,1]=3 3268 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,1,0,0,0,0|2,0,1]=4 3269 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,1,0,0,0,0|2,0,1]=4 3270 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,1,0,0,0,0|2,0,1]=4 3271 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,1,0,0,0,0|2,0,0]=3 3272 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,1,0,0,0,0|1,0,2]=4 3273 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,1,0,0,0,0|1,0,2]=4 3274 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,1,0,0,0,0|0,0,3]=4 3275 B9R0.18 C#CCCN(C)CCCC 2230a_100000207549_100000688953 [0,1,0,0,0,0|2,0,1]=4 3276 B9R0.18 C#CCCN(C)CCCC 269982a_100000207549_100000730999 [0,1,0,0,0,0|2,0,1]=4 3277 B9R0.18 C#CCCN(C)CCCO 2230a_100000213112_100000688953 [0,1,0,0,0,0|1,0,2]=4 3278 B9R0.18 C#CCCN(C)CCCO 269982a_100000213112_100000730999 [0,1,0,0,0,0|1,0,2]=4 3279 B9R0.18 C#CCNC(C)CCCC 2230a_100000126638_100000038162 [0,1,0,0,0,0|2,0,1]=4 3280 B9R0.18 C#CCNC(C)CCCC 34a_100000212058_200011215066 [0,1,0,0,0,0|2,0,1]=4 3281 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [0,1,0,0,0,0|2,0,1]=4 3282 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [0,1,0,0,0,0|2,0,1]=4 3283 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [0,1,0,0,0,0|2,0,1]=4 3284 B9R0.18 C#CCSC(C)CCCC 62a_100000038162_200011215066 [0,1,0,0,0,0|2,0,1]=4 3285 B9R0.18 C/C=C/CN(C)CCCO 269982a_100000213112_100102629194 [0,1,0,0,0,0|1,0,2]=4 3286 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,0,0,0,0|1,0,2]=4 3287 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,0,0,0,0|1,0,2]=4 3288 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,1,0,0,0,0|0,0,3]=4 3289 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [0,1,0,0,0,0|2,0,1]=4 3290 B9R0.18 C=CCCC(C)NCCO 270004a_100000210304_100000762624 [0,1,0,0,0,0|1,0,2]=4 3291 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,1,0,0,0,0|2,0,1]=4 3292 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,1,0,0,0,0|2,0,1]=4 3293 B9R0.18 C=CCCC(C)OCCO 34a_100000765329_100000211926 [0,1,0,0,0,0|1,0,2]=4 3294 B9R0.18 C=CCCC(C)OCCO 7a_100000765329_100000211926 [0,1,0,0,0,0|1,0,2]=4 3295 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [0,1,0,0,0,0|2,0,1]=4 3296 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [0,1,0,0,0,0|2,0,1]=4 3297 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [0,1,0,0,0,0|2,0,1]=4 3298 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [0,1,0,0,0,0|2,0,1]=4 3299 B9R0.18 C=CCCN(C)CCCO 2230a_100000213112_100000754431 [0,1,0,0,0,0|1,0,2]=4 3300 B9R0.18 C=CCCN(C)CCCO 2230a_100020639649_100000230001 [0,1,0,0,0,0|1,0,2]=4 3301 B9R0.18 C=CCCN(C)CCCO 269982a_100000213112_100000754431 [0,1,0,0,0,0|1,0,2]=4 3302 B9R0.18 C=CCCN(C)CCCO 269982a_100020639649_100011215043 [0,1,0,0,0,0|1,0,2]=4 3303 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,1,0,0,0,0|2,0,1]=4 3304 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,1,0,0,0,0|2,0,1]=4 3305 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,1,0,0,0,0|2,0,1]=4 3306 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,1,0,0,0,0|2,0,1]=4 3307 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,1,0,0,0,0|2,0,1]=4 3308 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,1,0,0,0,0|2,0,1]=4 3309 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,1,0,0,0,0|2,0,1]=4 3310 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,1,0,0,0,0|2,0,1]=4 3311 B9R0.18 CC#CCN(C)CCCO 2230a_100000213112_100000748600 [0,1,0,0,0,0|1,0,2]=4 3312 B9R0.18 CC(CCCCl)OCCF 34a_200000718107_100011217306 [0,1,0,0,0,0|3,0,0]=4 3313 B9R0.18 CC(CCCCl)OCCF 7a_200000718107_100011217306 [0,1,0,0,0,0|3,0,0]=4 3314 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [0,1,0,0,0,0|2,0,0]=3 3315 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [0,1,0,0,0,0|2,0,0]=3 3316 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,1,0,0,0,0|0,0,3]=4 3317 B9R0.18 CC=CCN(C)CCCO 2230a_100000213112_100000070051 [0,1,0,0,0,0|1,0,2]=4 3318 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,1,0,0,0,0|0,0,3]=4 3319 B9R0.18 CCC#CC(C)OCCO 34a_100000033903_100000211926 [0,1,0,0,0,0|1,0,2]=4 3320 B9R0.18 CCC#CC(C)OCCO 7a_100000033903_100000211926 [0,1,0,0,0,0|1,0,2]=4 3321 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,1,0,0,0,0|0,0,3]=4 3322 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,1,0,0,0,0|0,0,3]=4 3323 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,1,0,0,0,0|1,0,2]=4 3324 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,1,0,0,0,0|1,0,2]=4 3325 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,0,0,0,0|1,0,1]=3 3326 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,1,0,0,0,0|1,0,1]=3 3327 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,0,0,0,0|0,0,1]=2 3328 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,0,0,0,0|2,0,1]=4 3329 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,0,0,0,0|2,0,1]=4 3330 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|2,0,1]=4 3331 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|2,0,1]=4 3332 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,0,0,0,0|2,0,1]=4 3333 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,1,0,0,0,0|2,0,1]=4 3334 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,1,0,0,0,0|2,0,1]=4 3335 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,1,0,0,0,0|2,0,1]=4 3336 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,1,0,0,0,0|2,0,1]=4 3337 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,1,0,0,0,0|2,0,1]=4 3338 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,1,0,0,0,0|2,0,1]=4 3339 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,1,0,0,0,0|2,0,1]=4 3340 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,1,0,0,0,0|2,0,1]=4 3341 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,1,0,0,0,0|2,0,1]=4 3342 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,1,0,0,0,0|1,0,1]=3 3343 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,1,0,0,0,0|1,0,1]=3 3344 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,0,0,0,0|2,0,0]=3 3345 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,0,0,0,0|2,0,0]=3 3346 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,1,0,0,0,0|2,0,0]=3 3347 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,1,0,0,0,0|2,0,0]=3 3348 B9R0.18 CCCCC(C)NCC#N 2230a_100000126638_100011215382 [0,1,0,0,0,0|2,0,1]=4 3349 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,1,0,0,0,0|1,0,2]=4 3350 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,1,0,0,0,0|2,0,0]=3 3351 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,1,0,0,0,0|2,0,0]=3 3352 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,1,0,0,0,0|2,0,0]=3 3353 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,1,0,0,0,0|2,0,0]=3 3354 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,1,0,0,0,0|1,0,0]=2 3355 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,1,0,0,0,0|1,0,0]=2 3356 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,1,0,0,0,0|1,0,0]=2 3357 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,1,0,0,0,0|1,0,0]=2 3358 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,1,0,0,0,0|3,0,0]=4 3359 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [0,1,0,0,0,0|3,0,0]=4 3360 B9R0.18 CCCCC(C)OCC#N 7a_100000687866_100011215382 [0,1,0,0,0,0|2,0,1]=4 3361 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,1,0,0,0,0|1,0,2]=4 3362 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,1,0,0,0,0|1,0,2]=4 3363 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,1,0,0,0,0|2,0,0]=3 3364 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,1,0,0,0,0|2,0,0]=3 3365 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,1,0,0,0,0|2,0,0]=3 3366 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,1,0,0,0,0|2,0,0]=3 3367 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,1,0,0,0,0|2,0,0]=3 3368 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,1,0,0,0,0|2,0,0]=3 3369 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,1,0,0,0,0|2,0,0]=3 3370 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,1,0,0,0,0|1,0,0]=2 3371 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,1,0,0,0,0|1,0,0]=2 3372 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,1,0,0,0,0|3,0,0]=4 3373 B9R0.18 CCCCC(C)SCC#N 62a_100011215382_200011215066 [0,1,0,0,0,0|2,0,1]=4 3374 B9R0.18 CCCCC(C)SCC#N 62a_200011215066_100011215382 [0,1,0,0,0,0|2,0,1]=4 3375 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,1,0,0,0,0|1,0,2]=4 3376 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,1,0,0,0,0|1,0,2]=4 3377 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,1,0,0,0,0|2,0,0]=3 3378 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,1,0,0,0,0|2,0,0]=3 3379 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,1,0,0,0,0|2,0,0]=3 3380 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,1,0,0,0,0|2,0,0]=3 3381 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,1,0,0,0,0|1,0,0]=2 3382 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,1,0,0,0,0|1,0,0]=2 3383 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,1,0,0,0,0|3,0,0]=4 3384 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,1,0,0,0,0|3,0,0]=4 3385 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [0,1,0,0,0,0|3,0,0]=4 3386 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [0,1,0,0,0,0|3,0,0]=4 3387 B9R0.18 CCCCN(C)CCC#N 2230a_100000184479_100000210211 [0,1,0,0,0,0|2,0,1]=4 3388 B9R0.18 CCCCN(C)CCC#N 2230a_100000207549_100011215226 [0,1,0,0,0,0|2,0,1]=4 3389 B9R0.18 CCCCN(C)CCC#N 2230a_200000177648_200000210301 [0,1,0,0,0,0|2,0,1]=4 3390 B9R0.18 CCCCN(C)CCC#N 269982a_100000207549_100011215226 [0,1,0,0,0,0|2,0,1]=4 3391 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [0,1,0,0,0,0|2,0,0]=3 3392 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [0,1,0,0,0,0|2,0,0]=3 3393 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [0,1,0,0,0,0|2,0,0]=3 3394 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [0,1,0,0,0,0|2,0,0]=3 3395 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [0,1,0,0,0,0|2,0,0]=3 3396 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [0,1,0,0,0,0|2,0,0]=3 3397 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,1,0,0,0,0|1,0,0]=2 3398 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,1,0,0,0,0|1,0,0]=2 3399 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,1,0,0,0,0|1,0,0]=2 3400 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,1,0,0,0,0|1,0,0]=2 3401 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,1,0,0,0,0|3,0,0]=4 3402 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,1,0,0,0,0|3,0,0]=4 3403 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,1,0,0,0,0|3,0,0]=4 3404 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,1,0,0,0,0|3,0,0]=4 3405 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,1,0,0,0,0|3,0,0]=4 3406 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,1,0,0,0,0|3,0,0]=4 3407 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,1,0,0,0,0|3,0,0]=4 3408 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 3409 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,1,0,0,0,0|3,0,0]=4 3410 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,1,0,0,0,0|3,0,0]=4 3411 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,1,0,0,0,0|3,0,0]=4 3412 B9R0.18 CCCCN([13CH3])CCC#N 2230a_200000177648_200025704644 [0,1,0,0,0,0|2,0,1]=4 3413 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [0,1,0,0,0,0|2,0,0]=3 3414 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [0,1,0,0,0,0|2,0,0]=3 3415 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,1,0,0,0,0|3,0,0]=4 3416 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,1,0,0,0,0|3,0,0]=4 3417 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,1,0,0,0,0|2,0,0]=3 3418 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,1,0,0,0,0|2,0,0]=3 3419 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,1,0,0,0,0|2,0,1]=4 3420 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,1,0,0,0,0|2,0,1]=4 3421 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,1,0,0,0,0|2,0,1]=4 3422 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,1,0,0,0,0|2,0,1]=4 3423 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,1,0,0,0,0|3,0,0]=4 3424 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [0,1,0,0,0,0|3,0,0]=4 3425 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [0,1,0,0,0,0|3,0,0]=4 3426 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [0,1,0,0,0,0|2,0,0]=3 3427 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [0,1,0,0,0,0|2,0,0]=3 3428 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [0,1,0,0,0,0|3,0,0]=4 3429 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [0,1,0,0,0,0|3,0,0]=4 3430 B9R0.18 CCCOC(C)CNCF 34a_100015185124_100015361967 [0,1,0,0,0,0|3,0,0]=4 3431 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,1,0,0,0,0|3,0,0]=4 3432 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,1,0,0,0,0|3,0,0]=4 3433 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [0,1,0,0,0,0|3,0,0]=4 3434 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [0,1,0,0,0,0|3,0,0]=4 3435 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [0,1,0,0,0,0|1,0,0]=2 3436 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [0,1,0,0,0,0|1,0,0]=2 3437 B9R0.18 CCNN=C(C)CCCO 4a_100000756455_100000759063 [0,1,0,0,0,0|2,0,1]=4 3438 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,1,0,0,0,0|2,0,1]=4 3439 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,1,0,0,0,0|1,0,1]=3 3440 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,1,0,0,0,0|2,0,1]=4 3441 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,1,0,0,0,0|2,0,1]=4 3442 B9R0.18 CCOCC(C)OCCF 34a_100000718985_100011217306 [0,1,0,0,0,0|3,0,0]=4 3443 B9R0.18 CCOCC(C)OCCF 7a_100000718985_100011217306 [0,1,0,0,0,0|3,0,0]=4 3444 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,1,0,0,0,0|2,0,0]=3 3445 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,1,0,0,0,0|2,0,0]=3 3446 B9R0.18 CCOCC(O)CNCF 34a_102515437182_100015361967 [0,1,0,0,0,0|3,0,0]=4 3447 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [0,1,0,0,0,0|2,0,0]=3 3448 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,1,0,0,0,0|3,0,0]=4 3449 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,1,0,0,0,0|2,0,1]=4 3450 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,1,0,0,0,0|1,0,1]=3 3451 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,1,0,0,0,0|2,0,1]=4 3452 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,1,0,0,0,0|2,0,1]=4 3453 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [0,1,0,0,0,0|2,0,0]=3 3454 B9R0.18 CN(CCC#N)CCCO 2230a_100000184479_100000230001 [0,1,0,0,0,0|2,0,1]=4 3455 B9R0.18 CN(CCC#N)CCCO 2230a_100000213112_100011215226 [0,1,0,0,0,0|2,0,1]=4 3456 B9R0.18 CN(CCC#N)CCCO 269982a_100000213112_100011215226 [0,1,0,0,0,0|2,0,1]=4 3457 B9R0.18 CN(CCCO)CCCF 2230a_100000213112_100011934791 [0,1,0,0,0,0|2,0,0]=3 3458 B9R0.18 CN(CCCO)CCCF 269982a_100000213112_100011934791 [0,1,0,0,0,0|2,0,0]=3 3459 B9R0.18 CN(CCCO)CCCO 2230a_100000212923_200000210301 [0,1,0,0,0,0|2,0,0]=3 3460 B9R0.18 CN(CCCO)CCCO 2230a_100000213112_100000230001 [0,1,0,0,0,0|2,0,0]=3 3461 B9R0.18 CN(CCCO)CCCO 269982a_100000212923_200000210301 [0,1,0,0,0,0|2,0,0]=3 3462 B9R0.18 CN(CCCO)CCCO 269982a_100000213112_100011215043 [0,1,0,0,0,0|2,0,0]=3 3463 B9R0.18 CN(CCCO)CCCO 34a_100000212923_200000210301 [0,1,0,0,0,0|2,0,0]=3 3464 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,1,0,0,0,0|2,0,1]=4 3465 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,1,0,0,0,0|1,0,1]=3 3466 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,1,0,0,0,0|2,0,1]=4 3467 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,1,0,0,0,0|2,0,1]=4 3468 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [0,1,0,0,0,0|2,0,0]=3 3469 B9R0.18 COCCN(C)CCCF 2230a_100000743101_100011934791 [0,1,0,0,0,0|3,0,0]=4 3470 B9R0.18 COCCN(C)CCCF 269982a_100000743101_100011934791 [0,1,0,0,0,0|3,0,0]=4 3471 B9R0.18 COCCN(C)CCCO 2230a_100000213112_100011201679 [0,1,0,0,0,0|2,0,0]=3 3472 B9R0.18 COCCN(C)CCCO 2230a_100000743101_100000230001 [0,1,0,0,0,0|2,0,0]=3 3473 B9R0.18 COCCN(C)CCCO 269982a_100000213112_100000233755 [0,1,0,0,0,0|2,0,0]=3 3474 B9R0.18 COCCN(C)CCCO 269982a_100000743101_100011215043 [0,1,0,0,0,0|2,0,0]=3 3475 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,1,0,0,0,0|2,0,1]=4 3476 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,1,0,0,0,0|1,0,1]=3 3477 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,1,0,0,0,0|2,0,1]=4 3478 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,1,0,0,0,0|2,0,1]=4 3479 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [0,1,0,0,0,0|2,0,0]=3 3480 B9R0.18 CSCCN(C)CCCF 2230a_100000686725_100011934791 [0,1,0,0,0,0|3,0,0]=4 3481 B9R0.18 CSCCN(C)CCCF 269982a_100000686725_100011934791 [0,1,0,0,0,0|3,0,0]=4 3482 B9R0.18 CSCCN(C)CCCO 2230a_100000213112_100000751147 [0,1,0,0,0,0|2,0,0]=3 3483 B9R0.18 CSCCN(C)CCCO 2230a_100000686725_100000230001 [0,1,0,0,0,0|2,0,0]=3 3484 B9R0.18 CSCCN(C)CCCO 269982a_100000213112_100000212216 [0,1,0,0,0,0|2,0,0]=3 3485 B9R0.18 CSCCN(C)CCCO 269982a_100000686725_100011215043 [0,1,0,0,0,0|2,0,0]=3 3486 B9R0.18 CSCC[C@H](N)COCF 34a_100011827619_100015361967 [0,1,0,0,0,0|3,0,0]=4 3487 B9R0.18 CSCOC(C)CCCCl 34a_200000718107_100011218213 [0,1,0,0,0,0|3,0,0]=4 3488 B9R0.18 C[C@H](CCCO)CNCF 34a_100160569302_100015361967 [0,1,0,0,0,0|2,0,0]=3 3489 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,1,0,0,0,0|1,0,2]=4 3490 B9R0.18 [13CH3]N(CCCO)CCCO 2230a_100000212923_200025704644 [0,1,0,0,0,0|2,0,0]=3 3491 B9R0.18 [13CH3]N(CCCO)CCCO 269982a_100000212923_200025704644 [0,1,0,0,0,0|2,0,0]=3 3492 B9R0.18 [13CH3]N(CCCO)CCCO 34a_100000212923_200025704644 [0,1,0,0,0,0|2,0,0]=3 3493 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [0,1,0,0,0,0|1,0,1]=3 3494 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [0,1,0,0,0,0|1,0,1]=3 3495 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [0,1,0,0,0,0|1,0,1]=3 3496 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,1,0,0,0,0|0,0,2]=3 3497 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,1,0,0,0,0|0,0,2]=3 3498 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,1,0,0,0,0|0,0,2]=3 3499 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,1,0,0,0,0|0,0,2]=3 3500 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,1,0,0,0,0|0,0,2]=3 3501 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,1,0,0,0,0|1,0,1]=3 3502 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,1,0,0,0,0|1,0,1]=3 3503 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,1,0,0,0,0|1,0,1]=3 3504 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,1,0,0,0,0|1,0,1]=3 3505 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,1,0,0,0,0|1,0,1]=3 3506 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,1,0,0,0,0|1,0,1]=3 3507 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,1,0,0,0,0|1,0,1]=3 3508 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,1,0,0,0,0|1,0,1]=3 3509 B9R0.45 C#CCCCCCOCF 34a_100000766912_100015361967 [0,1,0,0,0,0|1,0,2]=4 3510 B9R0.45 C#CCCCCCOCF 7a_100000766912_100015361967 [0,1,0,0,0,0|1,0,2]=4 3511 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,1,0,0,0,0|1,0,1]=3 3512 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,1,0,0,0,0|1,0,1]=3 3513 B9R0.45 C#CCCCCCSCF 62a_100012094781_100015361967 [0,1,0,0,0,0|1,0,2]=4 3514 B9R0.45 C#CCCCCCSCF 62a_100015361967_100012094781 [0,1,0,0,0,0|1,0,2]=4 3515 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,1,0,0,0,0|1,0,1]=3 3516 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,1,0,0,0,0|1,0,1]=3 3517 B9R0.45 C#CCCCCNCCF 2230a_100000706060_100011217306 [0,1,0,0,0,0|1,0,2]=4 3518 B9R0.45 C#CCCCCNCCF 34a_100000706060_100011217306 [0,1,0,0,0,0|1,0,2]=4 3519 B9R0.45 C#CCCCCNCCF 34a_100000724931_100010269958 [0,1,0,0,0,0|1,0,2]=4 3520 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [0,1,0,0,0,0|0,0,2]=3 3521 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [0,1,0,0,0,0|0,0,2]=3 3522 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [0,1,0,0,0,0|0,0,2]=3 3523 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [0,1,0,0,0,0|0,0,2]=3 3524 B9R0.45 C#CCCCCNCOC 2230a_100000706060_100000766300 [0,1,0,0,0,0|1,0,2]=4 3525 B9R0.45 C#CCCCCNCSC 2230a_100000706060_100011218213 [0,1,0,0,0,0|2,0,1]=4 3526 B9R0.45 C#CCCCCNCSC 34a_100000706060_100011218213 [0,1,0,0,0,0|2,0,1]=4 3527 B9R0.45 C#CCCCCOCCBr 34a_100000211926_100010269958 [0,1,0,0,0,0|1,0,2]=4 3528 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,1,0,0,0,0|1,0,1]=3 3529 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,1,0,0,0,0|1,0,1]=3 3530 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,1,0,0,0,0|1,0,1]=3 3531 B9R0.45 C#CCCCCOCCF 34a_100000766709_100011217306 [0,1,0,0,0,0|1,0,2]=4 3532 B9R0.45 C#CCCCCOCCF 7a_100000766709_100011217306 [0,1,0,0,0,0|1,0,2]=4 3533 B9R0.45 C#CCCCCOCCN 34a_100000210304_100010269958 [0,1,0,0,0,0|1,0,2]=4 3534 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [0,1,0,0,0,0|0,0,2]=3 3535 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [0,1,0,0,0,0|0,0,2]=3 3536 B9R0.45 C#CCCCCOCSC 34a_100000766709_100011218213 [0,1,0,0,0,0|2,0,1]=4 3537 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,1,0,0,0,0|1,0,1]=3 3538 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,1,0,0,0,0|1,0,1]=3 3539 B9R0.45 C#CCCCCSCCF 62a_100010269958_100011217306 [0,1,0,0,0,0|1,0,2]=4 3540 B9R0.45 C#CCCCCSCCF 62a_100011217306_100010269958 [0,1,0,0,0,0|1,0,2]=4 3541 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,1,0,0,0,0|0,0,2]=3 3542 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,1,0,0,0,0|0,0,2]=3 3543 B9R0.45 C#CCCCCSCOC 62a_100000766300_100010269958 [0,1,0,0,0,0|1,0,2]=4 3544 B9R0.45 C#CCCCCSCOC 62a_100010269958_100000766300 [0,1,0,0,0,0|1,0,2]=4 3545 B9R0.45 C#CCCCCSCSC 62a_100010269958_100011218213 [0,1,0,0,0,0|2,0,1]=4 3546 B9R0.45 C#CCCCCSCSC 62a_100011218213_100010269958 [0,1,0,0,0,0|2,0,1]=4 3547 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,1,0,0,0,0|1,0,1]=3 3548 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,1,0,0,0,0|1,0,1]=3 3549 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,1,0,0,0,0|1,0,1]=3 3550 B9R0.45 C#CCCCNCCCF 2230a_100015189416_100000731252 [0,1,0,0,0,0|1,0,2]=4 3551 B9R0.45 C#CCCCNCCCF 34a_100000718082_100011934791 [0,1,0,0,0,0|1,0,2]=4 3552 B9R0.45 C#CCCCNCCCF 34a_100015189416_100000695029 [0,1,0,0,0,0|1,0,2]=4 3553 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [0,1,0,0,0,0|0,0,2]=3 3554 B9R0.45 C#CCCCNCCOC 2230a_100000209980_100000731252 [0,1,0,0,0,0|1,0,2]=4 3555 B9R0.45 C#CCCCNCCOC 34a_100000718082_100011201679 [0,1,0,0,0,0|1,0,2]=4 3556 B9R0.45 C#CCCCNCCSC 2230a_100020590264_100000731252 [0,1,0,0,0,0|2,0,1]=4 3557 B9R0.45 C#CCCCNCCSC 34a_100000718082_100000212216 [0,1,0,0,0,0|2,0,1]=4 3558 B9R0.45 C#CCCCOCCCBr 34a_100011217188_100000695029 [0,1,0,0,0,0|1,0,2]=4 3559 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,1,0,0,0,0|1,0,1]=3 3560 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,1,0,0,0,0|1,0,1]=3 3561 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,1,0,0,0,0|1,0,1]=3 3562 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,1,0,0,0,0|1,0,1]=3 3563 B9R0.45 C#CCCCOCCCCl 34a_100000230001_100000695029 [0,1,0,0,0,0|1,0,2]=4 3564 B9R0.45 C#CCCCOCCCF 34a_100000215630_100011934791 [0,1,0,0,0,0|1,0,2]=4 3565 B9R0.45 C#CCCCOCCCF 34a_100000759539_100000695029 [0,1,0,0,0,0|1,0,2]=4 3566 B9R0.45 C#CCCCOCCCF 7a_100000215630_100011934791 [0,1,0,0,0,0|1,0,2]=4 3567 B9R0.45 C#CCCCOCCCN 34a_100000182051_100000695029 [0,1,0,0,0,0|1,0,2]=4 3568 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [0,1,0,0,0,0|0,0,2]=3 3569 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [0,1,0,0,0,0|0,0,2]=3 3570 B9R0.45 C#CCCCOCCOC 34a_100000210237_100000695029 [0,1,0,0,0,0|1,0,2]=4 3571 B9R0.45 C#CCCCOCCOC 34a_100000215630_100011201679 [0,1,0,0,0,0|1,0,2]=4 3572 B9R0.45 C#CCCCOCCOC 7a_100000215630_100000233755 [0,1,0,0,0,0|1,0,2]=4 3573 B9R0.45 C#CCCCOCCON 34a_100000700252_100000695029 [0,1,0,0,0,0|1,0,2]=4 3574 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [0,1,0,0,0,0|2,0,1]=4 3575 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [0,1,0,0,0,0|2,0,1]=4 3576 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [0,1,0,0,0,0|2,0,1]=4 3577 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [0,1,0,0,0,0|2,0,1]=4 3578 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,1,0,0,0,0|1,0,1]=3 3579 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,1,0,0,0,0|1,0,1]=3 3580 B9R0.45 C#CCCCSCCCF 62a_100011215417_100011934791 [0,1,0,0,0,0|1,0,2]=4 3581 B9R0.45 C#CCCCSCCCF 62a_100011934791_100011215417 [0,1,0,0,0,0|1,0,2]=4 3582 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,1,0,0,0,0|0,0,2]=3 3583 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,1,0,0,0,0|0,0,2]=3 3584 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,1,0,0,0,0|1,0,2]=4 3585 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,1,0,0,0,0|1,0,2]=4 3586 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [0,1,0,0,0,0|2,0,1]=4 3587 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [0,1,0,0,0,0|2,0,1]=4 3588 B9R0.45 C#CCCCSCOCC 62a_100000739092_100011215417 [0,1,0,0,0,0|2,0,1]=4 3589 B9R0.45 C#CCCCSCOCC 62a_100011215417_100000739092 [0,1,0,0,0,0|2,0,1]=4 3590 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,1,0,0,0,0|1,0,1]=3 3591 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,1,0,0,0,0|1,0,1]=3 3592 B9R0.45 C#CCCNCCCCF 34a_100000755551_100000729493 [0,1,0,0,0,0|1,0,2]=4 3593 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [0,1,0,0,0,0|0,0,2]=3 3594 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [0,1,0,0,0,0|0,0,2]=3 3595 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [0,1,0,0,0,0|0,0,2]=3 3596 B9R0.45 C#CCCNCCCOC 34a_100000755551_100000740836 [0,1,0,0,0,0|1,0,2]=4 3597 B9R0.45 C#CCCNCCCOC 34a_100150723488_100000688953 [0,1,0,0,0,0|1,0,2]=4 3598 B9R0.45 C#CCCNCCCSC 2230a_100000749238_100000688953 [0,1,0,0,0,0|2,0,1]=4 3599 B9R0.45 C#CCCNCCOCC 2230a_102516460346_100000688953 [0,1,0,0,0,0|2,0,1]=4 3600 B9R0.45 C#CCCNCCOCC 34a_100000755551_100000210147 [0,1,0,0,0,0|2,0,1]=4 3601 B9R0.45 C#CCCNCCOCC 34a_102516460346_100000688953 [0,1,0,0,0,0|2,0,1]=4 3602 B9R0.45 C#CCCNCCSCC 2230a_100000106463_100000688953 [0,1,0,0,0,0|2,0,1]=4 3603 B9R0.45 C#CCCNCCSCC 34a_100000755551_100000757381 [0,1,0,0,0,0|2,0,1]=4 3604 B9R0.45 C#CCCOCCCCBr 34a_100011216708_100000688953 [0,1,0,0,0,0|1,0,2]=4 3605 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,1,0,0,0,0|1,0,1]=3 3606 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,1,0,0,0,0|1,0,1]=3 3607 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,1,0,0,0,0|1,0,1]=3 3608 B9R0.45 C#CCCOCCCCCl 34a_100000210776_100000688953 [0,1,0,0,0,0|1,0,2]=4 3609 B9R0.45 C#CCCOCCCCCl 7a_100000210776_100000688953 [0,1,0,0,0,0|1,0,2]=4 3610 B9R0.45 C#CCCOCCCCF 34a_100011215631_100000729493 [0,1,0,0,0,0|1,0,2]=4 3611 B9R0.45 C#CCCOCCCCF 34a_100011995726_100000688953 [0,1,0,0,0,0|1,0,2]=4 3612 B9R0.45 C#CCCOCCCCF 7a_100011995726_100000688953 [0,1,0,0,0,0|1,0,2]=4 3613 B9R0.45 C#CCCOCCCCI 34a_200012148704_100000688953 [0,1,0,0,0,0|1,0,2]=4 3614 B9R0.45 C#CCCOCCCCN 34a_100000750430_100000688953 [0,1,0,0,0,0|1,0,2]=4 3615 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [0,1,0,0,0,0|0,0,2]=3 3616 B9R0.45 C#CCCOCCCNC 34a_100000213112_100000688953 [0,1,0,0,0,0|2,0,1]=4 3617 B9R0.45 C#CCCOCCCOC 34a_100000740835_100000688953 [0,1,0,0,0,0|1,0,2]=4 3618 B9R0.45 C#CCCOCCCOC 34a_100011215631_100000740836 [0,1,0,0,0,0|1,0,2]=4 3619 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [0,1,0,0,0,0|2,0,1]=4 3620 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [0,1,0,0,0,0|2,0,1]=4 3621 B9R0.45 C#CCCOCCOCC 34a_100000210136_100000688953 [0,1,0,0,0,0|2,0,1]=4 3622 B9R0.45 C#CCCOCCOCC 34a_100011215631_100000210147 [0,1,0,0,0,0|2,0,1]=4 3623 B9R0.45 C#CCCOCCOCC 7a_100000210136_100000688953 [0,1,0,0,0,0|2,0,1]=4 3624 B9R0.45 C#CCCOCCSCC 34a_100000212035_100000688953 [0,1,0,0,0,0|2,0,1]=4 3625 B9R0.45 C#CCCOCCSCC 34a_100011215631_100000757381 [0,1,0,0,0,0|2,0,1]=4 3626 B9R0.45 C#CCCOCCSCC 7a_100000212035_100000688953 [0,1,0,0,0,0|2,0,1]=4 3627 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,1,0,0,0,0|1,0,1]=3 3628 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,1,0,0,0,0|1,0,1]=3 3629 B9R0.45 C#CCCSCCCCF 62a_100000688953_100000729493 [0,1,0,0,0,0|1,0,2]=4 3630 B9R0.45 C#CCCSCCCCF 62a_100000729493_100000688953 [0,1,0,0,0,0|1,0,2]=4 3631 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,1,0,0,0,0|0,0,2]=3 3632 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,1,0,0,0,0|0,0,2]=3 3633 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,1,0,0,0,0|1,0,2]=4 3634 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,1,0,0,0,0|1,0,2]=4 3635 B9R0.45 C#CCCSCCOCC 62a_100000210147_100000688953 [0,1,0,0,0,0|2,0,1]=4 3636 B9R0.45 C#CCCSCCOCC 62a_100000688953_100011215890 [0,1,0,0,0,0|2,0,1]=4 3637 B9R0.45 C#CCCSCCSCC 62a_100000688953_100000757381 [0,1,0,0,0,0|2,0,1]=4 3638 B9R0.45 C#CCCSCCSCC 62a_100000757381_100000688953 [0,1,0,0,0,0|2,0,1]=4 3639 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,1,0,0,0,0|1,0,1]=3 3640 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,1,0,0,0,0|1,0,1]=3 3641 B9R0.45 C#CCNCCCCCF 34a_100000212058_100000729378 [0,1,0,0,0,0|1,0,2]=4 3642 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [0,1,0,0,0,0|0,0,2]=3 3643 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [0,1,0,0,0,0|0,0,2]=3 3644 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [0,1,0,0,0,0|0,0,2]=3 3645 B9R0.45 C#CCNCCCCOC 34a_100000212058_100000755781 [0,1,0,0,0,0|1,0,2]=4 3646 B9R0.45 C#CCNCCCOCC 2230a_100000210961_100000038162 [0,1,0,0,0,0|2,0,1]=4 3647 B9R0.45 C#CCNCCCOCC 34a_100000210961_100000184674 [0,1,0,0,0,0|2,0,1]=4 3648 B9R0.45 C#CCNCCCOCC 34a_100000212058_100012232248 [0,1,0,0,0,0|2,0,1]=4 3649 B9R0.45 C#CCNCCOCCC 2230a_100161115042_100000038162 [0,1,0,0,0,0|2,0,1]=4 3650 B9R0.45 C#CCNCCOCCC 34a_100000212058_100011215938 [0,1,0,0,0,0|2,0,1]=4 3651 B9R0.45 C#CCNCCOCCC 34a_100161115042_100000184674 [0,1,0,0,0,0|2,0,1]=4 3652 B9R0.45 C#CCNCCOCCO 2230a_100000211614_100000038162 [0,1,0,0,0,0|1,0,2]=4 3653 B9R0.45 C#CCNCCOCCO 34a_100000211614_100000184674 [0,1,0,0,0,0|1,0,2]=4 3654 B9R0.45 C#CCNCCOCCO 34a_100000212058_100000692535 [0,1,0,0,0,0|1,0,2]=4 3655 B9R0.45 C#CCNCCSCCC 2230a_100020603323_100000038162 [0,1,0,0,0,0|2,0,1]=4 3656 B9R0.45 C#CCNCCSCCO 2230a_100011219999_100000038162 [0,1,0,0,0,0|1,0,2]=4 3657 B9R0.45 C#CCNCOCCCC 34a_100000212058_100011995733 [0,1,0,0,0,0|2,0,1]=4 3658 B9R0.45 C#CCOCCCCCBr 34a_100000746331_100000184674 [0,1,0,0,0,0|1,0,2]=4 3659 B9R0.45 C#CCOCCCCCBr 7a_100000746331_100000038162 [0,1,0,0,0,0|1,0,2]=4 3660 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,1,0,0,0,0|1,0,1]=3 3661 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,1,0,0,0,0|1,0,1]=3 3662 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,1,0,0,0,0|1,0,1]=3 3663 B9R0.45 C#CCOCCCCCCl 34a_100000746330_100000184674 [0,1,0,0,0,0|1,0,2]=4 3664 B9R0.45 C#CCOCCCCCCl 7a_100000746330_100000038162 [0,1,0,0,0,0|1,0,2]=4 3665 B9R0.45 C#CCOCCCCCF 34a_100000210247_100000729378 [0,1,0,0,0,0|1,0,2]=4 3666 B9R0.45 C#CCOCCCCCI 34a_200012148887_100000184674 [0,1,0,0,0,0|1,0,2]=4 3667 B9R0.45 C#CCOCCCCCI 7a_200012148887_100000038162 [0,1,0,0,0,0|1,0,2]=4 3668 B9R0.45 C#CCOCCCCCN 34a_100000762737_100000184674 [0,1,0,0,0,0|1,0,2]=4 3669 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [0,1,0,0,0,0|0,0,2]=3 3670 B9R0.45 C#CCOCCCCOC 34a_100000210247_100000755781 [0,1,0,0,0,0|1,0,2]=4 3671 B9R0.45 C#CCOCCCCOC 34a_100000740925_100000184674 [0,1,0,0,0,0|1,0,2]=4 3672 B9R0.45 C#CCOCCCCSC 34a_100011217163_100000184674 [0,1,0,0,0,0|2,0,1]=4 3673 B9R0.45 C#CCOCCCCSC 7a_100011217163_100000038162 [0,1,0,0,0,0|2,0,1]=4 3674 B9R0.45 C#CCOCCCOCC 34a_100000210247_100012232248 [0,1,0,0,0,0|2,0,1]=4 3675 B9R0.45 C#CCOCCCOCC 34a_100000757476_100000184674 [0,1,0,0,0,0|2,0,1]=4 3676 B9R0.45 C#CCOCCCOCC 7a_100000757476_100000038162 [0,1,0,0,0,0|2,0,1]=4 3677 B9R0.45 C#CCOCCCSCC 34a_100011216438_100000184674 [0,1,0,0,0,0|2,0,1]=4 3678 B9R0.45 C#CCOCCCSCC 7a_100011216438_100000038162 [0,1,0,0,0,0|2,0,1]=4 3679 B9R0.45 C#CCOCCNCCC 2230a_100000700922_100000210303 [0,1,0,0,0,0|2,0,1]=4 3680 B9R0.45 C#CCOCCNCCC 34a_100000700922_100000210303 [0,1,0,0,0,0|2,0,1]=4 3681 B9R0.45 C#CCOCCNCCO 2230a_100000700922_100000211926 [0,1,0,0,0,0|1,0,2]=4 3682 B9R0.45 C#CCOCCNCCO 2230a_100016997473_100010402529 [0,1,0,0,0,0|1,0,2]=4 3683 B9R0.45 C#CCOCCNCCO 34a_100000700922_100000211926 [0,1,0,0,0,0|1,0,2]=4 3684 B9R0.45 C#CCOCCNCCO 34a_100016990907_100010402529 [0,1,0,0,0,0|1,0,2]=4 3685 B9R0.45 C#CCOCCOCCC 34a_100000054580_100000210303 [0,1,0,0,0,0|2,0,1]=4 3686 B9R0.45 C#CCOCCOCCC 34a_100000210247_100011215938 [0,1,0,0,0,0|2,0,1]=4 3687 B9R0.45 C#CCOCCOCCC 34a_100000210258_100010402529 [0,1,0,0,0,0|2,0,1]=4 3688 B9R0.45 C#CCOCCOCCC 34a_100000752267_100000184674 [0,1,0,0,0,0|2,0,1]=4 3689 B9R0.45 C#CCOCCOCCC 7a_100000054580_100000210303 [0,1,0,0,0,0|2,0,1]=4 3690 B9R0.45 C#CCOCCOCCC 7a_100000752267_100000038162 [0,1,0,0,0,0|2,0,1]=4 3691 B9R0.45 C#CCOCCOCCO 34a_100000054580_100000211926 [0,1,0,0,0,0|1,0,2]=4 3692 B9R0.45 C#CCOCCOCCO 34a_100000210247_100000692535 [0,1,0,0,0,0|1,0,2]=4 3693 B9R0.45 C#CCOCCOCCO 7a_100000054580_100000211926 [0,1,0,0,0,0|1,0,2]=4 3694 B9R0.45 C#CCOCCSCCC 34a_200000230433_100000184674 [0,1,0,0,0,0|2,0,1]=4 3695 B9R0.45 C#CCOCCSCCC 62a_100000210303_100010402529 [0,1,0,0,0,0|2,0,1]=4 3696 B9R0.45 C#CCOCCSCCC 62a_100010402529_100000210303 [0,1,0,0,0,0|2,0,1]=4 3697 B9R0.45 C#CCOCCSCCC 7a_200000230433_100000038162 [0,1,0,0,0,0|2,0,1]=4 3698 B9R0.45 C#CCOCCSCCO 62a_100000211926_100010402529 [0,1,0,0,0,0|1,0,2]=4 3699 B9R0.45 C#CCOCCSCCO 62a_100010402529_100000211926 [0,1,0,0,0,0|1,0,2]=4 3700 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [0,1,0,0,0,0|2,0,1]=4 3701 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,1,0,0,0,0|1,0,1]=3 3702 B9R0.45 C#CCSCCCCCF 62a_100000038162_100000729378 [0,1,0,0,0,0|1,0,2]=4 3703 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [0,1,0,0,0,0|0,0,2]=3 3704 B9R0.45 C#CCSCCCCOC 62a_100000038162_100000730899 [0,1,0,0,0,0|1,0,2]=4 3705 B9R0.45 C#CCSCCCOCC 62a_100000038162_100012232248 [0,1,0,0,0,0|2,0,1]=4 3706 B9R0.45 C#CCSCCOCCC 62a_100000038162_100011215938 [0,1,0,0,0,0|2,0,1]=4 3707 B9R0.45 C#CCSCCOCCO 62a_100000038162_100011215305 [0,1,0,0,0,0|1,0,2]=4 3708 B9R0.45 C#CCSCOCCCC 62a_100000038162_100011995733 [0,1,0,0,0,0|2,0,1]=4 3709 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,1,0,0,0,0|1,0,2]=4 3710 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,1,0,0,0,0|1,0,2]=4 3711 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,1,0,0,0,0|0,0,2]=3 3712 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,1,0,0,0,0|1,0,2]=4 3713 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,1,0,0,0,0|0,0,2]=3 3714 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,1,0,0,0,0|1,0,2]=4 3715 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,1,0,0,0,0|1,0,2]=4 3716 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,0,0,0,0|1,0,2]=4 3717 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,0,0,0,0|1,0,2]=4 3718 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,0,0,0,0|1,0,2]=4 3719 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,1,0,0,0,0|1,0,2]=4 3720 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,1,0,0,0,0|1,0,2]=4 3721 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,1,0,0,0,0|1,0,2]=4 3722 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,1,0,0,0,0|1,0,2]=4 3723 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,1,0,0,0,0|1,0,2]=4 3724 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,1,0,0,0,0|1,0,2]=4 3725 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,1,0,0,0,0|1,0,2]=4 3726 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,1,0,0,0,0|0,0,2]=3 3727 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,1,0,0,0,0|1,0,2]=4 3728 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,1,0,0,0,0|1,0,2]=4 3729 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,1,0,0,0,0|1,0,2]=4 3730 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,1,0,0,0,0|1,0,2]=4 3731 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,1,0,0,0,0|1,0,2]=4 3732 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,1,0,0,0,0|1,0,2]=4 3733 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,1,0,0,0,0|0,0,2]=3 3734 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,1,0,0,0,0|0,0,2]=3 3735 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,1,0,0,0,0|1,0,2]=4 3736 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,1,0,0,0,0|1,0,2]=4 3737 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,1,0,0,0,0|1,0,1]=3 3738 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,1,0,0,0,0|1,0,1]=3 3739 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,1,0,0,0,0|1,0,1]=3 3740 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,1,0,0,0,0|0,0,2]=3 3741 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,1,0,0,0,0|0,0,2]=3 3742 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,1,0,0,0,0|0,0,2]=3 3743 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,1,0,0,0,0|0,0,2]=3 3744 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,1,0,0,0,0|0,0,2]=3 3745 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,1,0,0,0,0|1,0,1]=3 3746 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,1,0,0,0,0|1,0,1]=3 3747 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,1,0,0,0,0|1,0,1]=3 3748 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,1,0,0,0,0|1,0,1]=3 3749 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,1,0,0,0,0|1,0,1]=3 3750 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,1,0,0,0,0|1,0,1]=3 3751 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,1,0,0,0,0|1,0,1]=3 3752 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,1,0,0,0,0|1,0,1]=3 3753 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,1,0,0,0,0|1,0,2]=4 3754 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,1,0,0,0,0|1,0,2]=4 3755 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,1,0,0,0,0|1,0,1]=3 3756 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,1,0,0,0,0|1,0,1]=3 3757 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,1,0,0,0,0|1,0,2]=4 3758 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,1,0,0,0,0|1,0,2]=4 3759 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,1,0,0,0,0|1,0,1]=3 3760 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,1,0,0,0,0|1,0,1]=3 3761 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,1,0,0,0,0|1,0,2]=4 3762 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,1,0,0,0,0|1,0,2]=4 3763 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,1,0,0,0,0|1,0,2]=4 3764 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,1,0,0,0,0|0,0,2]=3 3765 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,1,0,0,0,0|0,0,2]=3 3766 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,1,0,0,0,0|0,0,2]=3 3767 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,1,0,0,0,0|0,0,2]=3 3768 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,1,0,0,0,0|1,0,2]=4 3769 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,1,0,0,0,0|2,0,1]=4 3770 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,1,0,0,0,0|2,0,1]=4 3771 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,1,0,0,0,0|1,0,2]=4 3772 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,1,0,0,0,0|1,0,1]=3 3773 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,1,0,0,0,0|1,0,1]=3 3774 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,1,0,0,0,0|1,0,1]=3 3775 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,1,0,0,0,0|1,0,2]=4 3776 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,1,0,0,0,0|1,0,2]=4 3777 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,1,0,0,0,0|1,0,2]=4 3778 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,1,0,0,0,0|0,0,2]=3 3779 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,1,0,0,0,0|0,0,2]=3 3780 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,1,0,0,0,0|2,0,1]=4 3781 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,1,0,0,0,0|1,0,1]=3 3782 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,1,0,0,0,0|1,0,1]=3 3783 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,1,0,0,0,0|1,0,2]=4 3784 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,1,0,0,0,0|1,0,2]=4 3785 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,1,0,0,0,0|0,0,2]=3 3786 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,1,0,0,0,0|0,0,2]=3 3787 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,1,0,0,0,0|1,0,2]=4 3788 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,1,0,0,0,0|1,0,2]=4 3789 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,1,0,0,0,0|2,0,1]=4 3790 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,1,0,0,0,0|2,0,1]=4 3791 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,1,0,0,0,0|1,0,1]=3 3792 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,1,0,0,0,0|1,0,1]=3 3793 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,1,0,0,0,0|1,0,1]=3 3794 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,1,0,0,0,0|1,0,1]=3 3795 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,1,0,0,0,0|1,0,2]=4 3796 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,1,0,0,0,0|1,0,2]=4 3797 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,1,0,0,0,0|1,0,2]=4 3798 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,1,0,0,0,0|1,0,2]=4 3799 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,1,0,0,0,0|0,0,2]=3 3800 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,1,0,0,0,0|0,0,2]=3 3801 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,1,0,0,0,0|1,0,2]=4 3802 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,1,0,0,0,0|1,0,2]=4 3803 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,1,0,0,0,0|1,0,2]=4 3804 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,1,0,0,0,0|2,0,1]=4 3805 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,1,0,0,0,0|2,0,1]=4 3806 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,1,0,0,0,0|2,0,1]=4 3807 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,1,0,0,0,0|1,0,2]=4 3808 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,1,0,0,0,0|1,0,1]=3 3809 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,1,0,0,0,0|1,0,1]=3 3810 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,1,0,0,0,0|1,0,1]=3 3811 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,1,0,0,0,0|1,0,1]=3 3812 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,1,0,0,0,0|1,0,2]=4 3813 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,1,0,0,0,0|1,0,2]=4 3814 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,1,0,0,0,0|1,0,2]=4 3815 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,1,0,0,0,0|1,0,2]=4 3816 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,1,0,0,0,0|1,0,2]=4 3817 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,1,0,0,0,0|0,0,2]=3 3818 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,1,0,0,0,0|0,0,2]=3 3819 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,1,0,0,0,0|1,0,2]=4 3820 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,1,0,0,0,0|1,0,2]=4 3821 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,1,0,0,0,0|1,0,2]=4 3822 B9R0.45 C=CCCCOCCON 34a_100000700252_100000757094 [0,1,0,0,0,0|1,0,2]=4 3823 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,1,0,0,0,0|2,0,1]=4 3824 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,1,0,0,0,0|2,0,1]=4 3825 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,1,0,0,0,0|2,0,1]=4 3826 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,1,0,0,0,0|2,0,1]=4 3827 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,1,0,0,0,0|1,0,1]=3 3828 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,1,0,0,0,0|1,0,1]=3 3829 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,1,0,0,0,0|1,0,2]=4 3830 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,1,0,0,0,0|1,0,2]=4 3831 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,1,0,0,0,0|0,0,2]=3 3832 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,1,0,0,0,0|0,0,2]=3 3833 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,1,0,0,0,0|1,0,2]=4 3834 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,1,0,0,0,0|1,0,2]=4 3835 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,1,0,0,0,0|2,0,1]=4 3836 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,1,0,0,0,0|2,0,1]=4 3837 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,1,0,0,0,0|2,0,1]=4 3838 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,1,0,0,0,0|2,0,1]=4 3839 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,1,0,0,0,0|1,0,1]=3 3840 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,1,0,0,0,0|1,0,1]=3 3841 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,1,0,0,0,0|1,0,2]=4 3842 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,1,0,0,0,0|0,0,2]=3 3843 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,1,0,0,0,0|0,0,2]=3 3844 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,1,0,0,0,0|0,0,2]=3 3845 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,1,0,0,0,0|1,0,2]=4 3846 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,1,0,0,0,0|1,0,2]=4 3847 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,1,0,0,0,0|2,0,1]=4 3848 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,1,0,0,0,0|2,0,1]=4 3849 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,1,0,0,0,0|2,0,1]=4 3850 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,1,0,0,0,0|2,0,1]=4 3851 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,1,0,0,0,0|2,0,1]=4 3852 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,1,0,0,0,0|2,0,1]=4 3853 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,1,0,0,0,0|1,0,2]=4 3854 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,0,0,0,0|1,0,1]=3 3855 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,0,0,0,0|1,0,1]=3 3856 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,0,0,0,0|1,0,1]=3 3857 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,1,0,0,0,0|1,0,2]=4 3858 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,1,0,0,0,0|1,0,2]=4 3859 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,1,0,0,0,0|1,0,2]=4 3860 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,1,0,0,0,0|1,0,2]=4 3861 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,1,0,0,0,0|1,0,2]=4 3862 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,1,0,0,0,0|1,0,2]=4 3863 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,1,0,0,0,0|1,0,2]=4 3864 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,1,0,0,0,0|0,0,2]=3 3865 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,1,0,0,0,0|2,0,1]=4 3866 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,1,0,0,0,0|1,0,2]=4 3867 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,1,0,0,0,0|1,0,2]=4 3868 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,1,0,0,0,0|2,0,1]=4 3869 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,1,0,0,0,0|2,0,1]=4 3870 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,1,0,0,0,0|2,0,1]=4 3871 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,1,0,0,0,0|2,0,1]=4 3872 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,1,0,0,0,0|2,0,1]=4 3873 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,1,0,0,0,0|2,0,1]=4 3874 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,1,0,0,0,0|2,0,1]=4 3875 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,1,0,0,0,0|2,0,1]=4 3876 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,1,0,0,0,0|1,0,1]=3 3877 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,1,0,0,0,0|1,0,1]=3 3878 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,1,0,0,0,0|1,0,2]=4 3879 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,1,0,0,0,0|1,0,2]=4 3880 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,1,0,0,0,0|0,0,2]=3 3881 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,1,0,0,0,0|0,0,2]=3 3882 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,1,0,0,0,0|1,0,2]=4 3883 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,1,0,0,0,0|1,0,2]=4 3884 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,1,0,0,0,0|2,0,1]=4 3885 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,1,0,0,0,0|2,0,1]=4 3886 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,1,0,0,0,0|2,0,1]=4 3887 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,1,0,0,0,0|2,0,1]=4 3888 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,1,0,0,0,0|1,0,1]=3 3889 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,1,0,0,0,0|1,0,1]=3 3890 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,1,0,0,0,0|1,0,2]=4 3891 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,1,0,0,0,0|0,0,2]=3 3892 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,1,0,0,0,0|0,0,2]=3 3893 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,1,0,0,0,0|0,0,2]=3 3894 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,1,0,0,0,0|1,0,2]=4 3895 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,1,0,0,0,0|2,0,1]=4 3896 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,1,0,0,0,0|2,0,1]=4 3897 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,1,0,0,0,0|2,0,1]=4 3898 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,1,0,0,0,0|2,0,1]=4 3899 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,1,0,0,0,0|2,0,1]=4 3900 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,1,0,0,0,0|2,0,1]=4 3901 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [0,1,0,0,0,0|1,0,2]=4 3902 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [0,1,0,0,0,0|1,0,2]=4 3903 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [0,1,0,0,0,0|1,0,2]=4 3904 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,1,0,0,0,0|2,0,1]=4 3905 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [0,1,0,0,0,0|1,0,2]=4 3906 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,1,0,0,0,0|2,0,1]=4 3907 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,1,0,0,0,0|1,0,2]=4 3908 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,1,0,0,0,0|1,0,2]=4 3909 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,1,0,0,0,0|1,0,1]=3 3910 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,1,0,0,0,0|1,0,1]=3 3911 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,1,0,0,0,0|1,0,1]=3 3912 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,1,0,0,0,0|1,0,2]=4 3913 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,1,0,0,0,0|1,0,2]=4 3914 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,1,0,0,0,0|1,0,2]=4 3915 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,1,0,0,0,0|1,0,2]=4 3916 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,1,0,0,0,0|1,0,2]=4 3917 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,1,0,0,0,0|1,0,2]=4 3918 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,1,0,0,0,0|0,0,2]=3 3919 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,1,0,0,0,0|1,0,2]=4 3920 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,1,0,0,0,0|1,0,2]=4 3921 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,1,0,0,0,0|2,0,1]=4 3922 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,1,0,0,0,0|2,0,1]=4 3923 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,1,0,0,0,0|2,0,1]=4 3924 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,1,0,0,0,0|2,0,1]=4 3925 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,1,0,0,0,0|2,0,1]=4 3926 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,1,0,0,0,0|2,0,1]=4 3927 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,1,0,0,0,0|2,0,1]=4 3928 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,1,0,0,0,0|2,0,1]=4 3929 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,1,0,0,0,0|2,0,1]=4 3930 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,1,0,0,0,0|2,0,1]=4 3931 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,1,0,0,0,0|2,0,1]=4 3932 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,1,0,0,0,0|2,0,1]=4 3933 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,1,0,0,0,0|1,0,2]=4 3934 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,1,0,0,0,0|1,0,2]=4 3935 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,1,0,0,0,0|1,0,2]=4 3936 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,1,0,0,0,0|2,0,1]=4 3937 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,1,0,0,0,0|2,0,1]=4 3938 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,1,0,0,0,0|2,0,1]=4 3939 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,1,0,0,0,0|1,0,1]=3 3940 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,1,0,0,0,0|1,0,1]=3 3941 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [0,1,0,0,0,0|1,0,2]=4 3942 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [0,1,0,0,0,0|1,0,2]=4 3943 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,1,0,0,0,0|0,0,2]=3 3944 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,1,0,0,0,0|0,0,2]=3 3945 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,1,0,0,0,0|1,0,2]=4 3946 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,1,0,0,0,0|1,0,2]=4 3947 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,1,0,0,0,0|2,0,1]=4 3948 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,1,0,0,0,0|2,0,1]=4 3949 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,1,0,0,0,0|2,0,1]=4 3950 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,1,0,0,0,0|2,0,1]=4 3951 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [0,1,0,0,0,0|1,0,2]=4 3952 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [0,1,0,0,0,0|1,0,2]=4 3953 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,1,0,0,0,0|2,0,1]=4 3954 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,1,0,0,0,0|2,0,1]=4 3955 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,1,0,0,0,0|2,0,1]=4 3956 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,1,0,0,0,0|2,0,1]=4 3957 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,1,0,0,0,0|2,0,1]=4 3958 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,1,0,0,0,0|2,0,1]=4 3959 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,1,0,0,0,0|1,0,2]=4 3960 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,1,0,0,0,0|1,0,2]=4 3961 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,1,0,0,0,0|2,0,1]=4 3962 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,1,0,0,0,0|2,0,1]=4 3963 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,1,0,0,0,0|2,0,1]=4 3964 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,1,0,0,0,0|2,0,1]=4 3965 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,1,0,0,0,0|2,0,1]=4 3966 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,1,0,0,0,0|1,0,2]=4 3967 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,1,0,0,0,0|2,0,1]=4 3968 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,1,0,0,0,0|2,0,1]=4 3969 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,1,0,0,0,0|1,0,2]=4 3970 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,1,0,0,0,0|1,0,2]=4 3971 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,1,0,0,0,0|1,0,2]=4 3972 B9R0.45 CC#CCCOCCCF 34a_100000750427_100011934791 [0,1,0,0,0,0|1,0,2]=4 3973 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [0,1,0,0,0,0|0,0,2]=3 3974 B9R0.45 CC#CCCOCCOC 34a_100000750427_100011201679 [0,1,0,0,0,0|1,0,2]=4 3975 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [0,1,0,0,0,0|1,0,2]=4 3976 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [0,1,0,0,0,0|1,0,2]=4 3977 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [0,1,0,0,0,0|1,0,2]=4 3978 B9R0.45 CC#CCNCCCCF 2230a_100000685387_100000729493 [0,1,0,0,0,0|1,0,2]=4 3979 B9R0.45 CC#CCNCCCCF 34a_100000685387_100000729493 [0,1,0,0,0,0|1,0,2]=4 3980 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [0,1,0,0,0,0|0,0,2]=3 3981 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [0,1,0,0,0,0|0,0,2]=3 3982 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [0,1,0,0,0,0|0,0,2]=3 3983 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [0,1,0,0,0,0|0,0,2]=3 3984 B9R0.45 CC#CCNCCCOC 2230a_100000685387_100000740836 [0,1,0,0,0,0|1,0,2]=4 3985 B9R0.45 CC#CCNCCCOC 34a_100000685387_100000740836 [0,1,0,0,0,0|1,0,2]=4 3986 B9R0.45 CC#CCNCCCOC 34a_100150723488_100000748600 [0,1,0,0,0,0|1,0,2]=4 3987 B9R0.45 CC#CCOCCCCBr 34a_100011216708_100000748600 [0,1,0,0,0,0|1,0,2]=4 3988 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,1,0,0,0,0|1,0,2]=4 3989 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,1,0,0,0,0|1,0,2]=4 3990 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,1,0,0,0,0|1,0,2]=4 3991 B9R0.45 CC#CCOCCCCCl 34a_100000210776_100000748600 [0,1,0,0,0,0|1,0,2]=4 3992 B9R0.45 CC#CCOCCCCCl 7a_100000210776_100000748600 [0,1,0,0,0,0|1,0,2]=4 3993 B9R0.45 CC#CCOCCCCF 34a_100000761923_100000729493 [0,1,0,0,0,0|1,0,2]=4 3994 B9R0.45 CC#CCOCCCCF 34a_100011995726_100000748600 [0,1,0,0,0,0|1,0,2]=4 3995 B9R0.45 CC#CCOCCCCF 7a_100011995726_100000748600 [0,1,0,0,0,0|1,0,2]=4 3996 B9R0.45 CC#CCOCCCCI 34a_200012148704_100000748600 [0,1,0,0,0,0|1,0,2]=4 3997 B9R0.45 CC#CCOCCCCN 34a_100000750430_100000748600 [0,1,0,0,0,0|1,0,2]=4 3998 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [0,1,0,0,0,0|0,0,2]=3 3999 B9R0.45 CC#CCOCCCOC 34a_100000740835_100000748600 [0,1,0,0,0,0|1,0,2]=4 4000 B9R0.45 CC#CCOCCCOC 34a_100000761923_100000740836 [0,1,0,0,0,0|1,0,2]=4 4001 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,1,0,0,0,0|1,0,2]=4 4002 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,1,0,0,0,0|1,0,2]=4 4003 B9R0.45 CC#CCSCCCCF 62a_100000729493_100000748600 [0,1,0,0,0,0|1,0,2]=4 4004 B9R0.45 CC#CCSCCCCF 62a_100000748600_100000729493 [0,1,0,0,0,0|1,0,2]=4 4005 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [0,1,0,0,0,0|0,0,2]=3 4006 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [0,1,0,0,0,0|0,0,2]=3 4007 B9R0.45 CC#CCSCCCOC 62a_100000709357_100000748600 [0,1,0,0,0,0|1,0,2]=4 4008 B9R0.45 CC#CCSCCCOC 62a_100000748600_100000709357 [0,1,0,0,0,0|1,0,2]=4 4009 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,1,0,0,0,0|1,0,2]=4 4010 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,1,0,0,0,0|1,0,2]=4 4011 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,1,0,0,0,0|1,0,2]=4 4012 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,1,0,0,0,0|1,0,2]=4 4013 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,1,0,0,0,0|0,0,2]=3 4014 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,1,0,0,0,0|0,0,2]=3 4015 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,1,0,0,0,0|0,0,2]=3 4016 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,1,0,0,0,0|0,0,2]=3 4017 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [0,1,0,0,0,0|1,0,2]=4 4018 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,1,0,0,0,0|0,0,2]=3 4019 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,1,0,0,0,0|0,0,2]=3 4020 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [0,1,0,0,0,0|1,0,2]=4 4021 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,1,0,0,0,0|1,0,2]=4 4022 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,1,0,0,0,0|1,0,2]=4 4023 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,1,0,0,0,0|1,0,2]=4 4024 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [0,1,0,0,0,0|1,0,2]=4 4025 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [0,1,0,0,0,0|1,0,2]=4 4026 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [0,1,0,0,0,0|1,0,2]=4 4027 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,1,0,0,0,0|0,0,2]=3 4028 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,1,0,0,0,0|0,0,2]=3 4029 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,1,0,0,0,0|1,0,2]=4 4030 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,1,0,0,0,0|1,0,2]=4 4031 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,1,0,0,0,0|1,0,2]=4 4032 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,1,0,0,0,0|1,0,2]=4 4033 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,1,0,0,0,0|0,0,2]=3 4034 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,1,0,0,0,0|0,0,2]=3 4035 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,1,0,0,0,0|1,0,2]=4 4036 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,1,0,0,0,0|1,0,2]=4 4037 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,1,0,0,0,0|1,0,2]=4 4038 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,1,0,0,0,0|1,0,2]=4 4039 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [0,1,0,0,0,0|1,0,2]=4 4040 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [0,1,0,0,0,0|1,0,2]=4 4041 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,1,0,0,0,0|1,0,2]=4 4042 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [0,1,0,0,0,0|1,0,2]=4 4043 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,1,0,0,0,0|1,0,2]=4 4044 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,1,0,0,0,0|1,0,2]=4 4045 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,1,0,0,0,0|1,0,2]=4 4046 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [0,1,0,0,0,0|1,0,2]=4 4047 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [0,1,0,0,0,0|1,0,2]=4 4048 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [0,1,0,0,0,0|1,0,2]=4 4049 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [0,1,0,0,0,0|1,0,2]=4 4050 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,1,0,0,0,0|0,0,2]=3 4051 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,1,0,0,0,0|1,0,2]=4 4052 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,1,0,0,0,0|1,0,2]=4 4053 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,1,0,0,0,0|1,0,2]=4 4054 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,1,0,0,0,0|1,0,2]=4 4055 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,1,0,0,0,0|1,0,2]=4 4056 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,1,0,0,0,0|1,0,2]=4 4057 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,1,0,0,0,0|1,0,2]=4 4058 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,1,0,0,0,0|0,0,2]=3 4059 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,1,0,0,0,0|0,0,2]=3 4060 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,1,0,0,0,0|1,0,2]=4 4061 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,1,0,0,0,0|1,0,2]=4 4062 B9R0.45 CC=C=CCCOCCO 34a_100011020354_100000211926 [0,1,0,0,0,0|0,0,3]=4 4063 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,1,0,0,0,0|1,0,2]=4 4064 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [0,1,0,0,0,0|1,0,2]=4 4065 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,1,0,0,0,0|0,0,2]=3 4066 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,1,0,0,0,0|1,0,2]=4 4067 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,1,0,0,0,0|0,0,2]=3 4068 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,1,0,0,0,0|0,0,2]=3 4069 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,1,0,0,0,0|1,0,2]=4 4070 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,1,0,0,0,0|1,0,2]=4 4071 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,0,0,0,0|1,0,2]=4 4072 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,0,0,0,0|1,0,2]=4 4073 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,1,0,0,0,0|1,0,2]=4 4074 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,1,0,0,0,0|1,0,2]=4 4075 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,1,0,0,0,0|1,0,2]=4 4076 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,1,0,0,0,0|1,0,2]=4 4077 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,1,0,0,0,0|1,0,2]=4 4078 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,1,0,0,0,0|1,0,2]=4 4079 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,1,0,0,0,0|1,0,2]=4 4080 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,1,0,0,0,0|1,0,2]=4 4081 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,1,0,0,0,0|1,0,2]=4 4082 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,1,0,0,0,0|1,0,2]=4 4083 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,1,0,0,0,0|1,0,2]=4 4084 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,1,0,0,0,0|0,0,2]=3 4085 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,1,0,0,0,0|0,0,2]=3 4086 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,1,0,0,0,0|1,0,2]=4 4087 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,1,0,0,0,0|1,0,2]=4 4088 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [0,1,0,0,0,0|1,0,2]=4 4089 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [0,1,0,0,0,0|1,0,2]=4 4090 B9R0.45 CCC#CCCOCCF 34a_100000036655_100011217306 [0,1,0,0,0,0|1,0,2]=4 4091 B9R0.45 CCC#CCCOCCF 7a_100000036655_100011217306 [0,1,0,0,0,0|1,0,2]=4 4092 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [0,1,0,0,0,0|0,0,2]=3 4093 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [0,1,0,0,0,0|0,0,2]=3 4094 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [0,1,0,0,0,0|1,0,2]=4 4095 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [0,1,0,0,0,0|1,0,2]=4 4096 B9R0.45 CCC#CCNCCCF 2230a_100015189416_100009813939 [0,1,0,0,0,0|1,0,2]=4 4097 B9R0.45 CCC#CCNCCCF 34a_100015189416_100009813939 [0,1,0,0,0,0|1,0,2]=4 4098 B9R0.45 CCC#CCNCCOC 2230a_100000209980_100009813939 [0,1,0,0,0,0|1,0,2]=4 4099 B9R0.45 CCC#CCOCCCBr 34a_100011217188_100009813939 [0,1,0,0,0,0|1,0,2]=4 4100 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [0,1,0,0,0,0|1,0,2]=4 4101 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [0,1,0,0,0,0|1,0,2]=4 4102 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [0,1,0,0,0,0|1,0,2]=4 4103 B9R0.45 CCC#CCOCCCCl 34a_100000230001_100009813939 [0,1,0,0,0,0|1,0,2]=4 4104 B9R0.45 CCC#CCOCCCF 34a_100000032950_100011934791 [0,1,0,0,0,0|1,0,2]=4 4105 B9R0.45 CCC#CCOCCCF 34a_100000759539_100009813939 [0,1,0,0,0,0|1,0,2]=4 4106 B9R0.45 CCC#CCOCCCN 34a_100000182051_100009813939 [0,1,0,0,0,0|1,0,2]=4 4107 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [0,1,0,0,0,0|0,0,2]=3 4108 B9R0.45 CCC#CCOCCOC 34a_100000032950_100011201679 [0,1,0,0,0,0|1,0,2]=4 4109 B9R0.45 CCC#CCOCCOC 34a_100000210237_100009813939 [0,1,0,0,0,0|1,0,2]=4 4110 B9R0.45 CCC#CCOCCON 34a_100000700252_100009813939 [0,1,0,0,0,0|1,0,2]=4 4111 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [0,1,0,0,0,0|1,0,2]=4 4112 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [0,1,0,0,0,0|1,0,2]=4 4113 B9R0.45 CCC#CCSCCCF 62a_100009813939_100011934791 [0,1,0,0,0,0|1,0,2]=4 4114 B9R0.45 CCC#CCSCCCF 62a_100011934791_100009813939 [0,1,0,0,0,0|1,0,2]=4 4115 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,1,0,0,0,0|0,0,2]=3 4116 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,1,0,0,0,0|0,0,2]=3 4117 B9R0.45 CCC#CCSCCOC 62a_100000233755_100009813939 [0,1,0,0,0,0|1,0,2]=4 4118 B9R0.45 CCC#CCSCCOC 62a_100009813939_100000233755 [0,1,0,0,0,0|1,0,2]=4 4119 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,1,0,0,0,0|1,0,2]=4 4120 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,1,0,0,0,0|1,0,2]=4 4121 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,1,0,0,0,0|1,0,2]=4 4122 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,1,0,0,0,0|1,0,2]=4 4123 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,1,0,0,0,0|0,0,2]=3 4124 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,1,0,0,0,0|0,0,2]=3 4125 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,1,0,0,0,0|2,0,1]=4 4126 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [0,1,0,0,0,0|1,0,2]=4 4127 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [0,1,0,0,0,0|1,0,2]=4 4128 B9R0.45 CCCC#CCCOCF 34a_100000042726_100015361967 [0,1,0,0,0,0|1,0,2]=4 4129 B9R0.45 CCCC#CCCOCF 7a_100000042726_100015361967 [0,1,0,0,0,0|1,0,2]=4 4130 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [0,1,0,0,0,0|1,0,2]=4 4131 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [0,1,0,0,0,0|1,0,2]=4 4132 B9R0.45 CCCC#CCOCCF 34a_100000034806_100011217306 [0,1,0,0,0,0|1,0,2]=4 4133 B9R0.45 CCCC#CCOCCF 7a_100000034806_100011217306 [0,1,0,0,0,0|1,0,2]=4 4134 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,1,0,0,0,0|0,0,2]=3 4135 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,1,0,0,0,0|0,0,2]=3 4136 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,1,0,0,0,0|1,0,2]=4 4137 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,1,0,0,0,0|1,0,2]=4 4138 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,1,0,0,0,0|1,0,2]=4 4139 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,1,0,0,0,0|1,0,2]=4 4140 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,1,0,0,0,0|0,0,2]=3 4141 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,1,0,0,0,0|0,0,2]=3 4142 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,1,0,0,0,0|0,0,2]=3 4143 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,1,0,0,0,0|0,0,2]=3 4144 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,1,0,0,0,0|2,0,1]=4 4145 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,1,0,0,0,0|0,0,2]=3 4146 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,1,0,0,0,0|0,0,2]=3 4147 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,1,0,0,0,0|0,0,2]=3 4148 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,1,0,0,0,0|0,0,2]=3 4149 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [0,1,0,0,0,0|1,0,2]=4 4150 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [0,1,0,0,0,0|1,0,2]=4 4151 B9R0.45 CCCCC#CCOCF 34a_200000034558_100015361967 [0,1,0,0,0,0|1,0,2]=4 4152 B9R0.45 CCCCC#CCOCF 7a_200000034558_100015361967 [0,1,0,0,0,0|1,0,2]=4 4153 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,1,0,0,0,0|0,0,2]=3 4154 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,1,0,0,0,0|0,0,2]=3 4155 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,1,0,0,0,0|0,0,2]=3 4156 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,1,0,0,0,0|0,0,2]=3 4157 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [0,1,0,0,0,0|2,0,1]=4 4158 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [0,1,0,0,0,0|1,0,1]=3 4159 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [0,1,0,0,0,0|1,0,2]=4 4160 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [0,1,0,0,0,0|1,0,2]=4 4161 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [0,1,0,0,0,0|1,0,2]=4 4162 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,1,0,0,0,0|0,0,2]=3 4163 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,1,0,0,0,0|0,0,2]=3 4164 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,1,0,0,0,0|0,0,2]=3 4165 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,1,0,0,0,0|0,0,2]=3 4166 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,1,0,0,0,0|0,0,2]=3 4167 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [0,1,0,0,0,0|0,1,2]=4 4168 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [0,1,0,0,0,0|0,1,2]=4 4169 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [0,1,0,0,0,0|0,1,2]=4 4170 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [0,1,0,0,0,0|0,1,2]=4 4171 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,1,0,0,0,0|2,0,1]=4 4172 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,1,0,0,0,0|1,0,0]=2 4173 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,1,0,0,0,0|1,0,0]=2 4174 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,1,0,0,0,0|1,0,0]=2 4175 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,1,0,0,0,0|1,0,0]=2 4176 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,1,0,0,0,0|1,0,0]=2 4177 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,1,0,0,0,0|1,0,0]=2 4178 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,1,0,0,0,0|1,0,0]=2 4179 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,1,0,0,0,0|0,0,0]=1 4180 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,1,0,0,0,0|0,0,0]=1 4181 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,1,0,0,0,0|0,0,0]=1 4182 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,1,0,0,0,0|0,0,0]=1 4183 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,1,0,0,0,0|0,0,0]=1 4184 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,1,0,0,0,0|0,1,0]=2 4185 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,1,0,0,0,0|0,1,0]=2 4186 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,1,0,0,0,0|0,1,0]=2 4187 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,1,0,0,0,0|0,1,0]=2 4188 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,1,0,0,0,0|1,0,0]=2 4189 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,1,0,0,0,0|1,0,0]=2 4190 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,1,0,0,0,0|1,0,0]=2 4191 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,1,0,0,0,0|1,0,0]=2 4192 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,1,0,0,0,0|1,0,0]=2 4193 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,1,0,0,0,0|1,0,0]=2 4194 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,1,0,0,0,0|1,0,0]=2 4195 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,1,0,0,0,0|1,0,0]=2 4196 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,1,0,0,0,0|1,0,0]=2 4197 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,1,0,0,0,0|1,0,0]=2 4198 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,1,0,0,0,0|1,0,0]=2 4199 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,1,0,0,0,0|1,0,1]=3 4200 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,1,0,0,0,0|0,0,2]=3 4201 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,1,0,0,0,0|1,0,0]=2 4202 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,1,0,0,0,0|1,0,0]=2 4203 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,1,0,0,0,0|1,0,0]=2 4204 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,1,0,0,0,0|0,0,0]=1 4205 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,1,0,0,0,0|0,0,0]=1 4206 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,1,0,0,0,0|0,0,0]=1 4207 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,1,0,0,0,0|1,0,0]=2 4208 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,1,0,0,0,0|1,1,0]=3 4209 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,1,0,0,0,0|1,0,1]=3 4210 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,1,0,0,0,0|0,0,2]=3 4211 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,1,0,0,0,0|0,0,2]=3 4212 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,1,0,0,0,0|1,0,0]=2 4213 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,1,0,0,0,0|1,0,0]=2 4214 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,1,0,0,0,0|1,0,0]=2 4215 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,1,0,0,0,0|1,0,0]=2 4216 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,1,0,0,0,0|1,0,0]=2 4217 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,1,0,0,0,0|1,0,0]=2 4218 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,1,0,0,0,0|1,0,0]=2 4219 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,1,0,0,0,0|0,0,0]=1 4220 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,1,0,0,0,0|0,0,0]=1 4221 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,1,0,0,0,0|1,1,0]=3 4222 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,1,0,0,0,0|1,0,1]=3 4223 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,1,0,0,0,0|1,0,1]=3 4224 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,1,0,0,0,0|0,0,2]=3 4225 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,1,0,0,0,0|0,0,2]=3 4226 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,1,0,0,0,0|1,0,0]=2 4227 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,1,0,0,0,0|1,0,0]=2 4228 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,1,0,0,0,0|1,0,0]=2 4229 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,1,0,0,0,0|1,0,0]=2 4230 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,1,0,0,0,0|0,0,0]=1 4231 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,1,0,0,0,0|0,0,0]=1 4232 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,1,0,0,0,0|1,0,0]=2 4233 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,1,0,0,0,0|1,0,0]=2 4234 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,1,0,0,0,0|1,1,0]=3 4235 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,1,0,0,0,0|1,1,0]=3 4236 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,1,0,0,0,0|1,0,1]=3 4237 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,1,0,0,0,0|1,0,0]=2 4238 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,1,0,0,0,0|1,0,0]=2 4239 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,1,0,0,0,0|1,0,0]=2 4240 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,1,0,0,0,0|1,0,0]=2 4241 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,1,0,0,0,0|1,0,0]=2 4242 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,1,0,0,0,0|1,0,0]=2 4243 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,1,0,0,0,0|0,0,0]=1 4244 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,1,0,0,0,0|1,0,0]=2 4245 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,1,0,0,0,0|1,0,0]=2 4246 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,1,0,0,0,0|1,0,0]=2 4247 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,1,0,0,0,0|1,0,0]=2 4248 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,1,0,0,0,0|1,1,0]=3 4249 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,1,0,0,0,0|1,1,0]=3 4250 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,1,0,0,0,0|1,0,1]=3 4251 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,1,0,0,0,0|1,0,0]=2 4252 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,1,0,0,0,0|1,0,0]=2 4253 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,1,0,0,0,0|1,0,0]=2 4254 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,1,0,0,0,0|1,0,0]=2 4255 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,1,0,0,0,0|1,0,0]=2 4256 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,1,0,0,0,0|1,0,0]=2 4257 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,1,0,0,0,0|1,0,0]=2 4258 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,1,0,0,0,0|1,0,0]=2 4259 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,1,0,0,0,0|1,0,0]=2 4260 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,1,0,0,0,0|1,0,0]=2 4261 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,1,0,0,0,0|0,0,0]=1 4262 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,1,0,0,0,0|0,0,0]=1 4263 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,1,0,0,0,0|1,0,0]=2 4264 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,1,0,0,0,0|1,0,0]=2 4265 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,1,0,0,0,0|1,0,0]=2 4266 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,1,0,0,0,0|1,0,0]=2 4267 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,1,0,0,0,0|1,0,0]=2 4268 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,1,0,0,0,0|1,0,0]=2 4269 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,1,0,0,0,0|1,0,0]=2 4270 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,1,0,0,0,0|1,0,0]=2 4271 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,1,0,0,0,0|1,1,0]=3 4272 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,1,0,0,0,0|1,1,0]=3 4273 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,1,0,0,0,0|1,1,0]=3 4274 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,1,0,0,0,0|1,1,0]=3 4275 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,1,0,0,0,0|1,0,1]=3 4276 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,1,0,0,0,0|1,0,1]=3 4277 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,1,0,0,0,0|1,0,0]=2 4278 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,1,0,0,0,0|1,0,0]=2 4279 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,1,0,0,0,0|1,0,0]=2 4280 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,1,0,0,0,0|1,0,0]=2 4281 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,1,0,0,0,0|0,0,0]=1 4282 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,1,0,0,0,0|0,0,0]=1 4283 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,1,0,0,0,0|1,0,0]=2 4284 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,1,0,0,0,0|1,0,0]=2 4285 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,1,0,0,0,0|1,1,0]=3 4286 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,1,0,0,0,0|1,1,0]=3 4287 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,1,0,0,0,0|2,0,0]=3 4288 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,1,0,0,0,0|2,0,0]=3 4289 B9R0.45 CCCCCSCSC#N 62a_100000210326_100000211825 [0,1,0,0,0,0|2,0,1]=4 4290 B9R0.45 CCCCCSCSC#N 62a_100000211825_100000210326 [0,1,0,0,0,0|2,0,1]=4 4291 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [0,1,0,0,0,0|0,0,2]=3 4292 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [0,1,0,0,0,0|0,0,2]=3 4293 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,1,0,0,0,0|1,0,1]=3 4294 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,1,0,0,0,0|1,0,1]=3 4295 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,1,0,0,0,0|0,0,2]=3 4296 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,1,0,0,0,0|0,0,2]=3 4297 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,1,0,0,0,0|1,0,0]=2 4298 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,1,0,0,0,0|1,0,0]=2 4299 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,1,0,0,0,0|0,0,0]=1 4300 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,1,0,0,0,0|0,0,0]=1 4301 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,1,0,0,0,0|0,0,0]=1 4302 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,1,0,0,0,0|0,0,0]=1 4303 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,1,0,0,0,0|1,0,0]=2 4304 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,1,0,0,0,0|1,0,0]=2 4305 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,1,0,0,0,0|1,0,0]=2 4306 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,1,0,0,0,0|1,1,0]=3 4307 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,1,0,0,0,0|2,0,0]=3 4308 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,1,0,0,0,0|2,0,0]=3 4309 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,1,0,0,0,0|2,0,0]=3 4310 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,1,0,0,0,0|2,0,0]=3 4311 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,1,0,0,0,0|2,0,0]=3 4312 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,1,0,0,0,0|2,0,0]=3 4313 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,1,0,0,0,0|2,0,0]=3 4314 B9R0.45 CCCCOCC#CCCl 34a_200000047223_100000210210 [0,1,0,0,0,0|1,0,2]=4 4315 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [0,1,0,0,0,0|0,0,2]=3 4316 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [0,1,0,0,0,0|0,0,2]=3 4317 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,1,0,0,0,0|1,0,1]=3 4318 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,1,0,0,0,0|0,0,2]=3 4319 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,1,0,0,0,0|1,0,0]=2 4320 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,1,0,0,0,0|1,0,0]=2 4321 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,1,0,0,0,0|1,0,0]=2 4322 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,1,0,0,0,0|1,0,0]=2 4323 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,1,0,0,0,0|1,0,0]=2 4324 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,1,0,0,0,0|1,0,0]=2 4325 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,1,0,0,0,0|1,0,0]=2 4326 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,1,0,0,0,0|1,0,0]=2 4327 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,1,0,0,0,0|1,0,0]=2 4328 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,1,0,0,0,0|0,0,0]=1 4329 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,1,0,0,0,0|0,0,0]=1 4330 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,1,0,0,0,0|2,0,0]=3 4331 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,1,0,0,0,0|2,0,0]=3 4332 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,1,0,0,0,0|2,0,0]=3 4333 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,1,0,0,0,0|2,0,0]=3 4334 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,1,0,0,0,0|2,0,0]=3 4335 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,1,0,0,0,0|1,0,0]=2 4336 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,1,0,0,0,0|1,0,0]=2 4337 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,1,0,0,0,0|1,0,0]=2 4338 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,1,0,0,0,0|1,0,0]=2 4339 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,1,0,0,0,0|1,0,0]=2 4340 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,1,0,0,0,0|1,0,0]=2 4341 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,1,0,0,0,0|1,0,0]=2 4342 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,1,0,0,0,0|1,1,0]=3 4343 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,1,0,0,0,0|1,1,0]=3 4344 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,1,0,0,0,0|2,0,0]=3 4345 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,1,0,0,0,0|2,0,0]=3 4346 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,1,0,0,0,0|2,0,0]=3 4347 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,1,0,0,0,0|2,0,0]=3 4348 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,1,0,0,0,0|2,0,0]=3 4349 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,1,0,0,0,0|2,0,0]=3 4350 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,1,0,0,0,0|2,0,0]=3 4351 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,1,0,0,0,0|2,0,0]=3 4352 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,1,0,0,0,0|2,0,0]=3 4353 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,1,0,0,0,0|2,0,0]=3 4354 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,1,0,0,0,0|2,0,0]=3 4355 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,1,0,0,0,0|2,0,0]=3 4356 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,1,0,0,0,0|2,0,0]=3 4357 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,1,0,0,0,0|2,0,0]=3 4358 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,1,0,0,0,0|2,0,0]=3 4359 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,1,0,0,0,0|2,0,0]=3 4360 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,1,0,0,0,0|2,0,0]=3 4361 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,1,0,0,0,0|2,0,0]=3 4362 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,1,0,0,0,0|2,0,0]=3 4363 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,1,0,0,0,0|1,0,0]=2 4364 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,1,0,0,0,0|1,0,0]=2 4365 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,1,0,0,0,0|2,0,0]=3 4366 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,1,0,0,0,0|2,0,0]=3 4367 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,1,0,0,0,0|2,0,0]=3 4368 B9R0.45 CCCCOCSCC#N 62a_100011215382_100011995733 [0,1,0,0,0,0|2,0,1]=4 4369 B9R0.45 CCCCOCSCC#N 62a_100011995733_100011215382 [0,1,0,0,0,0|2,0,1]=4 4370 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,1,0,0,0,0|1,0,2]=4 4371 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,1,0,0,0,0|1,0,2]=4 4372 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,1,0,0,0,0|2,0,0]=3 4373 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,1,0,0,0,0|2,0,0]=3 4374 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,1,0,0,0,0|2,0,0]=3 4375 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,1,0,0,0,0|2,0,0]=3 4376 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,1,0,0,0,0|1,0,0]=2 4377 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,1,0,0,0,0|1,0,0]=2 4378 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,1,0,0,0,0|2,0,0]=3 4379 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,1,0,0,0,0|2,0,0]=3 4380 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [0,1,0,0,0,0|2,1,0]=4 4381 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [0,1,0,0,0,0|2,1,0]=4 4382 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [0,1,0,0,0,0|0,0,2]=3 4383 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [0,1,0,0,0,0|0,0,2]=3 4384 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,1,0,0,0,0|1,0,1]=3 4385 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,1,0,0,0,0|1,0,1]=3 4386 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,1,0,0,0,0|0,0,2]=3 4387 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,1,0,0,0,0|0,0,2]=3 4388 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,1,0,0,0,0|1,0,0]=2 4389 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,1,0,0,0,0|1,0,0]=2 4390 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,1,0,0,0,0|0,0,0]=1 4391 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,1,0,0,0,0|0,0,0]=1 4392 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,1,0,0,0,0|1,0,0]=2 4393 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,1,0,0,0,0|1,0,0]=2 4394 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,1,0,0,0,0|2,0,0]=3 4395 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,1,0,0,0,0|2,0,0]=3 4396 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,1,0,0,0,0|2,0,0]=3 4397 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,1,0,0,0,0|2,0,0]=3 4398 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,1,0,0,0,0|2,0,0]=3 4399 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,1,0,0,0,0|2,0,0]=3 4400 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,1,0,0,0,0|2,0,0]=3 4401 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,1,0,0,0,0|2,0,1]=4 4402 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,1,0,0,0,0|2,0,1]=4 4403 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,1,0,0,0,0|2,0,0]=3 4404 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,1,0,0,0,0|2,0,0]=3 4405 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,1,0,0,0,0|0,0,0]=1 4406 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,1,0,0,0,0|0,0,0]=1 4407 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,1,0,0,0,0|3,0,0]=4 4408 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,1,0,0,0,0|2,0,0]=3 4409 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,1,0,0,0,0|2,0,0]=3 4410 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,1,0,0,0,0|2,0,0]=3 4411 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,1,0,0,0,0|2,0,0]=3 4412 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,1,0,0,0,0|1,0,0]=2 4413 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,1,0,0,0,0|1,0,0]=2 4414 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,1,0,0,0,0|2,0,0]=3 4415 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,1,0,0,0,0|1,0,0]=2 4416 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,1,0,0,0,0|1,0,0]=2 4417 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,1,0,0,0,0|1,0,0]=2 4418 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,1,0,0,0,0|1,0,0]=2 4419 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,1,0,0,0,0|1,0,0]=2 4420 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,1,0,0,0,0|1,0,0]=2 4421 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,1,0,0,0,0|1,0,0]=2 4422 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,1,0,0,0,0|1,0,0]=2 4423 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,1,0,0,0,0|1,0,0]=2 4424 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,1,0,0,0,0|0,0,0]=1 4425 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,1,0,0,0,0|1,0,0]=2 4426 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,1,0,0,0,0|1,0,0]=2 4427 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,1,0,0,0,0|1,1,0]=3 4428 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,1,0,0,0,0|1,1,0]=3 4429 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,1,0,0,0,0|2,0,0]=3 4430 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,1,0,0,0,0|2,0,0]=3 4431 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,1,0,0,0,0|2,0,0]=3 4432 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,1,0,0,0,0|2,0,0]=3 4433 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,1,0,0,0,0|2,0,0]=3 4434 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,1,0,0,0,0|2,0,0]=3 4435 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,1,0,0,0,0|2,0,0]=3 4436 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,1,0,0,0,0|2,0,0]=3 4437 B9R0.45 CCCOCCNCC#N 2230a_100161115042_100011215382 [0,1,0,0,0,0|2,0,1]=4 4438 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,1,0,0,0,0|1,0,2]=4 4439 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,1,0,0,0,0|1,0,2]=4 4440 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,1,0,0,0,0|2,0,0]=3 4441 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,1,0,0,0,0|2,0,0]=3 4442 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,1,0,0,0,0|2,0,0]=3 4443 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,1,0,0,0,0|1,0,0]=2 4444 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,1,0,0,0,0|1,0,0]=2 4445 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,1,0,0,0,0|1,0,0]=2 4446 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,1,0,0,0,0|1,0,0]=2 4447 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,1,0,0,0,0|2,0,0]=3 4448 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [0,1,0,0,0,0|2,1,0]=4 4449 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [0,1,0,0,0,0|2,1,0]=4 4450 B9R0.45 CCCOCCOCC#N 7a_100000752267_100011215382 [0,1,0,0,0,0|2,0,1]=4 4451 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,1,0,0,0,0|1,0,2]=4 4452 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,1,0,0,0,0|1,0,2]=4 4453 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,1,0,0,0,0|2,0,0]=3 4454 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,1,0,0,0,0|2,0,0]=3 4455 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,1,0,0,0,0|2,0,0]=3 4456 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,1,0,0,0,0|2,0,0]=3 4457 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,1,0,0,0,0|2,0,0]=3 4458 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,1,0,0,0,0|2,0,0]=3 4459 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,1,0,0,0,0|2,0,0]=3 4460 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,1,0,0,0,0|2,0,0]=3 4461 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,1,0,0,0,0|2,0,0]=3 4462 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,1,0,0,0,0|2,0,0]=3 4463 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,1,0,0,0,0|2,0,0]=3 4464 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,1,0,0,0,0|2,0,0]=3 4465 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,1,0,0,0,0|2,0,0]=3 4466 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,1,0,0,0,0|2,0,0]=3 4467 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,1,0,0,0,0|2,0,0]=3 4468 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,1,0,0,0,0|2,0,0]=3 4469 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,1,0,0,0,0|1,0,0]=2 4470 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,1,0,0,0,0|1,0,0]=2 4471 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,1,0,0,0,0|1,0,0]=2 4472 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,1,0,0,0,0|2,1,0]=4 4473 B9R0.45 CCCOCCSCC#N 62a_100011215382_100011215938 [0,1,0,0,0,0|2,0,1]=4 4474 B9R0.45 CCCOCCSCC#N 62a_100011215938_100011215382 [0,1,0,0,0,0|2,0,1]=4 4475 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,1,0,0,0,0|1,0,2]=4 4476 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,1,0,0,0,0|1,0,2]=4 4477 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,1,0,0,0,0|2,0,0]=3 4478 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,1,0,0,0,0|2,0,0]=3 4479 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,1,0,0,0,0|2,0,0]=3 4480 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,1,0,0,0,0|2,0,0]=3 4481 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,1,0,0,0,0|2,0,0]=3 4482 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,1,0,0,0,0|2,0,0]=3 4483 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,1,0,0,0,0|1,0,0]=2 4484 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,1,0,0,0,0|1,0,0]=2 4485 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,1,0,0,0,0|2,0,0]=3 4486 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,1,0,0,0,0|2,0,0]=3 4487 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [0,1,0,0,0,0|2,1,0]=4 4488 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [0,1,0,0,0,0|2,1,0]=4 4489 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,1,0,0,0,0|1,0,1]=3 4490 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,1,0,0,0,0|1,0,1]=3 4491 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,1,0,0,0,0|0,0,2]=3 4492 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,1,0,0,0,0|0,0,2]=3 4493 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,1,0,0,0,0|1,0,0]=2 4494 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,1,0,0,0,0|1,0,0]=2 4495 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,1,0,0,0,0|0,0,0]=1 4496 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,1,0,0,0,0|0,0,0]=1 4497 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,1,0,0,0,0|1,0,0]=2 4498 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,1,0,0,0,0|1,0,0]=2 4499 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,1,0,0,0,0|2,0,0]=3 4500 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,1,0,0,0,0|2,0,0]=3 4501 B9R0.45 CCCSCCNCC#N 2230a_100020603323_100011215382 [0,1,0,0,0,0|2,0,1]=4 4502 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,1,0,0,0,0|1,0,2]=4 4503 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,1,0,0,0,0|2,0,0]=3 4504 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,1,0,0,0,0|1,0,0]=2 4505 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,1,0,0,0,0|2,0,0]=3 4506 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [0,1,0,0,0,0|2,1,0]=4 4507 B9R0.45 CCCSCCOCC#N 62a_100000210303_200000047693 [0,1,0,0,0,0|2,0,1]=4 4508 B9R0.45 CCCSCCOCC#N 62a_200000047693_100000210303 [0,1,0,0,0,0|2,0,1]=4 4509 B9R0.45 CCCSCCOCC#N 7a_200000230433_100011215382 [0,1,0,0,0,0|2,0,1]=4 4510 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,1,0,0,0,0|1,0,2]=4 4511 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,1,0,0,0,0|1,0,2]=4 4512 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,1,0,0,0,0|2,0,0]=3 4513 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,1,0,0,0,0|2,0,0]=3 4514 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,1,0,0,0,0|1,0,0]=2 4515 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,1,0,0,0,0|1,0,0]=2 4516 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,1,0,0,0,0|1,0,0]=2 4517 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,1,0,0,0,0|1,0,0]=2 4518 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,1,0,0,0,0|2,1,0]=4 4519 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,1,0,0,0,0|2,0,0]=3 4520 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,1,0,0,0,0|2,0,0]=3 4521 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,1,0,0,0,0|1,0,1]=3 4522 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,1,0,0,0,0|0,0,2]=3 4523 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,1,0,0,0,0|1,0,0]=2 4524 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,1,0,0,0,0|0,0,0]=1 4525 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,1,0,0,0,0|0,0,0]=1 4526 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,1,0,0,0,0|0,0,0]=1 4527 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,1,0,0,0,0|1,0,0]=2 4528 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,1,0,0,0,0|1,0,0]=2 4529 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,1,0,0,0,0|3,0,0]=4 4530 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,1,0,0,0,0|2,0,0]=3 4531 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,1,0,0,0,0|2,0,0]=3 4532 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,1,0,0,0,0|2,0,0]=3 4533 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [0,1,0,0,0,0|1,0,1]=3 4534 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,1,0,0,0,0|1,0,0]=2 4535 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,1,0,0,0,0|1,0,0]=2 4536 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,1,0,0,0,0|1,0,0]=2 4537 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,1,0,0,0,0|1,0,0]=2 4538 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,1,0,0,0,0|1,0,0]=2 4539 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,1,0,0,0,0|1,0,0]=2 4540 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,1,0,0,0,0|1,0,0]=2 4541 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,1,0,0,0,0|1,0,0]=2 4542 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,1,0,0,0,0|0,0,0]=1 4543 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,1,0,0,0,0|2,0,0]=3 4544 B9R0.45 CCOCCCNCC#N 2230a_100000210961_100011215382 [0,1,0,0,0,0|2,0,1]=4 4545 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,1,0,0,0,0|1,0,2]=4 4546 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,1,0,0,0,0|1,0,2]=4 4547 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,1,0,0,0,0|2,0,0]=3 4548 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,1,0,0,0,0|2,0,0]=3 4549 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,1,0,0,0,0|2,0,0]=3 4550 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,1,0,0,0,0|1,0,0]=2 4551 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,1,0,0,0,0|1,0,0]=2 4552 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,1,0,0,0,0|1,0,0]=2 4553 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,1,0,0,0,0|1,0,0]=2 4554 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,1,0,0,0,0|2,0,0]=3 4555 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,1,0,0,0,0|2,1,0]=4 4556 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,1,0,0,0,0|2,1,0]=4 4557 B9R0.45 CCOCCCOCC#N 7a_100000757476_100011215382 [0,1,0,0,0,0|2,0,1]=4 4558 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,1,0,0,0,0|1,0,2]=4 4559 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,1,0,0,0,0|1,0,2]=4 4560 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,1,0,0,0,0|2,0,0]=3 4561 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,1,0,0,0,0|2,0,0]=3 4562 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,1,0,0,0,0|2,0,0]=3 4563 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,1,0,0,0,0|2,0,0]=3 4564 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,1,0,0,0,0|1,0,0]=2 4565 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,1,0,0,0,0|1,0,0]=2 4566 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,1,0,0,0,0|2,1,0]=4 4567 B9R0.45 CCOCCCSCC#N 62a_100011215382_100012232248 [0,1,0,0,0,0|2,0,1]=4 4568 B9R0.45 CCOCCCSCC#N 62a_100012232248_100011215382 [0,1,0,0,0,0|2,0,1]=4 4569 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,1,0,0,0,0|1,0,2]=4 4570 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,1,0,0,0,0|1,0,2]=4 4571 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,1,0,0,0,0|2,0,0]=3 4572 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,1,0,0,0,0|2,0,0]=3 4573 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,1,0,0,0,0|1,0,0]=2 4574 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,1,0,0,0,0|1,0,0]=2 4575 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,1,0,0,0,0|2,0,0]=3 4576 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,1,0,0,0,0|2,0,0]=3 4577 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,1,0,0,0,0|2,1,0]=4 4578 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,1,0,0,0,0|2,1,0]=4 4579 B9R0.45 CCOCCNCCC#N 2230a_102516460346_100011215226 [0,1,0,0,0,0|2,0,1]=4 4580 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,1,0,0,0,0|2,0,0]=3 4581 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,1,0,0,0,0|2,0,0]=3 4582 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,1,0,0,0,0|2,0,0]=3 4583 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,1,0,0,0,0|2,0,0]=3 4584 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,1,0,0,0,0|1,0,0]=2 4585 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,1,0,0,0,0|1,0,0]=2 4586 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,1,0,0,0,0|2,0,0]=3 4587 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,1,0,0,0,0|2,0,0]=3 4588 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,1,0,0,0,0|2,0,0]=3 4589 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,1,0,0,0,0|2,1,0]=4 4590 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,1,0,0,0,0|2,1,0]=4 4591 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,1,0,0,0,0|2,1,0]=4 4592 B9R0.45 CCOCCOCCC#N 7a_100000210136_100000184422 [0,1,0,0,0,0|2,0,1]=4 4593 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,1,0,0,0,0|2,0,0]=3 4594 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,1,0,0,0,0|2,0,0]=3 4595 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,1,0,0,0,0|2,0,0]=3 4596 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,1,0,0,0,0|2,0,0]=3 4597 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,1,0,0,0,0|2,0,0]=3 4598 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,1,0,0,0,0|2,0,0]=3 4599 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,1,0,0,0,0|1,0,0]=2 4600 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,1,0,0,0,0|1,0,0]=2 4601 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,1,0,0,0,0|3,0,0]=4 4602 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,1,0,0,0,0|3,0,0]=4 4603 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,1,0,0,0,0|3,0,0]=4 4604 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,1,0,0,0,0|3,0,0]=4 4605 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,1,0,0,0,0|3,0,0]=4 4606 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,1,0,0,0,0|3,0,0]=4 4607 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,1,0,0,0,0|3,0,0]=4 4608 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,1,0,0,0,0|3,0,0]=4 4609 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,1,0,0,0,0|2,0,0]=3 4610 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,1,0,0,0,0|2,0,0]=3 4611 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,1,0,0,0,0|2,0,0]=3 4612 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,1,0,0,0,0|2,0,0]=3 4613 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,1,0,0,0,0|2,0,0]=3 4614 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,1,0,0,0,0|2,0,0]=3 4615 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,1,0,0,0,0|2,0,0]=3 4616 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,1,0,0,0,0|2,0,0]=3 4617 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,1,0,0,0,0|2,0,0]=3 4618 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,1,0,0,0,0|2,0,0]=3 4619 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,1,0,0,0,0|2,0,0]=3 4620 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,1,0,0,0,0|2,0,0]=3 4621 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,1,0,0,0,0|2,1,0]=4 4622 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,1,0,0,0,0|2,1,0]=4 4623 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,1,0,0,0,0|2,1,0]=4 4624 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,1,0,0,0,0|2,1,0]=4 4625 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,1,0,0,0,0|2,1,0]=4 4626 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,1,0,0,0,0|2,1,0]=4 4627 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,1,0,0,0,0|2,1,0]=4 4628 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,1,0,0,0,0|2,1,0]=4 4629 B9R0.45 CCOCCSCCC#N 62a_100000210147_100011215226 [0,1,0,0,0,0|2,0,1]=4 4630 B9R0.45 CCOCCSCCC#N 62a_100011215226_100011215890 [0,1,0,0,0,0|2,0,1]=4 4631 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,1,0,0,0,0|2,0,0]=3 4632 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,1,0,0,0,0|2,0,0]=3 4633 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,1,0,0,0,0|1,0,0]=2 4634 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,1,0,0,0,0|1,0,0]=2 4635 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,1,0,0,0,0|2,0,0]=3 4636 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,1,0,0,0,0|2,0,0]=3 4637 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,1,0,0,0,0|2,1,0]=4 4638 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,1,0,0,0,0|2,1,0]=4 4639 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [0,1,0,0,0,0|3,0,0]=4 4640 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [0,1,0,0,0,0|3,0,0]=4 4641 B9R0.45 CCOCSCC#CCO 62a_100000739092_200000047223 [0,1,0,0,0,0|1,0,2]=4 4642 B9R0.45 CCOCSCC#CCO 62a_200000047223_100000739092 [0,1,0,0,0,0|1,0,2]=4 4643 B9R0.45 CCOCSCCCC#N 62a_100000687738_100000739092 [0,1,0,0,0,0|2,0,1]=4 4644 B9R0.45 CCOCSCCCC#N 62a_100000739092_100000687738 [0,1,0,0,0,0|2,0,1]=4 4645 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,1,0,0,0,0|1,0,2]=4 4646 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,1,0,0,0,0|1,0,2]=4 4647 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,1,0,0,0,0|2,0,0]=3 4648 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,1,0,0,0,0|2,0,0]=3 4649 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,1,0,0,0,0|1,0,0]=2 4650 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,1,0,0,0,0|1,0,0]=2 4651 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,1,0,0,0,0|2,0,0]=3 4652 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,1,0,0,0,0|2,0,0]=3 4653 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [0,1,0,0,0,0|3,0,0]=4 4654 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [0,1,0,0,0,0|3,0,0]=4 4655 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,1,0,0,0,0|1,0,1]=3 4656 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,1,0,0,0,0|1,0,1]=3 4657 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,1,0,0,0,0|0,0,2]=3 4658 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,1,0,0,0,0|0,0,2]=3 4659 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,1,0,0,0,0|1,0,0]=2 4660 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,1,0,0,0,0|1,0,0]=2 4661 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,1,0,0,0,0|0,0,0]=1 4662 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,1,0,0,0,0|0,0,0]=1 4663 B9R0.45 CCSCCCOCC#N 7a_100011216438_100011215382 [0,1,0,0,0,0|2,0,1]=4 4664 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,1,0,0,0,0|1,0,2]=4 4665 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,1,0,0,0,0|1,0,2]=4 4666 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,1,0,0,0,0|2,0,0]=3 4667 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,1,0,0,0,0|2,0,0]=3 4668 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,1,0,0,0,0|1,0,0]=2 4669 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,1,0,0,0,0|1,0,0]=2 4670 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [0,1,0,0,0,0|2,1,0]=4 4671 B9R0.45 CCSCCNCCC#N 2230a_100000106463_100011215226 [0,1,0,0,0,0|2,0,1]=4 4672 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,1,0,0,0,0|2,0,0]=3 4673 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,1,0,0,0,0|2,0,0]=3 4674 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,1,0,0,0,0|2,0,0]=3 4675 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,1,0,0,0,0|1,0,0]=2 4676 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,1,0,0,0,0|2,0,0]=3 4677 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,1,0,0,0,0|2,0,0]=3 4678 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,1,0,0,0,0|2,1,0]=4 4679 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,1,0,0,0,0|2,1,0]=4 4680 B9R0.45 CCSCCOCCC#N 7a_100000212035_100000184422 [0,1,0,0,0,0|2,0,1]=4 4681 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,1,0,0,0,0|2,0,0]=3 4682 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,1,0,0,0,0|2,0,0]=3 4683 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,1,0,0,0,0|2,0,0]=3 4684 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,1,0,0,0,0|2,0,0]=3 4685 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,1,0,0,0,0|2,0,0]=3 4686 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,1,0,0,0,0|2,0,0]=3 4687 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,1,0,0,0,0|1,0,0]=2 4688 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,1,0,0,0,0|1,0,0]=2 4689 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,1,0,0,0,0|2,0,0]=3 4690 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,1,0,0,0,0|2,0,0]=3 4691 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,1,0,0,0,0|2,0,0]=3 4692 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,1,0,0,0,0|2,0,0]=3 4693 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,1,0,0,0,0|2,0,0]=3 4694 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,1,0,0,0,0|2,0,0]=3 4695 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,1,0,0,0,0|2,1,0]=4 4696 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,1,0,0,0,0|2,1,0]=4 4697 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,1,0,0,0,0|2,1,0]=4 4698 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,1,0,0,0,0|2,1,0]=4 4699 B9R0.45 CCSCCSCCC#N 62a_100000757381_100011215226 [0,1,0,0,0,0|2,0,1]=4 4700 B9R0.45 CCSCCSCCC#N 62a_100011215226_100000757381 [0,1,0,0,0,0|2,0,1]=4 4701 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,1,0,0,0,0|2,0,0]=3 4702 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,1,0,0,0,0|2,0,0]=3 4703 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,1,0,0,0,0|1,0,0]=2 4704 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,1,0,0,0,0|1,0,0]=2 4705 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,1,0,0,0,0|2,0,0]=3 4706 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,1,0,0,0,0|2,0,0]=3 4707 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,1,0,0,0,0|2,1,0]=4 4708 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,1,0,0,0,0|2,1,0]=4 4709 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [0,1,0,0,0,0|1,0,1]=3 4710 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [0,1,0,0,0,0|1,0,1]=3 4711 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,1,0,0,0,0|0,0,0]=1 4712 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,1,0,0,0,0|0,0,0]=1 4713 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,1,0,0,0,0|0,0,0]=1 4714 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,1,0,0,0,0|0,0,0]=1 4715 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,1,0,0,0,0|0,0,0]=1 4716 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,1,0,0,0,0|1,0,0]=2 4717 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,1,0,0,0,0|1,0,0]=2 4718 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,1,0,0,0,0|1,0,0]=2 4719 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,1,0,0,0,0|2,0,0]=3 4720 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,1,0,0,0,0|2,0,0]=3 4721 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,1,0,0,0,0|1,0,0]=2 4722 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,1,0,0,0,0|1,0,0]=2 4723 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,1,0,0,0,0|1,0,0]=2 4724 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,1,0,0,0,0|2,0,0]=3 4725 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,1,0,0,0,0|2,0,0]=3 4726 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,1,0,0,0,0|2,0,0]=3 4727 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,1,0,0,0,0|2,0,0]=3 4728 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,1,0,0,0,0|2,0,0]=3 4729 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,1,0,0,0,0|2,0,0]=3 4730 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,1,0,0,0,0|2,1,0]=4 4731 B9R0.45 CNCCOCCOCF 34a_100000228057_100015361967 [0,1,0,0,0,0|3,0,0]=4 4732 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,1,0,0,0,0|1,0,0]=2 4733 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,1,0,0,0,0|1,0,0]=2 4734 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,1,0,0,0,0|1,0,0]=2 4735 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,1,0,0,0,0|0,0,0]=1 4736 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,1,0,0,0,0|1,0,0]=2 4737 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,1,0,0,0,0|1,0,0]=2 4738 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,1,0,0,0,0|1,0,0]=2 4739 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,1,0,0,0,0|1,0,0]=2 4740 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,1,0,0,0,0|1,0,0]=2 4741 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,1,0,0,0,0|1,0,0]=2 4742 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,1,0,0,0,0|1,0,0]=2 4743 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,1,0,0,0,0|1,0,0]=2 4744 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,1,0,0,0,0|1,0,0]=2 4745 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,1,0,0,0,0|2,0,0]=3 4746 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,1,0,0,0,0|2,0,0]=3 4747 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,1,0,0,0,0|1,0,0]=2 4748 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,1,0,0,0,0|1,0,0]=2 4749 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,1,0,0,0,0|1,0,2]=4 4750 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,1,0,0,0,0|2,0,0]=3 4751 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,1,0,0,0,0|2,0,0]=3 4752 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,1,0,0,0,0|2,0,0]=3 4753 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,1,0,0,0,0|1,0,0]=2 4754 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,1,0,0,0,0|2,0,0]=3 4755 B9R0.45 COCCCCSCC#N 62a_100000730899_100011215382 [0,1,0,0,0,0|2,0,1]=4 4756 B9R0.45 COCCCCSCC#N 62a_100011215382_100000730899 [0,1,0,0,0,0|2,0,1]=4 4757 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,1,0,0,0,0|1,0,2]=4 4758 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,1,0,0,0,0|1,0,2]=4 4759 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,1,0,0,0,0|2,0,0]=3 4760 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,1,0,0,0,0|2,0,0]=3 4761 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,1,0,0,0,0|1,0,0]=2 4762 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,1,0,0,0,0|1,0,0]=2 4763 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,1,0,0,0,0|2,0,0]=3 4764 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,1,0,0,0,0|2,0,0]=3 4765 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,1,0,0,0,0|2,0,0]=3 4766 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,1,0,0,0,0|2,0,0]=3 4767 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,1,0,0,0,0|2,0,0]=3 4768 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,1,0,0,0,0|2,0,0]=3 4769 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,1,0,0,0,0|2,0,0]=3 4770 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,1,0,0,0,0|1,0,0]=2 4771 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,1,0,0,0,0|2,0,0]=3 4772 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,1,0,0,0,0|2,0,0]=3 4773 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,1,0,0,0,0|2,0,0]=3 4774 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,1,0,0,0,0|2,0,0]=3 4775 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,1,0,0,0,0|2,0,0]=3 4776 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,1,0,0,0,0|2,0,0]=3 4777 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,1,0,0,0,0|2,0,0]=3 4778 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,1,0,0,0,0|2,0,0]=3 4779 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,1,0,0,0,0|2,0,0]=3 4780 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,1,0,0,0,0|2,0,0]=3 4781 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,1,0,0,0,0|1,0,0]=2 4782 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,1,0,0,0,0|2,0,0]=3 4783 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,1,0,0,0,0|2,0,0]=3 4784 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,1,0,0,0,0|2,0,0]=3 4785 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,1,0,0,0,0|2,0,0]=3 4786 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,1,0,0,0,0|2,0,0]=3 4787 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,1,0,0,0,0|2,0,0]=3 4788 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,1,0,0,0,0|2,0,0]=3 4789 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,1,0,0,0,0|2,0,1]=4 4790 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,1,0,0,0,0|2,0,1]=4 4791 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,1,0,0,0,0|2,0,0]=3 4792 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,1,0,0,0,0|2,0,0]=3 4793 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,1,0,0,0,0|1,0,0]=2 4794 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,1,0,0,0,0|1,0,0]=2 4795 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,1,0,0,0,0|2,0,0]=3 4796 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,1,0,0,0,0|2,0,0]=3 4797 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,1,0,0,0,0|2,0,0]=3 4798 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,1,0,0,0,0|2,0,0]=3 4799 B9R0.45 COCCNCC#CCO 2230a_100000209980_200000047223 [0,1,0,0,0,0|1,0,2]=4 4800 B9R0.45 COCCNCCCC#N 2230a_100000209980_100000687738 [0,1,0,0,0,0|2,0,1]=4 4801 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,1,0,0,0,0|1,0,2]=4 4802 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,1,0,0,0,0|2,0,0]=3 4803 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,1,0,0,0,0|1,0,0]=2 4804 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,1,0,0,0,0|1,0,0]=2 4805 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,1,0,0,0,0|1,0,0]=2 4806 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,1,0,0,0,0|2,0,0]=3 4807 B9R0.45 COCCOCC#CCO 34a_100000210237_200000047223 [0,1,0,0,0,0|1,0,2]=4 4808 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,1,0,0,0,0|2,0,0]=3 4809 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,1,0,0,0,0|2,0,0]=3 4810 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,1,0,0,0,0|2,0,0]=3 4811 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,1,0,0,0,0|2,0,0]=3 4812 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,1,0,0,0,0|2,0,0]=3 4813 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,1,0,0,0,0|2,0,0]=3 4814 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,1,0,0,0,0|2,0,0]=3 4815 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,1,0,0,0,0|2,0,0]=3 4816 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,1,0,0,0,0|1,0,0]=2 4817 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,1,0,0,0,0|2,0,0]=3 4818 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,1,0,0,0,0|2,0,0]=3 4819 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,1,0,0,0,0|2,0,0]=3 4820 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,1,0,0,0,0|2,0,0]=3 4821 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,1,0,0,0,0|2,0,0]=3 4822 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,1,0,0,0,0|2,0,0]=3 4823 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,1,0,0,0,0|2,0,0]=3 4824 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,1,0,0,0,0|2,0,0]=3 4825 B9R0.45 COCCOCCNCF 34a_100000745349_100015361967 [0,1,0,0,0,0|3,0,0]=4 4826 B9R0.45 COCCOCCOCF 34a_100011215163_100015361967 [0,1,0,0,0,0|3,0,0]=4 4827 B9R0.45 COCCOCCOCF 7a_100011215163_100015361967 [0,1,0,0,0,0|3,0,0]=4 4828 B9R0.45 COCCOCCSCF 62a_100000695917_100015361967 [0,1,0,0,0,0|3,0,0]=4 4829 B9R0.45 COCCOCCSCF 62a_100015361967_100000695917 [0,1,0,0,0,0|3,0,0]=4 4830 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,1,0,0,0,0|2,0,0]=3 4831 B9R0.45 COCCOCSCCF 62a_100000231047_100011217306 [0,1,0,0,0,0|3,0,0]=4 4832 B9R0.45 COCCOCSCCF 62a_100011217306_100000231047 [0,1,0,0,0,0|3,0,0]=4 4833 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,1,0,0,0,0|2,0,0]=3 4834 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,1,0,0,0,0|2,0,0]=3 4835 B9R0.45 COCCOCSCOC 62a_100000231047_100000766300 [0,1,0,0,0,0|3,0,0]=4 4836 B9R0.45 COCCOCSCOC 62a_100000766300_100000231047 [0,1,0,0,0,0|3,0,0]=4 4837 B9R0.45 COCCOCSCSC 62a_100000231047_100011218213 [0,1,0,0,0,0|3,0,0]=4 4838 B9R0.45 COCCOCSCSC 62a_100011218213_100000231047 [0,1,0,0,0,0|3,0,0]=4 4839 B9R0.45 COCCSCC#CCO 62a_100000233755_200000047223 [0,1,0,0,0,0|1,0,2]=4 4840 B9R0.45 COCCSCC#CCO 62a_200000047223_100000233755 [0,1,0,0,0,0|1,0,2]=4 4841 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,1,0,0,0,0|2,0,1]=4 4842 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,1,0,0,0,0|2,0,1]=4 4843 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,1,0,0,0,0|1,0,2]=4 4844 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,1,0,0,0,0|1,0,2]=4 4845 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,1,0,0,0,0|2,0,0]=3 4846 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,1,0,0,0,0|2,0,0]=3 4847 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,1,0,0,0,0|1,0,0]=2 4848 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,1,0,0,0,0|1,0,0]=2 4849 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,1,0,0,0,0|1,0,0]=2 4850 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,1,0,0,0,0|2,0,0]=3 4851 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,1,0,0,0,0|2,0,0]=3 4852 B9R0.45 COCSCCCCC#N 62a_100000766300_100000211819 [0,1,0,0,0,0|2,0,1]=4 4853 B9R0.45 COCSCCCCC#N 62a_100011219923_100000766300 [0,1,0,0,0,0|2,0,1]=4 4854 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,1,0,0,0,0|1,0,2]=4 4855 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,1,0,0,0,0|1,0,2]=4 4856 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,1,0,0,0,0|2,0,0]=3 4857 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,1,0,0,0,0|2,0,0]=3 4858 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,1,0,0,0,0|1,0,0]=2 4859 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,1,0,0,0,0|1,0,0]=2 4860 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,1,0,0,0,0|2,0,0]=3 4861 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,1,0,0,0,0|2,0,0]=3 4862 B9R0.45 CSCCC=NNCCO 4a_100000210001_100000210997 [0,1,0,0,0,0|2,0,1]=4 4863 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,1,0,0,0,0|1,0,1]=3 4864 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,1,0,0,0,0|1,0,1]=3 4865 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,1,0,0,0,0|0,0,0]=1 4866 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,1,0,0,0,0|0,0,0]=1 4867 B9R0.45 CSCCCCOCC#N 7a_100011217163_100011215382 [0,1,0,0,0,0|2,0,1]=4 4868 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,1,0,0,0,0|1,0,2]=4 4869 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,1,0,0,0,0|1,0,2]=4 4870 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,1,0,0,0,0|2,0,0]=3 4871 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,1,0,0,0,0|2,0,0]=3 4872 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,1,0,0,0,0|1,0,0]=2 4873 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,1,0,0,0,0|1,0,0]=2 4874 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,1,0,0,0,0|2,1,0]=4 4875 B9R0.45 CSCCCNCCC#N 2230a_100000749238_100011215226 [0,1,0,0,0,0|2,0,1]=4 4876 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,1,0,0,0,0|2,0,0]=3 4877 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,1,0,0,0,0|1,0,0]=2 4878 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,1,0,0,0,0|2,1,0]=4 4879 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [0,1,0,0,0,0|2,0,1]=4 4880 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,1,0,0,0,0|2,0,0]=3 4881 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,1,0,0,0,0|2,0,0]=3 4882 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,1,0,0,0,0|1,0,0]=2 4883 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,1,0,0,0,0|1,0,0]=2 4884 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,1,0,0,0,0|2,1,0]=4 4885 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,1,0,0,0,0|2,1,0]=4 4886 B9R0.45 CSCCNCC#CCO 2230a_100020590264_200000047223 [0,1,0,0,0,0|1,0,2]=4 4887 B9R0.45 CSCCNCCCC#N 2230a_100020590264_100000687738 [0,1,0,0,0,0|2,0,1]=4 4888 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,1,0,0,0,0|1,0,2]=4 4889 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,1,0,0,0,0|2,0,0]=3 4890 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,1,0,0,0,0|1,0,0]=2 4891 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,1,0,0,0,0|1,0,0]=2 4892 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,1,0,0,0,0|1,0,0]=2 4893 B9R0.45 CSCCOCC#CCO 34a_100000230434_200000047223 [0,1,0,0,0,0|1,0,2]=4 4894 B9R0.45 CSCCOCC#CCO 7a_100000230434_200000047223 [0,1,0,0,0,0|1,0,2]=4 4895 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [0,1,0,0,0,0|2,0,1]=4 4896 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,1,0,0,0,0|1,0,2]=4 4897 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,1,0,0,0,0|2,0,0]=3 4898 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,1,0,0,0,0|2,0,0]=3 4899 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,1,0,0,0,0|2,0,0]=3 4900 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,1,0,0,0,0|2,0,0]=3 4901 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,1,0,0,0,0|2,0,0]=3 4902 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,1,0,0,0,0|2,0,0]=3 4903 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,1,0,0,0,0|2,0,0]=3 4904 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,1,0,0,0,0|2,0,0]=3 4905 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,1,0,0,0,0|2,0,0]=3 4906 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,1,0,0,0,0|1,0,0]=2 4907 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,1,0,0,0,0|1,0,0]=2 4908 B9R0.45 CSCCSCC#CCO 62a_100000212216_200000047223 [0,1,0,0,0,0|1,0,2]=4 4909 B9R0.45 CSCCSCC#CCO 62a_200000047223_100000751147 [0,1,0,0,0,0|1,0,2]=4 4910 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [0,1,0,0,0,0|2,0,1]=4 4911 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [0,1,0,0,0,0|2,0,1]=4 4912 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,1,0,0,0,0|1,0,2]=4 4913 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,1,0,0,0,0|1,0,2]=4 4914 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,1,0,0,0,0|2,0,0]=3 4915 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,1,0,0,0,0|2,0,0]=3 4916 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,1,0,0,0,0|1,0,0]=2 4917 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,1,0,0,0,0|1,0,0]=2 4918 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,1,0,0,0,0|1,0,0]=2 4919 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,1,0,0,0,0|1,0,0]=2 4920 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [0,1,0,0,0,0|2,0,0]=3 4921 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [0,1,0,0,0,0|2,0,0]=3 4922 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,1,0,0,0,0|2,0,0]=3 4923 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,1,0,0,0,0|2,0,0]=3 4924 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,1,0,0,0,0|2,0,0]=3 4925 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,1,0,0,0,0|2,0,0]=3 4926 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,1,0,0,0,0|2,0,0]=3 4927 B9R0.45 CSCOCCOCCBr 34a_100000692535_100011218213 [0,1,0,0,0,0|3,0,0]=4 4928 B9R0.45 CSCOCCOCCCl 34a_100011215305_100011218213 [0,1,0,0,0,0|3,0,0]=4 4929 B9R0.45 CSCOCCOCCF 34a_200015357709_100011218213 [0,1,0,0,0,0|3,0,0]=4 4930 B9R0.45 CSCOCCOCCI 34a_100012149058_100011218213 [0,1,0,0,0,0|3,0,0]=4 4931 B9R0.45 CSCOCCOCCN 34a_100000211614_100011218213 [0,1,0,0,0,0|3,0,0]=4 4932 B9R0.45 CSCSCCCCC#N 62a_100011218213_100000211819 [0,1,0,0,0,0|2,0,1]=4 4933 B9R0.45 CSCSCCCCC#N 62a_100011219923_100011218213 [0,1,0,0,0,0|2,0,1]=4 4934 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,1,0,0,0,0|1,0,2]=4 4935 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,1,0,0,0,0|1,0,2]=4 4936 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,1,0,0,0,0|2,0,0]=3 4937 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,1,0,0,0,0|2,0,0]=3 4938 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,1,0,0,0,0|1,0,0]=2 4939 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,1,0,0,0,0|1,0,0]=2 4940 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,1,0,0,0,0|2,0,0]=3 4941 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,1,0,0,0,0|2,0,0]=3 4942 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,1,0,0,0,0|2,0,0]=3 4943 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,1,0,0,0,0|2,0,0]=3 4944 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,1,0,0,0,0|2,0,0]=3 4945 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,1,0,0,0,0|2,0,0]=3 4946 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,1,0,0,0,0|2,0,0]=3 4947 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,1,0,0,0,0|2,0,0]=3 4948 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,1,0,0,0,0|2,0,0]=3 4949 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,1,0,0,0,0|2,0,0]=3 4950 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [0,1,0,0,0,0|2,0,0]=3 4951 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [0,1,0,0,0,0|2,0,0]=3 4952 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,1,0,0,0,0|2,0,0]=3 4953 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,1,0,0,0,0|2,0,0]=3 4954 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,1,0,0,0,0|2,0,0]=3 4955 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,1,0,0,0,0|2,0,0]=3 4956 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,1,0,0,0,0|2,0,0]=3 4957 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [0,1,0,0,0,0|2,0,0]=3 4958 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [0,1,0,0,0,0|2,0,0]=3 4959 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,1,0,0,0,0|2,0,0]=3 4960 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,1,0,0,0,0|2,0,0]=3 4961 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,1,0,0,0,0|2,0,0]=3 4962 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,1,0,0,0,0|2,0,0]=3 4963 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,1,0,0,0,0|2,0,0]=3 4964 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,1,0,0,0,0|2,0,0]=3 4965 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,1,0,0,0,0|2,0,0]=3 4966 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,1,0,0,0,0|2,0,0]=3 4967 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,1,0,0,0,0|2,0,0]=3 4968 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,1,0,0,0,0|2,0,0]=3 4969 B9R0.45 FCCOCCOCCBr 34a_100000692535_100011217306 [0,1,0,0,0,0|3,0,0]=4 4970 B9R0.45 FCCOCCOCCBr 7a_100000692535_100011217306 [0,1,0,0,0,0|3,0,0]=4 4971 B9R0.45 FCCOCCOCCCl 34a_100011215305_100011217306 [0,1,0,0,0,0|3,0,0]=4 4972 B9R0.45 FCCOCCOCCCl 7a_100011215305_100011217306 [0,1,0,0,0,0|3,0,0]=4 4973 B9R0.45 FCCOCCOCCF 34a_200015357709_100011217306 [0,1,0,0,0,0|3,0,0]=4 4974 B9R0.45 FCCOCCOCCF 7a_200015357709_100011217306 [0,1,0,0,0,0|3,0,0]=4 4975 B9R0.45 FCCOCCOCCI 34a_100012149058_100011217306 [0,1,0,0,0,0|3,0,0]=4 4976 B9R0.45 FCCOCCOCCI 7a_100012149058_100011217306 [0,1,0,0,0,0|3,0,0]=4 4977 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,1,0,0,0,0|2,0,0]=3 4978 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,1,0,0,0,0|2,0,0]=3 4979 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,1,0,0,0,0|2,0,0]=3 4980 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,1,0,0,0,0|2,0,0]=3 4981 B9R0.45 N#CCCCCCSCF 62a_100009813376_100015361967 [0,1,0,0,0,0|2,0,1]=4 4982 B9R0.45 N#CCCCCCSCF 62a_100015361967_100009813376 [0,1,0,0,0,0|2,0,1]=4 4983 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [0,1,0,0,0,0|1,0,1]=3 4984 B9R0.45 N#CCCCCSCCF 62a_100011217306_100000211819 [0,1,0,0,0,0|2,0,1]=4 4985 B9R0.45 N#CCCCCSCCF 62a_100011219923_100011217306 [0,1,0,0,0,0|2,0,1]=4 4986 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,1,0,0,0,0|1,0,1]=3 4987 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,1,0,0,0,0|1,0,1]=3 4988 B9R0.45 N#CCCCNCCCF 2230a_100015189416_100000687738 [0,1,0,0,0,0|2,0,1]=4 4989 B9R0.45 N#CCCCSCCCF 62a_100000687738_100011934791 [0,1,0,0,0,0|2,0,1]=4 4990 B9R0.45 N#CCCCSCCCF 62a_100011934791_100000687738 [0,1,0,0,0,0|2,0,1]=4 4991 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,1,0,0,0,0|1,0,1]=3 4992 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,1,0,0,0,0|1,0,1]=3 4993 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [0,1,0,0,0,0|1,0,1]=3 4994 B9R0.45 N#CCCOCCCCCl 7a_100000210776_100000184422 [0,1,0,0,0,0|2,0,1]=4 4995 B9R0.45 N#CCCOCCCCF 7a_100011995726_100000184422 [0,1,0,0,0,0|2,0,1]=4 4996 B9R0.45 N#CCCSCCCCF 62a_100000729493_100011215226 [0,1,0,0,0,0|2,0,1]=4 4997 B9R0.45 N#CCCSCCCCF 62a_100011215226_100000729493 [0,1,0,0,0,0|2,0,1]=4 4998 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,1,0,0,0,0|1,0,1]=3 4999 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,1,0,0,0,0|1,0,1]=3 5000 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [0,1,0,0,0,0|1,0,1]=3 5001 B9R0.45 N#CCNCCOCCO 2230a_100000211614_100011215382 [0,1,0,0,0,0|2,0,1]=4 5002 B9R0.45 N#CCNCCSCCO 2230a_100011219999_100011215382 [0,1,0,0,0,0|2,0,1]=4 5003 B9R0.45 N#CCOCCCCCBr 7a_100000746331_100011215382 [0,1,0,0,0,0|2,0,1]=4 5004 B9R0.45 N#CCOCCCCCCl 7a_100000746330_100011215382 [0,1,0,0,0,0|2,0,1]=4 5005 B9R0.45 N#CCOCCCCCI 7a_200012148887_100011215382 [0,1,0,0,0,0|2,0,1]=4 5006 B9R0.45 N#CCOCCNCCO 2230a_100016997473_200000047693 [0,1,0,0,0,0|2,0,1]=4 5007 B9R0.45 N#CCOCCSCCO 62a_100000211926_200000047693 [0,1,0,0,0,0|2,0,1]=4 5008 B9R0.45 N#CCOCCSCCO 62a_200000047693_100000211926 [0,1,0,0,0,0|2,0,1]=4 5009 B9R0.45 N#CCSCCCCCF 62a_100000729378_100011215382 [0,1,0,0,0,0|2,0,1]=4 5010 B9R0.45 N#CCSCCCCCF 62a_100011215382_100000729378 [0,1,0,0,0,0|2,0,1]=4 5011 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [0,1,0,0,0,0|1,0,1]=3 5012 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [0,1,0,0,0,0|1,0,1]=3 5013 B9R0.45 N#CCSCCOCCO 62a_100011215305_100011215382 [0,1,0,0,0,0|2,0,1]=4 5014 B9R0.45 N#CCSCCOCCO 62a_100011215382_100011215305 [0,1,0,0,0,0|2,0,1]=4 5015 B9R0.45 N#CSCCSCCCO 62a_100000034367_100011215043 [0,1,0,0,0,0|2,0,1]=4 5016 B9R0.45 N#CSCCSCCCO 62a_100011215043_100000034367 [0,1,0,0,0,0|2,0,1]=4 5017 B9R0.45 N#CSCSCCCCO 62a_100000210776_100000211825 [0,1,0,0,0,0|2,0,1]=4 5018 B9R0.45 N#CSCSCCCCO 62a_100000211825_100000210776 [0,1,0,0,0,0|2,0,1]=4 5019 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,1,0,0,0,0|2,0,0]=3 5020 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,1,0,0,0,0|1,0,2]=4 5021 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,1,0,0,0,0|2,0,0]=3 5022 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,1,0,0,0,0|1,0,0]=2 5023 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,1,0,0,0,0|2,0,0]=3 5024 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,1,0,0,0,0|1,0,0]=2 5025 B9R0.45 NCCCOCC#CCO 34a_100000182051_200000047223 [0,1,0,0,0,0|1,0,2]=4 5026 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,1,0,0,0,0|2,0,0]=3 5027 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,1,0,0,0,0|1,0,0]=2 5028 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,1,0,0,0,0|2,0,0]=3 5029 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,1,0,0,0,0|1,0,0]=2 5030 B9R0.45 NCCOCCOCCF 34a_100000211614_100011217306 [0,1,0,0,0,0|3,0,0]=4 5031 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [0,1,0,0,0,0|2,0,0]=3 5032 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [0,1,0,0,0,0|2,0,0]=3 5033 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [0,1,0,0,0,0|2,0,0]=3 5034 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,1,0,0,0,0|2,0,0]=3 5035 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,1,0,0,0,0|1,0,2]=4 5036 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,1,0,0,0,0|1,0,2]=4 5037 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,1,0,0,0,0|1,0,1]=3 5038 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,1,0,0,0,0|1,0,2]=4 5039 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,1,0,0,0,0|1,0,2]=4 5040 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,1,0,0,0,0|1,0,1]=3 5041 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,1,0,0,0,0|1,0,1]=3 5042 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,1,0,0,0,0|1,0,2]=4 5043 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,1,0,0,0,0|1,0,2]=4 5044 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,1,0,0,0,0|1,0,2]=4 5045 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,1,0,0,0,0|1,0,1]=3 5046 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,1,0,0,0,0|1,0,1]=3 5047 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,1,0,0,0,0|1,0,1]=3 5048 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,1,0,0,0,0|1,0,1]=3 5049 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,1,0,0,0,0|2,0,1]=4 5050 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,1,0,0,0,0|2,0,1]=4 5051 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,1,0,0,0,0|2,0,1]=4 5052 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,1,0,0,0,0|1,0,2]=4 5053 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,1,0,0,0,0|1,0,2]=4 5054 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,1,0,0,0,0|1,0,2]=4 5055 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,1,0,0,0,0|1,0,2]=4 5056 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,1,0,0,0,0|1,0,2]=4 5057 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,1,0,0,0,0|1,0,2]=4 5058 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,1,0,0,0,0|1,0,2]=4 5059 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,1,0,0,0,0|1,0,2]=4 5060 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,1,0,0,0,0|1,0,1]=3 5061 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,1,0,0,0,0|1,0,1]=3 5062 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,1,0,0,0,0|2,0,1]=4 5063 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,1,0,0,0,0|2,0,1]=4 5064 B9R0.45 OCC#CCNCCCF 2230a_100015189416_200000047223 [0,1,0,0,0,0|1,0,2]=4 5065 B9R0.45 OCC#CCNCCCF 34a_100015189416_200000047223 [0,1,0,0,0,0|1,0,2]=4 5066 B9R0.45 OCC#CCOCCCBr 34a_100011217188_200000047223 [0,1,0,0,0,0|1,0,2]=4 5067 B9R0.45 OCC#CCOCCCCl 34a_100000230001_200000047223 [0,1,0,0,0,0|1,0,2]=4 5068 B9R0.45 OCC#CCOCCCF 34a_100000759539_200000047223 [0,1,0,0,0,0|1,0,2]=4 5069 B9R0.45 OCC#CCSCCCF 62a_100011934791_200000047223 [0,1,0,0,0,0|1,0,2]=4 5070 B9R0.45 OCC#CCSCCCF 62a_200000047223_100011934791 [0,1,0,0,0,0|1,0,2]=4 5071 B9R0.45 OCC#CCSCCCO 62a_100011215043_200000047223 [0,1,0,0,0,0|1,0,2]=4 5072 B9R0.45 OCC#CCSCCCO 62a_200000047223_100011215043 [0,1,0,0,0,0|1,0,2]=4 5073 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,1,0,0,0,0|1,0,0]=2 5074 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,1,0,0,0,0|1,0,0]=2 5075 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,1,0,0,0,0|1,0,0]=2 5076 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,1,0,0,0,0|1,0,0]=2 5077 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,1,0,0,0,0|1,0,0]=2 5078 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,1,0,0,0,0|1,0,0]=2 5079 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,1,0,0,0,0|1,0,0]=2 5080 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,1,0,0,0,0|1,0,0]=2 5081 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,1,0,0,0,0|1,0,0]=2 5082 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,1,0,0,0,0|1,0,0]=2 5083 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,1,0,0,0,0|1,0,0]=2 5084 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,1,0,0,0,0|1,0,0]=2 5085 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,1,0,0,0,0|1,0,0]=2 5086 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,1,0,0,0,0|1,0,0]=2 5087 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,1,0,0,0,0|1,0,0]=2 5088 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,1,0,0,0,0|1,0,0]=2 5089 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,1,0,0,0,0|1,0,0]=2 5090 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,1,0,0,0,0|1,0,0]=2 5091 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,1,0,0,0,0|1,0,0]=2 5092 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,1,0,0,0,0|1,0,0]=2 5093 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,1,0,0,0,0|1,0,0]=2 5094 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,1,0,0,0,0|1,0,0]=2 5095 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,1,0,0,0,0|1,0,0]=2 5096 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,1,0,0,0,0|1,0,0]=2 5097 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,1,0,0,0,0|1,0,0]=2 5098 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,1,0,0,0,0|1,0,0]=2 5099 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,1,0,0,0,0|1,0,0]=2 5100 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,1,0,0,0,0|1,0,0]=2 5101 B9R0.45 OCCCOCC#CCCl 34a_200000047223_100000230001 [0,1,0,0,0,0|1,0,2]=4 5102 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,1,0,0,0,0|1,0,0]=2 5103 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,1,0,0,0,0|1,0,0]=2 5104 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,1,0,0,0,0|1,0,0]=2 5105 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,1,0,0,0,0|1,0,0]=2 5106 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,1,0,0,0,0|1,0,0]=2 5107 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,1,0,0,0,0|1,0,0]=2 5108 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,1,0,0,0,0|1,0,0]=2 5109 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,1,0,0,0,0|1,0,0]=2 5110 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,1,0,0,0,0|1,0,0]=2 5111 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,1,0,0,0,0|1,0,0]=2 5112 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,1,0,0,0,0|2,0,0]=3 5113 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,1,0,0,0,0|2,0,0]=3 5114 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,1,0,0,0,0|2,0,0]=3 5115 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,1,0,0,0,0|2,0,0]=3 5116 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,1,0,0,0,0|2,0,0]=3 5117 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,1,0,0,0,0|1,0,0]=2 5118 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,1,0,0,0,0|1,0,0]=2 5119 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,1,0,0,0,0|1,0,0]=2 5120 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,1,0,0,0,0|1,0,0]=2 5121 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,1,0,0,0,0|1,0,0]=2 5122 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,1,0,0,0,0|1,0,0]=2 5123 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [0,1,0,0,0,0|2,0,0]=3 5124 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [0,1,0,0,0,0|2,0,0]=3 5125 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [0,1,0,0,0,0|2,0,0]=3 5126 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [0,1,0,0,0,0|2,0,0]=3 5127 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [0,1,0,0,0,0|2,0,0]=3 5128 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [0,1,0,0,0,0|2,0,0]=3 5129 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [0,1,0,0,0,0|2,0,0]=3 5130 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [0,1,0,0,0,0|2,0,0]=3 5131 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [0,1,0,0,0,0|2,0,0]=3 5132 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [0,1,0,0,0,0|2,0,0]=3 5133 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [0,1,0,0,0,0|2,0,0]=3 5134 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [0,1,0,0,0,0|2,0,0]=3 5135 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,1,0,0,0,0|2,0,0]=3 5136 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,1,0,0,0,0|2,0,0]=3 5137 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,1,0,0,0,0|2,0,0]=3 5138 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,1,0,0,0,0|2,0,0]=3 5139 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,1,0,0,0,0|1,0,0]=2 5140 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,1,0,0,0,0|1,0,0]=2 5141 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,1,0,0,0,0|2,0,0]=3 5142 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,1,0,0,0,0|0,0,0]=1 5143 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,1,0,0,0,0|0,0,0]=1 5144 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,1,0,0,0,0|1,0,0]=2 5145 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,1,0,0,0,0|1,0,0]=2 5146 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,1,0,0,0,0|1,0,0]=2 5147 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,1,0,0,0,0|1,0,0]=2 5148 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,1,0,0,0,0|1,0,0]=2 5149 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,1,0,0,0,0|2,0,0]=3 5150 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,1,0,0,0,0|1,0,1]=3 5151 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,1,0,0,0,0|1,0,1]=3 5152 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,1,0,0,0,0|0,0,0]=1 5153 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,1,0,0,0,0|0,0,0]=1 5154 B9R0.45 [N-]=[N+]=NCCCNCCO 2230a_100000744732_100000211926 [0,1,0,0,0,0|3,0,0]=4 5155 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|1,0,2]=4 5156 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|0,0,3]=4 5157 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,1,0,0,0,0|2,0,1]=4 5158 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,1,0,0,0,0|2,0,1]=4 5159 B9R0.46 C#CC(C)NCCCCO 2230a_100000707721_100000210776 [0,1,0,0,0,0|1,0,2]=4 5160 B9R0.46 C#CC(C)NCCCCO 34a_100000707721_100011216708 [0,1,0,0,0,0|1,0,2]=4 5161 B9R0.46 C#CC(C)NCCCCO 34a_100000750430_200000035995 [0,1,0,0,0,0|1,0,2]=4 5162 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,1,0,0,0,0|2,0,1]=4 5163 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,1,0,0,0,0|2,0,1]=4 5164 B9R0.46 C#CC(C)SCCCCO 62a_200000035995_100000210776 [0,1,0,0,0,0|1,0,2]=4 5165 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|1,0,2]=4 5166 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|1,0,2]=4 5167 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|0,0,3]=4 5168 B9R0.46 C#CCCCCN(C)CC 2230a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 5169 B9R0.46 C#CCCCCN(C)CC 269982a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 5170 B9R0.46 C#CCCCNC(C)CC 2230a_100000209981_100000731252 [0,1,0,0,0,0|2,0,1]=4 5171 B9R0.46 C#CCCCNC(C)CC 34a_100000718082_100011215416 [0,1,0,0,0,0|2,0,1]=4 5172 B9R0.46 C#CCCCNC(C)CO 34a_100000718082_100012180447 [0,1,0,0,0,0|1,0,2]=4 5173 B9R0.46 C#CCCCN[C@H](C)CO 2230a_100000737577_100000731252 [0,1,0,0,0,0|1,0,2]=4 5174 B9R0.46 C#CCCCOC(C)CC 34a_100000215630_100011215416 [0,1,0,0,0,0|2,0,1]=4 5175 B9R0.46 C#CCCCOC(C)CC 7a_100000210228_100011215417 [0,1,0,0,0,0|2,0,1]=4 5176 B9R0.46 C#CCCCOC(C)CC 7a_100000215630_100000758301 [0,1,0,0,0,0|2,0,1]=4 5177 B9R0.46 C#CCCCOC(C)CO 34a_100000215630_100012180447 [0,1,0,0,0,0|1,0,2]=4 5178 B9R0.46 C#CCCCOC(C)CO 7a_100000215630_100012180447 [0,1,0,0,0,0|1,0,2]=4 5179 B9R0.46 C#CCCCSC(C)CC 62a_100000758301_100011215417 [0,1,0,0,0,0|2,0,1]=4 5180 B9R0.46 C#CCCCSC(C)CC 62a_100011215417_100000758301 [0,1,0,0,0,0|2,0,1]=4 5181 B9R0.46 C#CCCCSC(C)CO 62a_100012180447_100011215417 [0,1,0,0,0,0|1,0,2]=4 5182 B9R0.46 C#CCCCS[C@H](C)CO 62a_100011215417_100016084084 [0,1,0,0,0,0|1,0,2]=4 5183 B9R0.46 C#CCCCS[C@H](C)CO 62a_100016084084_100011215417 [0,1,0,0,0,0|1,0,2]=4 5184 B9R0.46 C#CCCNCC(C)CC 2230a_100020588543_100000688953 [0,1,0,0,0,0|2,0,1]=4 5185 B9R0.46 C#CCCNCC(C)CC 34a_100000755551_100000748023 [0,1,0,0,0,0|2,0,1]=4 5186 B9R0.46 C#CCCNCC(C)CO 34a_100000744482_100000688953 [0,1,0,0,0,0|1,0,2]=4 5187 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,1,0,0,0,0|2,0,1]=4 5188 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,1,0,0,0,0|2,0,1]=4 5189 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,1,0,0,0,0|1,0,2]=4 5190 B9R0.46 C#CCCNC[C@@H](C)CC 34a_100000755551_100009816398 [0,1,0,0,0,0|2,0,1]=4 5191 B9R0.46 C#CCCNC[C@@H](C)CO 34a_100000755551_100000059175 [0,1,0,0,0,0|1,0,2]=4 5192 B9R0.46 C#CCCNC[C@@H](F)CO 34a_100015665980_100000688953 [0,1,0,0,0,0|1,0,2]=4 5193 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,1,0,0,0,0|1,0,2]=4 5194 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,1,0,0,0,0|1,0,2]=4 5195 B9R0.46 C#CCCOCC(C)CC 34a_100011215631_100000748023 [0,1,0,0,0,0|2,0,1]=4 5196 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,1,0,0,0,0|2,0,1]=4 5197 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,1,0,0,0,0|1,0,2]=4 5198 B9R0.46 C#CCCOC[C@@H](C)CC 34a_100011215631_100009816398 [0,1,0,0,0,0|2,0,1]=4 5199 B9R0.46 C#CCCOC[C@@H](C)CC 7a_100009816381_100000688953 [0,1,0,0,0,0|2,0,1]=4 5200 B9R0.46 C#CCCOC[C@@H](C)CO 34a_100011215631_100000059175 [0,1,0,0,0,0|1,0,2]=4 5201 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,1,0,0,0,0|1,0,2]=4 5202 B9R0.46 C#CCCSCC(C)CC 62a_100000688953_100000748023 [0,1,0,0,0,0|2,0,1]=4 5203 B9R0.46 C#CCCSCC(C)CC 62a_100000748023_100000688953 [0,1,0,0,0,0|2,0,1]=4 5204 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [0,1,0,0,0,0|2,0,1]=4 5205 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [0,1,0,0,0,0|2,0,1]=4 5206 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,1,0,0,0,0|1,0,2]=4 5207 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,1,0,0,0,0|1,0,2]=4 5208 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100000688953_100009816398 [0,1,0,0,0,0|2,0,1]=4 5209 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100009816398_100000688953 [0,1,0,0,0,0|2,0,1]=4 5210 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000059175_100000688953 [0,1,0,0,0,0|1,0,2]=4 5211 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000688953_100000059175 [0,1,0,0,0,0|1,0,2]=4 5212 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,1,0,0,0,0|1,0,2]=4 5213 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,1,0,0,0,0|1,0,2]=4 5214 B9R0.46 C#CCNCCC(C)CC 2230a_100020591266_100000038162 [0,1,0,0,0,0|2,0,1]=4 5215 B9R0.46 C#CCNCCC(C)CO 2230a_106354213184_100000038162 [0,1,0,0,0,0|1,0,2]=4 5216 B9R0.46 C#CCNCCC(C)CO 34a_106354213184_100000184674 [0,1,0,0,0,0|1,0,2]=4 5217 B9R0.46 C#CCOCCC(C)CC 7a_100011215188_100000038162 [0,1,0,0,0,0|2,0,1]=4 5218 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,1,0,0,0,0|2,0,1]=4 5219 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,1,0,0,0,0|2,0,1]=4 5220 B9R0.46 C#C[C@@H](C)OCCCCO 34a_100009815206_100011216708 [0,1,0,0,0,0|1,0,2]=4 5221 B9R0.46 C#C[C@@H](C)OCCCCO 7a_100009815206_100000210776 [0,1,0,0,0,0|1,0,2]=4 5222 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [0,1,0,0,0,0|1,0,2]=4 5223 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [0,1,0,0,0,0|1,0,2]=4 5224 B9R0.46 C/C=C/CNC[C@@H](F)CO 34a_100015665980_100102629194 [0,1,0,0,0,0|1,0,2]=4 5225 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [0,1,0,0,0,0|1,0,2]=4 5226 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [0,1,0,0,0,0|1,0,2]=4 5227 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [0,1,0,0,0,0|1,0,2]=4 5228 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [0,1,0,0,0,0|1,0,2]=4 5229 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [0,1,0,0,0,0|1,0,2]=4 5230 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [0,1,0,0,0,0|1,0,2]=4 5231 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [0,1,0,0,0,0|1,0,2]=4 5232 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [0,1,0,0,0,0|1,0,2]=4 5233 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [0,1,0,0,0,0|1,0,2]=4 5234 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|1,0,2]=4 5235 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|0,0,3]=4 5236 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|2,0,1]=4 5237 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|2,0,1]=4 5238 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [0,1,0,0,0,0|1,0,2]=4 5239 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [0,1,0,0,0,0|1,0,2]=4 5240 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|2,0,1]=4 5241 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [0,1,0,0,0,0|1,0,2]=4 5242 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|2,0,1]=4 5243 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [0,1,0,0,0,0|1,0,2]=4 5244 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|2,0,1]=4 5245 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|2,0,1]=4 5246 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|2,0,1]=4 5247 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|2,0,1]=4 5248 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|2,0,1]=4 5249 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|2,0,1]=4 5250 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,1,0,0,0,0|1,0,2]=4 5251 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,1,0,0,0,0|1,0,2]=4 5252 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|1,0,2]=4 5253 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|1,0,2]=4 5254 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|0,0,3]=4 5255 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,1,0,0,0,0|2,0,1]=4 5256 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,1,0,0,0,0|2,0,1]=4 5257 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,1,0,0,0,0|2,0,1]=4 5258 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,1,0,0,0,0|2,0,1]=4 5259 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [0,1,0,0,0,0|2,0,1]=4 5260 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [0,1,0,0,0,0|2,0,1]=4 5261 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [0,1,0,0,0,0|2,0,1]=4 5262 B9R0.46 C=CCCCNC(C)CO 2230a_100000700776_100012180447 [0,1,0,0,0,0|1,0,2]=4 5263 B9R0.46 C=CCCCNC(C)CO 34a_100000700776_100012180447 [0,1,0,0,0,0|1,0,2]=4 5264 B9R0.46 C=CCCCN[C@H](C)CO 2230a_100000737577_100011713584 [0,1,0,0,0,0|1,0,2]=4 5265 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [0,1,0,0,0,0|2,0,1]=4 5266 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [0,1,0,0,0,0|2,0,1]=4 5267 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [0,1,0,0,0,0|2,0,1]=4 5268 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [0,1,0,0,0,0|1,0,2]=4 5269 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [0,1,0,0,0,0|1,0,2]=4 5270 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,1,0,0,0,0|2,0,1]=4 5271 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,1,0,0,0,0|2,0,1]=4 5272 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,1,0,0,0,0|1,0,2]=4 5273 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,1,0,0,0,0|1,0,2]=4 5274 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,1,0,0,0,0|1,0,2]=4 5275 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [0,1,0,0,0,0|2,0,1]=4 5276 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [0,1,0,0,0,0|2,0,1]=4 5277 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [0,1,0,0,0,0|2,0,1]=4 5278 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,1,0,0,0,0|1,0,2]=4 5279 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,1,0,0,0,0|2,0,1]=4 5280 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,1,0,0,0,0|2,0,1]=4 5281 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,1,0,0,0,0|1,0,2]=4 5282 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [0,1,0,0,0,0|2,0,1]=4 5283 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,1,0,0,0,0|1,0,2]=4 5284 B9R0.46 C=CCCNC[C@@H](F)CO 34a_100015665980_100000754431 [0,1,0,0,0,0|1,0,2]=4 5285 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,1,0,0,0,0|1,0,2]=4 5286 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,1,0,0,0,0|1,0,2]=4 5287 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [0,1,0,0,0,0|2,0,1]=4 5288 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,1,0,0,0,0|2,0,1]=4 5289 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,1,0,0,0,0|1,0,2]=4 5290 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [0,1,0,0,0,0|2,0,1]=4 5291 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [0,1,0,0,0,0|2,0,1]=4 5292 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,1,0,0,0,0|1,0,2]=4 5293 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,1,0,0,0,0|1,0,2]=4 5294 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,1,0,0,0,0|2,0,1]=4 5295 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,1,0,0,0,0|2,0,1]=4 5296 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,1,0,0,0,0|2,0,1]=4 5297 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,1,0,0,0,0|2,0,1]=4 5298 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,1,0,0,0,0|1,0,2]=4 5299 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,1,0,0,0,0|1,0,2]=4 5300 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,1,0,0,0,0|2,0,1]=4 5301 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,1,0,0,0,0|2,0,1]=4 5302 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,1,0,0,0,0|1,0,2]=4 5303 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,1,0,0,0,0|1,0,2]=4 5304 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,1,0,0,0,0|1,0,2]=4 5305 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,1,0,0,0,0|1,0,2]=4 5306 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [0,1,0,0,0,0|2,0,1]=4 5307 B9R0.46 C=CCNCCC(C)CO 2230a_106354213184_100000210623 [0,1,0,0,0,0|1,0,2]=4 5308 B9R0.46 C=CCNCCC(C)CO 34a_106354213184_100015514636 [0,1,0,0,0,0|1,0,2]=4 5309 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,1,0,0,0,0|2,0,1]=4 5310 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|2,0,1]=4 5311 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [0,1,0,0,0,0|1,0,2]=4 5312 B9R0.46 CC#CCCOC(C)CO 34a_100000750427_100012180447 [0,1,0,0,0,0|1,0,2]=4 5313 B9R0.46 CC#CCNCC(C)CO 34a_100000744482_100000748600 [0,1,0,0,0,0|1,0,2]=4 5314 B9R0.46 CC#CCNCC(O)CO 2230a_100000685387_100011219619 [0,1,0,0,0,0|1,0,2]=4 5315 B9R0.46 CC#CCNCC(O)CO 34a_100000685387_100011219619 [0,1,0,0,0,0|1,0,2]=4 5316 B9R0.46 CC#CCNC[C@@H](C)CO 2230a_100000685387_100000059175 [0,1,0,0,0,0|1,0,2]=4 5317 B9R0.46 CC#CCNC[C@@H](C)CO 34a_100000685387_100000059175 [0,1,0,0,0,0|1,0,2]=4 5318 B9R0.46 CC#CCNC[C@@H](F)CO 34a_100015665980_100000748600 [0,1,0,0,0,0|1,0,2]=4 5319 B9R0.46 CC#CCNC[C@@H](O)CO 2230a_100000685387_100009815848 [0,1,0,0,0,0|1,0,2]=4 5320 B9R0.46 CC#CCNC[C@@H](O)CO 34a_100000685387_100009815848 [0,1,0,0,0,0|1,0,2]=4 5321 B9R0.46 CC#CCNC[C@H](O)CO 2230a_100020644852_100000748600 [0,1,0,0,0,0|1,0,2]=4 5322 B9R0.46 CC#CCOCC(O)CO 34a_100000761923_100011219619 [0,1,0,0,0,0|1,0,2]=4 5323 B9R0.46 CC#CCOC[C@@H](C)CO 34a_100000761923_100000059175 [0,1,0,0,0,0|1,0,2]=4 5324 B9R0.46 CC#CCOC[C@@H](O)CO 34a_100000761923_100009815848 [0,1,0,0,0,0|1,0,2]=4 5325 B9R0.46 CC#CCSCC(O)CO 62a_100000748600_100011219619 [0,1,0,0,0,0|1,0,2]=4 5326 B9R0.46 CC#CCSCC(O)CO 62a_100011219619_100000748600 [0,1,0,0,0,0|1,0,2]=4 5327 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000059175_100000748600 [0,1,0,0,0,0|1,0,2]=4 5328 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000748600_100000059175 [0,1,0,0,0,0|1,0,2]=4 5329 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100000748600_100009815848 [0,1,0,0,0,0|1,0,2]=4 5330 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100009815848_100000748600 [0,1,0,0,0,0|1,0,2]=4 5331 B9R0.46 CC(C#N)NCCCCO 2230a_100000737613_100000210776 [0,1,0,0,0,0|2,0,1]=4 5332 B9R0.46 CC(C#N)NCCCCO 2230a_100000750430_100000184139 [0,1,0,0,0,0|2,0,1]=4 5333 B9R0.46 CC(C#N)OCCCCO 34a_100011218135_100011216708 [0,1,0,0,0,0|2,0,1]=4 5334 B9R0.46 CC(C#N)SCCCCO 62a_100000210776_100000703298 [0,1,0,0,0,0|2,0,1]=4 5335 B9R0.46 CC(C#N)SCCCCO 62a_100000703298_100000210776 [0,1,0,0,0,0|2,0,1]=4 5336 B9R0.46 CC(CF)OCCCCF 34a_100016041109_100000729493 [0,1,0,0,0,0|3,0,0]=4 5337 B9R0.46 CC(CF)OCCCCF 7a_100016041109_100000729493 [0,1,0,0,0,0|3,0,0]=4 5338 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [0,1,0,0,0,0|2,0,0]=3 5339 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [0,1,0,0,0,0|2,0,0]=3 5340 B9R0.46 CC(CN)COCCCF 34a_100000744482_100011934791 [0,1,0,0,0,0|3,0,0]=4 5341 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,1,0,0,0,0|2,0,0]=3 5342 B9R0.46 CC(CN)OCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|3,0,0]=4 5343 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|2,0,0]=3 5344 B9R0.46 CC(CO)CCNCC#N 2230a_106354213184_100011215382 [0,1,0,0,0,0|2,0,1]=4 5345 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,1,0,0,0,0|2,0,1]=4 5346 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,1,0,0,0,0|2,0,1]=4 5347 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [0,1,0,0,0,0|2,0,0]=3 5348 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [0,1,0,0,0,0|2,0,0]=3 5349 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,1,0,0,0,0|2,0,0]=3 5350 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,1,0,0,0,0|2,0,0]=3 5351 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,1,0,0,0,0|2,0,0]=3 5352 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,1,0,0,0,0|2,0,0]=3 5353 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,1,0,0,0,0|2,0,0]=3 5354 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,1,0,0,0,0|2,0,0]=3 5355 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [0,1,0,0,0,0|2,0,0]=3 5356 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [0,1,0,0,0,0|2,0,0]=3 5357 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [0,1,0,0,0,0|2,0,0]=3 5358 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [0,1,0,0,0,0|2,0,0]=3 5359 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [0,1,0,0,0,0|2,0,0]=3 5360 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [0,1,0,0,0,0|2,0,0]=3 5361 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [0,1,0,0,0,0|2,0,0]=3 5362 B9R0.46 CC(CO)SCCCC#N 62a_100012180447_100000687738 [0,1,0,0,0,0|2,0,1]=4 5363 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,1,0,0,0,0|2,0,1]=4 5364 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,1,0,0,0,0|2,0,0]=3 5365 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,1,0,0,0,0|2,0,0]=3 5366 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|0,0,3]=4 5367 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [0,1,0,0,0,0|1,0,2]=4 5368 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [0,1,0,0,0,0|1,0,2]=4 5369 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [0,1,0,0,0,0|1,0,2]=4 5370 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [0,1,0,0,0,0|1,0,2]=4 5371 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [0,1,0,0,0,0|1,0,2]=4 5372 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [0,1,0,0,0,0|1,0,2]=4 5373 B9R0.46 CC=CCNC[C@@H](F)CO 34a_100015665980_100000070051 [0,1,0,0,0,0|1,0,2]=4 5374 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,1,0,0,0,0|1,0,2]=4 5375 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [0,1,0,0,0,0|1,0,2]=4 5376 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [0,1,0,0,0,0|1,0,2]=4 5377 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [0,1,0,0,0,0|1,0,2]=4 5378 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [0,1,0,0,0,0|1,0,2]=4 5379 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [0,1,0,0,0,0|1,0,2]=4 5380 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [0,1,0,0,0,0|1,0,2]=4 5381 B9R0.46 CCC#CCN[C@H](C)CO 2230a_100000737577_100009813939 [0,1,0,0,0,0|1,0,2]=4 5382 B9R0.46 CCC#CCOC(C)CO 34a_100000032950_100012180447 [0,1,0,0,0,0|1,0,2]=4 5383 B9R0.46 CCC#CCSC(C)CO 62a_100012180447_100009813939 [0,1,0,0,0,0|1,0,2]=4 5384 B9R0.46 CCC#CCS[C@H](C)CO 62a_100009813939_100016084084 [0,1,0,0,0,0|1,0,2]=4 5385 B9R0.46 CCC#CCS[C@H](C)CO 62a_100016084084_100009813939 [0,1,0,0,0,0|1,0,2]=4 5386 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|1,0,2]=4 5387 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|1,0,1]=3 5388 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|0,0,1]=2 5389 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|0,0,1]=2 5390 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|2,0,1]=4 5391 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|1,0,1]=3 5392 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|1,0,1]=3 5393 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|2,0,1]=4 5394 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|1,0,1]=3 5395 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|2,0,1]=4 5396 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|2,0,1]=4 5397 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|1,0,1]=3 5398 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|1,0,1]=3 5399 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|1,0,1]=3 5400 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|1,0,1]=3 5401 B9R0.46 CCC(C)C=NNCCO 4a_100000210001_100000243153 [0,1,0,0,0,0|2,0,1]=4 5402 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,0,0,0,0|2,0,0]=3 5403 B9R0.46 CCC(C)CCNCC#N 2230a_100020591266_100011215382 [0,1,0,0,0,0|2,0,1]=4 5404 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,1,0,0,0,0|1,0,2]=4 5405 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,1,0,0,0,0|2,0,0]=3 5406 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,1,0,0,0,0|1,0,0]=2 5407 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,1,0,0,0,0|3,0,0]=4 5408 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,1,0,0,0,0|3,0,0]=4 5409 B9R0.46 CCC(C)CCOCC#N 7a_100011215188_100011215382 [0,1,0,0,0,0|2,0,1]=4 5410 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,1,0,0,0,0|1,0,2]=4 5411 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,1,0,0,0,0|2,0,0]=3 5412 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,1,0,0,0,0|1,0,0]=2 5413 B9R0.46 CCC(C)CNCCC#N 2230a_100020588543_100011215226 [0,1,0,0,0,0|2,0,1]=4 5414 B9R0.46 CCC(C)CNCCC#N 270004a_100000720768_100000243153 [0,1,0,0,0,0|2,0,1]=4 5415 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,1,0,0,0,0|2,0,0]=3 5416 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,1,0,0,0,0|2,0,0]=3 5417 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,1,0,0,0,0|2,0,0]=3 5418 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,1,0,0,0,0|2,0,0]=3 5419 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,1,0,0,0,0|1,0,0]=2 5420 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,1,0,0,0,0|1,0,0]=2 5421 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,1,0,0,0,0|3,0,0]=4 5422 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,1,0,0,0,0|3,0,0]=4 5423 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,1,0,0,0,0|3,0,0]=4 5424 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,1,0,0,0,0|3,0,0]=4 5425 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,1,0,0,0,0|3,0,0]=4 5426 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,1,0,0,0,0|3,0,0]=4 5427 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,1,0,0,0,0|2,0,0]=3 5428 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,1,0,0,0,0|2,0,0]=3 5429 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,1,0,0,0,0|2,0,0]=3 5430 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,1,0,0,0,0|2,0,0]=3 5431 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,1,0,0,0,0|3,0,0]=4 5432 B9R0.46 CCC(C)COCCON 34a_100000700252_100000748023 [0,1,0,0,0,0|3,0,0]=4 5433 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,1,0,0,0,0|3,0,0]=4 5434 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,1,0,0,0,0|3,0,0]=4 5435 B9R0.46 CCC(C)CSCCC#N 62a_100000748023_100011215226 [0,1,0,0,0,0|2,0,1]=4 5436 B9R0.46 CCC(C)CSCCC#N 62a_100011215226_100000748023 [0,1,0,0,0,0|2,0,1]=4 5437 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,1,0,0,0,0|2,0,0]=3 5438 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,1,0,0,0,0|2,0,0]=3 5439 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,1,0,0,0,0|1,0,0]=2 5440 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,1,0,0,0,0|1,0,0]=2 5441 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,1,0,0,0,0|3,0,0]=4 5442 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,1,0,0,0,0|3,0,0]=4 5443 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,1,0,0,0,0|3,0,0]=4 5444 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,1,0,0,0,0|3,0,0]=4 5445 B9R0.46 CCC(C)NCC#CCO 2230a_100000209981_200000047223 [0,1,0,0,0,0|1,0,2]=4 5446 B9R0.46 CCC(C)NCCCC#N 2230a_100000209981_100000687738 [0,1,0,0,0,0|2,0,1]=4 5447 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,1,0,0,0,0|1,0,2]=4 5448 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,1,0,0,0,0|2,0,0]=3 5449 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,1,0,0,0,0|1,0,0]=2 5450 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,1,0,0,0,0|1,0,0]=2 5451 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,1,0,0,0,0|1,0,0]=2 5452 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,1,0,0,0,0|3,0,0]=4 5453 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,1,0,0,0,0|3,0,0]=4 5454 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,1,0,0,0,0|3,0,0]=4 5455 B9R0.46 CCC(C)OCC#CCO 7a_100000210228_200000047223 [0,1,0,0,0,0|1,0,2]=4 5456 B9R0.46 CCC(C)OCCCC#N 7a_100000210228_100000687738 [0,1,0,0,0,0|2,0,1]=4 5457 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,1,0,0,0,0|1,0,2]=4 5458 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,1,0,0,0,0|2,0,0]=3 5459 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,1,0,0,0,0|2,0,0]=3 5460 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,1,0,0,0,0|2,0,0]=3 5461 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,1,0,0,0,0|2,0,0]=3 5462 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,1,0,0,0,0|2,0,0]=3 5463 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,1,0,0,0,0|2,0,0]=3 5464 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,1,0,0,0,0|2,0,0]=3 5465 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,1,0,0,0,0|2,0,0]=3 5466 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,0,0,0,0|1,0,0]=2 5467 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,1,0,0,0,0|3,0,0]=4 5468 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,0,0,0,0|3,0,0]=4 5469 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,0,0,0,0|3,0,0]=4 5470 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,0,0,0,0|3,0,0]=4 5471 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,0,0,0,0|3,0,0]=4 5472 B9R0.46 CCC(C)SCC#CCO 62a_100000758301_200000047223 [0,1,0,0,0,0|1,0,2]=4 5473 B9R0.46 CCC(C)SCC#CCO 62a_200000047223_100000758301 [0,1,0,0,0,0|1,0,2]=4 5474 B9R0.46 CCC(C)SCCCC#N 62a_100000687738_100000758301 [0,1,0,0,0,0|2,0,1]=4 5475 B9R0.46 CCC(C)SCCCC#N 62a_100000758301_100000687738 [0,1,0,0,0,0|2,0,1]=4 5476 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,1,0,0,0,0|1,0,2]=4 5477 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,1,0,0,0,0|1,0,2]=4 5478 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,1,0,0,0,0|2,0,0]=3 5479 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,1,0,0,0,0|2,0,0]=3 5480 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,1,0,0,0,0|1,0,0]=2 5481 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,1,0,0,0,0|1,0,0]=2 5482 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,1,0,0,0,0|3,0,0]=4 5483 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,1,0,0,0,0|3,0,0]=4 5484 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,1,0,0,0,0|2,0,1]=4 5485 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,1,0,0,0,0|2,0,0]=3 5486 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,1,0,0,0,0|2,0,0]=3 5487 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,1,0,0,0,0|2,0,0]=3 5488 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,0,0,0,0|1,0,0]=2 5489 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,0,0,0,0|3,0,0]=4 5490 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,0,0,0,0|3,0,0]=4 5491 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|3,0,0]=4 5492 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|3,0,0]=4 5493 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,0,0,0,0|2,0,0]=3 5494 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,0,0,0,0|2,0,0]=3 5495 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,0,0,0,0|2,0,0]=3 5496 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|2,0,0]=3 5497 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,0,0,0,0|3,0,0]=4 5498 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,1,0,0,0,0|3,0,0]=4 5499 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|3,0,0]=4 5500 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|3,0,0]=4 5501 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [0,1,0,0,0,0|2,0,1]=4 5502 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [0,1,0,0,0,0|2,0,1]=4 5503 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,1,0,0,0,0|2,0,0]=3 5504 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,1,0,0,0,0|2,0,0]=3 5505 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,0,0,0,0|1,0,0]=2 5506 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,0,0,0,0|1,0,0]=2 5507 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,0,0,0,0|3,0,0]=4 5508 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,0,0,0,0|3,0,0]=4 5509 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|3,0,0]=4 5510 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|3,0,0]=4 5511 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|1,0,1]=3 5512 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|1,0,1]=3 5513 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,1]=3 5514 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|0,0,1]=2 5515 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|2,0,1]=4 5516 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 5517 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 5518 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 5519 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|2,0,0]=3 5520 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|2,0,0]=3 5521 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|2,0,0]=3 5522 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|2,0,0]=3 5523 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|2,0,0]=3 5524 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|2,0,0]=3 5525 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|2,0,0]=3 5526 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|2,0,0]=3 5527 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 5528 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,0]=3 5529 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 5530 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 5531 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 5532 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|2,0,0]=3 5533 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|2,0,0]=3 5534 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|2,0,0]=3 5535 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|2,0,0]=3 5536 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,0]=3 5537 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,0]=3 5538 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,0]=3 5539 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,0]=3 5540 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|2,0,0]=3 5541 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|2,0,1]=4 5542 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|2,0,1]=4 5543 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|2,0,1]=4 5544 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|2,0,1]=4 5545 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,1]=3 5546 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,1]=3 5547 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,1,0,0,0,0|2,0,1]=4 5548 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,1,0,0,0,0|2,0,1]=4 5549 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|2,0,0]=3 5550 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|2,0,0]=3 5551 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|1,0,0]=2 5552 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|1,0,0]=2 5553 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,1,0,0,0,0|2,0,1]=4 5554 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,1,0,0,0,0|2,0,1]=4 5555 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|2,0,0]=3 5556 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|2,0,0]=3 5557 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|2,0,0]=3 5558 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,0]=3 5559 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,0]=3 5560 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,0]=3 5561 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|1,0,0]=2 5562 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|1,0,0]=2 5563 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,1,0,0,0,0|2,0,1]=4 5564 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,1,0,0,0,0|2,0,1]=4 5565 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|2,0,0]=3 5566 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|2,0,0]=3 5567 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|1,0,0]=2 5568 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|3,0,0]=4 5569 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|3,0,0]=4 5570 B9R0.46 CCCCCSC(F)C#N 62a_100000210326_200000117898 [0,1,0,0,0,0|2,0,1]=4 5571 B9R0.46 CCCCCSC(F)C#N 62a_200000117898_100000210326 [0,1,0,0,0,0|2,0,1]=4 5572 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|1,0,0]=2 5573 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|1,0,0]=2 5574 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|2,0,1]=4 5575 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|2,0,0]=3 5576 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|2,0,0]=3 5577 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|2,0,0]=3 5578 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|2,0,0]=3 5579 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|1,0,0]=2 5580 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|2,0,0]=3 5581 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|2,0,0]=3 5582 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|2,0,0]=3 5583 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,0]=2 5584 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,0]=2 5585 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|2,0,0]=3 5586 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|2,0,0]=3 5587 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|1,0,0]=2 5588 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|1,0,0]=2 5589 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|3,0,0]=4 5590 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|1,0,0]=2 5591 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|2,0,0]=3 5592 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|2,0,0]=3 5593 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,0]=2 5594 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,0]=2 5595 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,0]=2 5596 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,1,0,0,0,0|2,0,1]=4 5597 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|2,0,1]=4 5598 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|2,0,1]=4 5599 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|2,0,1]=4 5600 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|2,0,1]=4 5601 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|2,0,1]=4 5602 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|2,0,1]=4 5603 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,1]=3 5604 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|2,0,0]=3 5605 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|2,0,0]=3 5606 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,0]=3 5607 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|3,0,0]=4 5608 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|3,0,0]=4 5609 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|3,0,0]=4 5610 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|3,0,0]=4 5611 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|3,0,0]=4 5612 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|2,0,0]=3 5613 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|2,0,0]=3 5614 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|2,0,0]=3 5615 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,0]=2 5616 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,0]=2 5617 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 5618 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 5619 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|2,0,0]=3 5620 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|2,0,0]=3 5621 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|2,0,0]=3 5622 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|1,0,0]=2 5623 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|1,0,0]=2 5624 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|2,0,0]=3 5625 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|2,0,0]=3 5626 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,0]=2 5627 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,0]=2 5628 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,0]=3 5629 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|2,0,1]=4 5630 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|2,0,1]=4 5631 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|2,0,1]=4 5632 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|2,0,1]=4 5633 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|2,0,0]=3 5634 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|2,0,0]=3 5635 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|2,0,0]=3 5636 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|2,0,0]=3 5637 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,0]=2 5638 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,0]=2 5639 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|2,0,0]=3 5640 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|2,0,0]=3 5641 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|1,0,0]=2 5642 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|1,0,0]=2 5643 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|2,0,0]=3 5644 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|2,0,0]=3 5645 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,0]=2 5646 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,0]=2 5647 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|2,0,0]=3 5648 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|1,0,0]=2 5649 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|1,0,0]=2 5650 B9R0.46 CCCNN=CC(O)CO 4a_100000740057_100000033539 [0,1,0,0,0,0|2,0,1]=4 5651 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|2,0,1]=4 5652 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|2,0,1]=4 5653 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,1]=3 5654 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|2,0,0]=3 5655 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|3,0,0]=4 5656 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 5657 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 5658 B9R0.46 CCN(C)CCCCC#N 2230a_100000225621_100000211819 [0,1,0,0,0,0|2,0,1]=4 5659 B9R0.46 CCN(C)CCCCC#N 269982a_100000225621_100011219923 [0,1,0,0,0,0|2,0,1]=4 5660 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,1,0,0,0,0|1,0,2]=4 5661 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,1,0,0,0,0|1,0,2]=4 5662 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,1,0,0,0,0|2,0,0]=3 5663 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,1,0,0,0,0|2,0,0]=3 5664 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|1,0,0]=2 5665 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|1,0,0]=2 5666 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|1,0,0]=2 5667 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|1,0,0]=2 5668 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 5669 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 5670 B9R0.46 CCN(C)CCCSCF 62a_100015361967_100015186262 [0,1,0,0,0,0|3,0,0]=4 5671 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [0,1,0,0,0,0|2,0,0]=3 5672 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [0,1,0,0,0,0|2,0,0]=3 5673 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [0,1,0,0,0,0|2,0,0]=3 5674 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [0,1,0,0,0,0|2,0,0]=3 5675 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,1,0,0,0,0|3,0,0]=4 5676 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|2,0,1]=4 5677 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,1]=3 5678 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|2,0,0]=3 5679 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 5680 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 5681 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,0]=3 5682 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|2,0,1]=4 5683 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|2,0,1]=4 5684 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,1,0,0,0,0|3,0,0]=4 5685 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,1,0,0,0,0|3,0,0]=4 5686 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,1,0,0,0,0|3,0,0]=4 5687 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,1,0,0,0,0|2,0,0]=3 5688 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,1,0,0,0,0|2,0,0]=3 5689 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,1,0,0,0,0|2,0,0]=3 5690 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,1,0,0,0,0|3,0,0]=4 5691 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,1,0,0,0,0|3,0,0]=4 5692 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,1,0,0,0,0|3,0,0]=4 5693 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [0,1,0,0,0,0|3,0,0]=4 5694 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [0,1,0,0,0,0|3,0,0]=4 5695 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,1,0,0,0,0|3,0,0]=4 5696 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,1,0,0,0,0|2,0,0]=3 5697 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,1,0,0,0,0|2,0,0]=3 5698 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,1,0,0,0,0|3,0,0]=4 5699 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,1,0,0,0,0|3,0,0]=4 5700 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,1,0,0,0,0|2,0,0]=3 5701 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,1,0,0,0,0|2,0,0]=3 5702 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,1,0,0,0,0|2,0,0]=3 5703 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,1,0,0,0,0|3,0,0]=4 5704 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,1,0,0,0,0|3,0,0]=4 5705 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,1,0,0,0,0|3,0,0]=4 5706 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,1,0,0,0,0|3,0,0]=4 5707 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,1,0,0,0,0|2,0,0]=3 5708 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,1,0,0,0,0|2,0,0]=3 5709 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,1,0,0,0,0|3,0,0]=4 5710 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,1,0,0,0,0|3,0,0]=4 5711 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,1,0,0,0,0|2,0,0]=3 5712 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,1,0,0,0,0|2,0,0]=3 5713 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [0,1,0,0,0,0|3,0,0]=4 5714 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [0,1,0,0,0,0|3,0,0]=4 5715 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,1,0,0,0,0|2,0,0]=3 5716 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,1,0,0,0,0|2,0,0]=3 5717 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,1,0,0,0,0|3,0,0]=4 5718 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|2,0,1]=4 5719 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|2,0,1]=4 5720 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,1,0,0,0,0|3,0,0]=4 5721 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,1,0,0,0,0|3,0,0]=4 5722 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [0,1,0,0,0,0|2,0,0]=3 5723 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [0,1,0,0,0,0|2,0,0]=3 5724 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,1,0,0,0,0|3,0,0]=4 5725 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,1,0,0,0,0|3,0,0]=4 5726 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,1,0,0,0,0|3,0,0]=4 5727 B9R0.46 CCSCCOC(C)CF 34a_100016041109_100000757381 [0,1,0,0,0,0|3,0,0]=4 5728 B9R0.46 CCSCCOC(C)CF 7a_100016041109_100000757381 [0,1,0,0,0,0|3,0,0]=4 5729 B9R0.46 CCSCCOC(C)CN 34a_100000210904_100000757381 [0,1,0,0,0,0|3,0,0]=4 5730 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [0,1,0,0,0,0|2,0,0]=3 5731 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [0,1,0,0,0,0|2,0,0]=3 5732 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,1,0,0,0,0|3,0,0]=4 5733 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,1,0,0,0,0|3,0,0]=4 5734 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,1,0,0,0,0|2,0,0]=3 5735 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,1,0,0,0,0|2,0,0]=3 5736 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,1,0,0,0,0|2,0,0]=3 5737 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,1,0,0,0,0|2,0,0]=3 5738 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,1,0,0,0,0|2,0,0]=3 5739 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,1,0,0,0,0|3,0,0]=4 5740 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,1,0,0,0,0|3,0,0]=4 5741 B9R0.46 CC[C@H](C)COCCC#N 7a_100009816381_100000184422 [0,1,0,0,0,0|2,0,1]=4 5742 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,1,0,0,0,0|2,0,0]=3 5743 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,1,0,0,0,0|2,0,0]=3 5744 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,1,0,0,0,0|2,0,0]=3 5745 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,1,0,0,0,0|2,0,0]=3 5746 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,1,0,0,0,0|2,0,0]=3 5747 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,0,0,0,0|1,0,0]=2 5748 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,1,0,0,0,0|3,0,0]=4 5749 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,1,0,0,0,0|3,0,0]=4 5750 B9R0.46 CC[C@H](C)COCCON 34a_100000700252_100009816398 [0,1,0,0,0,0|3,0,0]=4 5751 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,1,0,0,0,0|3,0,0]=4 5752 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,1,0,0,0,0|3,0,0]=4 5753 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,1,0,0,0,0|3,0,0]=4 5754 B9R0.46 CC[C@H](C)CSCCC#N 62a_100009816398_100011215226 [0,1,0,0,0,0|2,0,1]=4 5755 B9R0.46 CC[C@H](C)CSCCC#N 62a_100011215226_100009816398 [0,1,0,0,0,0|2,0,1]=4 5756 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,1,0,0,0,0|2,0,0]=3 5757 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,1,0,0,0,0|2,0,0]=3 5758 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,1,0,0,0,0|1,0,0]=2 5759 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,1,0,0,0,0|1,0,0]=2 5760 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,1,0,0,0,0|3,0,0]=4 5761 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,1,0,0,0,0|3,0,0]=4 5762 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,1,0,0,0,0|3,0,0]=4 5763 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,1,0,0,0,0|3,0,0]=4 5764 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,1,0,0,0,0|2,0,0]=3 5765 B9R0.46 CN(CF)CCOCCO 269982a_100000228057_100015361967 [0,1,0,0,0,0|3,0,0]=4 5766 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,1]=3 5767 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|2,0,1]=4 5768 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|2,0,1]=4 5769 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|2,0,1]=4 5770 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|2,0,1]=4 5771 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|2,0,1]=4 5772 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|2,0,1]=4 5773 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|2,0,1]=4 5774 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|2,0,1]=4 5775 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|2,0,1]=4 5776 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|2,0,1]=4 5777 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|2,0,1]=4 5778 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|2,0,1]=4 5779 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|2,0,1]=4 5780 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,1]=4 5781 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 5782 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 5783 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 5784 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 5785 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,1]=4 5786 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [0,1,0,0,0,0|2,0,0]=3 5787 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|2,0,1]=4 5788 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|2,0,1]=4 5789 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|2,0,1]=4 5790 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|2,0,1]=4 5791 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,1]=4 5792 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,1]=4 5793 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [0,1,0,0,0,0|3,0,0]=4 5794 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,1,0,0,0,0|2,0,0]=3 5795 B9R0.46 COC(C)COCCCF 34a_100000690652_100011934791 [0,1,0,0,0,0|3,0,0]=4 5796 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,1,0,0,0,0|2,0,0]=3 5797 B9R0.46 COC(C)SCCCCF 62a_100000729493_100009879195 [0,1,0,0,0,0|3,0,0]=4 5798 B9R0.46 COC(C)SCCCCF 62a_100009879195_100000729493 [0,1,0,0,0,0|3,0,0]=4 5799 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,1,0,0,0,0|2,0,0]=3 5800 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,1,0,0,0,0|2,0,0]=3 5801 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,1]=3 5802 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 5803 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 5804 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [0,1,0,0,0,0|2,0,0]=3 5805 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [0,1,0,0,0,0|2,0,0]=3 5806 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [0,1,0,0,0,0|3,0,0]=4 5807 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [0,1,0,0,0,0|3,0,0]=4 5808 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,1,0,0,0,0|3,0,0]=4 5809 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,1,0,0,0,0|2,0,0]=3 5810 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,1,0,0,0,0|2,0,0]=3 5811 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,1,0,0,0,0|2,0,0]=3 5812 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,1,0,0,0,0|2,0,0]=3 5813 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,1,0,0,0,0|2,0,0]=3 5814 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,1,0,0,0,0|2,0,0]=3 5815 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,1,0,0,0,0|2,0,0]=3 5816 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,1,0,0,0,0|2,0,0]=3 5817 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,1,0,0,0,0|3,0,0]=4 5818 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,1,0,0,0,0|2,0,0]=3 5819 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,1,0,0,0,0|2,0,0]=3 5820 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [0,1,0,0,0,0|3,0,0]=4 5821 B9R0.46 COCCOCC(Cl)CCl 34a_100000033668_100011201679 [0,1,0,0,0,0|3,0,0]=4 5822 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,1,0,0,0,0|2,0,0]=3 5823 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,1,0,0,0,0|2,0,0]=3 5824 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,1,0,0,0,0|3,0,0]=4 5825 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,1,0,0,0,0|2,0,0]=3 5826 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [0,1,0,0,0,0|3,0,0]=4 5827 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,1,0,0,0,0|2,0,0]=3 5828 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,1,0,0,0,0|2,0,0]=3 5829 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,1,0,0,0,0|2,0,0]=3 5830 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,1,0,0,0,0|2,0,0]=3 5831 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,1,0,0,0,0|3,0,0]=4 5832 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,1,0,0,0,0|3,0,0]=4 5833 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,1,0,0,0,0|2,0,0]=3 5834 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,1,0,0,0,0|2,0,0]=3 5835 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [0,1,0,0,0,0|2,0,0]=3 5836 B9R0.46 CO[C@H](C)CNCCCF 2230a_100020591295_100011934791 [0,1,0,0,0,0|3,0,0]=4 5837 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,1,0,0,0,0|2,0,0]=3 5838 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 5839 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 5840 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [0,1,0,0,0,0|2,0,0]=3 5841 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [0,1,0,0,0,0|2,0,0]=3 5842 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [0,1,0,0,0,0|2,0,0]=3 5843 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,1,0,0,0,0|2,0,0]=3 5844 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,1,0,0,0,0|2,0,0]=3 5845 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,1,0,0,0,0|2,0,0]=3 5846 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,1,0,0,0,0|2,0,0]=3 5847 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,1,0,0,0,0|3,0,0]=4 5848 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,1,0,0,0,0|2,0,0]=3 5849 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,1,0,0,0,0|2,0,0]=3 5850 B9R0.46 CSCCOCC(C)CN 34a_100000744482_100000212216 [0,1,0,0,0,0|3,0,0]=4 5851 B9R0.46 CSCCOCC(Cl)CCl 34a_100000033668_100000212216 [0,1,0,0,0,0|3,0,0]=4 5852 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,1,0,0,0,0|2,0,0]=3 5853 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,1,0,0,0,0|2,0,0]=3 5854 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,1,0,0,0,0|2,0,0]=3 5855 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,1,0,0,0,0|2,0,0]=3 5856 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,1,0,0,0,0|3,0,0]=4 5857 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,1,0,0,0,0|3,0,0]=4 5858 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,1,0,0,0,0|2,0,0]=3 5859 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,1,0,0,0,0|2,0,0]=3 5860 B9R0.46 CSCCOC[C@H](F)CN 34a_100015665980_100000212216 [0,1,0,0,0,0|3,0,0]=4 5861 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,1,0,0,0,0|2,0,0]=3 5862 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,1,0,0,0,0|2,0,0]=3 5863 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,1,0,0,0,0|2,0,0]=3 5864 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,1,0,0,0,0|2,0,0]=3 5865 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [0,1,0,0,0,0|3,0,0]=4 5866 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [0,1,0,0,0,0|3,0,0]=4 5867 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,1,0,0,0,0|2,0,0]=3 5868 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,1,0,0,0,0|2,0,0]=3 5869 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [0,1,0,0,0,0|2,0,0]=3 5870 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [0,1,0,0,0,0|2,0,0]=3 5871 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,1,0,0,0,0|3,0,0]=4 5872 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,1,0,0,0,0|2,0,0]=3 5873 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,1,0,0,0,0|2,0,0]=3 5874 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,1,0,0,0,0|2,0,0]=3 5875 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,1,0,0,0,0|2,0,0]=3 5876 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,1,0,0,0,0|2,0,0]=3 5877 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,1,0,0,0,0|2,0,0]=3 5878 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,1,0,0,0,0|3,0,0]=4 5879 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100000059175_100011215226 [0,1,0,0,0,0|2,0,1]=4 5880 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100011215226_100000059175 [0,1,0,0,0,0|2,0,1]=4 5881 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,1,0,0,0,0|2,0,0]=3 5882 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,1,0,0,0,0|2,0,0]=3 5883 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,1,0,0,0,0|2,0,0]=3 5884 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,1,0,0,0,0|2,0,0]=3 5885 B9R0.46 C[C@H](CO)NCCCC#N 2230a_100000737577_100000687738 [0,1,0,0,0,0|2,0,1]=4 5886 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,1,0,0,0,0|2,0,1]=4 5887 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [0,1,0,0,0,0|2,0,0]=3 5888 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,1,0,0,0,0|2,0,0]=3 5889 B9R0.46 C[C@H](CO)SCCCC#N 62a_100000687738_100016084084 [0,1,0,0,0,0|2,0,1]=4 5890 B9R0.46 C[C@H](CO)SCCCC#N 62a_100016084084_100000687738 [0,1,0,0,0,0|2,0,1]=4 5891 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,1,0,0,0,0|2,0,1]=4 5892 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,1,0,0,0,0|2,0,1]=4 5893 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,1,0,0,0,0|2,0,0]=3 5894 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,1,0,0,0,0|2,0,0]=3 5895 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,1,0,0,0,0|2,0,0]=3 5896 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,1,0,0,0,0|2,0,0]=3 5897 B9R0.46 FCCCOCC(Cl)CCl 34a_100000033668_100011934791 [0,1,0,0,0,0|3,0,0]=4 5898 B9R0.46 N#CC(F)SCCCCO 62a_100000210776_200000117898 [0,1,0,0,0,0|2,0,1]=4 5899 B9R0.46 N#CC(F)SCCCCO 62a_200000117898_100000210776 [0,1,0,0,0,0|2,0,1]=4 5900 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|1,0,2]=4 5901 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,1,0,0,0,0|2,0,1]=4 5902 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,1,0,0,0,0|2,0,1]=4 5903 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,1,0,0,0,0|2,0,1]=4 5904 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,1,0,0,0,0|2,0,1]=4 5905 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,1,0,0,0,0|2,0,1]=4 5906 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,1,0,0,0,0|2,0,0]=3 5907 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,1,0,0,0,0|3,0,0]=4 5908 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,1,0,0,0,0|2,0,0]=3 5909 B9R0.46 NC[C@@H](F)COCCCF 34a_100015665980_100011934791 [0,1,0,0,0,0|3,0,0]=4 5910 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,1,0,0,0,0|2,0,0]=3 5911 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,1,0,0,0,0|3,0,0]=4 5912 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,1,0,0,0,0|3,0,0]=4 5913 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|1,0,1]=3 5914 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,1,0,0,0,0|2,0,1]=4 5915 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,1]=3 5916 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,1]=3 5917 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|2,0,1]=4 5918 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 5919 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 5920 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,1,0,0,0,0|2,0,0]=3 5921 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,1,0,0,0,0|2,0,0]=3 5922 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,1,0,0,0,0|2,0,0]=3 5923 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,1,0,0,0,0|2,0,0]=3 5924 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,1,0,0,0,0|2,0,0]=3 5925 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,1,0,0,0,0|2,0,0]=3 5926 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,1,0,0,0,0|2,0,0]=3 5927 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,1,0,0,0,0|2,0,0]=3 5928 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,1,0,0,0,0|2,0,0]=3 5929 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,1,0,0,0,0|2,0,0]=3 5930 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,1,0,0,0,0|2,0,0]=3 5931 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,1,0,0,0,0|2,0,0]=3 5932 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,1,0,0,0,0|2,0,0]=3 5933 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,1,0,0,0,0|2,0,0]=3 5934 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,1,0,0,0,0|2,0,0]=3 5935 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,1,0,0,0,0|2,0,0]=3 5936 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,1,0,0,0,0|2,0,0]=3 5937 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,1,0,0,0,0|2,0,0]=3 5938 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,1,0,0,0,0|2,0,0]=3 5939 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,1,0,0,0,0|2,0,0]=3 5940 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,1,0,0,0,0|2,0,0]=3 5941 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,1,0,0,0,0|2,0,0]=3 5942 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,1,0,0,0,0|2,0,0]=3 5943 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,1,0,0,0,0|2,0,0]=3 5944 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,1,0,0,0,0|2,0,0]=3 5945 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,1,0,0,0,0|3,0,0]=4 5946 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,1,0,0,0,0|3,0,0]=4 5947 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,1,0,0,0,0|3,0,0]=4 5948 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,1,0,0,0,0|3,0,0]=4 5949 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,1,0,0,0,0|3,0,0]=4 5950 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,1,0,0,0,0|3,0,0]=4 5951 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,1,0,0,0,0|3,0,0]=4 5952 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [0,0,0,1,0,0|3,0,0]=4 5953 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [0,0,0,1,0,0|3,0,0]=4 5954 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [0,0,0,1,0,0|3,0,0]=4 5955 B9R1.4 COCC1CCN1CF 269982a_100015195929_100015361967 [0,0,0,1,0,0|3,0,0]=4 5956 B9R1.4 COCC1CCN1CF 34a_100015195929_100015361967 [0,0,0,1,0,0|3,0,0]=4 5957 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 5958 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 5959 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,0,0,1,0,0|3,0,0]=4 5960 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [0,0,0,1,0,0|3,0,0]=4 5961 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [0,0,0,1,0,0|3,0,0]=4 5962 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [0,0,0,1,0,0|3,0,0]=4 5963 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [0,0,0,1,0,0|3,0,0]=4 5964 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [0,0,0,1,0,0|3,0,0]=4 5965 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,0,0,1,0,0|2,0,1]=4 5966 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,0,0,1,0,0|2,0,0]=3 5967 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,0,0,1,0,0|2,0,0]=3 5968 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,0,0,1,0,0|2,0,0]=3 5969 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,0,0,1,0,0|3,0,0]=4 5970 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,0,0,1,0,0|3,0,0]=4 5971 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,0,0,1,0,0|3,0,0]=4 5972 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,0,0,1,0,0|3,0,0]=4 5973 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,0,0,1,0,0|3,0,0]=4 5974 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,0,0,1,0,0|3,0,0]=4 5975 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,0,0,1,0,0|3,0,0]=4 5976 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,0,0,1,0,0|3,0,0]=4 5977 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,0,0,1,0,0|3,0,0]=4 5978 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,0,0,1,0,0|3,0,0]=4 5979 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,0,0,1,0,0|3,0,0]=4 5980 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,0,0,1,0,0|2,0,1]=4 5981 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,0,1,0,0|2,0,0]=3 5982 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,0,1,0,0|2,0,0]=3 5983 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,0,1,0,0|2,0,0]=3 5984 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,1,0,0|1,0,0]=2 5985 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,0,0,1,0,0|3,0,0]=4 5986 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,0,0,1,0,0|3,0,0]=4 5987 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,0,0,1,0,0|3,0,0]=4 5988 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,0,0,1,0,0|3,0,0]=4 5989 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,0,0,1,0,0|3,0,0]=4 5990 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,0,0,1,0,0|3,0,0]=4 5991 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,0,0,1,0,0|3,0,0]=4 5992 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,0,0,1,0,0|2,0,1]=4 5993 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,0,0,1,0,0|2,0,1]=4 5994 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,0,1,0,0|2,0,0]=3 5995 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,0,1,0,0|2,0,0]=3 5996 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,0,0,1,0,0|3,0,0]=4 5997 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,0,0,1,0,0|3,0,0]=4 5998 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,0,0,1,0,0|3,0,0]=4 5999 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,0,0,1,0,0|2,0,0]=3 6000 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,0,0,1,0,0|2,0,0]=3 6001 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,0,0,1,0,0|2,0,0]=3 6002 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,0,0,1,0,0|2,0,0]=3 6003 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,0,0,1,0,0|2,0,0]=3 6004 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,0,0,1,0,0|2,0,0]=3 6005 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,0,1,0,0|1,0,0]=2 6006 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,0,1,0,0|1,0,0]=2 6007 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,0,1,0,0|1,0,0]=2 6008 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,0,1,0,0|1,0,0]=2 6009 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,0,1,0,0|1,0,0]=2 6010 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,0,0,1,0,0|3,0,0]=4 6011 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,0,0,1,0,0|3,0,0]=4 6012 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,0,0,1,0,0|3,0,0]=4 6013 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,0,0,1,0,0|3,0,0]=4 6014 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,0,0,1,0,0|3,0,0]=4 6015 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,0,0,1,0,0|3,0,0]=4 6016 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,0,0,1,0,0|3,0,0]=4 6017 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,0,0,1,0,0|3,0,0]=4 6018 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,0,0,1,0,0|3,0,0]=4 6019 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,0,0,1,0,0|3,0,0]=4 6020 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,0,0,1,0,0|3,0,0]=4 6021 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,0,0,1,0,0|3,0,0]=4 6022 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,0,0,1,0,0|3,0,0]=4 6023 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,0,0,1,0,0|3,0,0]=4 6024 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,0,0,1,0,0|3,0,0]=4 6025 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,0,0,1,0,0|2,0,0]=3 6026 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,0,0,1,0,0|2,0,0]=3 6027 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,0,0,1,0,0|1,0,2]=4 6028 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,0,0,1,0,0|2,0,0]=3 6029 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,0,0,1,0,0|2,0,0]=3 6030 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,0,0,1,0,0|2,0,0]=3 6031 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,0,0,1,0,0|2,0,0]=3 6032 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,0,1,0,0|1,0,0]=2 6033 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,0,1,0,0|1,0,0]=2 6034 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,0,1,0,0|1,0,0]=2 6035 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 6036 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,0,0,1,0,0|3,0,0]=4 6037 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,0,0,1,0,0|3,0,0]=4 6038 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 6039 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,0,0,1,0,0|3,0,0]=4 6040 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,0,0,1,0,0|3,0,0]=4 6041 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,0,0,1,0,0|3,0,0]=4 6042 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,0,0,1,0,0|3,0,0]=4 6043 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,0,0,1,0,0|2,0,0]=3 6044 B9R1.8 COC[C@@H]1COCCN1 34a_100000717676_200000210301 [0,0,0,1,0,0|3,0,0]=4 6045 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,0,0,1,0,0|2,0,0]=3 6046 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,0,1,0,0|2,0,0]=3 6047 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,0,1,0,0|2,0,0]=3 6048 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,1,0,0|1,0,0]=2 6049 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,1,0,0|1,0,0]=2 6050 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,0,0,1,0,0|3,0,0]=4 6051 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,0,0,1,0,0|3,0,0]=4 6052 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,0,0,1,0,0|3,0,0]=4 6053 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,0,0,1,0,0|3,0,0]=4 6054 B9R1.8 FCCN1CCCOC1 2230a_100000131196_100011217306 [0,0,0,1,0,0|3,0,0]=4 6055 B9R1.8 FCCN1CCCOC1 269982a_100000131196_100011217306 [0,0,0,1,0,0|3,0,0]=4 6056 B9R1.8 FCCN1CCCOC1 34a_100000131196_100011217306 [0,0,0,1,0,0|3,0,0]=4 6057 B9R1.8 FCCN1CCOCC1 2230a_100015191051_100011217306 [0,0,0,1,0,0|3,0,0]=4 6058 B9R1.8 FCCN1CCOCC1 269982a_100015191051_100011217306 [0,0,0,1,0,0|3,0,0]=4 6059 B9R1.8 FCCN1CCOCC1 34a_100015191051_100011217306 [0,0,0,1,0,0|3,0,0]=4 6060 B9R1.8 FCCN1CCSCC1 2230a_100000737611_100011217306 [0,0,0,1,0,0|3,0,0]=4 6061 B9R1.8 FCCN1CCSCC1 269982a_100000737611_100011217306 [0,0,0,1,0,0|3,0,0]=4 6062 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,0,0,1,0,0|2,0,0]=3 6063 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [0,0,0,1,0,0|3,0,0]=4 6064 B9R1.8 FCNC1CCOCC1 34a_100000741149_100015361967 [0,0,0,1,0,0|3,0,0]=4 6065 B9R1.8 FCNC1CCSCC1 34a_100000748639_100015361967 [0,0,0,1,0,0|3,0,0]=4 6066 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,0,0,1,0,0|2,0,0]=3 6067 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,0,0,1,0,0|2,0,0]=3 6068 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,0,0,1,0,0|2,0,0]=3 6069 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,0,0,1,0,0|3,0,0]=4 6070 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,0,0,1,0,0|3,0,0]=4 6071 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,0,0,1,0,0|3,0,0]=4 6072 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,0,0,1,0,0|3,0,0]=4 6073 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,0,0,1,0,0|3,0,0]=4 6074 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,0,0,1,0,0|2,0,0]=3 6075 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,0,0,1,0,0|2,0,0]=3 6076 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [0,0,0,1,0,0|3,0,0]=4 6077 B9R1.8 FCSC1CCOCC1 62a_100015361967_100011324220 [0,0,0,1,0,0|3,0,0]=4 6078 B9R1.8 FCSC1CCSCC1 62a_100015361967_100000069128 [0,0,0,1,0,0|3,0,0]=4 6079 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [0,0,0,1,0,0|1,0,2]=4 6080 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [0,0,0,1,0,0|1,0,2]=4 6081 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [0,0,0,1,0,0|1,0,2]=4 6082 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [0,0,0,1,0,0|2,0,0]=3 6083 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [0,0,0,1,0,0|2,0,0]=3 6084 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [0,0,0,1,0,0|2,0,0]=3 6085 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [0,0,0,1,0,0|2,0,0]=3 6086 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [0,0,0,1,0,0|2,0,0]=3 6087 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [0,0,0,1,0,0|2,0,0]=3 6088 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [0,0,0,1,0,0|2,0,0]=3 6089 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [0,0,0,1,0,0|2,0,0]=3 6090 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,0,0,1,0,0|2,0,0]=3 6091 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,0,0,1,0,0|2,0,0]=3 6092 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,0,1,0,0|1,0,0]=2 6093 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,0,1,0,0|1,0,0]=2 6094 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,0,0,1,0,0|3,0,0]=4 6095 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,0,0,1,0,0|3,0,0]=4 6096 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,0,0,1,0,0|3,0,0]=4 6097 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,0,0,1,0,0|3,0,0]=4 6098 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,0,0,1,0,0|3,0,0]=4 6099 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,0,0,1,0,0|3,0,0]=4 6100 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,0,0,1,0,0|2,0,0]=3 6101 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,0,0,1,0,0|2,0,0]=3 6102 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,0,0,1,0,0|1,0,2]=4 6103 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,0,0,1,0,0|2,0,0]=3 6104 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,0,0,1,0,0|2,0,0]=3 6105 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,0,0,1,0,0|2,0,0]=3 6106 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,0,1,0,0|1,0,0]=2 6107 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,0,1,0,0|1,0,0]=2 6108 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 6109 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,0,0,1,0,0|3,0,0]=4 6110 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 6111 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,0,0,1,0,0|3,0,0]=4 6112 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,0,0,1,0,0|3,0,0]=4 6113 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,0,0,1,0,0|3,0,0]=4 6114 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,0,0,1,0,0|2,0,0]=3 6115 B9R1.8 [13CH3]OC[C@@H]1COCCN1 34a_100000717676_200025704644 [0,0,0,1,0,0|3,0,0]=4 6116 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,0,0,1,0,0|2,0,0]=3 6117 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,0,1,0,0|2,0,0]=3 6118 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,0,1,0,0|2,0,0]=3 6119 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,1,0,0|1,0,0]=2 6120 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,1,0,0|1,0,0]=2 6121 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,0,0,1,0,0|3,0,0]=4 6122 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,0,0,1,0,0|3,0,0]=4 6123 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,0,0,1,0,0|3,0,0]=4 6124 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,0,0,1,0,0|3,0,0]=4 6125 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,0,0,1,0,0|2,0,0]=3 6126 B9R1.12 BrCCOC1CCOC1 34a_100000211926_100000690089 [0,0,0,1,0,0|3,0,0]=4 6127 B9R1.12 C#CCCN1CCCC1 2230a_100000188435_100000688953 [0,0,0,1,0,0|2,0,1]=4 6128 B9R1.12 C#CCCN1CCCC1 269982a_100000188435_100000730999 [0,0,0,1,0,0|2,0,1]=4 6129 B9R1.12 C#CCNC1CCCC1 2230a_100000211070_100000038162 [0,0,0,1,0,0|2,0,1]=4 6130 B9R1.12 C#CCNC1CCCC1 34a_100000211070_100000184674 [0,0,0,1,0,0|2,0,1]=4 6131 B9R1.12 C#CCNC1CCCC1 34a_100000212058_100000179811 [0,0,0,1,0,0|2,0,1]=4 6132 B9R1.12 C#CCOC1CCCC1 34a_100000210247_100000179811 [0,0,0,1,0,0|2,0,1]=4 6133 B9R1.12 C#CCOC1CCCC1 34a_100000210269_100000184674 [0,0,0,1,0,0|2,0,1]=4 6134 B9R1.12 C#CCOC1CCCC1 7a_100000210269_100000038162 [0,0,0,1,0,0|2,0,1]=4 6135 B9R1.12 C#CCOC1CCCO1 34a_100000085407_100000184674 [0,0,0,1,0,0|1,0,2]=4 6136 B9R1.12 C#CCSC1CCCC1 62a_100000038162_100000179811 [0,0,0,1,0,0|2,0,1]=4 6137 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [0,0,0,1,0,0|2,0,1]=4 6138 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [0,0,0,1,0,0|2,0,1]=4 6139 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [0,0,0,1,0,0|2,0,1]=4 6140 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [0,0,0,1,0,0|2,0,1]=4 6141 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [0,0,0,1,0,0|2,0,1]=4 6142 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [0,0,0,1,0,0|2,0,1]=4 6143 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,0,0,1,0,0|2,0,1]=4 6144 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,0,0,1,0,0|2,0,1]=4 6145 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,0,0,1,0,0|2,0,1]=4 6146 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [0,0,0,1,0,0|1,0,2]=4 6147 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,0,0,1,0,0|2,0,1]=4 6148 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,0,0,1,0,0|2,0,1]=4 6149 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,0,0,1,0,0|2,0,0]=3 6150 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,0,0,1,0,0|2,0,0]=3 6151 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [0,0,0,1,0,0|3,0,0]=4 6152 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [0,0,0,1,0,0|3,0,0]=4 6153 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,0,0,1,0,0|2,0,0]=3 6154 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,0,0,1,0,0|2,0,0]=3 6155 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,0,0,1,0,0|2,0,0]=3 6156 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,0,0,1,0,0|3,0,0]=4 6157 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [0,0,0,1,0,0|3,0,0]=4 6158 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,0,0,1,0,0|3,0,0]=4 6159 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,0,0,1,0,0|3,0,0]=4 6160 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,0,0,1,0,0|3,0,0]=4 6161 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,0,0,1,0,0|2,0,0]=3 6162 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,0,0,1,0,0|2,0,0]=3 6163 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,0,0,1,0,0|2,0,0]=3 6164 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,0,0,1,0,0|1,0,0]=2 6165 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,0,0,1,0,0|3,0,0]=4 6166 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [0,0,0,1,0,0|3,0,0]=4 6167 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,0,0,1,0,0|3,0,0]=4 6168 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,0,0,1,0,0|2,0,0]=3 6169 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,0,0,1,0,0|2,0,0]=3 6170 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,0,0,1,0,0|3,0,0]=4 6171 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,0,0,1,0,0|2,0,0]=3 6172 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,0,0,1,0,0|2,0,0]=3 6173 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,0,0,1,0,0|2,0,0]=3 6174 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,0,0,1,0,0|2,0,0]=3 6175 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,0,0,1,0,0|1,0,0]=2 6176 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [0,0,0,1,0,0|3,0,0]=4 6177 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [0,0,0,1,0,0|3,0,0]=4 6178 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [0,0,0,1,0,0|3,0,0]=4 6179 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,0,0,1,0,0|2,0,0]=3 6180 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,0,0,1,0,0|2,0,0]=3 6181 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,0,0,1,0,0|2,0,0]=3 6182 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,0,0,1,0,0|1,0,0]=2 6183 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,0,0,1,0,0|1,0,0]=2 6184 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,0,0,1,0,0|2,0,0]=3 6185 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,0,0,1,0,0|2,0,0]=3 6186 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,0,0,1,0,0|2,0,0]=3 6187 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,0,0,1,0,0|1,0,0]=2 6188 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,0,0,1,0,0|1,0,0]=2 6189 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [0,0,0,1,0,0|3,0,0]=4 6190 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,0,0,1,0,0|3,0,0]=4 6191 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,0,0,1,0,0|3,0,0]=4 6192 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,0,0,1,0,0|2,0,0]=3 6193 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,0,0,1,0,0|2,0,0]=3 6194 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,0,0,1,0,0|2,0,0]=3 6195 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [0,0,0,1,0,0|3,0,0]=4 6196 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,0,0,1,0,0|2,0,0]=3 6197 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,0,0,1,0,0|2,0,0]=3 6198 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,0,0,1,0,0|2,0,0]=3 6199 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,0,0,1,0,0|1,0,0]=2 6200 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,0,0,1,0,0|1,0,0]=2 6201 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [0,0,0,1,0,0|3,0,0]=4 6202 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [0,0,0,1,0,0|3,0,0]=4 6203 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,0,0,1,0,0|2,0,0]=3 6204 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,0,0,1,0,0|2,0,0]=3 6205 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,0,0,1,0,0|2,0,0]=3 6206 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,0,0,1,0,0|2,0,0]=3 6207 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,0,0,1,0,0|2,0,0]=3 6208 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,0,0,1,0,0|2,0,0]=3 6209 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,0,0,1,0,0|2,0,0]=3 6210 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,0,0,1,0,0|2,0,0]=3 6211 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,0,0,1,0,0|2,0,0]=3 6212 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,0,0,1,0,0|2,0,0]=3 6213 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,0,0,1,0,0|2,0,0]=3 6214 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,0,0,1,0,0|2,0,0]=3 6215 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [0,0,0,1,0,0|3,0,0]=4 6216 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,0,0,1,0,0|2,0,0]=3 6217 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,0,0,1,0,0|2,0,0]=3 6218 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,0,0,1,0,0|2,0,0]=3 6219 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 6220 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,0,0,1,0,0|3,0,0]=4 6221 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,0,0,1,0,0|2,0,0]=3 6222 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [0,0,0,1,0,0|3,0,0]=4 6223 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [0,0,0,1,0,0|3,0,0]=4 6224 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [0,0,0,1,0,0|3,0,0]=4 6225 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [0,0,0,1,0,0|3,0,0]=4 6226 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [0,0,0,1,0,0|3,0,0]=4 6227 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,0,0,1,0,0|2,0,0]=3 6228 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,0,0,1,0,0|2,0,0]=3 6229 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,0,0,1,0,0|2,0,0]=3 6230 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [0,0,0,1,0,0|3,0,0]=4 6231 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [0,0,0,1,0,0|3,0,0]=4 6232 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [0,0,0,1,0,0|3,0,0]=4 6233 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [0,0,0,1,0,0|3,0,0]=4 6234 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [0,0,0,1,0,0|3,0,0]=4 6235 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [0,0,0,1,0,0|3,0,0]=4 6236 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [0,0,0,1,0,0|3,0,0]=4 6237 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,0,0,1,0,0|2,0,0]=3 6238 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [0,0,0,1,0,0|3,0,0]=4 6239 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [0,0,0,1,0,0|3,0,0]=4 6240 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [0,0,0,1,0,0|2,0,0]=3 6241 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [0,0,0,1,0,0|2,0,0]=3 6242 B9R1.12 FCCCN1CCSC1 2230a_100011215254_100011934791 [0,0,0,1,0,0|3,0,0]=4 6243 B9R1.12 FCCCN1CCSC1 269982a_100011215254_100011934791 [0,0,0,1,0,0|3,0,0]=4 6244 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [0,0,0,1,0,0|2,0,0]=3 6245 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [0,0,0,1,0,0|2,0,0]=3 6246 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [0,0,0,1,0,0|2,0,0]=3 6247 B9R1.12 FCCNC1CCOC1 34a_100000724931_100000690089 [0,0,0,1,0,0|3,0,0]=4 6248 B9R1.12 FCCN[C@@H]1CCOC1 2230a_200015188469_100011217306 [0,0,0,1,0,0|3,0,0]=4 6249 B9R1.12 FCCN[C@H]1CCOC1 2230a_100015188467_100011217306 [0,0,0,1,0,0|3,0,0]=4 6250 B9R1.12 FCCN[C@H]1CCOC1 34a_100015188467_100011217306 [0,0,0,1,0,0|3,0,0]=4 6251 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,0,0,1,0,0|2,0,0]=3 6252 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,0,0,1,0,0|2,0,0]=3 6253 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,0,0,1,0,0|2,0,0]=3 6254 B9R1.12 FCCOC1CCSC1 7a_100011232664_100011217306 [0,0,0,1,0,0|3,0,0]=4 6255 B9R1.12 FCCO[C@H]1CCOC1 34a_100000717292_100011217306 [0,0,0,1,0,0|3,0,0]=4 6256 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [0,0,0,1,0,0|2,0,0]=3 6257 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [0,0,0,1,0,0|2,0,0]=3 6258 B9R1.12 FCCSC1CCOC1 62a_100011217306_100000690089 [0,0,0,1,0,0|3,0,0]=4 6259 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [0,0,0,1,0,0|2,0,0]=3 6260 B9R1.12 FCNCC1CCOC1 34a_100000737293_100015361967 [0,0,0,1,0,0|3,0,0]=4 6261 B9R1.12 FCNCC1OCCO1 34a_100000036311_100015361967 [0,0,0,1,0,0|3,0,0]=4 6262 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [0,0,0,1,0,0|2,0,0]=3 6263 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,0,0,1,0,0|2,0,0]=3 6264 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,0,0,1,0,0|2,0,0]=3 6265 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [0,0,0,1,0,0|2,0,0]=3 6266 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [0,0,0,1,0,0|2,0,0]=3 6267 B9R1.12 FCOCC1CCNC1 34a_100000748654_100015361967 [0,0,0,1,0,0|3,0,0]=4 6268 B9R1.12 FCOCC1CCOC1 34a_100000740260_100015361967 [0,0,0,1,0,0|3,0,0]=4 6269 B9R1.12 FCOCC1COCO1 34a_100011216627_100015361967 [0,0,0,1,0,0|3,0,0]=4 6270 B9R1.12 FCOCC1OCCO1 34a_100000087154_100015361967 [0,0,0,1,0,0|3,0,0]=4 6271 B9R1.12 FCOC[C@H]1CCCN1 34a_100000745186_100015361967 [0,0,0,1,0,0|3,0,0]=4 6272 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [0,0,0,1,0,0|2,0,0]=3 6273 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [0,0,0,1,0,0|2,0,0]=3 6274 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [0,0,0,1,0,0|2,0,0]=3 6275 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [0,0,0,1,0,0|2,0,0]=3 6276 B9R1.12 FCSCC1CCOC1 62a_100000702531_100015361967 [0,0,0,1,0,0|3,0,0]=4 6277 B9R1.12 FCSCC1CCOC1 62a_100015361967_100000702531 [0,0,0,1,0,0|3,0,0]=4 6278 B9R1.12 FCSCC1OCCO1 62a_100000755774_100015361967 [0,0,0,1,0,0|3,0,0]=4 6279 B9R1.12 FCSCC1OCCO1 62a_100015361967_100000755774 [0,0,0,1,0,0|3,0,0]=4 6280 B9R1.12 N#CCCN1CCCC1 2230a_100000188435_100011215226 [0,0,0,1,0,0|2,0,1]=4 6281 B9R1.12 N#CCCN1CCCC1 269982a_100000188435_100011215226 [0,0,0,1,0,0|2,0,1]=4 6282 B9R1.12 N#CCNC1CCCC1 2230a_100000211070_100011215382 [0,0,0,1,0,0|2,0,1]=4 6283 B9R1.12 N#CCOC1CCCC1 7a_100000210269_100011215382 [0,0,0,1,0,0|2,0,1]=4 6284 B9R1.12 N#CCSC1CCCC1 62a_100011215382_100000179811 [0,0,0,1,0,0|2,0,1]=4 6285 B9R1.12 N#CCSC1CCCC1 62a_100011217020_100011215382 [0,0,0,1,0,0|2,0,1]=4 6286 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,0,0,1,0,0|2,0,0]=3 6287 B9R1.12 NCCOC1CCOC1 34a_100000210304_100000690089 [0,0,0,1,0,0|3,0,0]=4 6288 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [0,0,0,1,0,0|1,0,2]=4 6289 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [0,0,0,1,0,0|1,0,2]=4 6290 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [0,0,0,1,0,0|1,0,2]=4 6291 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [0,0,0,1,0,0|1,0,2]=4 6292 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [0,0,0,1,0,0|2,0,1]=4 6293 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [0,0,0,1,0,0|1,0,2]=4 6294 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [0,0,0,1,0,0|1,0,2]=4 6295 B9R1.12 OCCCN1CC=CC1 269982a_100015195280_100011215043 [0,0,0,1,0,0|1,0,2]=4 6296 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [0,0,0,1,0,0|1,0,0]=2 6297 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [0,0,0,1,0,0|1,0,0]=2 6298 B9R1.12 OCCCN1CCSC1 2230a_100011215254_100000230001 [0,0,0,1,0,0|2,0,0]=3 6299 B9R1.12 OCCCN1CCSC1 269982a_100011215254_100011215043 [0,0,0,1,0,0|2,0,0]=3 6300 B9R1.12 OCCNC1CC=CC1 2230a_100015188752_100000211926 [0,0,0,1,0,0|1,0,2]=4 6301 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,0,0,1,0,0|1,0,0]=2 6302 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,0,0,1,0,0|1,0,0]=2 6303 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,0,0,1,0,0|1,0,0]=2 6304 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,0,0,1,0,0|1,0,0]=2 6305 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,0,0,1,0,0|1,0,0]=2 6306 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [0,0,0,1,0,0|2,0,0]=3 6307 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [0,0,0,1,0,0|2,0,0]=3 6308 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [0,0,0,1,0,0|2,0,0]=3 6309 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [0,0,0,1,0,0|2,0,0]=3 6310 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [0,0,0,1,0,0|2,0,0]=3 6311 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [0,0,0,1,0,0|2,0,0]=3 6312 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [0,0,0,1,0,0|2,0,0]=3 6313 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,0,0,1,0,0|1,0,0]=2 6314 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,0,0,1,0,0|1,0,0]=2 6315 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,0,0,1,0,0|2,0,0]=3 6316 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,0,0,1,0,0|2,0,0]=3 6317 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,0,0,1,0,0|2,0,0]=3 6318 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,0,0,1,0,0|1,0,0]=2 6319 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,0,0,1,0,0|1,0,0]=2 6320 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,0,0,1,0,0|2,0,0]=3 6321 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,0,0,1,0,0|2,0,0]=3 6322 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,0,0,1,0,0|2,0,0]=3 6323 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,0,0,1,0,0|2,0,0]=3 6324 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,0,0,1,0,0|2,0,0]=3 6325 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,0,0,1,0,0|2,0,0]=3 6326 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,0,0,1,0,0|2,0,0]=3 6327 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 6328 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,0,0,1,0,0|3,0,0]=4 6329 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,0,0,1,0,0|2,0,0]=3 6330 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,0,0,1,0,0|2,0,0]=3 6331 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,0,0,1,0,0|2,0,0]=3 6332 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [0,0,0,1,0,0|3,0,0]=4 6333 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [0,0,0,1,0,0|3,0,0]=4 6334 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,0,0,1,0,0|2,0,0]=3 6335 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,0,0,1,0,0|2,0,0]=3 6336 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,0,0,1,0,0|2,0,0]=3 6337 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,0,0,1,0,0|2,0,0]=3 6338 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,0,0,1,0,0|2,0,0]=3 6339 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [0,0,0,1,0,0|2,0,0]=3 6340 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [0,0,0,1,0,0|2,0,0]=3 6341 B9R1.14 CCN1CCCC1C#N 2230a_100000701862_100000210202 [0,0,0,1,0,0|2,0,1]=4 6342 B9R1.14 CCN1CCC[C@@H]1C#N 2230a_106645074975_100000210202 [0,0,0,1,0,0|2,0,1]=4 6343 B9R1.14 CCN1CCC[C@@H]1C#N 269982a_106645074975_100000204670 [0,0,0,1,0,0|2,0,1]=4 6344 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,0,0,1,0,0|1,0,0]=2 6345 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,0,0,1,0,0|1,0,0]=2 6346 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,0,0,1,0,0|1,0,0]=2 6347 B9R1.14 CO[C@@H]1CCC[C@H]1C#N 34a_100011907464_200000210301 [0,0,0,1,0,0|2,0,1]=4 6348 B9R1.14 CO[C@@H]1CCC[C@H]1C#N 7a_100011907464_200000210301 [0,0,0,1,0,0|2,0,1]=4 6349 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [0,0,0,1,0,0|2,0,0]=3 6350 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [0,0,0,1,0,0|2,0,0]=3 6351 B9R1.14 [13CH3]O[C@@H]1CCC[C@H]1C#N 34a_100011907464_200025704644 [0,0,0,1,0,0|2,0,1]=4 6352 B9R1.14 [13CH3]O[C@@H]1CCC[C@H]1C#N 7a_100011907464_200025704644 [0,0,0,1,0,0|2,0,1]=4 6353 B9R1.15 C#CC1CCCCN1C 2230a_200020621307_200000210301 [0,0,0,1,0,0|2,0,1]=4 6354 B9R1.15 C#CC1CCCCN1C 269982a_200020621307_200000210301 [0,0,0,1,0,0|2,0,1]=4 6355 B9R1.15 C#CC1CCCCN1C 34a_200020621307_200000210301 [0,0,0,1,0,0|2,0,1]=4 6356 B9R1.15 C#CC1CCCCN1[13CH3] 2230a_200020621307_200025704644 [0,0,0,1,0,0|2,0,1]=4 6357 B9R1.15 C#CC1CCCCN1[13CH3] 269982a_200020621307_200025704644 [0,0,0,1,0,0|2,0,1]=4 6358 B9R1.15 C#CC1CCCCN1[13CH3] 34a_200020621307_200025704644 [0,0,0,1,0,0|2,0,1]=4 6359 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,0,0,1,0,0|2,0,0]=3 6360 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,0,0,1,0,0|2,0,0]=3 6361 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,0,0,1,0,0|2,0,0]=3 6362 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,0,0,1,0,0|2,0,0]=3 6363 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,0,0,1,0,0|2,0,0]=3 6364 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,0,0,1,0,0|2,0,0]=3 6365 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,0,0,1,0,0|3,0,0]=4 6366 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,0,0,1,0,0|3,0,0]=4 6367 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,0,0,1,0,0|2,0,0]=3 6368 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,0,0,1,0,0|2,0,0]=3 6369 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,0,0,1,0,0|2,0,0]=3 6370 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,0,0,1,0,0|2,0,0]=3 6371 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,0,0,1,0,0|2,0,0]=3 6372 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,0,0,1,0,0|2,0,0]=3 6373 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,0,0,1,0,0|2,0,0]=3 6374 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,0,0,1,0,0|2,0,0]=3 6375 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,0,0,1,0,0|2,0,0]=3 6376 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [0,0,0,1,0,0|3,0,0]=4 6377 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [0,0,0,1,0,0|3,0,0]=4 6378 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [0,0,0,1,0,0|3,0,0]=4 6379 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,0,0,1,0,0|3,0,0]=4 6380 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,0,0,1,0,0|3,0,0]=4 6381 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,0,0,1,0,0|3,0,0]=4 6382 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,0,0,1,0,0|3,0,0]=4 6383 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,0,0,1,0,0|3,0,0]=4 6384 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,0,0,1,0,0|3,0,0]=4 6385 B9R1.15 CN1CCCCC1C#N 34a_100016989756_200000210301 [0,0,0,1,0,0|2,0,1]=4 6386 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,0,0,1,0,0|1,0,0]=2 6387 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,0,0,1,0,0|1,0,0]=2 6388 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,0,0,1,0,0|1,0,0]=2 6389 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,0,0,1,0,0|2,0,0]=3 6390 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,0,0,1,0,0|2,0,0]=3 6391 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,0,0,1,0,0|2,0,0]=3 6392 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|1,0,2]=4 6393 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|1,0,2]=4 6394 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,0,0,1,0,0|2,0,0]=3 6395 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,0,0,1,0,0|2,0,0]=3 6396 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,0,0,1,0,0|2,0,0]=3 6397 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,0,0,1,0,0|2,0,0]=3 6398 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,0,0,1,0,0|2,0,0]=3 6399 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,0,0,1,0,0|1,0,0]=2 6400 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [0,0,0,1,0,0|3,0,0]=4 6401 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,0,0,1,0,0|3,0,0]=4 6402 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,0,0,1,0,0|2,0,0]=3 6403 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,0,0,1,0,0|2,0,0]=3 6404 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,0,0,1,0,0|2,0,0]=3 6405 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [0,0,0,1,0,0|3,0,0]=4 6406 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [0,0,0,1,0,0|3,0,0]=4 6407 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,0,0,1,0,0|2,0,0]=3 6408 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|1,0,2]=4 6409 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|1,0,2]=4 6410 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,0,0,1,0,0|2,0,0]=3 6411 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,0,0,1,0,0|2,0,0]=3 6412 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,0,0,1,0,0|2,0,0]=3 6413 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,0,0,1,0,0|2,0,0]=3 6414 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,0,0,1,0,0|2,0,0]=3 6415 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,0,0,1,0,0|1,0,0]=2 6416 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,0,0,1,0,0|3,0,0]=4 6417 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,0,0,1,0,0|3,0,0]=4 6418 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,0,0,1,0,0|2,0,0]=3 6419 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,0,0,1,0,0|2,0,0]=3 6420 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200000210301 [0,0,0,1,0,0|3,0,0]=4 6421 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,0,0,1,0,0|2,0,0]=3 6422 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [0,0,0,1,0,0|3,0,0]=4 6423 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,0,0,1,0,0|3,0,0]=4 6424 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|1,0,2]=4 6425 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|1,0,2]=4 6426 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,0,0,1,0,0|2,0,0]=3 6427 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,0,0,1,0,0|2,0,0]=3 6428 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,0,0,1,0,0|1,0,0]=2 6429 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,0,0,1,0,0|1,0,0]=2 6430 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [0,0,0,1,0,0|3,0,0]=4 6431 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [0,0,0,1,0,0|3,0,0]=4 6432 B9R1.15 [13CH3]N1CCCCC1C#N 34a_100016989756_200025704644 [0,0,0,1,0,0|2,0,1]=4 6433 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,0,0,1,0,0|1,0,0]=2 6434 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,0,0,1,0,0|1,0,0]=2 6435 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,0,0,1,0,0|1,0,0]=2 6436 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,0,0,1,0,0|2,0,0]=3 6437 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,0,0,1,0,0|2,0,0]=3 6438 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,0,0,1,0,0|2,0,0]=3 6439 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,0,0,1,0,0|2,0,0]=3 6440 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,0,0,1,0,0|2,0,0]=3 6441 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,0,0,1,0,0|2,0,0]=3 6442 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [0,0,0,1,0,0|3,0,0]=4 6443 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [0,0,0,1,0,0|3,0,0]=4 6444 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,0,0,1,0,0|2,0,0]=3 6445 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|1,0,2]=4 6446 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,0,0,1,0,0|2,0,0]=3 6447 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,0,0,1,0,0|2,0,0]=3 6448 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,0,0,1,0,0|2,0,0]=3 6449 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,0,0,1,0,0|2,0,0]=3 6450 B9R1.15 [13CH3]O[C@@H]1CCNC[C@@H]1F 34a_200016994291_200025704644 [0,0,0,1,0,0|3,0,0]=4 6451 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,0,0,1,0,0|2,0,0]=3 6452 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [0,0,0,1,0,0|3,0,0]=4 6453 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,0,0,1,0,0|3,0,0]=4 6454 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|1,0,2]=4 6455 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|1,0,2]=4 6456 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,0,0,1,0,0|2,0,0]=3 6457 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,0,0,1,0,0|2,0,0]=3 6458 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,0,0,1,0,0|1,0,0]=2 6459 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,0,0,1,0,0|1,0,0]=2 6460 B9R1.16 C#CCOCC1CC1C 34a_100000744939_100000184674 [0,0,0,1,0,0|2,0,1]=4 6461 B9R1.16 C#CCOCC1CC1C 7a_100000744939_100000038162 [0,0,0,1,0,0|2,0,1]=4 6462 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [0,0,0,1,0,0|2,0,1]=4 6463 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [0,0,0,1,0,0|2,0,1]=4 6464 B9R1.16 CC1CC1COCC#N 7a_100000744939_100011215382 [0,0,0,1,0,0|2,0,1]=4 6465 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,0,0,1,0,0|1,0,2]=4 6466 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,0,0,1,0,0|1,0,2]=4 6467 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [0,0,0,1,0,0|2,0,0]=3 6468 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [0,0,0,1,0,0|2,0,0]=3 6469 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,0,0,1,0,0|1,0,0]=2 6470 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,0,0,1,0,0|1,0,0]=2 6471 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,0,0,1,0,0|2,0,0]=3 6472 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,0,0,1,0,0|2,0,0]=3 6473 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,0,0,1,0,0|2,0,0]=3 6474 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,0,0,1,0,0|2,0,0]=3 6475 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,0,0,1,0,0|2,0,0]=3 6476 B9R1.16 COCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011201679 [0,0,0,1,0,0|3,0,0]=4 6477 B9R1.16 COCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011201679 [0,0,0,1,0,0|3,0,0]=4 6478 B9R1.16 COCCN[C@@H]1C[C@H]1F 34a_100025746932_100011201679 [0,0,0,1,0,0|3,0,0]=4 6479 B9R1.16 CSCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000751147 [0,0,0,1,0,0|3,0,0]=4 6480 B9R1.16 CSCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000751147 [0,0,0,1,0,0|3,0,0]=4 6481 B9R1.16 CSCCN[C@@H]1C[C@H]1F 34a_100025746932_100000212216 [0,0,0,1,0,0|3,0,0]=4 6482 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [0,0,0,1,0,0|3,0,0]=4 6483 B9R1.16 FCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011934791 [0,0,0,1,0,0|3,0,0]=4 6484 B9R1.16 FCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011934791 [0,0,0,1,0,0|3,0,0]=4 6485 B9R1.16 FCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011934791 [0,0,0,1,0,0|3,0,0]=4 6486 B9R1.16 OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000230001 [0,0,0,1,0,0|2,0,0]=3 6487 B9R1.16 OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000230001 [0,0,0,1,0,0|2,0,0]=3 6488 B9R1.16 OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000230001 [0,0,0,1,0,0|2,0,0]=3 6489 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [0,0,0,1,0,0|2,0,0]=3 6490 B9R1.17 BrCCCOC1COC1 34a_100011217188_100009818527 [0,0,0,1,0,0|3,0,0]=4 6491 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [0,0,0,1,0,0|2,0,0]=3 6492 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [0,0,0,1,0,0|2,0,0]=3 6493 B9R1.17 BrCCOCC1COC1 34a_100000211926_100010264016 [0,0,0,1,0,0|3,0,0]=4 6494 B9R1.17 C#CCCCN1CCC1 269982a_100000754969_100011215417 [0,0,0,1,0,0|2,0,1]=4 6495 B9R1.17 C#CCCNC1CCC1 2230a_100000749019_100000688953 [0,0,0,1,0,0|2,0,1]=4 6496 B9R1.17 C#CCCNC1CCC1 34a_100000749019_100000688953 [0,0,0,1,0,0|2,0,1]=4 6497 B9R1.17 C#CCCNC1CCC1 34a_100000755551_100000749161 [0,0,0,1,0,0|2,0,1]=4 6498 B9R1.17 C#CCCOC1CCC1 34a_100000748187_100000688953 [0,0,0,1,0,0|2,0,1]=4 6499 B9R1.17 C#CCCOC1CCC1 34a_100011215631_100000749161 [0,0,0,1,0,0|2,0,1]=4 6500 B9R1.17 C#CCCSC1CCC1 62a_100000688953_100000749161 [0,0,0,1,0,0|2,0,1]=4 6501 B9R1.17 C#CCNCC1CCC1 2230a_100000738700_100000038162 [0,0,0,1,0,0|2,0,1]=4 6502 B9R1.17 C#CCNCC1CCC1 34a_100000212058_100000763275 [0,0,0,1,0,0|2,0,1]=4 6503 B9R1.17 C#CCNCC1CCC1 34a_100000738700_100000184674 [0,0,0,1,0,0|2,0,1]=4 6504 B9R1.17 C#CCNCC1CCO1 34a_100000212058_100000103362 [0,0,0,1,0,0|1,0,2]=4 6505 B9R1.17 C#CCNC[C@@H]1CCO1 2230a_100020831831_100000038162 [0,0,0,1,0,0|1,0,2]=4 6506 B9R1.17 C#CCNC[C@@H]1CCO1 34a_100020831831_100000184674 [0,0,0,1,0,0|1,0,2]=4 6507 B9R1.17 C#CCOCC1CCC1 34a_100000210247_100000763275 [0,0,0,1,0,0|2,0,1]=4 6508 B9R1.17 C#CCOCC1CCC1 34a_100000760304_100000184674 [0,0,0,1,0,0|2,0,1]=4 6509 B9R1.17 C#CCOCC1CCO1 34a_100000039022_100000184674 [0,0,0,1,0,0|1,0,2]=4 6510 B9R1.17 C#CCOCC1CCO1 34a_100000210247_100000103362 [0,0,0,1,0,0|1,0,2]=4 6511 B9R1.17 C#CCSCC1CCC1 62a_100000038162_100000763275 [0,0,0,1,0,0|2,0,1]=4 6512 B9R1.17 C#CCSCC1CCO1 62a_100000038162_100000103362 [0,0,0,1,0,0|1,0,2]=4 6513 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [0,0,0,1,0,0|2,0,1]=4 6514 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [0,0,0,1,0,0|2,0,1]=4 6515 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [0,0,0,1,0,0|2,0,1]=4 6516 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [0,0,0,1,0,0|2,0,1]=4 6517 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [0,0,0,1,0,0|2,0,1]=4 6518 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [0,0,0,1,0,0|2,0,1]=4 6519 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [0,0,0,1,0,0|2,0,1]=4 6520 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [0,0,0,1,0,0|2,0,1]=4 6521 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [0,0,0,1,0,0|2,0,1]=4 6522 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [0,0,0,1,0,0|2,0,1]=4 6523 B9R1.17 C=CCNCC1CCO1 2230a_100020586998_100000103362 [0,0,0,1,0,0|1,0,2]=4 6524 B9R1.17 C=CCNC[C@@H]1CCO1 2230a_100020831831_100000210623 [0,0,0,1,0,0|1,0,2]=4 6525 B9R1.17 C=CCNC[C@@H]1CCO1 34a_100020831831_100015514636 [0,0,0,1,0,0|1,0,2]=4 6526 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [0,0,0,1,0,0|2,0,1]=4 6527 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [0,0,0,1,0,0|2,0,1]=4 6528 B9R1.17 C=CCOCC1CCO1 34a_100000039022_100015514636 [0,0,0,1,0,0|1,0,2]=4 6529 B9R1.17 C=CCOCC1CCO1 34a_200000210373_100000103362 [0,0,0,1,0,0|1,0,2]=4 6530 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [0,0,0,1,0,0|2,0,1]=4 6531 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [0,0,0,1,0,0|2,0,1]=4 6532 B9R1.17 C=CCSCC1CCO1 62a_100000103362_100000210623 [0,0,0,1,0,0|1,0,2]=4 6533 B9R1.17 C=CCSCC1CCO1 62a_100000210623_100000103362 [0,0,0,1,0,0|1,0,2]=4 6534 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,0,0,1,0,0|2,0,0]=3 6535 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,0,0,1,0,0|2,0,0]=3 6536 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,0,0,1,0,0|2,0,0]=3 6537 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,0,0,1,0,0|2,0,0]=3 6538 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [0,0,0,1,0,0|3,0,0]=4 6539 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [0,0,0,1,0,0|3,0,0]=4 6540 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,0,0,1,0,0|2,0,0]=3 6541 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,0,0,1,0,0|2,0,0]=3 6542 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [0,0,0,1,0,0|3,0,0]=4 6543 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [0,0,0,1,0,0|3,0,0]=4 6544 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [0,0,0,1,0,0|3,0,0]=4 6545 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,0,0,1,0,0|2,0,0]=3 6546 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [0,0,0,1,0,0|3,0,0]=4 6547 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,0,0,1,0,0|2,0,0]=3 6548 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,0,0,1,0,0|2,0,0]=3 6549 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,0,0,1,0,0|2,0,0]=3 6550 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 6551 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 6552 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|1,0,0]=2 6553 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|1,0,0]=2 6554 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,0,0,1,0,0|2,0,0]=3 6555 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,0,0,1,0,0|2,0,0]=3 6556 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|1,0,0]=2 6557 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|1,0,0]=2 6558 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [0,0,0,1,0,0|3,0,0]=4 6559 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,0,0,1,0,0|3,0,0]=4 6560 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,0,0,1,0,0|3,0,0]=4 6561 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,0,0,1,0,0|2,0,0]=3 6562 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,0,0,1,0,0|2,0,0]=3 6563 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|1,0,0]=2 6564 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|1,0,0]=2 6565 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,0,0,1,0,0|3,0,0]=4 6566 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,0,0,1,0,0|3,0,0]=4 6567 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,0,0,1,0,0|3,0,0]=4 6568 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [0,0,0,1,0,0|3,0,0]=4 6569 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [0,0,0,1,0,0|3,0,0]=4 6570 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [0,0,0,1,0,0|3,0,0]=4 6571 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,0,0,1,0,0|3,0,0]=4 6572 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [0,0,0,1,0,0|3,0,0]=4 6573 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [0,0,0,1,0,0|3,0,0]=4 6574 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [0,0,0,1,0,0|3,0,0]=4 6575 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [0,0,0,1,0,0|3,0,0]=4 6576 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [0,0,0,1,0,0|3,0,0]=4 6577 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [0,0,0,1,0,0|3,0,0]=4 6578 B9R1.17 COCNCC1CCC1 2230a_100000738700_100000766300 [0,0,0,1,0,0|3,0,0]=4 6579 B9R1.17 COCNC[C@@H]1CCO1 2230a_100020831831_100000766300 [0,0,0,1,0,0|2,0,0]=3 6580 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [0,0,0,1,0,0|3,0,0]=4 6581 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [0,0,0,1,0,0|3,0,0]=4 6582 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [0,0,0,1,0,0|2,0,0]=3 6583 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [0,0,0,1,0,0|2,0,0]=3 6584 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [0,0,0,1,0,0|3,0,0]=4 6585 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [0,0,0,1,0,0|3,0,0]=4 6586 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [0,0,0,1,0,0|3,0,0]=4 6587 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [0,0,0,1,0,0|3,0,0]=4 6588 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [0,0,0,1,0,0|3,0,0]=4 6589 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [0,0,0,1,0,0|3,0,0]=4 6590 B9R1.17 CSCNCC1CCC1 2230a_100000738700_100011218213 [0,0,0,1,0,0|3,0,0]=4 6591 B9R1.17 CSCNCC1CCC1 34a_100000738700_100011218213 [0,0,0,1,0,0|3,0,0]=4 6592 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [0,0,0,1,0,0|2,0,0]=3 6593 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [0,0,0,1,0,0|2,0,0]=3 6594 B9R1.17 CSCOCC1CCC1 34a_100000760304_100011218213 [0,0,0,1,0,0|3,0,0]=4 6595 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [0,0,0,1,0,0|2,0,0]=3 6596 B9R1.17 CSCSCC1CCC1 62a_100000763275_100011218213 [0,0,0,1,0,0|3,0,0]=4 6597 B9R1.17 CSCSCC1CCC1 62a_100011218213_100000763275 [0,0,0,1,0,0|3,0,0]=4 6598 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [0,0,0,1,0,0|2,0,0]=3 6599 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [0,0,0,1,0,0|2,0,0]=3 6600 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [0,0,0,1,0,0|2,0,0]=3 6601 B9R1.17 ClCCCOC1COC1 34a_100000230001_100009818527 [0,0,0,1,0,0|3,0,0]=4 6602 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [0,0,0,1,0,0|2,0,0]=3 6603 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [0,0,0,1,0,0|2,0,0]=3 6604 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [0,0,0,1,0,0|2,0,0]=3 6605 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [0,0,0,1,0,0|2,0,0]=3 6606 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [0,0,0,1,0,0|2,0,0]=3 6607 B9R1.17 FCCCNC1COC1 2230a_100016991112_100011934791 [0,0,0,1,0,0|3,0,0]=4 6608 B9R1.17 FCCCNC1COC1 34a_100015189416_100009818527 [0,0,0,1,0,0|3,0,0]=4 6609 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [0,0,0,1,0,0|2,0,0]=3 6610 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [0,0,0,1,0,0|2,0,0]=3 6611 B9R1.17 FCCCOC1COC1 34a_100000759539_100009818527 [0,0,0,1,0,0|3,0,0]=4 6612 B9R1.17 FCCCOC1CSC1 7a_100000072292_100011934791 [0,0,0,1,0,0|3,0,0]=4 6613 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [0,0,0,1,0,0|2,0,0]=3 6614 B9R1.17 FCCCSC1COC1 62a_100011934791_100009818527 [0,0,0,1,0,0|3,0,0]=4 6615 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [0,0,0,1,0,0|2,0,0]=3 6616 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [0,0,0,1,0,0|2,0,0]=3 6617 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [0,0,0,1,0,0|2,0,0]=3 6618 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [0,0,0,1,0,0|2,0,0]=3 6619 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [0,0,0,1,0,0|2,0,0]=3 6620 B9R1.17 FCCNCC1COC1 2230a_100015281925_100011217306 [0,0,0,1,0,0|3,0,0]=4 6621 B9R1.17 FCCNCC1COC1 34a_100000724931_100010264016 [0,0,0,1,0,0|3,0,0]=4 6622 B9R1.17 FCCNCC1COC1 34a_100015281925_100011217306 [0,0,0,1,0,0|3,0,0]=4 6623 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [0,0,0,1,0,0|2,0,0]=3 6624 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [0,0,0,1,0,0|2,0,0]=3 6625 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [0,0,0,1,0,0|2,0,0]=3 6626 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [0,0,0,1,0,0|2,0,0]=3 6627 B9R1.17 FCCOCC1CNC1 34a_100016987283_100011217306 [0,0,0,1,0,0|3,0,0]=4 6628 B9R1.17 FCCOCC1COC1 34a_100000060846_100011217306 [0,0,0,1,0,0|3,0,0]=4 6629 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [0,0,0,1,0,0|2,0,0]=3 6630 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [0,0,0,1,0,0|2,0,0]=3 6631 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [0,0,0,1,0,0|2,0,0]=3 6632 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [0,0,0,1,0,0|2,0,0]=3 6633 B9R1.17 FCCSCC1COC1 62a_100010264016_100011217306 [0,0,0,1,0,0|3,0,0]=4 6634 B9R1.17 FCCSCC1COC1 62a_100011217306_100010264016 [0,0,0,1,0,0|3,0,0]=4 6635 B9R1.17 FCOCCC1COC1 34a_100009855314_100015361967 [0,0,0,1,0,0|3,0,0]=4 6636 B9R1.17 N#CCCCN1CCC1 269982a_100000754969_100000687738 [0,0,0,1,0,0|2,0,1]=4 6637 B9R1.17 N#CCCNC1CCC1 2230a_100000749019_100011215226 [0,0,0,1,0,0|2,0,1]=4 6638 B9R1.17 N#CCCNC1CCC1 270004a_100000720768_100000241760 [0,0,0,1,0,0|2,0,1]=4 6639 B9R1.17 N#CCCSC1CCC1 62a_100011215226_100000749161 [0,0,0,1,0,0|2,0,1]=4 6640 B9R1.17 N#CCNCC1CCC1 2230a_100000738700_100011215382 [0,0,0,1,0,0|2,0,1]=4 6641 B9R1.17 N#CCNC[C@@H]1CCO1 2230a_100020831831_100011215382 [0,0,0,1,0,0|2,0,1]=4 6642 B9R1.17 N#CCSCC1CCC1 62a_100000763275_100011215382 [0,0,0,1,0,0|2,0,1]=4 6643 B9R1.17 N#CCSCC1CCC1 62a_100011215382_100000763275 [0,0,0,1,0,0|2,0,1]=4 6644 B9R1.17 N#CCSCC1CCO1 62a_100000103362_100011215382 [0,0,0,1,0,0|2,0,1]=4 6645 B9R1.17 N#CCSCC1CCO1 62a_100011215382_100000103362 [0,0,0,1,0,0|2,0,1]=4 6646 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [0,0,0,1,0,0|2,0,0]=3 6647 B9R1.17 NCCCOC1COC1 34a_100000182051_100009818527 [0,0,0,1,0,0|3,0,0]=4 6648 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [0,0,0,1,0,0|2,0,0]=3 6649 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [0,0,0,1,0,0|2,0,0]=3 6650 B9R1.17 NCCOCC1COC1 34a_100000210304_100010264016 [0,0,0,1,0,0|3,0,0]=4 6651 B9R1.17 NOCCOC1CCC1 34a_100000700252_100000749161 [0,0,0,1,0,0|3,0,0]=4 6652 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [0,0,0,1,0,0|1,0,2]=4 6653 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [0,0,0,1,0,0|1,0,2]=4 6654 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [0,0,0,1,0,0|1,0,2]=4 6655 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [0,0,0,1,0,0|2,0,1]=4 6656 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [0,0,0,1,0,0|2,0,1]=4 6657 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [0,0,0,1,0,0|1,0,2]=4 6658 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [0,0,0,1,0,0|2,0,1]=4 6659 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [0,0,0,1,0,0|1,0,2]=4 6660 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [0,0,0,1,0,0|1,0,2]=4 6661 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [0,0,0,1,0,0|2,0,1]=4 6662 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [0,0,0,1,0,0|2,0,1]=4 6663 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,0,0,1,0,0|1,0,0]=2 6664 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [0,0,0,1,0,0|1,0,0]=2 6665 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [0,0,0,1,0,0|1,0,0]=2 6666 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [0,0,0,1,0,0|1,0,0]=2 6667 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [0,0,0,1,0,0|2,0,0]=3 6668 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,0,0,1,0,0|1,0,0]=2 6669 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [0,0,0,1,0,0|2,0,0]=3 6670 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [0,0,0,1,0,0|1,0,0]=2 6671 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [0,0,0,1,0,0|2,0,0]=3 6672 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [0,0,0,1,0,0|1,0,0]=2 6673 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [0,0,0,1,0,0|1,0,0]=2 6674 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [0,0,0,1,0,0|1,0,0]=2 6675 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [0,0,0,1,0,0|1,0,0]=2 6676 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [0,0,0,1,0,0|1,0,0]=2 6677 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [0,0,0,1,0,0|2,0,0]=3 6678 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [0,0,0,1,0,0|2,0,0]=3 6679 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [0,0,0,1,0,0|2,0,0]=3 6680 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [0,0,0,1,0,0|2,0,0]=3 6681 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [0,0,0,1,0,0|2,0,0]=3 6682 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [0,0,0,1,0,0|2,0,0]=3 6683 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [0,0,0,1,0,0|2,0,0]=3 6684 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [0,0,0,1,0,0|2,0,0]=3 6685 B9R1.17 OCCNN=C1CCC1 4a_100000210001_100000241760 [0,0,0,1,0,0|2,0,1]=4 6686 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [0,0,0,1,0,0|1,0,0]=2 6687 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,0,0,1,0,0|2,0,0]=3 6688 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [0,0,0,1,0,0|2,0,0]=3 6689 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [0,0,0,1,0,0|2,0,0]=3 6690 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [0,0,0,1,0,0|1,0,0]=2 6691 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [0,0,0,1,0,0|1,0,0]=2 6692 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,0,0,1,0,0|2,0,0]=3 6693 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,0,0,1,0,0|2,0,0]=3 6694 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [0,0,0,1,0,0|2,0,0]=3 6695 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [0,0,0,1,0,0|2,0,0]=3 6696 B9R1.33 C#CCN1CCC[C@@H]1C 2230a_100020605311_100000038162 [0,0,0,1,0,0|2,0,1]=4 6697 B9R1.33 C#CCN1CCC[C@H]1C 2230a_100015189458_100000038162 [0,0,0,1,0,0|2,0,1]=4 6698 B9R1.33 C#CCN1CCC[C@H]1C 34a_100015189458_100000184674 [0,0,0,1,0,0|2,0,1]=4 6699 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [0,0,0,1,0,0|2,0,1]=4 6700 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [0,0,0,1,0,0|2,0,1]=4 6701 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [0,0,0,1,0,0|2,0,1]=4 6702 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [0,0,0,1,0,0|2,0,1]=4 6703 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [0,0,0,1,0,0|2,0,1]=4 6704 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,0,0,1,0,0|2,0,0]=3 6705 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,0,0,1,0,0|2,0,0]=3 6706 B9R1.33 CC1SCCN1CCF 2230a_200011216479_100011217306 [0,0,0,1,0,0|3,0,0]=4 6707 B9R1.33 CC1SCCN1CCF 269982a_200011216479_100011217306 [0,0,0,1,0,0|3,0,0]=4 6708 B9R1.33 CC1SCCN1CCF 34a_200011216479_100011217306 [0,0,0,1,0,0|3,0,0]=4 6709 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [0,0,0,1,0,0|2,0,0]=3 6710 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [0,0,0,1,0,0|2,0,0]=3 6711 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [0,0,0,1,0,0|2,0,0]=3 6712 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,0,0,1,0,0|2,0,0]=3 6713 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,0,0,1,0,0|2,0,0]=3 6714 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,0,0,1,0,0|2,0,0]=3 6715 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,0,0,1,0,0|2,0,0]=3 6716 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,0,0,1,0,0|2,0,0]=3 6717 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [0,0,0,1,0,0|3,0,0]=4 6718 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [0,0,0,1,0,0|3,0,0]=4 6719 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [0,0,0,1,0,0|3,0,0]=4 6720 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,0,1,0,0|1,0,2]=4 6721 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,0,0,1,0,0|2,0,0]=3 6722 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [0,0,0,1,0,0|3,0,0]=4 6723 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [0,0,0,1,0,0|2,0,0]=3 6724 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,0,1,0,0|1,0,2]=4 6725 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,0,1,0,0|1,0,2]=4 6726 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,0,0,1,0,0|2,0,0]=3 6727 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,0,0,1,0,0|2,0,0]=3 6728 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [0,0,0,1,0,0|2,0,0]=3 6729 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,0,0,1,0,0|2,0,0]=3 6730 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,0,0,1,0,0|2,0,0]=3 6731 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [0,0,0,1,0,0|3,0,0]=4 6732 B9R1.33 CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210202 [0,0,0,1,0,0|3,0,0]=4 6733 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,0,1,0,0|1,0,2]=4 6734 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,0,1,0,0|1,0,2]=4 6735 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [0,0,0,1,0,0|2,0,0]=3 6736 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [0,0,0,1,0,0|2,0,0]=3 6737 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,0,0,1,0,0|1,0,0]=2 6738 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,0,0,1,0,0|1,0,0]=2 6739 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [0,0,0,1,0,0|3,0,0]=4 6740 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [0,0,0,1,0,0|3,0,0]=4 6741 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [0,0,0,1,0,0|3,0,0]=4 6742 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [0,0,0,1,0,0|3,0,0]=4 6743 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [0,0,0,1,0,0|3,0,0]=4 6744 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [0,0,0,1,0,0|3,0,0]=4 6745 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [0,0,0,1,0,0|3,0,0]=4 6746 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [0,0,0,1,0,0|3,0,0]=4 6747 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [0,0,0,1,0,0|3,0,0]=4 6748 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [0,0,0,1,0,0|3,0,0]=4 6749 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [0,0,0,1,0,0|3,0,0]=4 6750 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [0,0,0,1,0,0|3,0,0]=4 6751 B9R1.33 CSCN1CCC[C@@H]1C 2230a_100020605311_100011218213 [0,0,0,1,0,0|3,0,0]=4 6752 B9R1.33 CSCN1CCC[C@@H]1C 269982a_100020605311_100011218213 [0,0,0,1,0,0|3,0,0]=4 6753 B9R1.33 CSCN1CCC[C@H]1C 2230a_100015189458_100011218213 [0,0,0,1,0,0|3,0,0]=4 6754 B9R1.33 CSCN1CCC[C@H]1C 269982a_100015189458_100011218213 [0,0,0,1,0,0|3,0,0]=4 6755 B9R1.33 CSCN1CCC[C@H]1C 34a_100015189458_100011218213 [0,0,0,1,0,0|3,0,0]=4 6756 B9R1.33 C[C@@H]1CCCN1CC#N 2230a_100015189458_100011215382 [0,0,0,1,0,0|2,0,1]=4 6757 B9R1.33 C[C@@H]1CCCN1CC#N 269982a_100015189458_100011214920 [0,0,0,1,0,0|2,0,1]=4 6758 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [0,0,0,1,0,0|1,0,2]=4 6759 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [0,0,0,1,0,0|1,0,2]=4 6760 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [0,0,0,1,0,0|1,0,2]=4 6761 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [0,0,0,1,0,0|2,0,0]=3 6762 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [0,0,0,1,0,0|2,0,0]=3 6763 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [0,0,0,1,0,0|2,0,0]=3 6764 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,0,0,1,0,0|1,0,0]=2 6765 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,0,0,1,0,0|1,0,0]=2 6766 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,0,0,1,0,0|1,0,0]=2 6767 B9R1.33 C[C@@H]1CNC[C@@H]1OCF 34a_200015306588_100015361967 [0,0,0,1,0,0|3,0,0]=4 6768 B9R1.33 C[C@H]1CCCN1CC#N 2230a_100020605311_100011215382 [0,0,0,1,0,0|2,0,1]=4 6769 B9R1.33 C[C@H]1CCCN1CC#N 269982a_100020605311_100011214920 [0,0,0,1,0,0|2,0,1]=4 6770 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [0,0,0,1,0,0|1,0,2]=4 6771 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [0,0,0,1,0,0|1,0,2]=4 6772 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [0,0,0,1,0,0|2,0,0]=3 6773 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [0,0,0,1,0,0|2,0,0]=3 6774 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,0,0,1,0,0|1,0,0]=2 6775 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,0,0,1,0,0|1,0,0]=2 6776 B9R1.33 FCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015361967 [0,0,0,1,0,0|3,0,0]=4 6777 B9R1.33 N[C@H]1CCC[C@@H]1OCF 34a_100000748460_100015361967 [0,0,0,1,0,0|3,0,0]=4 6778 B9R1.33 OC1COCC1SCF 62a_100015361967_200000725654 [0,0,0,1,0,0|3,0,0]=4 6779 B9R1.33 OC1COCC1SCF 62a_200000725654_100015361967 [0,0,0,1,0,0|3,0,0]=4 6780 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [0,0,0,1,0,0|2,0,0]=3 6781 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [0,0,0,1,0,0|2,0,0]=3 6782 B9R1.39 C#CCCN1CCC1C 269982a_100000755817_100000730999 [0,0,0,1,0,0|2,0,1]=4 6783 B9R1.39 C#CCCN1CCC1C 34a_100000755817_100000688953 [0,0,0,1,0,0|2,0,1]=4 6784 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [0,0,0,1,0,0|2,0,1]=4 6785 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [0,0,0,1,0,0|2,0,1]=4 6786 B9R1.39 CC1CCN1CCC#N 269982a_100000755817_100011215226 [0,0,0,1,0,0|2,0,1]=4 6787 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [0,0,0,1,0,0|2,0,0]=3 6788 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [0,0,0,1,0,0|2,0,0]=3 6789 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,0,0,1,0,0|1,0,0]=2 6790 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,0,0,1,0,0|1,0,0]=2 6791 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,0,1,0,0|2,0,0]=3 6792 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,0,1,0,0|2,0,0]=3 6793 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|1,0,2]=4 6794 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|1,0,2]=4 6795 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|1,0,2]=4 6796 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [0,0,0,1,0,0|3,0,0]=4 6797 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 6798 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 6799 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [0,0,0,1,0,0|3,0,0]=4 6800 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [0,0,0,1,0,0|3,0,0]=4 6801 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,0,2]=4 6802 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,0,2]=4 6803 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 6804 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 6805 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|2,0,1]=4 6806 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|2,0,1]=4 6807 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|2,0,1]=4 6808 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,0,2]=4 6809 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,0,2]=4 6810 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 6811 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 6812 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 6813 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 6814 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 6815 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 6816 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [0,0,0,1,0,0|2,0,0]=3 6817 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [0,0,0,1,0,0|2,0,0]=3 6818 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [0,0,0,1,0,0|2,0,0]=3 6819 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [0,0,0,1,0,0|2,0,0]=3 6820 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [0,0,0,1,0,0|2,0,0]=3 6821 B9R1.83 C#CCCCNC1CC1 34a_100000212008_100000695029 [0,0,0,1,0,0|2,0,1]=4 6822 B9R1.83 C#CCCCNC1CC1 34a_100000718082_100000211595 [0,0,0,1,0,0|2,0,1]=4 6823 B9R1.83 C#CCCCOC1CC1 34a_100000215630_100000211595 [0,0,0,1,0,0|2,0,1]=4 6824 B9R1.83 C#CCCCSC1CC1 62a_100011215417_100000211595 [0,0,0,1,0,0|2,0,1]=4 6825 B9R1.83 C#CCCNCC1CC1 2230a_100000735609_100000688953 [0,0,0,1,0,0|2,0,1]=4 6826 B9R1.83 C#CCCNCC1CC1 34a_100000735609_100000688953 [0,0,0,1,0,0|2,0,1]=4 6827 B9R1.83 C#CCCNCC1CC1 34a_100000755551_100000742324 [0,0,0,1,0,0|2,0,1]=4 6828 B9R1.83 C#CCCNCC1CO1 34a_100000755551_102125554688 [0,0,0,1,0,0|1,0,2]=4 6829 B9R1.83 C#CCCOCC1CC1 34a_100000211283_100000688953 [0,0,0,1,0,0|2,0,1]=4 6830 B9R1.83 C#CCCOCC1CC1 34a_100011215631_100000742324 [0,0,0,1,0,0|2,0,1]=4 6831 B9R1.83 C#CCCOCC1CO1 34a_100011215631_102125554688 [0,0,0,1,0,0|1,0,2]=4 6832 B9R1.83 C#CCCOC[C@@H]1CO1 34a_100000757423_100000688953 [0,0,0,1,0,0|1,0,2]=4 6833 B9R1.83 C#CCCSCC1CC1 62a_100000688953_100000742324 [0,0,0,1,0,0|2,0,1]=4 6834 B9R1.83 C#CCCSCC1CC1 62a_100000756562_100000688953 [0,0,0,1,0,0|2,0,1]=4 6835 B9R1.83 C#CCCSCC1CO1 62a_100000688953_102125554688 [0,0,0,1,0,0|1,0,2]=4 6836 B9R1.83 C#CCCSCC1CO1 62a_102125554688_100000688953 [0,0,0,1,0,0|1,0,2]=4 6837 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000688953_100000745022 [0,0,0,1,0,0|1,0,2]=4 6838 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000745022_100000688953 [0,0,0,1,0,0|1,0,2]=4 6839 B9R1.83 C#CCNCCC1CC1 34a_100000212058_100000694398 [0,0,0,1,0,0|2,0,1]=4 6840 B9R1.83 C#CCNCCC1CC1 34a_100000764129_100000184674 [0,0,0,1,0,0|2,0,1]=4 6841 B9R1.83 C#CCNCCC1CO1 34a_100000212058_100000732470 [0,0,0,1,0,0|1,0,2]=4 6842 B9R1.83 C#CCOCCC1CC1 34a_100000210247_100000694398 [0,0,0,1,0,0|2,0,1]=4 6843 B9R1.83 C#CCOCCC1CC1 34a_100000754188_100000184674 [0,0,0,1,0,0|2,0,1]=4 6844 B9R1.83 C#CCOCCC1CC1 7a_100000754188_100000038162 [0,0,0,1,0,0|2,0,1]=4 6845 B9R1.83 C#CCOCCC1CO1 34a_100000210247_100000732470 [0,0,0,1,0,0|1,0,2]=4 6846 B9R1.83 C#CCOCC[C@@H]1CO1 34a_100009820653_100000184674 [0,0,0,1,0,0|1,0,2]=4 6847 B9R1.83 C#CCSCCC1CC1 62a_100000038162_100000764125 [0,0,0,1,0,0|2,0,1]=4 6848 B9R1.83 C#CCSCCC1CO1 62a_100000038162_100000732470 [0,0,0,1,0,0|1,0,2]=4 6849 B9R1.83 C/C=C/COCC1CO1 34a_100016270725_102125554688 [0,0,0,1,0,0|1,0,2]=4 6850 B9R1.83 C/C=C/COC[C@@H]1CO1 34a_100000757423_100102629194 [0,0,0,1,0,0|1,0,2]=4 6851 B9R1.83 C/C=C/CSCC1CO1 62a_100102629194_102125554688 [0,0,0,1,0,0|1,0,2]=4 6852 B9R1.83 C/C=C/CSCC1CO1 62a_102125554688_100102629194 [0,0,0,1,0,0|1,0,2]=4 6853 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100000745022_100102629194 [0,0,0,1,0,0|1,0,2]=4 6854 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100102629194_100000745022 [0,0,0,1,0,0|1,0,2]=4 6855 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [0,0,0,1,0,0|2,0,1]=4 6856 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [0,0,0,1,0,0|2,0,1]=4 6857 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [0,0,0,1,0,0|2,0,1]=4 6858 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [0,0,0,1,0,0|2,0,1]=4 6859 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [0,0,0,1,0,0|2,0,1]=4 6860 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [0,0,0,1,0,0|2,0,1]=4 6861 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [0,0,0,1,0,0|2,0,1]=4 6862 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [0,0,0,1,0,0|2,0,1]=4 6863 B9R1.83 C=CCCNCC1CO1 2230a_100015191253_100011216344 [0,0,0,1,0,0|1,0,2]=4 6864 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [0,0,0,1,0,0|2,0,1]=4 6865 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [0,0,0,1,0,0|2,0,1]=4 6866 B9R1.83 C=CCCOCC1CO1 34a_100011205117_102125554688 [0,0,0,1,0,0|1,0,2]=4 6867 B9R1.83 C=CCCOC[C@@H]1CO1 34a_100000757423_100000754431 [0,0,0,1,0,0|1,0,2]=4 6868 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [0,0,0,1,0,0|2,0,1]=4 6869 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [0,0,0,1,0,0|2,0,1]=4 6870 B9R1.83 C=CCCSCC1CO1 62a_100000754431_102125554688 [0,0,0,1,0,0|1,0,2]=4 6871 B9R1.83 C=CCCSCC1CO1 62a_102125554688_100000754431 [0,0,0,1,0,0|1,0,2]=4 6872 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000745022_100000754431 [0,0,0,1,0,0|1,0,2]=4 6873 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000754431_100000745022 [0,0,0,1,0,0|1,0,2]=4 6874 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [0,0,0,1,0,0|2,0,1]=4 6875 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [0,0,0,1,0,0|2,0,1]=4 6876 B9R1.83 C=CCNCCC1CO1 2230a_100020586998_100000732470 [0,0,0,1,0,0|1,0,2]=4 6877 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [0,0,0,1,0,0|2,0,1]=4 6878 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [0,0,0,1,0,0|2,0,1]=4 6879 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [0,0,0,1,0,0|2,0,1]=4 6880 B9R1.83 C=CCOCCC1CO1 34a_200000210373_100000732470 [0,0,0,1,0,0|1,0,2]=4 6881 B9R1.83 C=CCOCC[C@@H]1CO1 34a_100009820653_100015514636 [0,0,0,1,0,0|1,0,2]=4 6882 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [0,0,0,1,0,0|2,0,1]=4 6883 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [0,0,0,1,0,0|2,0,1]=4 6884 B9R1.83 C=CCSCCC1CO1 62a_100000210623_100000732470 [0,0,0,1,0,0|1,0,2]=4 6885 B9R1.83 C=CCSCCC1CO1 62a_100000732470_100000210623 [0,0,0,1,0,0|1,0,2]=4 6886 B9R1.83 CC#CCNCC1CO1 2230a_100000685387_100011216344 [0,0,0,1,0,0|1,0,2]=4 6887 B9R1.83 CC#CCNCC1CO1 34a_100000685387_102125554688 [0,0,0,1,0,0|1,0,2]=4 6888 B9R1.83 CC#CCOCC1CO1 34a_100000761923_102125554688 [0,0,0,1,0,0|1,0,2]=4 6889 B9R1.83 CC#CCOC[C@@H]1CO1 34a_100000757423_100000748600 [0,0,0,1,0,0|1,0,2]=4 6890 B9R1.83 CC#CCSCC1CO1 62a_100000748600_102125554688 [0,0,0,1,0,0|1,0,2]=4 6891 B9R1.83 CC#CCSCC1CO1 62a_102125554688_100000748600 [0,0,0,1,0,0|1,0,2]=4 6892 B9R1.83 CC#CCSC[C@@H]1CO1 62a_100000745022_100000748600 [0,0,0,1,0,0|1,0,2]=4 6893 B9R1.83 CC#CCSC[C@@H]1CO1 62a_100000748600_100000745022 [0,0,0,1,0,0|1,0,2]=4 6894 B9R1.83 CC=CCOC[C@@H]1CO1 34a_100000757423_100000070051 [0,0,0,1,0,0|1,0,2]=4 6895 B9R1.83 CC=CCSCC1CO1 62a_100000070051_102125554688 [0,0,0,1,0,0|1,0,2]=4 6896 B9R1.83 CC=CCSCC1CO1 62a_102125554688_100000070051 [0,0,0,1,0,0|1,0,2]=4 6897 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000070051_100000745022 [0,0,0,1,0,0|1,0,2]=4 6898 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000745022_100000070051 [0,0,0,1,0,0|1,0,2]=4 6899 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [0,0,0,1,0,0|2,0,0]=3 6900 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,0,0,1,0,0|2,0,0]=3 6901 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [0,0,0,1,0,0|2,0,0]=3 6902 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [0,0,0,1,0,0|2,0,0]=3 6903 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [0,0,0,1,0,0|2,0,0]=3 6904 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [0,0,0,1,0,0|2,0,0]=3 6905 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [0,0,0,1,0,0|2,0,0]=3 6906 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [0,0,0,1,0,0|2,0,0]=3 6907 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,0,0,1,0,0|1,0,0]=2 6908 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,0,0,1,0,0|1,0,0]=2 6909 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [0,0,0,1,0,0|1,1,0]=3 6910 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,0,0,1,0,0|1,0,0]=2 6911 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [0,0,0,1,0,0|2,0,0]=3 6912 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [0,0,0,1,0,0|2,0,0]=3 6913 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [0,0,0,1,0,0|2,0,0]=3 6914 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,0,0,1,0,0|1,0,0]=2 6915 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,0,0,1,0,0|1,0,0]=2 6916 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [0,0,0,1,0,0|1,1,0]=3 6917 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,0,0,1,0,0|1,0,0]=2 6918 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,0,0,1,0,0|1,0,0]=2 6919 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [0,0,0,1,0,0|2,0,0]=3 6920 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [0,0,0,1,0,0|2,0,0]=3 6921 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,0,0,1,0,0|1,0,0]=2 6922 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,0,0,1,0,0|1,0,0]=2 6923 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [0,0,0,1,0,0|1,1,0]=3 6924 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [0,0,0,1,0,0|1,1,0]=3 6925 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,0,0,1,0,0|1,0,0]=2 6926 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,0,0,1,0,0|1,0,0]=2 6927 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [0,0,0,1,0,0|2,0,0]=3 6928 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,0,0,1,0,0|2,0,0]=3 6929 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,0,0,1,0,0|2,0,0]=3 6930 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,0,0,1,0,0|2,0,0]=3 6931 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,0,0,1,0,0|1,0,0]=2 6932 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,0,0,1,0,0|1,0,0]=2 6933 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [0,0,0,1,0,0|2,0,0]=3 6934 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [0,0,0,1,0,0|2,0,0]=3 6935 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,0,0,1,0,0|1,0,0]=2 6936 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,0,0,1,0,0|1,0,0]=2 6937 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,0,0,1,0,0|1,0,0]=2 6938 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|1,0,0]=2 6939 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [0,0,0,1,0,0|3,0,0]=4 6940 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [0,0,0,1,0,0|3,0,0]=4 6941 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [0,0,0,1,0,0|3,0,0]=4 6942 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [0,0,0,1,0,0|3,0,0]=4 6943 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [0,0,0,1,0,0|3,0,0]=4 6944 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [0,0,0,1,0,0|3,0,0]=4 6945 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [0,0,0,1,0,0|3,0,0]=4 6946 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [0,0,0,1,0,0|2,0,0]=3 6947 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [0,0,0,1,0,0|2,0,0]=3 6948 B9R1.83 CCOCSCC1CS1 62a_100000031435_100000739092 [0,0,0,1,0,0|2,1,0]=4 6949 B9R1.83 CCOCSCC1CS1 62a_100000739092_100000031435 [0,0,0,1,0,0|2,1,0]=4 6950 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [0,0,0,1,0,0|2,0,0]=3 6951 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [0,0,0,1,0,0|2,0,0]=3 6952 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,0,0,1,0,0|1,0,0]=2 6953 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,0,0,1,0,0|1,0,0]=2 6954 B9R1.83 CCSCCNC1CC1 34a_100000212008_100000757381 [0,0,0,1,0,0|3,0,0]=4 6955 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [0,0,0,1,0,0|3,0,0]=4 6956 B9R1.83 CCSCCSC1CC1 62a_100000757381_100000211595 [0,0,0,1,0,0|3,0,0]=4 6957 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [0,0,0,1,0,0|3,0,0]=4 6958 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [0,0,0,1,0,0|3,0,0]=4 6959 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [0,0,0,1,0,0|3,0,0]=4 6960 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [0,0,0,1,0,0|3,0,0]=4 6961 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [0,0,0,1,0,0|3,0,0]=4 6962 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [0,0,0,1,0,0|3,0,0]=4 6963 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [0,0,0,1,0,0|3,0,0]=4 6964 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [0,0,0,1,0,0|3,0,0]=4 6965 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [0,0,0,1,0,0|3,0,0]=4 6966 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [0,0,0,1,0,0|2,0,0]=3 6967 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [0,0,0,1,0,0|3,0,0]=4 6968 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [0,0,0,1,0,0|3,0,0]=4 6969 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [0,0,0,1,0,0|2,0,0]=3 6970 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [0,0,0,1,0,0|2,0,0]=3 6971 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [0,0,0,1,0,0|3,0,0]=4 6972 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [0,0,0,1,0,0|3,0,0]=4 6973 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [0,0,0,1,0,0|2,0,0]=3 6974 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [0,0,0,1,0,0|2,0,0]=3 6975 B9R1.83 COCCSCC1CS1 62a_100000031435_100000233755 [0,0,0,1,0,0|2,1,0]=4 6976 B9R1.83 COCCSCC1CS1 62a_100000233755_100000031435 [0,0,0,1,0,0|2,1,0]=4 6977 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [0,0,0,1,0,0|2,0,0]=3 6978 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [0,0,0,1,0,0|2,0,0]=3 6979 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [0,0,0,1,0,0|3,0,0]=4 6980 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [0,0,0,1,0,0|3,0,0]=4 6981 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [0,0,0,1,0,0|2,0,0]=3 6982 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [0,0,0,1,0,0|2,0,0]=3 6983 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [0,0,0,1,0,0|3,0,0]=4 6984 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [0,0,0,1,0,0|3,0,0]=4 6985 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [0,0,0,1,0,0|3,0,0]=4 6986 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [0,0,0,1,0,0|3,0,0]=4 6987 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [0,0,0,1,0,0|3,0,0]=4 6988 B9R1.83 CSCCNCC1CO1 2230a_100020590264_100011216344 [0,0,0,1,0,0|2,0,0]=3 6989 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [0,0,0,1,0,0|3,0,0]=4 6990 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [0,0,0,1,0,0|3,0,0]=4 6991 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [0,0,0,1,0,0|3,0,0]=4 6992 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [0,0,0,1,0,0|2,0,0]=3 6993 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [0,0,0,1,0,0|2,0,0]=3 6994 B9R1.83 CSCCOCC1CS1 7a_100000230434_100000031435 [0,0,0,1,0,0|2,1,0]=4 6995 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [0,0,0,1,0,0|2,0,0]=3 6996 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [0,0,0,1,0,0|2,0,0]=3 6997 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [0,0,0,1,0,0|3,0,0]=4 6998 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [0,0,0,1,0,0|3,0,0]=4 6999 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [0,0,0,1,0,0|2,0,0]=3 7000 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [0,0,0,1,0,0|2,0,0]=3 7001 B9R1.83 CSCCSCC1CS1 62a_100000031435_100000751147 [0,0,0,1,0,0|2,1,0]=4 7002 B9R1.83 CSCCSCC1CS1 62a_100000212216_100000031435 [0,0,0,1,0,0|2,1,0]=4 7003 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [0,0,0,1,0,0|2,0,0]=3 7004 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [0,0,0,1,0,0|2,0,0]=3 7005 B9R1.83 CSCNCCC1CC1 34a_100000764129_100011218213 [0,0,0,1,0,0|3,0,0]=4 7006 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [0,0,0,1,0,0|3,0,0]=4 7007 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [0,0,0,1,0,0|2,0,0]=3 7008 B9R1.83 CSCSCCC1CC1 62a_100000764125_100011218213 [0,0,0,1,0,0|3,0,0]=4 7009 B9R1.83 CSCSCCC1CC1 62a_100011218213_100000764125 [0,0,0,1,0,0|3,0,0]=4 7010 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [0,0,0,1,0,0|2,0,0]=3 7011 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [0,0,0,1,0,0|2,0,0]=3 7012 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [0,0,0,1,0,0|2,0,0]=3 7013 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [0,0,0,1,0,0|2,0,0]=3 7014 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [0,0,0,1,0,0|2,0,0]=3 7015 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [0,0,0,1,0,0|2,0,0]=3 7016 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [0,0,0,1,0,0|2,0,0]=3 7017 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [0,0,0,1,0,0|2,0,0]=3 7018 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [0,0,0,1,0,0|2,0,0]=3 7019 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [0,0,0,1,0,0|2,0,0]=3 7020 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [0,0,0,1,0,0|2,0,0]=3 7021 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [0,0,0,1,0,0|2,0,0]=3 7022 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [0,0,0,1,0,0|2,0,0]=3 7023 B9R1.83 FCCCNCC1CO1 2230a_100015189416_100011216344 [0,0,0,1,0,0|2,0,0]=3 7024 B9R1.83 FCCCNCC1CO1 34a_100015189416_102125554688 [0,0,0,1,0,0|2,0,0]=3 7025 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [0,0,0,1,0,0|2,0,0]=3 7026 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [0,0,0,1,0,0|2,0,0]=3 7027 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [0,0,0,1,0,0|2,0,0]=3 7028 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [0,0,0,1,0,0|2,0,0]=3 7029 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [0,0,0,1,0,0|2,0,0]=3 7030 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [0,0,0,1,0,0|2,0,0]=3 7031 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [0,0,0,1,0,0|2,0,0]=3 7032 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [0,0,0,1,0,0|2,0,0]=3 7033 B9R1.83 FCCCSCC1CS1 62a_100000031435_100011934791 [0,0,0,1,0,0|2,1,0]=4 7034 B9R1.83 FCCCSCC1CS1 62a_100011934791_100000031435 [0,0,0,1,0,0|2,1,0]=4 7035 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [0,0,0,1,0,0|2,0,0]=3 7036 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [0,0,0,1,0,0|2,0,0]=3 7037 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [0,0,0,1,0,0|2,0,0]=3 7038 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [0,0,0,1,0,0|2,0,0]=3 7039 B9R1.83 FCCNCCC1CO1 34a_100000724931_100000732470 [0,0,0,1,0,0|2,0,0]=3 7040 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [0,0,0,1,0,0|2,0,0]=3 7041 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [0,0,0,1,0,0|2,0,0]=3 7042 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [0,0,0,1,0,0|2,0,0]=3 7043 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [0,0,0,1,0,0|2,0,0]=3 7044 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [0,0,0,1,0,0|2,0,0]=3 7045 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [0,0,0,1,0,0|2,0,0]=3 7046 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [0,0,0,1,0,0|2,0,0]=3 7047 B9R1.83 FCOCCNC1CC1 34a_100000738766_100015361967 [0,0,0,1,0,0|3,0,0]=4 7048 B9R1.83 FCSCCCC1CO1 62a_100000733510_100015361967 [0,0,0,1,0,0|2,0,0]=3 7049 B9R1.83 FCSCCCC1CO1 62a_100015361967_100000733510 [0,0,0,1,0,0|2,0,0]=3 7050 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [0,0,0,1,0,0|2,0,0]=3 7051 B9R1.83 N#CCCCSC1CC1 62a_100000687738_100000211595 [0,0,0,1,0,0|2,0,1]=4 7052 B9R1.83 N#CCCNCC1CC1 2230a_100000735609_100011215226 [0,0,0,1,0,0|2,0,1]=4 7053 B9R1.83 N#CCCSCC1CC1 62a_100000756562_100011215226 [0,0,0,1,0,0|2,0,1]=4 7054 B9R1.83 N#CCCSCC1CC1 62a_100011215226_100000742324 [0,0,0,1,0,0|2,0,1]=4 7055 B9R1.83 N#CCCSCC1CO1 62a_100011215226_102125554688 [0,0,0,1,0,0|2,0,1]=4 7056 B9R1.83 N#CCCSCC1CO1 62a_102125554688_100011215226 [0,0,0,1,0,0|2,0,1]=4 7057 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100000745022_100011215226 [0,0,0,1,0,0|2,0,1]=4 7058 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100011215226_100000745022 [0,0,0,1,0,0|2,0,1]=4 7059 B9R1.83 N#CCOCCC1CC1 7a_100000754188_100011215382 [0,0,0,1,0,0|2,0,1]=4 7060 B9R1.83 N#CCSCCC1CC1 62a_100000764125_100011215382 [0,0,0,1,0,0|2,0,1]=4 7061 B9R1.83 N#CCSCCC1CC1 62a_100011215382_100000764125 [0,0,0,1,0,0|2,0,1]=4 7062 B9R1.83 N#CCSCCC1CO1 62a_100000732470_100011215382 [0,0,0,1,0,0|2,0,1]=4 7063 B9R1.83 N#CCSCCC1CO1 62a_100011215382_100000732470 [0,0,0,1,0,0|2,0,1]=4 7064 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [0,0,0,1,0,0|2,0,0]=3 7065 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [0,0,0,1,0,0|2,0,0]=3 7066 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [0,0,0,1,0,0|2,0,0]=3 7067 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [0,0,0,1,0,0|2,0,0]=3 7068 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [0,0,0,1,0,0|2,0,0]=3 7069 B9R1.83 NOCCOCC1CC1 34a_100000700252_100000742324 [0,0,0,1,0,0|3,0,0]=4 7070 B9R1.83 NOCCOCC1CO1 34a_100000700252_102125554688 [0,0,0,1,0,0|3,0,0]=4 7071 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,0,0,1,0,0|1,0,2]=4 7072 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [0,0,0,1,0,0|1,0,2]=4 7073 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,0,0,1,0,0|1,0,2]=4 7074 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,0,0,1,0,0|1,0,2]=4 7075 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [0,0,0,1,0,0|2,0,1]=4 7076 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,0,0,1,0,0|1,0,2]=4 7077 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,0,0,1,0,0|1,0,2]=4 7078 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [0,0,0,1,0,0|2,0,1]=4 7079 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [0,0,0,1,0,0|2,0,1]=4 7080 B9R1.83 OCC#CCNC1CC1 34a_100000212008_200000047223 [0,0,0,1,0,0|1,0,2]=4 7081 B9R1.83 OCC#CCSC1CC1 62a_200000047223_100000211595 [0,0,0,1,0,0|1,0,2]=4 7082 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [0,0,0,1,0,0|1,0,0]=2 7083 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [0,0,0,1,0,0|1,0,0]=2 7084 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [0,0,0,1,0,0|1,0,0]=2 7085 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [0,0,0,1,0,0|1,0,0]=2 7086 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [0,0,0,1,0,0|1,0,0]=2 7087 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [0,0,0,1,0,0|1,0,0]=2 7088 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [0,0,0,1,0,0|1,0,0]=2 7089 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [0,0,0,1,0,0|2,0,0]=3 7090 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [0,0,0,1,0,0|1,0,0]=2 7091 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [0,0,0,1,0,0|1,0,0]=2 7092 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [0,0,0,1,0,0|2,0,0]=3 7093 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [0,0,0,1,0,0|2,0,0]=3 7094 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [0,0,0,1,0,0|2,0,0]=3 7095 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [0,0,0,1,0,0|2,0,0]=3 7096 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [0,0,0,1,0,0|2,0,0]=3 7097 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [0,0,0,1,0,0|2,0,0]=3 7098 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [0,0,0,1,0,0|1,0,0]=2 7099 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [0,0,0,1,0,0|1,0,0]=2 7100 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [0,0,0,1,0,0|1,0,0]=2 7101 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [0,0,0,1,0,0|2,0,0]=3 7102 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [0,0,0,1,0,0|2,0,0]=3 7103 B9R1.83 OCCNN=CC1CC1 4a_100000210001_100000741477 [0,0,0,1,0,0|2,0,1]=4 7104 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [0,0,0,1,0,0|1,0,0]=2 7105 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [0,0,0,1,0,0|1,0,0]=2 7106 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [0,0,0,1,0,0|2,0,0]=3 7107 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [0,0,0,1,0,0|1,0,0]=2 7108 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [0,0,0,1,0,0|1,0,0]=2 7109 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [0,0,0,1,0,0|2,0,0]=3 7110 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [0,0,0,1,0,0|2,0,0]=3 7111 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,0,1,0,0|2,0,0]=3 7112 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,0,1,0,0|2,0,0]=3 7113 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,0,1,0,0|2,0,0]=3 7114 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,0,0,1,0,0|3,0,0]=4 7115 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,0,0,1,0,0|3,0,0]=4 7116 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,0,0,1,0,0|3,0,0]=4 7117 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|2,0,0]=3 7118 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|2,0,0]=3 7119 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|2,0,0]=3 7120 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|2,0,0]=3 7121 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [0,0,0,1,0,0|3,0,0]=4 7122 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 7123 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|2,0,0]=3 7124 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 7125 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|2,0,0]=3 7126 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|2,0,0]=3 7127 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,0,0,1,0,0|2,0,0]=3 7128 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,0,0,1,0,0|2,0,0]=3 7129 B9R1.89 FCN1CCCOCC1 269982a_100000685342_100015361967 [0,0,0,1,0,0|3,0,0]=4 7130 B9R1.89 FCN1CCCOCC1 34a_100000685342_100015361967 [0,0,0,1,0,0|3,0,0]=4 7131 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|2,0,0]=3 7132 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|2,0,0]=3 7133 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 7134 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 7135 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|2,0,0]=3 7136 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|2,0,0]=3 7137 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 7138 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 7139 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 7140 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 7141 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 7142 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 7143 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 7144 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 7145 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 7146 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 7147 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,0]=3 7148 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,0]=3 7149 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,0]=3 7150 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,0]=3 7151 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,0]=3 7152 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,0]=3 7153 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,0]=3 7154 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 7155 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 7156 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 7157 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 7158 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 7159 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 7160 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,0]=3 7161 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,0]=3 7162 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 7163 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 7164 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 7165 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 7166 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 7167 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 7168 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,0]=3 7169 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 7170 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 7171 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 7172 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|2,0,0]=4 7173 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,0]=3 7174 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 7175 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 7176 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,0]=3 7177 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 7178 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 7179 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 7180 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|2,0,0]=4 7181 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|2,0,0]=4 7182 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 7183 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 7184 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 7185 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,0]=3 7186 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 7187 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 7188 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 7189 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 7190 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 7191 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 7192 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 7193 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 7194 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 7195 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,0]=3 7196 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 7197 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 7198 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 7199 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 7200 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 7201 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 7202 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 7203 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 7204 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 7205 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 7206 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 7207 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 7208 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 7209 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 7210 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 7211 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 7212 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 7213 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 7214 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 7215 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 7216 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 7217 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 7218 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 7219 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 7220 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 7221 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,0]=3 7222 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,0]=3 7223 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 7224 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 7225 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 7226 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 7227 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 7228 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 7229 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 7230 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 7231 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 7232 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 7233 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 7234 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 7235 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 7236 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 7237 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 7238 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 7239 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 7240 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 7241 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 7242 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 7243 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 7244 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 7245 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 7246 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 7247 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 7248 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 7249 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 7250 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 7251 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|2,0,0]=4 7252 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|2,0,0]=4 7253 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 7254 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 7255 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|2,0,0]=4 7256 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 7257 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 7258 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 7259 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 7260 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 7261 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 7262 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 7263 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 7264 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 7265 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|2,0,0]=4 7266 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|2,0,0]=4 7267 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|2,0,0]=4 7268 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|2,0,0]=4 7269 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 7270 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|2,0,0]=4 7271 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|2,0,0]=4 7272 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 7273 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|2,0,0]=4 7274 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|2,0,0]=4 7275 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 7276 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 7277 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 7278 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 7279 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 7280 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 7281 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,0]=3 7282 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|2,0,0]=4 7283 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 7284 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 7285 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|2,0,0]=4 7286 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|2,0,0]=4 7287 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 7288 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|2,0,0]=4 7289 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 7290 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 7291 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 7292 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 7293 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 7294 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 7295 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 7296 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 7297 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 7298 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 7299 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 7300 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 7301 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 7302 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 7303 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 7304 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 7305 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 7306 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 7307 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 7308 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 7309 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 7310 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 7311 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 7312 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 7313 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,0]=3 7314 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [1,1,0,0,0,0|2,0,0]=4 7315 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [1,1,0,0,0,0|2,0,0]=4 7316 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [1,1,0,0,0,0|2,0,0]=4 7317 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [1,1,0,0,0,0|2,0,0]=4 7318 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [1,1,0,0,0,0|2,0,0]=4 7319 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [1,1,0,0,0,0|2,0,0]=4 7320 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [1,1,0,0,0,0|2,0,0]=4 7321 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [1,1,0,0,0,0|2,0,0]=4 7322 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [1,1,0,0,0,0|2,0,0]=4 7323 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [1,1,0,0,0,0|2,0,0]=4 7324 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,1]=4 7325 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|0,0,1]=3 7326 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,1]=4 7327 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,1]=4 7328 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 7329 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 7330 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,1]=4 7331 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|1,0,1]=4 7332 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|1,0,1]=4 7333 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|1,0,1]=4 7334 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|1,0,1]=4 7335 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|1,0,1]=4 7336 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|1,0,1]=4 7337 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 7338 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 7339 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 7340 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 7341 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,0]=3 7342 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,0]=3 7343 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 7344 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,0]=3 7345 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 7346 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 7347 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 7348 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|1,0,0]=3 7349 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|1,0,0]=3 7350 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [1,1,0,0,0,0|2,0,0]=4 7351 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [1,1,0,0,0,0|2,0,0]=4 7352 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [1,1,0,0,0,0|2,0,0]=4 7353 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [1,1,0,0,0,0|2,0,0]=4 7354 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|1,0,0]=3 7355 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|1,0,0]=3 7356 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|1,0,0]=3 7357 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|1,0,0]=3 7358 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,1,0,0,0,0|2,0,0]=4 7359 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [1,1,0,0,0,0|2,0,0]=4 7360 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,1,0,0,0,0|2,0,0]=4 7361 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 7362 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 7363 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,1,0,0,0,0|2,0,0]=4 7364 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,0]=3 7365 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,0]=3 7366 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,1,0,0,0,0|2,0,0]=4 7367 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [1,1,0,0,0,0|2,0,0]=4 7368 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [1,1,0,0,0,0|2,0,0]=4 7369 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,1,0,0,0,0|1,0,0]=3 7370 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,1,0,0,0,0|1,0,0]=3 7371 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,1,0,0,0,0|2,0,0]=4 7372 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,1,0,0,0,0|2,0,0]=4 7373 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [1,1,0,0,0,0|2,0,0]=4 7374 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [1,1,0,0,0,0|2,0,0]=4 7375 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,1]=3 7376 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,1]=3 7377 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|1,0,1]=4 7378 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,1]=3 7379 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,1]=3 7380 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 7381 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|1,0,1]=4 7382 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 7383 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 7384 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 7385 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 7386 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 7387 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 7388 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 7389 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,0]=3 7390 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,0]=3 7391 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,0]=3 7392 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 7393 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,0]=3 7394 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 7395 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 7396 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 7397 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,0]=3 7398 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,0]=3 7399 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [1,1,0,0,0,0|2,0,0]=4 7400 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [1,1,0,0,0,0|2,0,0]=4 7401 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|1,0,0]=3 7402 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|1,0,0]=3 7403 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|1,0,0]=3 7404 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|1,0,0]=3 7405 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|1,0,0]=3 7406 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|1,0,0]=3 7407 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 7408 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 7409 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|1,0,0]=3 7410 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|1,0,0]=3 7411 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|1,0,0]=3 7412 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|1,0,0]=3 7413 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|1,0,0]=3 7414 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|1,0,0]=3 7415 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 7416 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 7417 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 7418 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 7419 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|1,0,0]=3 7420 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|1,0,0]=3 7421 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|1,0,0]=3 7422 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|1,0,0]=3 7423 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,0]=3 7424 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,0]=3 7425 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 7426 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 7427 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [1,1,0,0,0,0|1,0,0]=3 7428 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [1,1,0,0,0,0|1,0,0]=3 7429 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [1,1,0,0,0,0|1,0,0]=3 7430 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [1,1,0,0,0,0|1,0,0]=3 7431 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 7432 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,1,0,0,0,0|2,0,0]=4 7433 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 7434 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 7435 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,1,0,0,0,0|2,0,0]=4 7436 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 7437 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 7438 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [1,1,0,0,0,0|2,0,0]=4 7439 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 7440 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [1,1,0,0,0,0|2,0,0]=4 7441 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,1,0,0,0,0|2,0,0]=4 7442 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 7443 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 7444 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 7445 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 7446 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 7447 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 7448 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,1]=4 7449 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|1,0,0]=3 7450 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|1,0,0]=3 7451 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|2,0,0]=4 7452 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [1,1,0,0,0,0|2,0,0]=4 7453 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|1,0,0]=3 7454 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,0]=3 7455 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|2,0,0]=4 7456 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,1,0,0,0,0|2,0,0]=4 7457 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,0]=3 7458 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 7459 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 7460 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|1,0,0]=3 7461 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 7462 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 7463 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 7464 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 7465 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|2,0,0]=4 7466 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|2,0,0]=4 7467 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|1,0,0]=3 7468 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|1,0,0]=3 7469 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|1,0,0]=3 7470 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|1,0,0]=3 7471 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|2,0,0]=4 7472 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|2,0,0]=4 7473 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,0]=3 7474 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,0]=3 7475 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,0]=3 7476 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [1,1,0,0,0,0|2,0,0]=4 7477 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|2,0,0]=4 7478 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [1,1,0,0,0,0|2,0,0]=4 7479 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [1,1,0,0,0,0|2,0,0]=4 7480 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 7481 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 7482 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 7483 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 7484 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|1,0,1]=4 7485 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [1,1,0,0,0,0|2,0,0]=4 7486 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 7487 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 7488 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|2,0,0]=4 7489 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 7490 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 7491 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 7492 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 7493 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|2,0,0]=4 7494 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [1,1,0,0,0,0|2,0,0]=4 7495 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|1,0,1]=4 7496 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|2,0,0]=4 7497 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|2,0,0]=4 7498 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 7499 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 7500 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [1,1,0,0,0,0|2,0,0]=4 7501 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [1,1,0,0,0,0|2,0,0]=4 7502 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [1,1,0,0,0,0|2,0,0]=4 7503 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [1,1,0,0,0,0|2,0,0]=4 7504 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [1,1,0,0,0,0|2,0,0]=4 7505 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [1,1,0,0,0,0|2,0,0]=4 7506 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [1,1,0,0,0,0|2,0,0]=4 7507 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [1,1,0,0,0,0|2,0,0]=4 7508 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|1,0,0]=3 7509 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,0]=3 7510 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,1]=4 7511 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [1,1,0,0,0,0|2,0,0]=4 7512 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [1,1,0,0,0,0|2,0,0]=4 7513 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [1,1,0,0,0,0|2,0,0]=4 7514 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [1,1,0,0,0,0|2,0,0]=4 7515 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [1,1,0,0,0,0|2,0,0]=4 7516 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,1]=4 7517 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,1]=4 7518 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [1,1,0,0,0,0|2,0,0]=4 7519 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [1,1,0,0,0,0|2,0,0]=4 7520 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [1,1,0,0,0,0|2,0,0]=4 7521 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [1,1,0,0,0,0|2,0,0]=4 7522 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [1,1,0,0,0,0|2,0,0]=4 7523 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [1,1,0,0,0,0|2,0,0]=4 7524 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [1,1,0,0,0,0|2,0,0]=4 7525 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [1,1,0,0,0,0|2,0,0]=4 7526 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [1,1,0,0,0,0|2,0,0]=4 7527 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [1,1,0,0,0,0|2,0,0]=4 7528 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [1,1,0,0,0,0|2,0,0]=4 7529 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|2,0,0]=4 7530 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|1,0,1]=4 7531 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [1,1,0,0,0,0|2,0,0]=4 7532 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,0,1]=4 7533 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,0,1]=4 7534 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [1,1,0,0,0,0|2,0,0]=4 7535 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [1,1,0,0,0,0|2,0,0]=4 7536 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [1,1,0,0,0,0|2,0,0]=4 7537 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [1,1,0,0,0,0|2,0,0]=4 7538 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|2,0,0]=4 7539 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 7540 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 7541 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [1,1,0,0,0,0|2,0,0]=4 7542 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [1,1,0,0,0,0|2,0,0]=4 7543 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [1,1,0,0,0,0|2,0,0]=4 7544 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [1,1,0,0,0,0|2,0,0]=4 7545 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|1,0,0]=3 7546 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,0]=3 7547 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 7548 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 7549 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [1,1,0,0,0,0|2,0,0]=4 7550 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|2,0,0]=4 7551 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,1]=4 7552 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,1]=4 7553 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [1,1,0,0,0,0|2,0,0]=4 7554 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [1,1,0,0,0,0|2,0,0]=4 7555 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [1,1,0,0,0,0|2,0,0]=4 7556 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [1,1,0,0,0,0|2,0,0]=4 7557 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|2,0,0]=4 7558 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|2,0,0]=4 7559 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [1,1,0,0,0,0|2,0,0]=4 7560 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [1,1,0,0,0,0|2,0,0]=4 7561 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|2,0,0]=4 7562 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [1,1,0,0,0,0|2,0,0]=4 7563 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [1,1,0,0,0,0|2,0,0]=4 7564 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,1,0,0,0,0|2,0,0]=4 7565 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,1,0,0,0,0|2,0,0]=4 7566 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,1,0,0,0,0|2,0,0]=4 7567 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,1,0,0,0,0|2,0,0]=4 7568 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [1,1,0,0,0,0|2,0,0]=4 7569 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,1,0,0,0,0|2,0,0]=4 7570 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|1,0,1]=4 7571 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,1]=3 7572 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,1]=3 7573 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,1]=4 7574 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,1]=4 7575 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 7576 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,1]=4 7577 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,1]=4 7578 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,1,0,0,0,0|1,0,1]=4 7579 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,1,0,0,0,0|1,0,1]=4 7580 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 7581 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 7582 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,0]=3 7583 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,0]=3 7584 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|2,0,0]=4 7585 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [1,1,0,0,0,0|2,0,0]=4 7586 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [1,1,0,0,0,0|2,0,0]=4 7587 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,0]=3 7588 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,0]=3 7589 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,0]=3 7590 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,0]=3 7591 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [1,1,0,0,0,0|2,0,0]=4 7592 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [1,1,0,0,0,0|2,0,0]=4 7593 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [1,1,0,0,0,0|2,0,0]=4 7594 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,1,0,0,0,0|2,0,0]=4 7595 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [1,1,0,0,0,0|2,0,0]=4 7596 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [1,1,0,0,0,0|2,0,0]=4 7597 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,0,0]=3 7598 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,0,0]=3 7599 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [1,1,0,0,0,0|2,0,0]=4 7600 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [1,1,0,0,0,0|2,0,0]=4 7601 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [1,1,0,0,0,0|2,0,0]=4 7602 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [1,1,0,0,0,0|2,0,0]=4 7603 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [1,1,0,0,0,0|2,0,0]=4 7604 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [1,1,0,0,0,0|2,0,0]=4 7605 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [1,1,0,0,0,0|2,0,0]=4 7606 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,0]=3 7607 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [1,1,0,0,0,0|2,0,0]=4 7608 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [1,1,0,0,0,0|2,0,0]=4 7609 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [1,1,0,0,0,0|2,0,0]=4 7610 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [1,1,0,0,0,0|2,0,0]=4 7611 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,1,0,0,0,0|2,0,0]=4 7612 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,1,0,0,0,0|2,0,0]=4 7613 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,1,0,0,0,0|2,0,0]=4 7614 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,1,0,0,0,0|2,0,0]=4 7615 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,1,0,0,0,0|2,0,0]=4 7616 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,0]=3 7617 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,1,0,0,0,0|2,0,0]=4 7618 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,1,0,0,0,0|2,0,0]=4 7619 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,1,0,0,0,0|2,0,0]=4 7620 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,1,0,0,0,0|2,0,0]=4 7621 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,1,0,0,0,0|2,0,0]=4 7622 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [1,1,0,0,0,0|2,0,0]=4 7623 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [1,1,0,0,0,0|2,0,0]=4 7624 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,0]=3 7625 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,0]=3 7626 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [1,1,0,0,0,0|2,0,0]=4 7627 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [1,1,0,0,0,0|2,0,0]=4 7628 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [1,1,0,0,0,0|2,0,0]=4 7629 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [1,1,0,0,0,0|2,0,0]=4 7630 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [1,1,0,0,0,0|2,0,0]=4 7631 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [1,1,0,0,0,0|2,0,0]=4 7632 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|1,0,0]=3 7633 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|1,0,0]=3 7634 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|1,0,0]=3 7635 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [1,1,0,0,0,0|2,0,0]=4 7636 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [1,1,0,0,0,0|2,0,0]=4 7637 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,1,0,0,0,0|2,0,0]=4 7638 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,1,0,0,0,0|2,0,0]=4 7639 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [1,1,0,0,0,0|2,0,0]=4 7640 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [1,1,0,0,0,0|2,0,0]=4 7641 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,1,0,0,0,0|1,0,0]=3 7642 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,1,0,0,0,0|1,0,0]=3 7643 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [1,1,0,0,0,0|2,0,0]=4 7644 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [1,1,0,0,0,0|2,0,0]=4 7645 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [1,1,0,0,0,0|2,0,0]=4 7646 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [1,1,0,0,0,0|2,0,0]=4 7647 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,1]=3 7648 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,1]=3 7649 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,1]=4 7650 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|0,0,1]=3 7651 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 7652 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7653 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7654 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7655 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,0]=3 7656 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,0]=3 7657 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,0]=3 7658 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,0]=3 7659 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,0]=3 7660 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,0]=3 7661 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 7662 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,0]=3 7663 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 7664 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 7665 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 7666 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,0]=3 7667 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,0]=3 7668 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,0]=3 7669 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,0]=3 7670 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,1,0,0,0,0|1,0,0]=3 7671 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,1,0,0,0,0|1,0,0]=3 7672 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,1,0,0,0,0|1,0,0]=3 7673 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,1,0,0,0,0|1,0,0]=3 7674 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,1,0,0,0,0|2,0,0]=4 7675 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7676 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7677 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7678 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7679 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 7680 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 7681 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,0]=3 7682 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,0]=3 7683 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,0]=3 7684 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|1,0,0]=3 7685 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|1,0,0]=3 7686 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|1,0,0]=3 7687 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,0]=3 7688 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,0]=3 7689 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,0]=3 7690 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|2,0,0]=4 7691 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|2,0,0]=4 7692 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|2,0,0]=4 7693 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,0]=3 7694 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,0]=3 7695 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,0]=3 7696 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,0]=3 7697 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,0,0]=3 7698 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,1,0,0,0,0|2,0,0]=4 7699 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,1,0,0,0,0|2,0,0]=4 7700 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,0,0]=3 7701 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,0,0]=3 7702 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,0]=3 7703 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,0]=3 7704 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,0]=3 7705 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|1,0,0]=3 7706 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|2,0,0]=4 7707 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,0]=3 7708 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|1,0,0]=3 7709 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|1,0,1]=4 7710 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|1,0,1]=4 7711 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|1,0,0]=3 7712 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|2,0,0]=4 7713 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|2,0,0]=4 7714 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [1,1,0,0,0,0|2,0,0]=4 7715 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|1,0,0]=3 7716 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,0]=3 7717 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|1,0,0]=3 7718 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|1,0,0]=3 7719 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,0]=3 7720 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,1,0,0,0,0|2,0,0]=4 7721 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,0]=3 7722 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [1,1,0,0,0,0|2,0,0]=4 7723 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|1,0,1]=4 7724 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|1,0,1]=4 7725 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|1,0,1]=4 7726 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|1,0,0]=3 7727 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|1,0,0]=3 7728 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,1,0,0,0,0|2,0,0]=4 7729 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|1,0,0]=3 7730 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|1,0,0]=3 7731 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|1,0,0]=3 7732 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|1,0,0]=3 7733 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|1,0,0]=3 7734 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|1,0,0]=3 7735 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|1,0,0]=3 7736 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|1,0,0]=3 7737 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [1,1,0,0,0,0|2,0,0]=4 7738 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [1,1,0,0,0,0|2,0,0]=4 7739 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|1,0,0]=3 7740 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|1,0,0]=3 7741 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 7742 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 7743 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|1,0,0]=3 7744 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|1,0,0]=3 7745 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|1,0,0]=3 7746 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|1,0,0]=3 7747 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|1,0,0]=3 7748 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|1,0,0]=3 7749 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 7750 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 7751 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,1,0,0,0,0|2,0,0]=4 7752 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 7753 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,1,0,0,0,0|2,0,0]=4 7754 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 7755 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,1,0,0,0,0|2,0,0]=4 7756 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,1,0,0,0,0|2,0,0]=4 7757 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|1,0,0]=3 7758 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|1,0,0]=3 7759 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,0]=3 7760 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,0]=3 7761 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,0]=3 7762 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|1,0,1]=4 7763 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|1,0,1]=4 7764 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|1,0,1]=4 7765 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,0]=3 7766 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|2,0,0]=4 7767 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|2,0,0]=4 7768 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,1,0,0,0,0|2,0,0]=4 7769 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,1,0,0,0,0|2,0,0]=4 7770 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [1,1,0,0,0,0|2,0,0]=4 7771 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [1,1,0,0,0,0|2,0,0]=4 7772 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,1,0,0,0,0|2,0,0]=4 7773 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,1,0,0,0,0|2,0,0]=4 7774 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,1,0,0,0,0|2,0,0]=4 7775 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|1,0,1]=4 7776 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|1,0,1]=4 7777 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|1,0,1]=4 7778 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [1,1,0,0,0,0|2,0,0]=4 7779 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [1,1,0,0,0,0|2,0,0]=4 7780 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [1,1,0,0,0,0|2,0,0]=4 7781 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,0]=3 7782 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,0]=3 7783 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [1,1,0,0,0,0|2,0,0]=4 7784 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [1,1,0,0,0,0|2,0,0]=4 7785 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,1,0,0,0,0|2,0,0]=4 7786 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,0]=3 7787 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [1,1,0,0,0,0|2,0,0]=4 7788 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [1,1,0,0,0,0|2,0,0]=4 7789 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,0,0]=3 7790 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,0,0]=3 7791 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [1,1,0,0,0,0|2,0,0]=4 7792 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [1,1,0,0,0,0|2,0,0]=4 7793 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [1,1,0,0,0,0|2,0,0]=4 7794 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [1,1,0,0,0,0|2,0,0]=4 7795 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [1,1,0,0,0,0|2,0,0]=4 7796 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|1,0,1]=4 7797 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|2,0,0]=4 7798 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [1,1,0,0,0,0|2,0,0]=4 7799 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [1,1,0,0,0,0|2,0,0]=4 7800 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [1,1,0,0,0,0|2,0,0]=4 7801 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,1]=4 7802 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 7803 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 7804 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 7805 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 7806 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 7807 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [1,1,0,0,0,0|2,0,0]=4 7808 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [1,1,0,0,0,0|2,0,0]=4 7809 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [1,1,0,0,0,0|2,0,0]=4 7810 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [1,1,0,0,0,0|2,0,0]=4 7811 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [1,1,0,0,0,0|2,0,0]=4 7812 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [1,1,0,0,0,0|2,0,0]=4 7813 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [1,1,0,0,0,0|2,0,0]=4 7814 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [1,1,0,0,0,0|2,0,0]=4 7815 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [1,1,0,0,0,0|2,0,0]=4 7816 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [1,1,0,0,0,0|2,0,0]=4 7817 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [1,1,0,0,0,0|2,0,0]=4 7818 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [1,1,0,0,0,0|2,0,0]=4 7819 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [1,1,0,0,0,0|2,0,0]=4 7820 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [1,1,0,0,0,0|2,0,0]=4 7821 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [1,1,0,0,0,0|2,0,0]=4 7822 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [1,1,0,0,0,0|2,0,0]=4 7823 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [1,1,0,0,0,0|2,0,0]=4 7824 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [1,1,0,0,0,0|2,0,0]=4 7825 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [1,1,0,0,0,0|2,0,0]=4 7826 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [1,1,0,0,0,0|2,0,0]=4 7827 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [1,1,0,0,0,0|2,0,0]=4 7828 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [1,1,0,0,0,0|2,0,0]=4 7829 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [1,1,0,0,0,0|2,0,0]=4 7830 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [1,1,0,0,0,0|2,0,0]=4 7831 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [1,1,0,0,0,0|2,0,0]=4 7832 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [1,1,0,0,0,0|2,0,0]=4 7833 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [1,1,0,0,0,0|2,0,0]=4 7834 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [1,1,0,0,0,0|2,0,0]=4 7835 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [1,1,0,0,0,0|2,0,0]=4 7836 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [1,1,0,0,0,0|2,0,0]=4 7837 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 7838 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [1,1,0,0,0,0|2,0,0]=4 7839 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,1,0,0,0,0|2,0,0]=4 7840 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,1,0,0,0,0|2,0,0]=4 7841 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,1,0,0,0,0|2,0,0]=4 7842 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,1,0,0,0,0|2,0,0]=4 7843 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [1,1,0,0,0,0|2,0,0]=4 7844 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [1,1,0,0,0,0|2,0,0]=4 7845 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,1,0,0,0,0|2,0,0]=4 7846 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,1,0,0,0,0|2,0,0]=4 7847 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [1,1,0,0,0,0|2,0,0]=4 7848 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,1,0,0,0,0|2,0,0]=4 7849 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [1,1,0,0,0,0|2,0,0]=4 7850 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [1,1,0,0,0,0|2,0,0]=4 7851 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,1,0,0,0,0|2,0,0]=4 7852 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,1,0,0,0,0|2,0,0]=4 7853 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,1,0,0,0,0|2,0,0]=4 7854 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,1,0,0,0,0|2,0,0]=4 7855 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [1,1,0,0,0,0|2,0,0]=4 7856 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|1,0,1]=4 7857 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,1]=4 7858 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 7859 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [1,1,0,0,0,0|2,0,0]=4 7860 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [1,1,0,0,0,0|2,0,0]=4 7861 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [1,1,0,0,0,0|2,0,0]=4 7862 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [1,1,0,0,0,0|2,0,0]=4 7863 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,1,0,0,0,0|2,0,0]=4 7864 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,1,0,0,0,0|2,0,0]=4 7865 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,1,0,0,0,0|2,0,0]=4 7866 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [1,1,0,0,0,0|2,0,0]=4 7867 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [1,1,0,0,0,0|2,0,0]=4 7868 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,1,0,0,0,0|2,0,0]=4 7869 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,1,0,0,0,0|2,0,0]=4 7870 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,1,0,0,0,0|2,0,0]=4 7871 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [1,1,0,0,0,0|2,0,0]=4 7872 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,1,0,0,0,0|2,0,0]=4 7873 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,1,0,0,0,0|2,0,0]=4 7874 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [1,1,0,0,0,0|2,0,0]=4 7875 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [1,1,0,0,0,0|2,0,0]=4 7876 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,1,0,0,0,0|2,0,0]=4 7877 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,1,0,0,0,0|2,0,0]=4 7878 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [1,1,0,0,0,0|2,0,0]=4 7879 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [1,1,0,0,0,0|2,0,0]=4 7880 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [1,1,0,0,0,0|2,0,0]=4 7881 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [1,1,0,0,0,0|2,0,0]=4 7882 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [1,1,0,0,0,0|2,0,0]=4 7883 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [1,1,0,0,0,0|2,0,0]=4 7884 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,1,0,0,0,0|1,0,1]=4 7885 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,1,0,0,0,0|1,0,1]=4 7886 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,1]=4 7887 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,1]=4 7888 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,1,0,0,0,0|1,0,1]=4 7889 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,0,1]=4 7890 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,0,1]=4 7891 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,1,0,0,0,0|1,0,1]=4 7892 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,1,0,0,0,0|1,0,1]=4 7893 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,1]=4 7894 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,1]=4 7895 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 7896 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 7897 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 7898 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,1,0,0,0,0|1,0,1]=4 7899 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,1]=4 7900 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,1]=4 7901 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,1,0,0,0,0|1,0,1]=4 7902 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,1,0,0,0,0|1,0,1]=4 7903 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,1]=4 7904 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|0,0,1]=3 7905 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|0,0,1]=3 7906 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 7907 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 7908 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|1,0,1]=4 7909 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|1,0,1]=4 7910 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|1,0,1]=4 7911 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|1,0,1]=4 7912 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|1,0,1]=4 7913 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|1,0,1]=4 7914 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|1,0,1]=4 7915 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|1,0,1]=4 7916 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|1,0,1]=4 7917 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|2,0,0]=4 7918 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,0]=3 7919 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,1,0,0,0,0|2,0,0]=4 7920 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,1,0,0,0,0|1,0,0]=3 7921 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,0]=3 7922 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,0]=3 7923 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,0]=3 7924 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,0]=3 7925 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|2,0,0]=4 7926 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 7927 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 7928 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|2,0,0]=4 7929 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|2,0,0]=4 7930 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,1,0,0,0,0|2,0,0]=4 7931 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,1,0,0,0,0|2,0,0]=4 7932 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|1,0,0]=3 7933 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|1,0,0]=3 7934 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|1,0,0]=3 7935 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|2,0,0]=4 7936 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 7937 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 7938 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|2,0,0]=4 7939 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|1,0,0]=3 7940 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|1,0,0]=3 7941 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,1,0,0,0,0|2,0,0]=4 7942 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,1,0,0,0,0|2,0,0]=4 7943 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|1,0,0]=3 7944 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|1,0,0]=3 7945 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 7946 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,1,0,0,0,0|2,0,0]=4 7947 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,1,0,0,0,0|2,0,0]=4 7948 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 7949 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,1,0,0,0,0|2,0,0]=4 7950 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|1,0,0]=3 7951 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|1,0,0]=3 7952 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|1,0,0]=3 7953 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|2,0,0]=4 7954 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|2,0,0]=4 7955 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|2,0,0]=4 7956 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|2,0,0]=4 7957 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|2,0,0]=4 7958 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|2,0,0]=4 7959 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|1,0,0]=3 7960 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 7961 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 7962 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,1,0,0,0,0|2,0,0]=4 7963 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,1,0,0,0,0|2,0,0]=4 7964 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|1,0,0]=3 7965 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|1,0,0]=3 7966 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 7967 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 7968 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 7969 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 7970 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|1,0,0]=3 7971 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|1,0,0]=3 7972 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,0]=3 7973 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|1,0,0]=3 7974 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|2,0,0]=4 7975 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|2,0,0]=4 7976 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 7977 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 7978 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|2,0,0]=4 7979 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 7980 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 7981 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|2,0,0]=4 7982 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 7983 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|1,0,0]=3 7984 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 7985 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 7986 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [1,1,0,0,0,0|2,0,0]=4 7987 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [1,1,0,0,0,0|2,0,0]=4 7988 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [1,1,0,0,0,0|2,0,0]=4 7989 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [1,1,0,0,0,0|2,0,0]=4 7990 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,1,0,0,0,0|2,0,0]=4 7991 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,1,0,0,0,0|2,0,0]=4 7992 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|1,0,0]=3 7993 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|1,0,0]=3 7994 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,1,0,0,0,0|2,0,0]=4 7995 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,1,0,0,0,0|1,0,0]=3 7996 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,1,0,0,0,0|2,0,0]=4 7997 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,1,0,0,0,0|2,0,0]=4 7998 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,1,0,0,0,0|2,0,0]=4 7999 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,1,0,0,0,0|2,0,0]=4 8000 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|1,0,0]=3 8001 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|1,0,0]=3 8002 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|1,0,0]=3 8003 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|2,0,0]=4 8004 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|2,0,0]=4 8005 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,1,0,0,0,0|2,0,0]=4 8006 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,1,0,0,0,0|2,0,0]=4 8007 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,0,0]=3 8008 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,0,0]=3 8009 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 8010 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 8011 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 8012 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 8013 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|1,0,0]=3 8014 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,0]=3 8015 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,1,0,0,0,0|2,0,0]=4 8016 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,1,0,0,0,0|2,0,0]=4 8017 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,1,0,0,0,0|2,0,0]=4 8018 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,1,0,0,0,0|2,0,0]=4 8019 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,1,0,0,0,0|2,0,0]=4 8020 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,1,0,0,0,0|2,0,0]=4 8021 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|1,0,0]=3 8022 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|1,0,0]=3 8023 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,1]=3 8024 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,1]=3 8025 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,1]=3 8026 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,0]=3 8027 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,0]=3 8028 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,0]=3 8029 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,0]=3 8030 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,0]=3 8031 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,0]=3 8032 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 8033 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 8034 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 8035 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 8036 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,0]=3 8037 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,0]=3 8038 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,0]=3 8039 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,0]=3 8040 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,0]=3 8041 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,0]=3 8042 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,0]=3 8043 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,0]=3 8044 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,1]=4 8045 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,0]=3 8046 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,0]=3 8047 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,0]=3 8048 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,0]=3 8049 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,0]=3 8050 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,0]=3 8051 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,0]=3 8052 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,0]=3 8053 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,0]=3 8054 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [1,1,0,0,0,0|2,0,0]=4 8055 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [1,1,0,0,0,0|2,0,0]=4 8056 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [1,1,0,0,0,0|2,0,0]=4 8057 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,0]=3 8058 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,0]=3 8059 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 8060 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 8061 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 8062 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 8063 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|1,0,0]=3 8064 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,0]=3 8065 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,0]=3 8066 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,0]=3 8067 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|1,0,0]=3 8068 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,0]=3 8069 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,0]=3 8070 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 8071 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,1,0,0,0,0|2,0,0]=4 8072 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 8073 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 8074 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 8075 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|1,0,0]=3 8076 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|1,0,0]=3 8077 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,0]=3 8078 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,0]=3 8079 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 8080 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 8081 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,0,0]=3 8082 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,0,0]=3 8083 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,0]=3 8084 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,0]=3 8085 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [1,1,0,0,0,0|2,0,0]=4 8086 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [1,1,0,0,0,0|2,0,0]=4 8087 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,0]=3 8088 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,0]=3 8089 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,0]=3 8090 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,0]=3 8091 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,1]=4 8092 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 8093 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 8094 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,0]=3 8095 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|1,0,0]=3 8096 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|1,0,0]=3 8097 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|1,0,0]=3 8098 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,0]=3 8099 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,1,0,0,0,0|2,0,0]=4 8100 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|2,0,0]=4 8101 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|2,0,0]=4 8102 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,0]=3 8103 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|2,0,0]=4 8104 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,1]=4 8105 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,1]=4 8106 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|1,0,0]=3 8107 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|1,0,0]=3 8108 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,0]=3 8109 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,0]=3 8110 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,1,0,0,0,0|2,0,0]=4 8111 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,1,0,0,0,0|2,0,0]=4 8112 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,1,0,0,0,0|2,0,0]=4 8113 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,0]=3 8114 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,0]=3 8115 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,0]=3 8116 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,0]=3 8117 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 8118 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,1,0,0,0,0|2,0,0]=4 8119 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,1,0,0,0,0|2,0,0]=4 8120 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,1,0,0,0,0|2,0,0]=4 8121 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,1,0,0,0,0|2,0,0]=4 8122 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,1,0,0,0,0|2,0,0]=4 8123 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,1,0,0,0,0|2,0,0]=4 8124 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,1]=4 8125 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 8126 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,1]=4 8127 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 8128 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,0]=3 8129 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,0]=3 8130 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,0]=3 8131 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,0]=3 8132 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|2,0,0]=4 8133 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|2,0,0]=4 8134 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|2,0,0]=4 8135 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|2,0,0]=4 8136 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|2,0,0]=4 8137 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|2,0,0]=4 8138 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|2,0,0]=4 8139 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|2,0,0]=4 8140 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|2,0,0]=4 8141 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|2,0,0]=4 8142 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|2,0,0]=4 8143 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|2,0,0]=4 8144 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|2,0,0]=4 8145 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|2,0,0]=4 8146 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|2,0,0]=4 8147 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|2,0,0]=4 8148 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|2,0,0]=4 8149 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|2,0,0]=4 8150 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,1,0,0,0,0|2,0,0]=4 8151 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,1,0,0,0,0|2,0,0]=4 8152 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,1,0,0,0,0|2,0,0]=4 8153 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,1,0,0,0,0|2,0,0]=4 8154 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,1,0,0,0,0|2,0,0]=4 8155 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,1,0,0,0,0|2,0,0]=4 8156 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,1]=4 8157 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,1]=4 8158 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|1,0,0]=3 8159 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|1,0,0]=3 8160 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,0]=3 8161 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,0]=3 8162 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,1,0,0,0,0|2,0,0]=4 8163 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,1,0,0,0,0|2,0,0]=4 8164 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,1,0,0,0,0|2,0,0]=4 8165 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,1,0,0,0,0|2,0,0]=4 8166 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,1,0,0,0,0|2,0,0]=4 8167 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,1,0,0,0,0|2,0,0]=4 8168 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,1,0,0,0,0|2,0,0]=4 8169 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,1,0,0,0,0|2,0,0]=4 8170 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,1,0,0,0,0|2,0,0]=4 8171 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,1,0,0,0,0|2,0,0]=4 8172 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,1,0,0,0,0|2,0,0]=4 8173 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,1,0,0,0,0|2,0,0]=4 8174 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,1,0,0,0,0|2,0,0]=4 8175 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,1,0,0,0,0|2,0,0]=4 8176 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,1,0,0,0,0|2,0,0]=4 8177 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|1,0,0]=3 8178 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|1,0,0]=3 8179 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|1,0,0]=3 8180 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|1,0,0]=3 8181 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,1,0,0,0,0|2,0,0]=4 8182 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [1,1,0,0,0,0|2,0,0]=4 8183 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [1,1,0,0,0,0|2,0,0]=4 8184 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [1,1,0,0,0,0|2,0,0]=4 8185 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [1,1,0,0,0,0|2,0,0]=4 8186 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [1,1,0,0,0,0|2,0,0]=4 8187 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|1,0,0]=3 8188 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|1,0,0]=3 8189 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [1,1,0,0,0,0|2,0,0]=4 8190 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [1,1,0,0,0,0|2,0,0]=4 8191 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,1,0,0,0,0|2,0,0]=4 8192 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,1,0,0,0,0|2,0,0]=4 8193 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,1,0,0,0,0|2,0,0]=4 8194 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 8195 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 8196 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,0]=3 8197 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,0]=3 8198 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,0]=3 8199 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 8200 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|2,0,0]=4 8201 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 8202 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,1,0,0,0,0|2,0,0]=4 8203 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,1]=4 8204 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,1]=4 8205 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,0]=3 8206 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,0]=3 8207 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,0]=3 8208 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|2,0,0]=4 8209 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|2,0,0]=4 8210 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 8211 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|2,0,0]=4 8212 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 8213 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|2,0,0]=4 8214 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|2,0,0]=4 8215 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|2,0,0]=4 8216 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|2,0,0]=4 8217 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|2,0,0]=4 8218 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|2,0,0]=4 8219 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 8220 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|2,0,0]=4 8221 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 8222 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|2,0,0]=4 8223 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|2,0,0]=4 8224 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|2,0,0]=4 8225 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|2,0,0]=4 8226 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|2,0,0]=4 8227 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,1,0,0,0,0|2,0,0]=4 8228 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|2,0,0]=4 8229 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|2,0,0]=4 8230 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 8231 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 8232 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,1,0,0,0,0|2,0,0]=4 8233 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|2,0,0]=4 8234 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,1,0,0,0,0|2,0,0]=4 8235 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,1,0,0,0,0|2,0,0]=4 8236 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|2,0,0]=4 8237 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 8238 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|2,0,0]=4 8239 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|2,0,0]=4 8240 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 8241 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|2,0,0]=4 8242 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|2,0,0]=4 8243 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|2,0,0]=4 8244 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|2,0,0]=4 8245 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,1,0,0,0,0|2,0,0]=4 8246 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|2,0,0]=4 8247 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|2,0,0]=4 8248 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,1,0,0,0,0|2,0,0]=4 8249 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,1,0,0,0,0|2,0,0]=4 8250 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,1,0,0,0,0|2,0,0]=4 8251 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,1,0,0,0,0|2,0,0]=4 8252 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 8253 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 8254 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,0]=3 8255 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,0]=3 8256 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,1,0,0,0,0|2,0,0]=4 8257 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|2,0,0]=4 8258 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 8259 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 8260 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|2,0,0]=4 8261 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|2,0,0]=4 8262 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|2,0,0]=4 8263 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|2,0,0]=4 8264 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,1,0,0,0,0|2,0,0]=4 8265 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,1,0,0,0,0|2,0,0]=4 8266 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,1,0,0,0,0|2,0,0]=4 8267 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,1,0,0,0,0|2,0,0]=4 8268 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,1,0,0,0,0|2,0,0]=4 8269 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|2,0,0]=4 8270 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|2,0,0]=4 8271 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|2,0,0]=4 8272 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,1,0,0,0,0|2,0,0]=4 8273 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 8274 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 8275 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,1,0,0,0,0|2,0,0]=4 8276 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,1,0,0,0,0|2,0,0]=4 8277 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 8278 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 8279 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|2,0,0]=4 8280 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|2,0,0]=4 8281 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,1,0,0,0,0|2,0,0]=4 8282 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,1,0,0,0,0|2,0,0]=4 8283 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,1,0,0,0,0|2,0,0]=4 8284 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,1,0,0,0,0|2,0,0]=4 8285 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [1,1,0,0,0,0|2,0,0]=4 8286 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,1,0,0,0,0|2,0,0]=4 8287 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|2,0,0]=4 8288 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,1,0,0,0,0|2,0,0]=4 8289 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,1,0,0,0,0|2,0,0]=4 8290 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,1,0,0,0,0|2,0,0]=4 8291 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [1,1,0,0,0,0|2,0,0]=4 8292 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [1,1,0,0,0,0|2,0,0]=4 8293 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,1,0,0,0,0|2,0,0]=4 8294 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,1,0,0,0,0|1,0,0]=3 8295 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 8296 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,0]=3 8297 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,1,0,0,0,0|2,0,0]=4 8298 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,1,0,0,0,0|1,0,0]=3 8299 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 8300 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 8301 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,1,0,0,0,0|2,0,0]=4 8302 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,1,0,0,0,0|2,0,0]=4 8303 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,1,0,0,0,0|2,0,0]=4 8304 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,1,0,0,0,0|2,0,0]=4 8305 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,1,0,0,0,0|2,0,0]=4 8306 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,1,0,0,0,0|2,0,0]=4 8307 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|1,0,0]=3 8308 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|1,0,0]=3 8309 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [1,1,0,0,0,0|2,0,0]=4 8310 B8R0.7 OCCCOCC(F)F 34a_100000743014_100000230001 [1,1,0,0,0,0|2,0,0]=4 8311 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [1,1,0,0,0,0|2,0,0]=4 8312 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [1,1,0,0,0,0|2,0,0]=4 8313 B8R0.7 OCCOCCC(F)F 34a_100103093639_100000211926 [1,1,0,0,0,0|2,0,0]=4 8314 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|0,0,1]=3 8315 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|1,0,1]=4 8316 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,1,0,0,0,0|2,0,0]=4 8317 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,1,0,0,0,0|2,0,0]=4 8318 B10R0.3 C=C(C)CCN[C@H](C)CCO 2230a_100000706166_100000730704 [0,2,0,0,0,0|1,0,1]=4 8319 B10R0.3 C=C(C)CCN[C@H](C)CCO 34a_100000706166_100000730704 [0,2,0,0,0,0|1,0,1]=4 8320 B10R0.3 C=C(C)CCOC(C)CCO 34a_100000764851_100009893172 [0,2,0,0,0,0|1,0,1]=4 8321 B10R0.3 C=C(C)CCSC(C)CCO 62a_100000730704_100009893172 [0,2,0,0,0,0|1,0,1]=4 8322 B10R0.3 C=C(C)CCSC(C)CCO 62a_100009893172_100000730704 [0,2,0,0,0,0|1,0,1]=4 8323 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|0,0,2]=4 8324 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,2,0,0,0,0|1,0,1]=4 8325 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,2,0,0,0,0|1,0,1]=4 8326 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,2,0,0,0,0|1,0,1]=4 8327 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,2,0,0,0,0|1,0,1]=4 8328 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,2,0,0,0,0|1,0,1]=4 8329 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,2,0,0,0,0|1,0,0]=3 8330 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|1,0,1]=4 8331 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|0,0,1]=3 8332 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|0,0,1]=3 8333 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,2,0,0,0,0|1,0,0]=3 8336 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,2,0,0,0,0|1,0,0]=3 8337 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,2,0,0,0,0|1,0,1]=4 8338 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,2,0,0,0,0|1,0,0]=3 8339 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,2,0,0,0,0|1,0,0]=3 8340 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,2,0,0,0,0|1,0,0]=3 8341 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,2,0,0,0,0|2,0,0]=4 8342 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,2,0,0,0,0|1,0,0]=3 8343 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,2,0,0,0,0|1,0,0]=3 8344 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,2,0,0,0,0|1,0,0]=3 8345 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,2,0,0,0,0|1,0,0]=3 8346 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,2,0,0,0,0|1,0,1]=4 8347 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [0,2,0,0,0,0|2,0,0]=4 8348 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,2,0,0,0,0|1,0,1]=4 8349 B10R0.3 CC(C)OCCN(C)CCO 2230a_100000210263_100000211751 [0,2,0,0,0,0|2,0,0]=4 8350 B10R0.3 CC(C)OCCN(C)CCO 269982a_100000210263_100000211751 [0,2,0,0,0,0|2,0,0]=4 8351 B10R0.3 CC(C)OCN[C@H](C)CCO 2230a_100000706166_100000709892 [0,2,0,0,0,0|2,0,0]=4 8352 B10R0.3 CC(C)OCN[C@H](C)CCO 34a_100000706166_100000709892 [0,2,0,0,0,0|2,0,0]=4 8353 B10R0.3 CC(C)OCSC(C)CCO 62a_100000709892_100009893172 [0,2,0,0,0,0|2,0,0]=4 8354 B10R0.3 CC(C)OCSC(C)CCO 62a_100009893172_100000709892 [0,2,0,0,0,0|2,0,0]=4 8355 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|1,0,1]=4 8356 B10R0.3 CC(C)SCCN(C)CCO 2230a_100000210263_100000730970 [0,2,0,0,0,0|2,0,0]=4 8357 B10R0.3 CC(C)SCCN(C)CCO 269982a_100000210263_100000730970 [0,2,0,0,0,0|2,0,0]=4 8358 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [0,2,0,0,0,0|2,0,0]=4 8359 B10R0.3 CC(CCO)OCCC(F)F 34a_100103093639_100009893172 [0,2,0,0,0,0|2,0,0]=4 8360 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,2,0,0,0,0|1,0,0]=3 8361 B10R0.3 CC(CCO)SCCN(C)C 62a_100009893172_100000755713 [0,2,0,0,0,0|2,0,0]=4 8362 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|0,0,1]=3 8363 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,2,0,0,0,0|1,0,0]=3 8364 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,2,0,0,0,0|1,0,0]=3 8365 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|1,0,1]=4 8366 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [0,2,0,0,0,0|1,0,0]=3 8367 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [0,2,0,0,0,0|1,0,0]=3 8368 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [0,2,0,0,0,0|1,0,0]=3 8369 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,2,0,0,0,0|2,0,0]=4 8370 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [0,2,0,0,0,0|1,0,0]=3 8371 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [0,2,0,0,0,0|1,0,0]=3 8372 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [0,2,0,0,0,0|2,0,0]=4 8373 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,1]=4 8374 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,1]=4 8375 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|0,0,1]=3 8376 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,2,0,0,0,0|1,0,1]=4 8377 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,2,0,0,0,0|1,0,1]=4 8378 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,2,0,0,0,0|1,0,1]=4 8379 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,2,0,0,0,0|1,0,1]=4 8380 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,2,0,0,0,0|1,0,1]=4 8381 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|1,0,1]=4 8382 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|1,0,1]=4 8383 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,2,0,0,0,0|2,0,0]=4 8384 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,2,0,0,0,0|2,0,0]=4 8385 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|1,0,1]=4 8386 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,2,0,0,0,0|2,0,0]=4 8387 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,2,0,0,0,0|2,0,0]=4 8388 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,2,0,0,0,0|1,0,0]=3 8390 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,2,0,0,0,0|1,0,0]=3 8391 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,2,0,0,0,0|1,0,0]=3 8392 B10R0.3 CCCC(C)CNCC(F)F 270004a_100000765723_100000243154 [0,2,0,0,0,0|2,0,0]=4 8393 B10R0.3 CCCC(C)CNCC(F)F 34a_100000765723_100011216630 [0,2,0,0,0,0|2,0,0]=4 8394 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [0,2,0,0,0,0|2,0,0]=4 8395 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,2,0,0,0,0|2,0,0]=4 8396 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,2,0,0,0,0|2,0,0]=4 8397 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,2,0,0,0,0|2,0,0]=4 8398 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [0,2,0,0,0,0|2,0,0]=4 8399 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,2,0,0,0,0|1,0,0]=3 8400 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,2,0,0,0,0|1,0,0]=3 8401 B10R0.3 CCCC(C)COCC(F)F 34a_100000688023_100011934356 [0,2,0,0,0,0|2,0,0]=4 8402 B10R0.3 CCCC(C)COCC(F)F 34a_100000743014_100011216630 [0,2,0,0,0,0|2,0,0]=4 8403 B10R0.3 CCCC(C)COCC(F)F 7a_100000688023_100011934356 [0,2,0,0,0,0|2,0,0]=4 8404 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [0,2,0,0,0,0|2,0,0]=4 8405 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [0,2,0,0,0,0|2,0,0]=4 8406 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,2,0,0,0,0|1,0,0]=3 8407 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,2,0,0,0,0|1,0,0]=3 8408 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,2,0,0,0,0|2,0,0]=4 8409 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,2,0,0,0,0|2,0,0]=4 8410 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,2,0,0,0,0|1,0,0]=3 8411 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,2,0,0,0,0|1,0,0]=3 8412 B10R0.3 CCCC(C)CSCC(F)F 62a_100011216630_100011934356 [0,2,0,0,0,0|2,0,0]=4 8413 B10R0.3 CCCC(C)CSCC(F)F 62a_100011934356_100011216630 [0,2,0,0,0,0|2,0,0]=4 8414 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,2,0,0,0,0|1,0,0]=3 8415 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,2,0,0,0,0|1,0,0]=3 8416 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,2,0,0,0,0|1,0,0]=3 8420 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,2,0,0,0,0|1,0,0]=3 8421 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,2,0,0,0,0|1,0,0]=3 8422 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,2,0,0,0,0|2,0,0]=4 8427 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|1,0,0]=3 8428 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|1,0,0]=3 8429 B10R0.3 CCCC(C)OCCC(F)F 34a_100103093639_100000766640 [0,2,0,0,0,0|2,0,0]=4 8430 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,2,0,0,0,0|2,0,0]=4 8431 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,2,0,0,0,0|2,0,0]=4 8432 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,2,0,0,0,0|2,0,0]=4 8433 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,2,0,0,0,0|1,0,0]=3 8434 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,2,0,0,0,0|1,0,0]=3 8435 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|1,0,1]=4 8436 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,2,0,0,0,0|2,0,0]=4 8437 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,2,0,0,0,0|2,0,0]=4 8438 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,2,0,0,0,0|1,0,0]=3 8439 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,2,0,0,0,0|1,0,0]=3 8440 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,2,0,0,0,0|2,0,0]=4 8441 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,2,0,0,0,0|2,0,0]=4 8442 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|1,0,0]=3 8443 B10R0.3 CCC[C@H](N)COCC(F)F 34a_100000732646_100011934356 [0,2,0,0,0,0|2,0,0]=4 8444 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|1,0,0]=3 8445 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|1,0,1]=4 8446 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,2,0,0,0,0|2,0,0]=4 8447 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,2,0,0,0,0|2,0,0]=4 8448 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|2,0,0]=4 8449 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|2,0,0]=4 8450 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|1,0,1]=4 8451 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000210263_100000757444 [0,2,0,0,0,0|2,0,0]=4 8452 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000225831_100000211926 [0,2,0,0,0,0|2,0,0]=4 8453 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|1,0,1]=4 8454 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [0,2,0,0,0,0|2,0,0]=4 8455 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [0,2,0,0,0,0|2,0,0]=4 8456 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [0,2,0,0,0,0|2,0,0]=4 8457 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [0,2,0,0,0,0|2,0,0]=4 8458 B10R0.3 COCC(N)COCC(C)O 34a_100000724102_100011218427 [0,2,0,0,0,0|2,0,0]=4 8459 B10R0.3 COCC(N)COC[C@@H](C)O 34a_100000724102_100009817552 [0,2,0,0,0,0|2,0,0]=4 8460 B10R0.3 COCC(O)CNCC(C)O 2230a_100000756049_100011218427 [0,2,0,0,0,0|2,0,0]=4 8461 B10R0.3 COCC(O)CNCC(C)O 34a_100000210904_100011215053 [0,2,0,0,0,0|2,0,0]=4 8462 B10R0.3 COCC(O)CNCC(C)O 34a_100000756049_100011218427 [0,2,0,0,0,0|2,0,0]=4 8463 B10R0.3 COCC(O)CNC[C@@H](C)O 2230a_100000756049_100009817552 [0,2,0,0,0,0|2,0,0]=4 8464 B10R0.3 COCC(O)CNC[C@@H](C)O 34a_100000756049_100009817552 [0,2,0,0,0,0|2,0,0]=4 8465 B10R0.3 COCC(O)CSCC(C)O 62a_100011215053_100011218427 [0,2,0,0,0,0|2,0,0]=4 8466 B10R0.3 COCC(O)CSCC(C)O 62a_100011218427_100011215053 [0,2,0,0,0,0|2,0,0]=4 8467 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100009817552_100011215053 [0,2,0,0,0,0|2,0,0]=4 8468 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100011215053_100009817552 [0,2,0,0,0,0|2,0,0]=4 8469 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [0,2,0,0,0,0|2,0,0]=4 8470 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,2,0,0,0,0|2,0,0]=4 8471 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|1,0,1]=4 8472 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [0,2,0,0,0,0|2,0,0]=4 8473 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|1,0,1]=4 8474 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|1,0,1]=4 8475 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|1,0,1]=4 8476 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,2,0,0,0,0|1,0,1]=4 8477 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,2,0,0,0,0|1,0,1]=4 8478 B10R0.4 C#CCCCCCNC(C)C 2230a_100138425928_100012094781 [0,2,0,0,0,0|1,0,1]=4 8479 B10R0.4 C#CCCCCCNC(C)C 34a_100138425928_100012094781 [0,2,0,0,0,0|1,0,1]=4 8480 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [0,2,0,0,0,0|1,0,1]=4 8481 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [0,2,0,0,0,0|1,0,1]=4 8482 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [0,2,0,0,0,0|1,0,1]=4 8483 B10R0.4 C#CCCCCCSC(C)C 62a_100000210206_100012094781 [0,2,0,0,0,0|1,0,1]=4 8484 B10R0.4 C#CCCCCCSC(C)C 62a_100012094781_100000210206 [0,2,0,0,0,0|1,0,1]=4 8485 B10R0.4 C#CCCCCNCC(C)C 2230a_100000210953_100010269958 [0,2,0,0,0,0|1,0,1]=4 8486 B10R0.4 C#CCCCCNCC(C)C 2230a_100000706060_100000210760 [0,2,0,0,0,0|1,0,1]=4 8487 B10R0.4 C#CCCCCNCC(C)C 34a_100000210953_100010269958 [0,2,0,0,0,0|1,0,1]=4 8488 B10R0.4 C#CCCCCNCC(C)C 34a_100000706060_100000210624 [0,2,0,0,0,0|1,0,1]=4 8489 B10R0.4 C#CCCCCNCC(C)O 2230a_100000210904_100010269958 [0,2,0,0,0,0|0,0,2]=4 8490 B10R0.4 C#CCCCCNCC(C)O 2230a_100000706060_100011218427 [0,2,0,0,0,0|0,0,2]=4 8491 B10R0.4 C#CCCCCNCC(C)O 34a_100000210904_100010269958 [0,2,0,0,0,0|0,0,2]=4 8492 B10R0.4 C#CCCCCNCC(C)O 34a_100000706060_100011218427 [0,2,0,0,0,0|0,0,2]=4 8493 B10R0.4 C#CCCCCNC[C@@H](C)O 2230a_100000706060_100009817552 [0,2,0,0,0,0|0,0,2]=4 8494 B10R0.4 C#CCCCCNC[C@@H](C)O 34a_100000706060_100009817552 [0,2,0,0,0,0|0,0,2]=4 8495 B10R0.4 C#CCCCCOCC(C)Br 34a_100012180447_100010269958 [0,2,0,0,0,0|1,0,1]=4 8496 B10R0.4 C#CCCCCOCC(C)C 34a_100000210257_100010269958 [0,2,0,0,0,0|1,0,1]=4 8497 B10R0.4 C#CCCCCOCC(C)C 34a_100000766709_100000210624 [0,2,0,0,0,0|1,0,1]=4 8498 B10R0.4 C#CCCCCOCC(C)C 7a_100000766709_100000210760 [0,2,0,0,0,0|1,0,1]=4 8499 B10R0.4 C#CCCCCOCC(C)F 34a_100015925927_100010269958 [0,2,0,0,0,0|1,0,1]=4 8500 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [0,2,0,0,0,0|0,0,2]=4 8501 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [0,2,0,0,0,0|0,0,2]=4 8502 B10R0.4 C#CCCCCOC[C@@H](C)Cl 34a_100016084084_100010269958 [0,2,0,0,0,0|1,0,1]=4 8503 B10R0.4 C#CCCCCOC[C@@H](C)N 34a_100000737577_100010269958 [0,2,0,0,0,0|1,0,1]=4 8504 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [0,2,0,0,0,0|0,0,2]=4 8505 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [0,2,0,0,0,0|0,0,2]=4 8506 B10R0.4 C#CCCCCSCC(C)C 62a_100000210624_100010269958 [0,2,0,0,0,0|1,0,1]=4 8507 B10R0.4 C#CCCCCSCC(C)C 62a_100010269958_100000210760 [0,2,0,0,0,0|1,0,1]=4 8508 B10R0.4 C#CCCCCSCC(C)O 62a_100010269958_100011218427 [0,2,0,0,0,0|0,0,2]=4 8509 B10R0.4 C#CCCCCSCC(C)O 62a_100011218427_100010269958 [0,2,0,0,0,0|0,0,2]=4 8510 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100009817552_100010269958 [0,2,0,0,0,0|0,0,2]=4 8511 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100010269958_100009817552 [0,2,0,0,0,0|0,0,2]=4 8512 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [0,2,0,0,0,0|1,0,1]=4 8513 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [0,2,0,0,0,0|0,0,2]=4 8514 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [0,2,0,0,0,0|0,0,2]=4 8515 B10R0.4 C#CCCCOCCC(C)Br 34a_100009893172_100000695029 [0,2,0,0,0,0|1,0,1]=4 8516 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [0,2,0,0,0,0|1,0,1]=4 8517 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [0,2,0,0,0,0|1,0,1]=4 8518 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [0,2,0,0,0,0|1,0,1]=4 8519 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [0,2,0,0,0,0|1,0,1]=4 8520 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [0,2,0,0,0,0|0,0,2]=4 8521 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [0,2,0,0,0,0|0,0,2]=4 8522 B10R0.4 C#CCCCOCC[C@@H](C)N 34a_100000706166_100000695029 [0,2,0,0,0,0|1,0,1]=4 8523 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [0,2,0,0,0,0|1,0,1]=4 8524 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [0,2,0,0,0,0|1,0,1]=4 8525 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [0,2,0,0,0,0|0,0,2]=4 8526 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [0,2,0,0,0,0|0,0,2]=4 8527 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [0,2,0,0,0,0|1,0,1]=4 8528 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [0,2,0,0,0,0|1,0,1]=4 8529 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [0,2,0,0,0,0|1,0,1]=4 8530 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [0,2,0,0,0,0|0,0,2]=4 8531 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [0,2,0,0,0,0|1,0,1]=4 8532 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [0,2,0,0,0,0|1,0,1]=4 8533 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [0,2,0,0,0,0|1,0,1]=4 8534 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [0,2,0,0,0,0|0,0,2]=4 8535 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [0,2,0,0,0,0|1,0,1]=4 8536 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [0,2,0,0,0,0|1,0,1]=4 8537 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [0,2,0,0,0,0|0,0,2]=4 8538 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [0,2,0,0,0,0|0,0,2]=4 8539 B10R0.4 C#CCNCCCCC(C)C 34a_100000212058_100011216152 [0,2,0,0,0,0|1,0,1]=4 8540 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [0,2,0,0,0,0|1,0,1]=4 8541 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [0,2,0,0,0,0|1,0,1]=4 8542 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [0,2,0,0,0,0|1,0,1]=4 8543 B10R0.4 C#CCSCCCCC(C)C 62a_100000038162_100011216152 [0,2,0,0,0,0|1,0,1]=4 8544 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,2,0,0,0,0|0,0,2]=4 8545 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,2,0,0,0,0|0,0,2]=4 8546 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,2,0,0,0,0|0,0,2]=4 8547 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,2,0,0,0,0|0,0,2]=4 8548 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,2,0,0,0,0|1,0,1]=4 8549 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,2,0,0,0,0|0,0,2]=4 8550 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,2,0,0,0,0|1,0,1]=4 8551 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,2,0,0,0,0|0,0,1]=3 8552 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,2,0,0,0,0|0,0,1]=3 8553 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,2,0,0,0,0|1,0,1]=4 8554 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,2,0,0,0,0|1,0,1]=4 8555 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|1,0,1]=4 8556 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|1,0,1]=4 8557 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|1,0,1]=4 8558 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,2,0,0,0,0|1,0,1]=4 8559 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,2,0,0,0,0|1,0,1]=4 8560 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,2,0,0,0,0|1,0,1]=4 8561 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,2,0,0,0,0|1,0,1]=4 8562 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,2,0,0,0,0|1,0,1]=4 8563 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,2,0,0,0,0|1,0,1]=4 8564 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,2,0,0,0,0|1,0,1]=4 8565 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,2,0,0,0,0|0,0,1]=3 8566 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,2,0,0,0,0|1,0,1]=4 8567 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,2,0,0,0,0|1,0,1]=4 8568 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,2,0,0,0,0|1,0,1]=4 8569 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,2,0,0,0,0|1,0,1]=4 8570 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,2,0,0,0,0|1,0,1]=4 8571 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,2,0,0,0,0|1,0,1]=4 8572 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,2,0,0,0,0|0,0,1]=3 8573 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,2,0,0,0,0|0,0,1]=3 8574 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,2,0,0,0,0|1,0,1]=4 8575 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,2,0,0,0,0|1,0,1]=4 8576 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,2,0,0,0,0|1,0,1]=4 8577 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,2,0,0,0,0|0,0,1]=3 8578 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,2,0,0,0,0|0,0,1]=3 8579 B10R0.4 C=C(C)CNCCOCCO 2230a_100000211614_100000748629 [0,2,0,0,0,0|1,0,1]=4 8580 B10R0.4 C=C(C)CNCCOCCO 34a_100000211614_100000748629 [0,2,0,0,0,0|1,0,1]=4 8581 B10R0.4 C=C(C)CNCCSCCO 2230a_100011219999_100000748629 [0,2,0,0,0,0|1,0,1]=4 8582 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,2,0,0,0,0|1,0,1]=4 8583 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,2,0,0,0,0|1,0,1]=4 8584 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,0,0,0,0|1,0,1]=4 8585 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,0,0,0,0|1,0,1]=4 8586 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,0,0,0,0|1,0,1]=4 8587 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,2,0,0,0,0|1,0,1]=4 8588 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,2,0,0,0,0|1,0,1]=4 8589 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,2,0,0,0,0|1,0,1]=4 8590 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,2,0,0,0,0|1,0,1]=4 8591 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,2,0,0,0,0|1,0,1]=4 8592 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|1,0,1]=4 8593 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,2,0,0,0,0|0,0,1]=3 8594 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|1,0,1]=4 8595 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|1,0,1]=4 8596 B10R0.4 C=C(C)COCCOCCO 34a_100000210245_100000692535 [0,2,0,0,0,0|1,0,1]=4 8597 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,2,0,0,0,0|1,0,1]=4 8598 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,2,0,0,0,0|1,0,1]=4 8599 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,2,0,0,0,0|1,0,1]=4 8600 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,2,0,0,0,0|1,0,1]=4 8601 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,2,0,0,0,0|0,0,1]=3 8602 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,2,0,0,0,0|0,0,1]=3 8603 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,2,0,0,0,0|1,0,1]=4 8604 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,2,0,0,0,0|1,0,1]=4 8605 B10R0.4 C=C(C)CSCCOCCO 62a_100000748629_100011215305 [0,2,0,0,0,0|1,0,1]=4 8606 B10R0.4 C=C(C)CSCCOCCO 62a_100011215305_100000211660 [0,2,0,0,0,0|1,0,1]=4 8607 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,2,0,0,0,0|1,0,1]=4 8608 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,2,0,0,0,0|0,0,2]=4 8609 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,2,0,0,0,0|0,0,2]=4 8610 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,2,0,0,0,0|1,0,1]=4 8611 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,2,0,0,0,0|1,0,1]=4 8612 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,2,0,0,0,0|1,0,1]=4 8613 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,2,0,0,0,0|0,0,2]=4 8614 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,2,0,0,0,0|1,0,1]=4 8615 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,2,0,0,0,0|1,0,1]=4 8616 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,2,0,0,0,0|0,0,2]=4 8617 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,2,0,0,0,0|0,0,2]=4 8618 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|1,0,1]=4 8619 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|1,0,1]=4 8620 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|1,0,1]=4 8621 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,2,0,0,0,0|1,0,1]=4 8622 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,2,0,0,0,0|1,0,1]=4 8623 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,2,0,0,0,0|1,0,1]=4 8624 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,2,0,0,0,0|1,0,1]=4 8625 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,2,0,0,0,0|1,0,1]=4 8626 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,2,0,0,0,0|1,0,1]=4 8627 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,2,0,0,0,0|1,0,1]=4 8628 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,2,0,0,0,0|1,0,1]=4 8629 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,2,0,0,0,0|1,0,1]=4 8630 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,2,0,0,0,0|1,0,1]=4 8631 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,2,0,0,0,0|1,0,1]=4 8632 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,2,0,0,0,0|1,0,1]=4 8633 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,2,0,0,0,0|1,0,1]=4 8634 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,2,0,0,0,0|1,0,1]=4 8635 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,2,0,0,0,0|0,0,2]=4 8636 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,2,0,0,0,0|0,0,2]=4 8637 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,2,0,0,0,0|0,0,2]=4 8638 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,2,0,0,0,0|0,0,2]=4 8639 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,2,0,0,0,0|0,0,2]=4 8640 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,2,0,0,0,0|0,0,2]=4 8641 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,2,0,0,0,0|1,0,1]=4 8642 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,2,0,0,0,0|1,0,1]=4 8643 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,2,0,0,0,0|1,0,1]=4 8644 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,2,0,0,0,0|1,0,1]=4 8645 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,2,0,0,0,0|1,0,1]=4 8646 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,2,0,0,0,0|0,0,2]=4 8647 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,2,0,0,0,0|0,0,2]=4 8648 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,2,0,0,0,0|1,0,1]=4 8649 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,2,0,0,0,0|1,0,1]=4 8650 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,2,0,0,0,0|0,0,2]=4 8651 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,2,0,0,0,0|0,0,2]=4 8652 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,2,0,0,0,0|1,0,1]=4 8653 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,2,0,0,0,0|1,0,1]=4 8654 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,2,0,0,0,0|0,0,2]=4 8655 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,2,0,0,0,0|0,0,2]=4 8656 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,2,0,0,0,0|0,0,2]=4 8657 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,2,0,0,0,0|0,0,2]=4 8658 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,2,0,0,0,0|1,0,1]=4 8659 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,2,0,0,0,0|1,0,1]=4 8660 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,2,0,0,0,0|1,0,1]=4 8661 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,2,0,0,0,0|0,0,2]=4 8662 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,2,0,0,0,0|0,0,2]=4 8663 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,2,0,0,0,0|0,0,2]=4 8664 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,2,0,0,0,0|1,0,1]=4 8665 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,2,0,0,0,0|1,0,1]=4 8666 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,2,0,0,0,0|1,0,1]=4 8667 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,2,0,0,0,0|1,0,1]=4 8668 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,2,0,0,0,0|1,0,1]=4 8669 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,2,0,0,0,0|0,0,2]=4 8670 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,2,0,0,0,0|0,0,2]=4 8671 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,2,0,0,0,0|1,0,1]=4 8672 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,2,0,0,0,0|1,0,1]=4 8673 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,2,0,0,0,0|1,0,1]=4 8674 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,2,0,0,0,0|0,0,2]=4 8675 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,2,0,0,0,0|0,0,2]=4 8676 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,2,0,0,0,0|1,0,1]=4 8677 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,2,0,0,0,0|1,0,1]=4 8678 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,2,0,0,0,0|1,0,1]=4 8679 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,2,0,0,0,0|0,0,2]=4 8680 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,2,0,0,0,0|1,0,1]=4 8681 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,2,0,0,0,0|1,0,1]=4 8682 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,2,0,0,0,0|1,0,1]=4 8683 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,2,0,0,0,0|0,0,2]=4 8684 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,2,0,0,0,0|1,0,1]=4 8685 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,2,0,0,0,0|1,0,1]=4 8686 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,2,0,0,0,0|0,0,2]=4 8687 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,2,0,0,0,0|0,0,2]=4 8688 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,2,0,0,0,0|1,0,1]=4 8689 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,2,0,0,0,0|1,0,1]=4 8690 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,2,0,0,0,0|1,0,1]=4 8691 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,2,0,0,0,0|1,0,1]=4 8692 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,2,0,0,0,0|1,0,1]=4 8693 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,2,0,0,0,0|1,0,1]=4 8694 B10R0.4 CC#CCCOCCC(C)O 34a_100000750427_100012276601 [0,2,0,0,0,0|0,0,2]=4 8695 B10R0.4 CC#CCNCCCC(C)O 2230a_100000685387_200000718107 [0,2,0,0,0,0|0,0,2]=4 8696 B10R0.4 CC#CCNCCCC(C)O 34a_100000685387_200000718107 [0,2,0,0,0,0|0,0,2]=4 8697 B10R0.4 CC#CCOCCCC(C)O 34a_100000761923_200000718107 [0,2,0,0,0,0|0,0,2]=4 8698 B10R0.4 CC#CCSCCCC(C)O 62a_100000748600_200000718107 [0,2,0,0,0,0|0,0,2]=4 8699 B10R0.4 CC#CCSCCCC(C)O 62a_200000718107_100000748600 [0,2,0,0,0,0|0,0,2]=4 8700 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,2,0,0,0,0|0,0,2]=4 8701 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,2,0,0,0,0|0,0,2]=4 8702 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,2,0,0,0,0|0,0,2]=4 8703 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,2,0,0,0,0|0,0,2]=4 8704 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,2,0,0,0,0|0,0,2]=4 8705 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,2,0,0,0,0|0,0,2]=4 8706 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,2,0,0,0,0|0,0,2]=4 8707 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,2,0,0,0,0|0,0,2]=4 8708 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|1,0,1]=4 8709 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|0,0,0]=2 8710 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|0,0,0]=2 8711 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|1,0,1]=4 8712 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|0,0,1]=3 8713 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|1,0,1]=4 8714 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|1,0,1]=4 8715 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|1,0,1]=4 8716 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|1,0,1]=4 8717 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|0,0,1]=3 8718 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|0,0,1]=3 8719 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|1,0,1]=4 8720 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|1,0,1]=4 8721 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|1,0,1]=4 8722 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|1,0,1]=4 8723 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|1,0,1]=4 8724 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|1,0,1]=4 8725 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|1,0,1]=4 8726 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|0,0,1]=3 8727 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|0,0,1]=3 8728 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,2,0,0,0,0|1,0,1]=4 8729 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|1,0,1]=4 8730 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|1,0,1]=4 8731 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|0,0,1]=3 8732 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|0,0,1]=3 8733 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|1,0,1]=4 8734 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|1,0,1]=4 8735 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|1,0,1]=4 8736 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|1,0,1]=4 8737 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|0,0,1]=3 8738 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|0,0,1]=3 8739 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|1,0,1]=4 8740 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|1,0,1]=4 8741 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|0,0,1]=3 8742 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|0,0,1]=3 8743 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|1,0,1]=4 8744 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|0,0,1]=3 8745 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|1,0,1]=4 8746 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|1,0,1]=4 8747 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|0,0,1]=3 8748 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|0,0,1]=3 8749 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|1,0,1]=4 8750 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|1,0,1]=4 8751 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|1,0,1]=4 8752 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|1,0,1]=4 8753 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|1,0,1]=4 8754 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|1,0,1]=4 8755 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|1,0,1]=4 8756 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|1,0,1]=4 8757 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|1,0,1]=4 8758 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|1,0,1]=4 8759 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|1,0,1]=4 8760 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|1,0,1]=4 8761 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|1,0,1]=4 8762 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|1,0,1]=4 8763 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|1,0,1]=4 8764 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|1,0,1]=4 8765 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|1,0,1]=4 8766 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|1,0,1]=4 8767 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,2,0,0,0,0|1,0,1]=4 8768 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,2,0,0,0,0|1,0,1]=4 8769 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,2,0,0,0,0|1,0,1]=4 8770 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,2,0,0,0,0|1,0,1]=4 8771 B10R0.4 CC(Br)CCOCC#CCO 34a_100009893172_200000047223 [0,2,0,0,0,0|0,0,2]=4 8772 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,2,0,0,0,0|1,0,0]=3 8773 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,2,0,0,0,0|0,0,0]=2 8774 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,2,0,0,0,0|1,0,0]=3 8775 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,2,0,0,0,0|0,0,0]=2 8776 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,2,0,0,0,0|1,0,0]=3 8777 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,2,0,0,0,0|1,0,0]=3 8778 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,2,0,0,0,0|1,0,0]=3 8779 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,2,0,0,0,0|1,0,0]=3 8780 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,2,0,0,0,0|1,0,0]=3 8781 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,2,0,0,0,0|1,0,0]=3 8782 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,2,0,0,0,0|1,0,0]=3 8783 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,2,0,0,0,0|1,0,0]=3 8784 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,2,0,0,0,0|1,0,0]=3 8785 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,2,0,0,0,0|0,0,0]=2 8786 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,2,0,0,0,0|0,0,0]=2 8787 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [0,2,0,0,0,0|1,0,1]=4 8788 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,2,0,0,0,0|0,0,2]=4 8789 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,2,0,0,0,0|0,0,2]=4 8790 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,2,0,0,0,0|1,0,0]=3 8791 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,2,0,0,0,0|1,0,0]=3 8792 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,2,0,0,0,0|1,0,0]=3 8793 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,2,0,0,0,0|1,0,0]=3 8794 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,2,0,0,0,0|0,0,0]=2 8795 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,2,0,0,0,0|0,0,0]=2 8796 B10R0.4 CC(C)CCCCSCC#N 62a_100011215382_100011216152 [0,2,0,0,0,0|1,0,1]=4 8797 B10R0.4 CC(C)CCCCSCC#N 62a_100011216152_100011215382 [0,2,0,0,0,0|1,0,1]=4 8798 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,2,0,0,0,0|0,0,2]=4 8799 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,2,0,0,0,0|0,0,2]=4 8800 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,2,0,0,0,0|1,0,0]=3 8801 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,2,0,0,0,0|1,0,0]=3 8802 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,2,0,0,0,0|0,0,0]=2 8803 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,2,0,0,0,0|0,0,0]=2 8804 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [0,2,0,0,0,0|1,0,1]=4 8805 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,2,0,0,0,0|1,0,0]=3 8806 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,2,0,0,0,0|1,0,0]=3 8807 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,2,0,0,0,0|1,0,0]=3 8808 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,2,0,0,0,0|1,0,0]=3 8809 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,2,0,0,0,0|0,0,0]=2 8810 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,2,0,0,0,0|0,0,0]=2 8811 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [0,2,0,0,0,0|1,0,1]=4 8812 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,2,0,0,0,0|1,0,0]=3 8813 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,2,0,0,0,0|1,0,0]=3 8814 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,2,0,0,0,0|1,0,0]=3 8815 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,2,0,0,0,0|1,0,0]=3 8816 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,2,0,0,0,0|1,0,0]=3 8817 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,2,0,0,0,0|1,0,0]=3 8818 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,2,0,0,0,0|0,0,0]=2 8819 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,2,0,0,0,0|0,0,0]=2 8820 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,2,0,0,0,0|1,0,0]=3 8821 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [0,2,0,0,0,0|1,0,1]=4 8822 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [0,2,0,0,0,0|1,0,1]=4 8823 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,2,0,0,0,0|1,0,0]=3 8824 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,2,0,0,0,0|1,0,0]=3 8825 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,2,0,0,0,0|0,0,0]=2 8826 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,2,0,0,0,0|0,0,0]=2 8827 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,2,0,0,0,0|0,0,0]=2 8828 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,2,0,0,0,0|0,0,0]=2 8829 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,2,0,0,0,0|0,0,0]=2 8830 B10R0.4 CC(C)CCOCC#CCO 34a_100000210254_200000047223 [0,2,0,0,0,0|0,0,2]=4 8831 B10R0.4 CC(C)CCOCC#CCO 7a_100000210254_200000047223 [0,2,0,0,0,0|0,0,2]=4 8832 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [0,2,0,0,0,0|1,0,1]=4 8833 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,2,0,0,0,0|0,0,2]=4 8834 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,2,0,0,0,0|1,0,0]=3 8835 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,2,0,0,0,0|1,0,0]=3 8836 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,2,0,0,0,0|1,0,0]=3 8837 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,2,0,0,0,0|1,0,0]=3 8838 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,2,0,0,0,0|1,0,0]=3 8839 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,2,0,0,0,0|1,0,0]=3 8840 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,2,0,0,0,0|1,0,0]=3 8841 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,2,0,0,0,0|1,0,0]=3 8842 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,2,0,0,0,0|1,0,0]=3 8843 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,2,0,0,0,0|0,0,0]=2 8844 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,2,0,0,0,0|0,0,0]=2 8845 B10R0.4 CC(C)CCSCC#CCO 62a_100000210312_200000047223 [0,2,0,0,0,0|0,0,2]=4 8846 B10R0.4 CC(C)CCSCC#CCO 62a_200000047223_100000210312 [0,2,0,0,0,0|0,0,2]=4 8847 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [0,2,0,0,0,0|1,0,1]=4 8848 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [0,2,0,0,0,0|1,0,1]=4 8849 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,2,0,0,0,0|0,0,2]=4 8850 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,2,0,0,0,0|0,0,2]=4 8851 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,2,0,0,0,0|1,0,0]=3 8852 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,2,0,0,0,0|1,0,0]=3 8853 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,2,0,0,0,0|0,0,0]=2 8854 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,2,0,0,0,0|0,0,0]=2 8855 B10R0.4 CC(C)CNCCCCC#N 2230a_100000210953_100000211819 [0,2,0,0,0,0|1,0,1]=4 8856 B10R0.4 CC(C)CNCCCCC#N 270004a_100000751965_100000210432 [0,2,0,0,0,0|1,0,1]=4 8857 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,2,0,0,0,0|0,0,2]=4 8858 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,2,0,0,0,0|1,0,0]=3 8859 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,2,0,0,0,0|1,0,0]=3 8860 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,2,0,0,0,0|0,0,0]=2 8861 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,2,0,0,0,0|0,0,0]=2 8862 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,2,0,0,0,0|0,0,0]=2 8863 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,2,0,0,0,0|0,0,0]=2 8864 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,2,0,0,0,0|0,0,0]=2 8865 B10R0.4 CC(C)CNCCOCCF 34a_100015185251_100011217306 [0,2,0,0,0,0|2,0,0]=4 8866 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,2,0,0,0,0|1,0,0]=3 8867 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,2,0,0,0,0|1,0,0]=3 8868 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,2,0,0,0,0|1,0,0]=3 8869 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,2,0,0,0,0|1,0,0]=3 8870 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,2,0,0,0,0|1,0,0]=3 8871 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,2,0,0,0,0|1,0,0]=3 8872 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,2,0,0,0,0|1,0,0]=3 8873 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,2,0,0,0,0|1,0,0]=3 8874 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,2,0,0,0,0|1,0,0]=3 8875 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,2,0,0,0,0|1,0,0]=3 8876 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,2,0,0,0,0|1,0,0]=3 8877 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,2,0,0,0,0|1,0,0]=3 8878 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,2,0,0,0,0|1,0,0]=3 8879 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,2,0,0,0,0|1,0,0]=3 8880 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,2,0,0,0,0|1,0,0]=3 8881 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,2,0,0,0,0|1,0,0]=3 8882 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,2,0,0,0,0|0,0,0]=2 8883 B10R0.4 CC(C)COCCCNCF 34a_100000205972_100015361967 [0,2,0,0,0,0|2,0,0]=4 8884 B10R0.4 CC(C)COCCOCCBr 34a_100000692535_100000210624 [0,2,0,0,0,0|2,0,0]=4 8885 B10R0.4 CC(C)COCCOCCBr 7a_100000692535_100000210760 [0,2,0,0,0,0|2,0,0]=4 8886 B10R0.4 CC(C)COCCOCCCl 34a_100011215305_100000210624 [0,2,0,0,0,0|2,0,0]=4 8887 B10R0.4 CC(C)COCCOCCCl 7a_100011215305_100000210760 [0,2,0,0,0,0|2,0,0]=4 8888 B10R0.4 CC(C)COCCOCCF 34a_100000703358_100011217306 [0,2,0,0,0,0|2,0,0]=4 8889 B10R0.4 CC(C)COCCOCCF 34a_200015357709_100000210624 [0,2,0,0,0,0|2,0,0]=4 8890 B10R0.4 CC(C)COCCOCCF 7a_100000703358_100011217306 [0,2,0,0,0,0|2,0,0]=4 8891 B10R0.4 CC(C)COCCOCCF 7a_200015357709_100000210760 [0,2,0,0,0,0|2,0,0]=4 8892 B10R0.4 CC(C)COCCOCCI 34a_100012149058_100000210624 [0,2,0,0,0,0|2,0,0]=4 8893 B10R0.4 CC(C)COCCOCCI 7a_100012149058_100000210760 [0,2,0,0,0,0|2,0,0]=4 8894 B10R0.4 CC(C)COCCOCCN 34a_100000211614_100000210624 [0,2,0,0,0,0|2,0,0]=4 8895 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,2,0,0,0,0|1,0,0]=3 8896 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,2,0,0,0,0|1,0,0]=3 8897 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,2,0,0,0,0|1,0,0]=3 8898 B10R0.4 CC(C)CSCCCCC#N 62a_100000210624_100000211819 [0,2,0,0,0,0|1,0,1]=4 8899 B10R0.4 CC(C)CSCCCCC#N 62a_100011219923_100000210760 [0,2,0,0,0,0|1,0,1]=4 8900 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,2,0,0,0,0|0,0,2]=4 8901 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,2,0,0,0,0|0,0,2]=4 8902 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,2,0,0,0,0|1,0,0]=3 8903 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,2,0,0,0,0|1,0,0]=3 8904 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,2,0,0,0,0|0,0,0]=2 8905 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,2,0,0,0,0|0,0,0]=2 8906 B10R0.4 CC(C)CSCCOCCF 34a_200000230437_100011217306 [0,2,0,0,0,0|2,0,0]=4 8907 B10R0.4 CC(C)CSCCOCCF 7a_200000230437_100011217306 [0,2,0,0,0,0|2,0,0]=4 8908 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,2,0,0,0,0|1,0,0]=3 8909 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,2,0,0,0,0|1,0,0]=3 8910 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,2,0,0,0,0|1,0,0]=3 8911 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,2,0,0,0,0|1,0,0]=3 8912 B10R0.4 CC(C)NCCCCCC#N 2230a_100138425928_100009813376 [0,2,0,0,0,0|1,0,1]=4 8913 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,2,0,0,0,0|0,0,2]=4 8914 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,2,0,0,0,0|1,0,0]=3 8915 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,2,0,0,0,0|1,0,0]=3 8916 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,2,0,0,0,0|0,0,0]=2 8917 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,2,0,0,0,0|0,0,0]=2 8918 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,2,0,0,0,0|0,0,0]=2 8919 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,2,0,0,0,0|0,0,0]=2 8920 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,2,0,0,0,0|1,0,0]=3 8921 B10R0.4 CC(C)NCCCCOCF 34a_100011521146_100015361967 [0,2,0,0,0,0|2,0,0]=4 8922 B10R0.4 CC(C)NCCCOCCF 34a_100000182298_100011217306 [0,2,0,0,0,0|2,0,0]=4 8923 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,2,0,0,0,0|1,0,0]=3 8924 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [0,2,0,0,0,0|2,0,0]=4 8925 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [0,2,0,0,0,0|1,0,0]=3 8926 B10R0.4 CC(C)NN=CCCCCO 4a_100000741168_100000031955 [0,2,0,0,0,0|1,0,1]=4 8927 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,2,0,0,0,0|1,0,0]=3 8928 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,2,0,0,0,0|1,0,0]=3 8929 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,2,0,0,0,0|1,0,0]=3 8930 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,2,0,0,0,0|1,0,0]=3 8931 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,2,0,0,0,0|1,0,0]=3 8932 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,2,0,0,0,0|1,0,0]=3 8933 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,2,0,0,0,0|1,0,0]=3 8934 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,2,0,0,0,0|1,0,0]=3 8935 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,2,0,0,0,0|0,0,0]=2 8936 B10R0.4 CC(C)OCCCNCCF 2230a_100000737246_100011217306 [0,2,0,0,0,0|2,0,0]=4 8937 B10R0.4 CC(C)OCCCNCCF 34a_100000737246_100011217306 [0,2,0,0,0,0|2,0,0]=4 8938 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,2,0,0,0,0|1,0,0]=3 8939 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,2,0,0,0,0|1,0,0]=3 8940 B10R0.4 CC(C)OCCNCCCF 2230a_100000701111_100011934791 [0,2,0,0,0,0|2,0,0]=4 8941 B10R0.4 CC(C)OCCNCCCF 2230a_100015189416_100000211751 [0,2,0,0,0,0|2,0,0]=4 8942 B10R0.4 CC(C)OCCNCCCF 34a_100000701111_100011934791 [0,2,0,0,0,0|2,0,0]=4 8943 B10R0.4 CC(C)OCCNCCCF 34a_100015189416_100000211751 [0,2,0,0,0,0|2,0,0]=4 8944 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,2,0,0,0,0|1,0,0]=3 8945 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,2,0,0,0,0|1,0,0]=3 8946 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,2,0,0,0,0|2,0,0]=4 8947 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,2,0,0,0,0|2,0,0]=4 8948 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,2,0,0,0,0|2,0,0]=4 8949 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,2,0,0,0,0|2,0,0]=4 8950 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,2,0,0,0,0|2,0,0]=4 8951 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,2,0,0,0,0|2,0,0]=4 8952 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,2,0,0,0,0|1,0,0]=3 8953 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,2,0,0,0,0|1,0,0]=3 8954 B10R0.4 CC(C)OCCOCCON 34a_100000700252_100000211751 [0,2,0,0,0,0|2,0,0]=4 8955 B10R0.4 CC(C)OCCSCCCF 62a_100000211751_100011934791 [0,2,0,0,0,0|2,0,0]=4 8956 B10R0.4 CC(C)OCCSCCCF 62a_100011934791_100000211751 [0,2,0,0,0,0|2,0,0]=4 8957 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,2,0,0,0,0|1,0,0]=3 8958 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,2,0,0,0,0|1,0,0]=3 8959 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,2,0,0,0,0|1,0,0]=3 8960 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,2,0,0,0,0|1,0,0]=3 8961 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [0,2,0,0,0,0|2,0,0]=4 8962 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [0,2,0,0,0,0|2,0,0]=4 8963 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [0,2,0,0,0,0|2,0,0]=4 8964 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [0,2,0,0,0,0|2,0,0]=4 8965 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [0,2,0,0,0,0|2,0,0]=4 8966 B10R0.4 CC(C)OCSCCCCF 62a_100000709892_100000729493 [0,2,0,0,0,0|2,0,0]=4 8967 B10R0.4 CC(C)OCSCCCCF 62a_100000729493_100000709892 [0,2,0,0,0,0|2,0,0]=4 8968 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,2,0,0,0,0|1,0,0]=3 8969 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,2,0,0,0,0|1,0,0]=3 8970 B10R0.4 CC(C)SCCCCCC#N 62a_100000210206_100009813376 [0,2,0,0,0,0|1,0,1]=4 8971 B10R0.4 CC(C)SCCCCCC#N 62a_100009813376_100000210206 [0,2,0,0,0,0|1,0,1]=4 8972 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,2,0,0,0,0|0,0,2]=4 8973 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,2,0,0,0,0|0,0,2]=4 8974 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,2,0,0,0,0|1,0,0]=3 8975 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,2,0,0,0,0|1,0,0]=3 8976 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,2,0,0,0,0|0,0,0]=2 8977 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,2,0,0,0,0|0,0,0]=2 8978 B10R0.4 CC(C)SCCNCCCF 2230a_100000731138_100011934791 [0,2,0,0,0,0|2,0,0]=4 8979 B10R0.4 CC(C)SCCNCCCF 2230a_100015189416_100000730970 [0,2,0,0,0,0|2,0,0]=4 8980 B10R0.4 CC(C)SCCNCCCF 34a_100000731138_100011934791 [0,2,0,0,0,0|2,0,0]=4 8981 B10R0.4 CC(C)SCCNCCCF 34a_100015189416_100000730970 [0,2,0,0,0,0|2,0,0]=4 8982 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [0,2,0,0,0,0|1,0,0]=3 8983 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [0,2,0,0,0,0|1,0,0]=3 8984 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [0,2,0,0,0,0|2,0,0]=4 8985 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [0,2,0,0,0,0|2,0,0]=4 8986 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [0,2,0,0,0,0|2,0,0]=4 8987 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [0,2,0,0,0,0|2,0,0]=4 8988 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [0,2,0,0,0,0|2,0,0]=4 8989 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [0,2,0,0,0,0|2,0,0]=4 8990 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [0,2,0,0,0,0|1,0,0]=3 8991 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [0,2,0,0,0,0|1,0,0]=3 8992 B10R0.4 CC(C)SCCOCCON 34a_100000700252_100000730970 [0,2,0,0,0,0|2,0,0]=4 8993 B10R0.4 CC(C)SCCSCCCF 62a_100000730970_100011934791 [0,2,0,0,0,0|2,0,0]=4 8994 B10R0.4 CC(C)SCCSCCCF 62a_100011934791_100000730970 [0,2,0,0,0,0|2,0,0]=4 8995 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [0,2,0,0,0,0|1,0,0]=3 8996 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [0,2,0,0,0,0|1,0,0]=3 8997 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,2,0,0,0,0|1,0,0]=3 8998 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,2,0,0,0,0|0,0,0]=2 8999 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,2,0,0,0,0|1,0,0]=3 9000 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,2,0,0,0,0|1,0,0]=3 9001 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,2,0,0,0,0|1,0,0]=3 9002 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,2,0,0,0,0|1,0,0]=3 9003 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,2,0,0,0,0|1,0,0]=3 9004 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,2,0,0,0,0|1,0,0]=3 9005 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,2,0,0,0,0|1,0,0]=3 9006 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,2,0,0,0,0|1,0,0]=3 9007 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [0,2,0,0,0,0|1,0,1]=4 9008 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [0,2,0,0,0,0|1,0,1]=4 9009 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,2,0,0,0,0|1,0,0]=3 9010 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,2,0,0,0,0|1,0,0]=3 9011 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,2,0,0,0,0|0,0,0]=2 9012 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,2,0,0,0,0|0,0,0]=2 9013 B10R0.4 CC(O)CCNCC#CCO 2230a_200000755665_200000047223 [0,2,0,0,0,0|0,0,2]=4 9014 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [0,2,0,0,0,0|1,0,1]=4 9015 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,2,0,0,0,0|0,0,2]=4 9016 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,2,0,0,0,0|1,0,0]=3 9017 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,2,0,0,0,0|0,0,0]=2 9018 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,2,0,0,0,0|0,0,0]=2 9019 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,2,0,0,0,0|0,0,0]=2 9020 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,2,0,0,0,0|1,0,0]=3 9021 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,2,0,0,0,0|1,0,0]=3 9022 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,2,0,0,0,0|1,0,0]=3 9023 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,2,0,0,0,0|1,0,0]=3 9024 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,2,0,0,0,0|1,0,0]=3 9025 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,2,0,0,0,0|1,0,0]=3 9026 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,2,0,0,0,0|1,0,0]=3 9027 B10R0.4 CC(O)CCSCC#CCO 62a_100012276601_200000047223 [0,2,0,0,0,0|0,0,2]=4 9028 B10R0.4 CC(O)CCSCC#CCO 62a_200000047223_100012276601 [0,2,0,0,0,0|0,0,2]=4 9029 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [0,2,0,0,0,0|1,0,1]=4 9030 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [0,2,0,0,0,0|1,0,1]=4 9031 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,2,0,0,0,0|0,0,2]=4 9032 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,2,0,0,0,0|0,0,2]=4 9033 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,2,0,0,0,0|1,0,0]=3 9034 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,2,0,0,0,0|1,0,0]=3 9035 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,2,0,0,0,0|0,0,0]=2 9036 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,2,0,0,0,0|0,0,0]=2 9037 B10R0.4 CC(O)CNCCCCC#N 2230a_100000210904_100000211819 [0,2,0,0,0,0|1,0,1]=4 9038 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,2,0,0,0,0|0,0,2]=4 9039 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,2,0,0,0,0|1,0,0]=3 9040 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|1,0,0]=3 9041 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,2,0,0,0,0|0,0,0]=2 9042 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,2,0,0,0,0|0,0,0]=2 9043 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|0,0,0]=2 9044 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,2,0,0,0,0|0,0,0]=2 9045 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,2,0,0,0,0|1,0,0]=3 9046 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,2,0,0,0,0|1,0,0]=3 9047 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,2,0,0,0,0|1,0,0]=3 9048 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,2,0,0,0,0|1,0,0]=3 9049 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,2,0,0,0,0|1,0,0]=3 9050 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,2,0,0,0,0|1,0,0]=3 9051 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,2,0,0,0,0|1,0,0]=3 9052 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,2,0,0,0,0|1,0,0]=3 9053 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,2,0,0,0,0|1,0,0]=3 9054 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,2,0,0,0,0|1,0,0]=3 9055 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,2,0,0,0,0|1,0,0]=3 9056 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,2,0,0,0,0|1,0,0]=3 9057 B10R0.4 CC(O)COCCOCCBr 34a_100000692535_100011218427 [0,2,0,0,0,0|2,0,0]=4 9058 B10R0.4 CC(O)COCCOCCBr 7a_100000692535_100011218427 [0,2,0,0,0,0|2,0,0]=4 9059 B10R0.4 CC(O)COCCOCCCl 34a_100011215305_100011218427 [0,2,0,0,0,0|2,0,0]=4 9060 B10R0.4 CC(O)COCCOCCCl 7a_100011215305_100011218427 [0,2,0,0,0,0|2,0,0]=4 9061 B10R0.4 CC(O)COCCOCCF 34a_200015357709_100011218427 [0,2,0,0,0,0|2,0,0]=4 9062 B10R0.4 CC(O)COCCOCCF 7a_200015357709_100011218427 [0,2,0,0,0,0|2,0,0]=4 9063 B10R0.4 CC(O)COCCOCCI 34a_100012149058_100011218427 [0,2,0,0,0,0|2,0,0]=4 9064 B10R0.4 CC(O)COCCOCCI 7a_100012149058_100011218427 [0,2,0,0,0,0|2,0,0]=4 9065 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [0,2,0,0,0,0|2,0,0]=4 9066 B10R0.4 CC(O)CSCCCCC#N 62a_100011218427_100000211819 [0,2,0,0,0,0|1,0,1]=4 9067 B10R0.4 CC(O)CSCCCCC#N 62a_100011219923_100011218427 [0,2,0,0,0,0|1,0,1]=4 9068 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,2,0,0,0,0|0,0,2]=4 9069 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,2,0,0,0,0|0,0,2]=4 9070 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,2,0,0,0,0|1,0,0]=3 9071 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,2,0,0,0,0|1,0,0]=3 9072 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,2,0,0,0,0|0,0,0]=2 9073 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,2,0,0,0,0|0,0,0]=2 9074 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,2,0,0,0,0|1,0,0]=3 9075 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,2,0,0,0,0|1,0,0]=3 9076 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,2,0,0,0,0|0,0,2]=4 9077 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,2,0,0,0,0|0,0,2]=4 9078 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,2,0,0,0,0|0,0,2]=4 9079 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,2,0,0,0,0|0,0,2]=4 9080 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,2,0,0,0,0|0,0,2]=4 9081 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,2,0,0,0,0|0,0,2]=4 9082 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,2,0,0,0,0|0,0,2]=4 9083 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,2,0,0,0,0|0,0,2]=4 9084 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,2,0,0,0,0|0,0,2]=4 9085 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,2,0,0,0,0|0,0,2]=4 9086 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,2,0,0,0,0|0,0,2]=4 9087 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,2,0,0,0,0|0,0,2]=4 9088 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,2,0,0,0,0|0,0,2]=4 9089 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,2,0,0,0,0|0,0,2]=4 9090 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,2,0,0,0,0|0,0,2]=4 9091 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,2,0,0,0,0|0,0,2]=4 9092 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,2,0,0,0,0|0,0,2]=4 9093 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,2,0,0,0,0|0,0,2]=4 9094 B10R0.4 CCC#CCCOCC(C)O 34a_100000036655_100011218427 [0,2,0,0,0,0|0,0,2]=4 9095 B10R0.4 CCC#CCCOCC(C)O 7a_100000036655_100011218427 [0,2,0,0,0,0|0,0,2]=4 9096 B10R0.4 CCC#CCCOC[C@@H](C)O 34a_100000036655_100009817552 [0,2,0,0,0,0|0,0,2]=4 9097 B10R0.4 CCC#CCCOC[C@@H](C)O 7a_100000036655_100009817552 [0,2,0,0,0,0|0,0,2]=4 9098 B10R0.4 CCC#CCNCCC(C)O 2230a_200000755665_100009813939 [0,2,0,0,0,0|0,0,2]=4 9099 B10R0.4 CCC#CCOCCC(C)O 34a_100000032950_100012276601 [0,2,0,0,0,0|0,0,2]=4 9100 B10R0.4 CCC#CCSCCC(C)O 62a_100009813939_100012276601 [0,2,0,0,0,0|0,0,2]=4 9101 B10R0.4 CCC#CCSCCC(C)O 62a_100012276601_100009813939 [0,2,0,0,0,0|0,0,2]=4 9102 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,2,0,0,0,0|0,0,2]=4 9103 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,2,0,0,0,0|0,0,2]=4 9104 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,2,0,0,0,0|0,0,2]=4 9105 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,2,0,0,0,0|0,0,2]=4 9106 B10R0.4 CCCC#CCOCC(C)O 34a_100000034806_100011218427 [0,2,0,0,0,0|0,0,2]=4 9107 B10R0.4 CCCC#CCOCC(C)O 7a_100000034806_100011218427 [0,2,0,0,0,0|0,0,2]=4 9108 B10R0.4 CCCC#CCOC[C@@H](C)O 34a_100000034806_100009817552 [0,2,0,0,0,0|0,0,2]=4 9109 B10R0.4 CCCC#CCOC[C@@H](C)O 7a_100000034806_100009817552 [0,2,0,0,0,0|0,0,2]=4 9110 B10R0.4 CCCCC=NNCC(C)O 4a_200000730056_100000210104 [0,2,0,0,0,0|1,0,1]=4 9111 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|0,0,1]=3 9112 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|0,0,1]=3 9113 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|0,0,1]=3 9114 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,2,0,0,0,0|1,0,0]=3 9115 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,2,0,0,0,0|1,0,0]=3 9116 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,2,0,0,0,0|1,0,0]=3 9117 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,2,0,0,0,0|1,0,0]=3 9118 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,2,0,0,0,0|1,0,0]=3 9119 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,2,0,0,0,0|1,0,0]=3 9120 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 9121 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 9122 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 9123 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|0,0,2]=4 9124 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,2,0,0,0,0|1,0,0]=3 9125 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,2,0,0,0,0|1,0,0]=3 9126 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,2,0,0,0,0|1,0,0]=3 9127 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,2,0,0,0,0|1,0,0]=3 9128 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,2,0,0,0,0|1,0,0]=3 9129 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,2,0,0,0,0|1,0,0]=3 9130 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,2,0,0,0,0|1,0,0]=3 9131 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,2,0,0,0,0|1,0,0]=3 9132 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,2,0,0,0,0|0,0,2]=4 9133 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,2,0,0,0,0|0,0,2]=4 9134 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|0,0,1]=3 9135 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,2,0,0,0,0|1,0,0]=3 9136 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,2,0,0,0,0|1,0,0]=3 9137 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,2,0,0,0,0|1,0,0]=3 9138 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,2,0,0,0,0|1,0,0]=3 9139 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,2,0,0,0,0|0,0,0]=2 9140 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,2,0,0,0,0|0,0,0]=2 9141 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,2,0,0,0,0|0,0,0]=2 9142 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,2,0,0,0,0|1,0,0]=3 9143 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,2,0,0,0,0|1,0,0]=3 9144 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,2,0,0,0,0|0,0,0]=2 9145 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|0,0,2]=4 9146 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,0,0,0,0|0,0,2]=4 9147 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,0,0,0,0|0,0,2]=4 9148 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,0,0,0,0|0,0,2]=4 9149 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,2,0,0,0,0|1,0,0]=3 9150 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,2,0,0,0,0|1,0,0]=3 9151 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,2,0,0,0,0|1,0,0]=3 9152 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,2,0,0,0,0|1,0,0]=3 9153 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,2,0,0,0,0|1,0,0]=3 9154 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,2,0,0,0,0|0,0,0]=2 9155 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,2,0,0,0,0|0,0,0]=2 9156 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,2,0,0,0,0|1,0,0]=3 9157 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,2,0,0,0,0|1,0,0]=3 9158 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,2,0,0,0,0|1,0,0]=3 9159 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,2,0,0,0,0|1,0,0]=3 9160 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,2,0,0,0,0|1,0,0]=3 9161 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,2,0,0,0,0|0,0,0]=2 9162 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,2,0,0,0,0|0,0,0]=2 9163 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,2,0,0,0,0|1,0,1]=4 9164 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,2,0,0,0,0|0,0,2]=4 9165 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,2,0,0,0,0|0,0,2]=4 9166 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,2,0,0,0,0|0,0,2]=4 9167 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,2,0,0,0,0|0,0,2]=4 9168 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,2,0,0,0,0|1,0,0]=3 9169 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,2,0,0,0,0|1,0,0]=3 9170 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,2,0,0,0,0|0,0,0]=2 9171 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,2,0,0,0,0|0,0,0]=2 9172 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,2,0,0,0,0|1,0,0]=3 9173 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,2,0,0,0,0|1,0,0]=3 9174 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,2,0,0,0,0|0,0,0]=2 9175 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,2,0,0,0,0|0,0,0]=2 9176 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,2,0,0,0,0|1,0,1]=4 9177 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,2,0,0,0,0|0,0,2]=4 9178 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,2,0,0,0,0|1,0,0]=3 9179 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,2,0,0,0,0|1,0,0]=3 9180 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,2,0,0,0,0|0,0,0]=2 9181 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,2,0,0,0,0|0,0,0]=2 9182 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,2,0,0,0,0|2,0,0]=4 9183 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|1,0,1]=4 9184 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|0,0,2]=4 9185 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|0,0,2]=4 9186 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|0,0,2]=4 9187 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,0,0,0,0|0,0,2]=4 9188 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,0,0,0,0|0,0,2]=4 9189 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,0,0,0,0|0,0,2]=4 9190 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,0,0,0,0|0,0,2]=4 9191 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,2,0,0,0,0|1,0,0]=3 9192 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,2,0,0,0,0|1,0,0]=3 9193 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,2,0,0,0,0|1,0,0]=3 9194 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,2,0,0,0,0|1,0,0]=3 9195 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,2,0,0,0,0|1,0,0]=3 9196 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,2,0,0,0,0|0,0,0]=2 9197 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,2,0,0,0,0|0,0,0]=2 9198 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,2,0,0,0,0|1,0,0]=3 9199 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,2,0,0,0,0|2,0,0]=4 9200 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,2,0,0,0,0|1,0,0]=3 9201 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,2,0,0,0,0|2,0,0]=4 9202 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|0,0,2]=4 9203 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|0,0,2]=4 9204 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,2,0,0,0,0|0,0,2]=4 9205 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,2,0,0,0,0|0,0,2]=4 9206 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,2,0,0,0,0|1,0,0]=3 9207 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,2,0,0,0,0|1,0,0]=3 9208 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,2,0,0,0,0|0,0,0]=2 9209 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,2,0,0,0,0|0,0,0]=2 9210 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,2,0,0,0,0|2,0,0]=4 9211 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,2,0,0,0,0|2,0,0]=4 9212 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,2,0,0,0,0|2,0,0]=4 9213 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|0,0,2]=4 9214 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,2,0,0,0,0|0,0,2]=4 9215 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,2,0,0,0,0|0,0,2]=4 9216 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,2,0,0,0,0|1,0,0]=3 9217 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,2,0,0,0,0|1,0,0]=3 9218 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,2,0,0,0,0|1,0,0]=3 9219 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,2,0,0,0,0|1,0,0]=3 9220 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,2,0,0,0,0|0,0,0]=2 9221 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,2,0,0,0,0|0,0,0]=2 9222 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,2,0,0,0,0|2,0,0]=4 9223 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,2,0,0,0,0|1,0,1]=4 9224 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,2,0,0,0,0|2,0,0]=4 9225 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,2,0,0,0,0|2,0,0]=4 9226 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,2,0,0,0,0|2,0,0]=4 9227 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,2,0,0,0,0|2,0,0]=4 9228 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [0,2,0,0,0,0|2,0,0]=4 9229 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [0,2,0,0,0,0|2,0,0]=4 9230 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [0,2,0,0,0,0|2,0,0]=4 9231 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [0,2,0,0,0,0|2,0,0]=4 9232 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|0,0,2]=4 9233 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|0,0,2]=4 9234 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|0,0,2]=4 9235 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|0,0,2]=4 9236 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,2,0,0,0,0|0,0,2]=4 9237 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,2,0,0,0,0|0,0,2]=4 9238 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,2,0,0,0,0|1,0,0]=3 9239 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,2,0,0,0,0|1,0,0]=3 9240 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,2,0,0,0,0|1,0,0]=3 9241 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,2,0,0,0,0|1,0,0]=3 9242 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,2,0,0,0,0|0,0,0]=2 9243 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,2,0,0,0,0|0,0,0]=2 9244 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,2,0,0,0,0|2,0,0]=4 9245 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,2,0,0,0,0|1,0,1]=4 9246 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,2,0,0,0,0|2,0,0]=4 9247 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,2,0,0,0,0|2,0,0]=4 9248 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,2,0,0,0,0|2,0,0]=4 9249 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,2,0,0,0,0|2,0,0]=4 9250 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,2,0,0,0,0|2,0,0]=4 9251 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,2,0,0,0,0|2,0,0]=4 9252 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,2,0,0,0,0|2,0,0]=4 9253 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,2,0,0,0,0|2,0,0]=4 9254 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,2,0,0,0,0|2,0,0]=4 9255 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,2,0,0,0,0|2,0,0]=4 9256 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,2,0,0,0,0|2,0,0]=4 9257 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,2,0,0,0,0|2,0,0]=4 9258 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,2,0,0,0,0|2,0,0]=4 9259 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,2,0,0,0,0|2,0,0]=4 9260 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,2,0,0,0,0|2,0,0]=4 9261 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,2,0,0,0,0|2,0,0]=4 9262 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,2,0,0,0,0|1,0,1]=4 9263 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [0,2,0,0,0,0|2,0,0]=4 9264 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [0,2,0,0,0,0|2,0,0]=4 9265 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,2,0,0,0,0|1,0,0]=3 9266 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,2,0,0,0,0|1,0,0]=3 9267 B10R0.4 CCCCOCNCC(F)F 34a_100000765723_100011995733 [0,2,0,0,0,0|2,0,0]=4 9268 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [0,2,0,0,0,0|2,0,0]=4 9269 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [0,2,0,0,0,0|2,0,0]=4 9270 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [0,2,0,0,0,0|2,0,0]=4 9271 B10R0.4 CCCCOCOCC(F)F 34a_100000743014_100011995733 [0,2,0,0,0,0|2,0,0]=4 9272 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [0,2,0,0,0,0|2,0,0]=4 9273 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [0,2,0,0,0,0|2,0,0]=4 9274 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [0,2,0,0,0,0|2,0,0]=4 9275 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [0,2,0,0,0,0|2,0,0]=4 9276 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,2,0,0,0,0|1,0,0]=3 9277 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,2,0,0,0,0|1,0,0]=3 9278 B10R0.4 CCCCOCSCC(F)F 62a_100011934356_100011995733 [0,2,0,0,0,0|2,0,0]=4 9279 B10R0.4 CCCCOCSCC(F)F 62a_100011995733_100011934356 [0,2,0,0,0,0|2,0,0]=4 9280 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,2,0,0,0,0|1,0,0]=3 9281 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,2,0,0,0,0|1,0,0]=3 9282 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|0,0,2]=4 9283 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|0,0,2]=4 9284 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,2,0,0,0,0|0,0,2]=4 9285 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,2,0,0,0,0|0,0,2]=4 9286 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,2,0,0,0,0|1,0,0]=3 9287 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,2,0,0,0,0|1,0,0]=3 9288 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,2,0,0,0,0|0,0,0]=2 9289 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,2,0,0,0,0|0,0,0]=2 9290 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,2,0,0,0,0|2,0,0]=4 9291 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,2,0,0,0,0|2,0,0]=4 9292 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,2,0,0,0,0|2,0,0]=4 9293 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,2,0,0,0,0|2,0,0]=4 9294 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,2,0,0,0,0|2,0,0]=4 9295 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,2,0,0,0,0|2,0,0]=4 9296 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [0,2,0,0,0,0|2,0,0]=4 9297 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [0,2,0,0,0,0|2,0,0]=4 9298 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,2,0,0,0,0|0,0,2]=4 9299 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,2,0,0,0,0|2,0,0]=4 9300 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,2,0,0,0,0|2,0,0]=4 9301 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|1,0,1]=4 9302 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,2,0,0,0,0|1,0,0]=3 9303 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|0,0,2]=4 9304 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,2,0,0,0,0|0,0,2]=4 9305 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,2,0,0,0,0|0,0,2]=4 9306 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,2,0,0,0,0|1,0,0]=3 9307 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,2,0,0,0,0|1,0,0]=3 9308 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,2,0,0,0,0|1,0,0]=3 9309 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,2,0,0,0,0|1,0,1]=4 9310 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,2,0,0,0,0|1,0,1]=4 9311 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,2,0,0,0,0|2,0,0]=4 9312 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,2,0,0,0,0|2,0,0]=4 9313 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,2,0,0,0,0|2,0,0]=4 9314 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,2,0,0,0,0|1,0,1]=4 9315 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [0,2,0,0,0,0|2,0,0]=4 9316 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [0,2,0,0,0,0|2,0,0]=4 9317 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [0,2,0,0,0,0|2,0,0]=4 9318 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [0,2,0,0,0,0|2,0,0]=4 9319 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [0,2,0,0,0,0|2,0,0]=4 9320 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [0,2,0,0,0,0|2,0,0]=4 9321 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,2,0,0,0,0|1,0,0]=3 9322 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,2,0,0,0,0|1,0,0]=3 9323 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,2,0,0,0,0|1,0,0]=3 9324 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,2,0,0,0,0|1,0,0]=3 9325 B10R0.4 CCCOCCNCC(F)F 2230a_100161115042_100011934356 [0,2,0,0,0,0|2,0,0]=4 9326 B10R0.4 CCCOCCNCC(F)F 34a_100000765723_100011215938 [0,2,0,0,0,0|2,0,0]=4 9327 B10R0.4 CCCOCCNCC(F)F 34a_100161115042_100011934356 [0,2,0,0,0,0|2,0,0]=4 9328 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,2,0,0,0,0|1,0,0]=3 9329 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,2,0,0,0,0|1,0,0]=3 9330 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,2,0,0,0,0|2,0,0]=4 9331 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,2,0,0,0,0|2,0,0]=4 9332 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,2,0,0,0,0|2,0,0]=4 9333 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,2,0,0,0,0|2,0,0]=4 9334 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,2,0,0,0,0|2,0,0]=4 9335 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,2,0,0,0,0|2,0,0]=4 9336 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,2,0,0,0,0|2,0,0]=4 9337 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,2,0,0,0,0|1,0,0]=3 9338 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,2,0,0,0,0|1,0,0]=3 9339 B10R0.4 CCCOCCOCC(F)F 34a_100000210258_200012177212 [0,2,0,0,0,0|2,0,0]=4 9340 B10R0.4 CCCOCCOCC(F)F 34a_100000704375_100000210303 [0,2,0,0,0,0|2,0,0]=4 9341 B10R0.4 CCCOCCOCC(F)F 34a_100000743014_100011215938 [0,2,0,0,0,0|2,0,0]=4 9342 B10R0.4 CCCOCCOCC(F)F 34a_100000752267_100011934356 [0,2,0,0,0,0|2,0,0]=4 9343 B10R0.4 CCCOCCOCC(F)F 7a_100000704375_100000210303 [0,2,0,0,0,0|2,0,0]=4 9344 B10R0.4 CCCOCCOCC(F)F 7a_100000752267_100011934356 [0,2,0,0,0,0|2,0,0]=4 9345 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,2,0,0,0,0|2,0,0]=4 9346 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,2,0,0,0,0|2,0,0]=4 9347 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,2,0,0,0,0|1,0,0]=3 9348 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,2,0,0,0,0|1,0,0]=3 9349 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [0,2,0,0,0,0|2,0,0]=4 9350 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [0,2,0,0,0,0|2,0,0]=4 9351 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [0,2,0,0,0,0|2,0,0]=4 9352 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [0,2,0,0,0,0|2,0,0]=4 9353 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,2,0,0,0,0|1,0,0]=3 9354 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,2,0,0,0,0|1,0,0]=3 9355 B10R0.4 CCCOCCSCC(F)F 62a_100011215938_100011934356 [0,2,0,0,0,0|2,0,0]=4 9356 B10R0.4 CCCOCCSCC(F)F 62a_100011934356_100011215938 [0,2,0,0,0,0|2,0,0]=4 9357 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,2,0,0,0,0|1,0,0]=3 9358 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,2,0,0,0,0|1,0,0]=3 9359 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,2,0,0,0,0|1,0,0]=3 9360 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,2,0,0,0,0|1,0,0]=3 9361 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|0,0,2]=4 9362 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|0,0,2]=4 9363 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,2,0,0,0,0|1,0,0]=3 9364 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,2,0,0,0,0|1,0,0]=3 9365 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,2,0,0,0,0|2,0,0]=4 9366 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [0,2,0,0,0,0|2,0,0]=4 9367 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [0,2,0,0,0,0|2,0,0]=4 9368 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,2,0,0,0,0|1,0,0]=3 9369 B10R0.4 CCCSCCNCC(F)F 2230a_100020603323_100011934356 [0,2,0,0,0,0|2,0,0]=4 9370 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [0,2,0,0,0,0|2,0,0]=4 9372 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [0,2,0,0,0,0|2,0,0]=4 9373 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,2,0,0,0,0|1,0,0]=3 9374 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,2,0,0,0,0|1,0,0]=3 9375 B10R0.4 CCCSCCOCC(F)F 34a_200000230433_100011934356 [0,2,0,0,0,0|2,0,0]=4 9376 B10R0.4 CCCSCCOCC(F)F 62a_100000210303_200012177212 [0,2,0,0,0,0|2,0,0]=4 9377 B10R0.4 CCCSCCOCC(F)F 62a_200012177212_100000210303 [0,2,0,0,0,0|2,0,0]=4 9378 B10R0.4 CCCSCCOCC(F)F 7a_200000230433_100011934356 [0,2,0,0,0,0|2,0,0]=4 9379 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,2,0,0,0,0|1,0,0]=3 9380 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,2,0,0,0,0|1,0,0]=3 9381 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,2,0,0,0,0|1,0,0]=3 9382 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,2,0,0,0,0|0,0,2]=4 9383 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,2,0,0,0,0|1,0,0]=3 9384 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,2,0,0,0,0|1,0,0]=3 9385 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,2,0,0,0,0|1,0,0]=3 9386 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [0,2,0,0,0,0|2,0,0]=4 9387 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [0,2,0,0,0,0|2,0,0]=4 9388 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,2,0,0,0,0|1,0,0]=3 9389 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,2,0,0,0,0|0,0,2]=4 9390 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,2,0,0,0,0|0,0,2]=4 9391 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,2,0,0,0,0|0,0,2]=4 9392 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,2,0,0,0,0|0,0,2]=4 9393 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,2,0,0,0,0|1,0,0]=3 9394 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,2,0,0,0,0|1,0,0]=3 9395 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,2,0,0,0,0|1,0,0]=3 9396 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,2,0,0,0,0|2,0,0]=4 9397 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,2,0,0,0,0|1,0,1]=4 9398 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [0,2,0,0,0,0|2,0,0]=4 9399 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [0,2,0,0,0,0|2,0,0]=4 9400 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [0,2,0,0,0,0|2,0,0]=4 9401 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [0,2,0,0,0,0|2,0,0]=4 9402 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [0,2,0,0,0,0|2,0,0]=4 9403 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,2,0,0,0,0|1,0,0]=3 9404 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,2,0,0,0,0|1,0,0]=3 9405 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,2,0,0,0,0|1,0,0]=3 9406 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,2,0,0,0,0|1,0,0]=3 9407 B10R0.4 CCOCCCNCC(F)F 2230a_100000210961_100011934356 [0,2,0,0,0,0|2,0,0]=4 9408 B10R0.4 CCOCCCNCC(F)F 34a_100000210961_100011934356 [0,2,0,0,0,0|2,0,0]=4 9409 B10R0.4 CCOCCCNCC(F)F 34a_100000765723_100012232248 [0,2,0,0,0,0|2,0,0]=4 9410 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,2,0,0,0,0|1,0,0]=3 9411 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,2,0,0,0,0|1,0,0]=3 9412 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [0,2,0,0,0,0|2,0,0]=4 9413 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [0,2,0,0,0,0|2,0,0]=4 9414 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [0,2,0,0,0,0|2,0,0]=4 9415 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [0,2,0,0,0,0|2,0,0]=4 9416 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [0,2,0,0,0,0|2,0,0]=4 9417 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,2,0,0,0,0|1,0,0]=3 9418 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,2,0,0,0,0|1,0,0]=3 9419 B10R0.4 CCOCCCOCC(F)F 34a_100000743014_100012232248 [0,2,0,0,0,0|2,0,0]=4 9420 B10R0.4 CCOCCCOCC(F)F 34a_100000757476_100011934356 [0,2,0,0,0,0|2,0,0]=4 9421 B10R0.4 CCOCCCOCC(F)F 7a_100000757476_100011934356 [0,2,0,0,0,0|2,0,0]=4 9422 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [0,2,0,0,0,0|2,0,0]=4 9423 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [0,2,0,0,0,0|2,0,0]=4 9424 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,2,0,0,0,0|1,0,0]=3 9425 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,2,0,0,0,0|1,0,0]=3 9426 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,2,0,0,0,0|1,0,0]=3 9429 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,2,0,0,0,0|1,0,0]=3 9430 B10R0.4 CCOCCCSCC(F)F 62a_100011934356_100012232248 [0,2,0,0,0,0|2,0,0]=4 9431 B10R0.4 CCOCCCSCC(F)F 62a_100012232248_100011934356 [0,2,0,0,0,0|2,0,0]=4 9432 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,2,0,0,0,0|1,0,0]=3 9433 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,2,0,0,0,0|1,0,0]=3 9434 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,2,0,0,0,0|2,0,0]=4 9435 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,2,0,0,0,0|2,0,0]=4 9436 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,2,0,0,0,0|2,0,0]=4 9437 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,2,0,0,0,0|1,0,0]=3 9438 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,2,0,0,0,0|1,0,0]=3 9439 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,2,0,0,0,0|1,0,0]=3 9440 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,2,0,0,0,0|2,0,0]=4 9441 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,2,0,0,0,0|2,0,0]=4 9442 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,2,0,0,0,0|2,0,0]=4 9443 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,2,0,0,0,0|2,0,0]=4 9444 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,2,0,0,0,0|2,0,0]=4 9445 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,2,0,0,0,0|1,0,0]=3 9446 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,2,0,0,0,0|1,0,0]=3 9447 B10R0.4 CCOCCOCCC(F)F 34a_100103093639_100000210147 [0,2,0,0,0,0|2,0,0]=4 9448 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,2,0,0,0,0|2,0,0]=4 9449 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,2,0,0,0,0|2,0,0]=4 9450 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,2,0,0,0,0|2,0,0]=4 9451 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,2,0,0,0,0|1,0,0]=3 9452 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,2,0,0,0,0|1,0,0]=3 9453 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [0,2,0,0,0,0|2,0,0]=4 9454 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [0,2,0,0,0,0|2,0,0]=4 9455 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,2,0,0,0,0|1,0,0]=3 9456 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,2,0,0,0,0|1,0,0]=3 9457 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,2,0,0,0,0|1,0,0]=3 9458 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,2,0,0,0,0|1,0,0]=3 9459 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,0,0,0,0|0,0,2]=4 9460 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,0,0,0,0|0,0,2]=4 9461 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,2,0,0,0,0|1,0,0]=3 9462 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,2,0,0,0,0|1,0,0]=3 9463 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [0,2,0,0,0,0|2,0,0]=4 9464 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [0,2,0,0,0,0|2,0,0]=4 9465 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,2,0,0,0,0|1,0,0]=3 9466 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,2,0,0,0,0|1,0,0]=3 9467 B10R0.4 CCSCCCOCC(F)F 34a_100011216438_100011934356 [0,2,0,0,0,0|2,0,0]=4 9468 B10R0.4 CCSCCCOCC(F)F 7a_100011216438_100011934356 [0,2,0,0,0,0|2,0,0]=4 9469 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,2,0,0,0,0|1,0,0]=3 9470 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,2,0,0,0,0|1,0,0]=3 9471 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [0,2,0,0,0,0|2,0,0]=4 9472 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [0,2,0,0,0,0|2,0,0]=4 9473 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,2,0,0,0,0|1,0,0]=3 9474 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,2,0,0,0,0|1,0,0]=3 9475 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [0,2,0,0,0,0|2,0,0]=4 9476 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [0,2,0,0,0,0|2,0,0]=4 9477 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [0,2,0,0,0,0|2,0,0]=4 9478 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [0,2,0,0,0,0|2,0,0]=4 9479 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [0,2,0,0,0,0|2,0,0]=4 9480 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,2,0,0,0,0|1,0,0]=3 9481 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,2,0,0,0,0|1,0,0]=3 9482 B10R0.4 CCSCCOCCC(F)F 34a_100103093639_100000757381 [0,2,0,0,0,0|2,0,0]=4 9483 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [0,2,0,0,0,0|2,0,0]=4 9484 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [0,2,0,0,0,0|2,0,0]=4 9485 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [0,2,0,0,0,0|2,0,0]=4 9486 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,2,0,0,0,0|1,0,0]=3 9487 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,2,0,0,0,0|1,0,0]=3 9488 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,2,0,0,0,0|1,0,1]=4 9489 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,2,0,0,0,0|1,0,1]=4 9490 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,2,0,0,0,0|0,0,0]=2 9491 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,2,0,0,0,0|0,0,0]=2 9492 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [0,2,0,0,0,0|2,0,0]=4 9493 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,2,0,0,0,0|1,0,0]=3 9494 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [0,2,0,0,0,0|2,0,0]=4 9495 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,2,0,0,0,0|1,0,0]=3 9496 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,2,0,0,0,0|2,0,0]=4 9497 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,2,0,0,0,0|2,0,0]=4 9498 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [0,2,0,0,0,0|2,0,0]=4 9499 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [0,2,0,0,0,0|1,0,0]=3 9500 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,2,0,0,0,0|1,0,0]=3 9501 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,2,0,0,0,0|1,0,0]=3 9502 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,2,0,0,0,0|1,0,0]=3 9503 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,2,0,0,0,0|1,0,0]=3 9504 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,2,0,0,0,0|1,0,0]=3 9505 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 9506 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,2,0,0,0,0|2,0,0]=4 9507 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,2,0,0,0,0|1,0,0]=3 9508 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,2,0,0,0,0|1,0,0]=3 9509 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|0,0,1]=3 9510 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,2,0,0,0,0|1,0,0]=3 9511 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,2,0,0,0,0|1,0,0]=3 9512 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|1,0,1]=4 9513 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|1,0,1]=4 9514 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|1,0,1]=4 9515 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|1,0,1]=4 9516 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,2,0,0,0,0|1,0,0]=3 9517 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,2,0,0,0,0|1,0,0]=3 9518 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,2,0,0,0,0|1,0,0]=3 9519 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|1,0,1]=4 9520 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,2,0,0,0,0|1,0,1]=4 9521 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,2,0,0,0,0|1,0,0]=3 9522 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,2,0,0,0,0|1,0,0]=3 9523 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,2,0,0,0,0|1,0,0]=3 9524 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,2,0,0,0,0|1,0,0]=3 9525 B10R0.4 COCCCCNCC(F)F 34a_100000765723_100000755781 [0,2,0,0,0,0|2,0,0]=4 9526 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|1,0,1]=4 9527 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,2,0,0,0,0|1,0,0]=3 9528 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,2,0,0,0,0|1,0,0]=3 9529 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,2,0,0,0,0|1,0,0]=3 9530 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,2,0,0,0,0|1,0,0]=3 9531 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,2,0,0,0,0|1,0,0]=3 9532 B10R0.4 COCCCCOCC(F)F 34a_100000740925_100011934356 [0,2,0,0,0,0|2,0,0]=4 9533 B10R0.4 COCCCCOCC(F)F 34a_100000743014_100000755781 [0,2,0,0,0,0|2,0,0]=4 9534 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,2,0,0,0,0|1,0,0]=3 9535 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,2,0,0,0,0|1,0,0]=3 9536 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,2,0,0,0,0|1,0,0]=3 9537 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,2,0,0,0,0|1,0,0]=3 9538 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,2,0,0,0,0|1,0,0]=3 9539 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,2,0,0,0,0|1,0,0]=3 9540 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,2,0,0,0,0|1,0,0]=3 9541 B10R0.4 COCCCCSCC(F)F 62a_100000730899_100011934356 [0,2,0,0,0,0|2,0,0]=4 9542 B10R0.4 COCCCCSCC(F)F 62a_100011934356_100000730899 [0,2,0,0,0,0|2,0,0]=4 9543 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,2,0,0,0,0|1,0,0]=3 9544 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,2,0,0,0,0|1,0,0]=3 9545 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,2,0,0,0,0|1,0,0]=3 9546 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,2,0,0,0,0|1,0,0]=3 9547 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,2,0,0,0,0|1,0,0]=3 9548 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,2,0,0,0,0|1,0,0]=3 9549 B10R0.4 COCCCNCOC(C)C 34a_100150723488_100000709892 [0,2,0,0,0,0|2,0,0]=4 9550 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|1,0,1]=4 9551 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|1,0,1]=4 9552 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,2,0,0,0,0|1,0,0]=3 9553 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,2,0,0,0,0|1,0,0]=3 9554 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,2,0,0,0,0|1,0,0]=3 9555 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,2,0,0,0,0|1,0,0]=3 9556 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,2,0,0,0,0|1,0,0]=3 9557 B10R0.4 COCCCOCCC(F)F 34a_100103093639_100000740836 [0,2,0,0,0,0|2,0,0]=4 9558 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,2,0,0,0,0|1,0,0]=3 9559 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [0,2,0,0,0,0|2,0,0]=4 9560 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|1,0,1]=4 9561 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|1,0,1]=4 9562 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,2,0,0,0,0|1,0,0]=3 9563 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,2,0,0,0,0|1,0,0]=3 9564 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,2,0,0,0,0|1,0,0]=3 9565 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,2,0,0,0,0|1,0,0]=3 9566 B10R0.4 COCCCSCCN(C)C 62a_100000709357_100000755713 [0,2,0,0,0,0|2,0,0]=4 9567 B10R0.4 COCCCSCOC(C)C 62a_100000709357_100000709892 [0,2,0,0,0,0|2,0,0]=4 9568 B10R0.4 COCCCSCOC(C)C 62a_100000709892_100000709357 [0,2,0,0,0,0|2,0,0]=4 9569 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,2,0,0,0,0|1,0,0]=3 9570 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,2,0,0,0,0|1,0,0]=3 9571 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,2,0,0,0,0|1,0,0]=3 9572 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,2,0,0,0,0|1,0,0]=3 9573 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,2,0,0,0,0|2,0,0]=4 9574 B10R0.4 COCCNCCOC(C)C 2230a_100000209980_100000211751 [0,2,0,0,0,0|2,0,0]=4 9575 B10R0.4 COCCNCCOC(C)C 2230a_100000701111_100011201679 [0,2,0,0,0,0|2,0,0]=4 9576 B10R0.4 COCCNCCOC(C)C 34a_100000701111_100011201679 [0,2,0,0,0,0|2,0,0]=4 9577 B10R0.4 COCCNCCSC(C)C 2230a_100000209980_100000730970 [0,2,0,0,0,0|2,0,0]=4 9578 B10R0.4 COCCNCCSC(C)C 2230a_100000731138_100011201679 [0,2,0,0,0,0|2,0,0]=4 9579 B10R0.4 COCCNCCSC(C)C 34a_100000731138_100011201679 [0,2,0,0,0,0|2,0,0]=4 9580 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|1,0,1]=4 9581 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|1,0,1]=4 9582 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|1,0,1]=4 9583 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|1,0,1]=4 9584 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,2,0,0,0,0|1,0,0]=3 9585 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,2,0,0,0,0|1,0,0]=3 9586 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,2,0,0,0,0|1,0,0]=3 9587 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,2,0,0,0,0|1,0,0]=3 9588 B10R0.4 COCCOCCCN(C)C 2230a_100102631434_100011216529 [0,2,0,0,0,0|2,0,0]=4 9589 B10R0.4 COCCOCCCN(C)C 269982a_100102631434_100011216529 [0,2,0,0,0,0|2,0,0]=4 9590 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [0,2,0,0,0,0|2,0,0]=4 9591 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [0,2,0,0,0,0|2,0,0]=4 9592 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [0,2,0,0,0,0|2,0,0]=4 9593 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [0,2,0,0,0,0|2,0,0]=4 9594 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [0,2,0,0,0,0|2,0,0]=4 9595 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [0,2,0,0,0,0|2,0,0]=4 9596 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [0,2,0,0,0,0|2,0,0]=4 9597 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [0,2,0,0,0,0|2,0,0]=4 9598 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [0,2,0,0,0,0|2,0,0]=4 9599 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [0,2,0,0,0,0|2,0,0]=4 9600 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [0,2,0,0,0,0|2,0,0]=4 9601 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [0,2,0,0,0,0|2,0,0]=4 9602 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [0,2,0,0,0,0|2,0,0]=4 9603 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [0,2,0,0,0,0|2,0,0]=4 9604 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [0,2,0,0,0,0|2,0,0]=4 9605 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [0,2,0,0,0,0|2,0,0]=4 9606 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [0,2,0,0,0,0|2,0,0]=4 9607 B10R0.4 COCCOCNCC(C)O 2230a_100000210904_100000231047 [0,2,0,0,0,0|2,0,0]=4 9608 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [0,2,0,0,0,0|2,0,0]=4 9609 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [0,2,0,0,0,0|2,0,0]=4 9610 B10R0.4 COCCOCSCC(C)O 62a_100000231047_100011218427 [0,2,0,0,0,0|2,0,0]=4 9611 B10R0.4 COCCOCSCC(C)O 62a_100011218427_100000231047 [0,2,0,0,0,0|2,0,0]=4 9612 B10R0.4 COCCOCSC[C@@H](C)O 62a_100000231047_100009817552 [0,2,0,0,0,0|2,0,0]=4 9613 B10R0.4 COCCOCSC[C@@H](C)O 62a_100009817552_100000231047 [0,2,0,0,0,0|2,0,0]=4 9614 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|1,0,1]=4 9615 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|1,0,1]=4 9616 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,2,0,0,0,0|1,0,0]=3 9617 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,2,0,0,0,0|1,0,0]=3 9618 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,2,0,0,0,0|1,0,0]=3 9619 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,2,0,0,0,0|1,0,0]=3 9620 B10R0.4 COCCSCCCN(C)C 62a_100000233755_100000757444 [0,2,0,0,0,0|2,0,0]=4 9621 B10R0.4 COCCSCCOC(C)C 62a_100000211751_100000233755 [0,2,0,0,0,0|2,0,0]=4 9622 B10R0.4 COCCSCCOC(C)C 62a_100000233755_100000211751 [0,2,0,0,0,0|2,0,0]=4 9623 B10R0.4 COCCSCCSC(C)C 62a_100000233755_100000730970 [0,2,0,0,0,0|2,0,0]=4 9624 B10R0.4 COCCSCCSC(C)C 62a_100000730970_100000233755 [0,2,0,0,0,0|2,0,0]=4 9625 B10R0.4 COCNCCCOC(C)C 2230a_100000737246_100000766300 [0,2,0,0,0,0|2,0,0]=4 9626 B10R0.4 COCSCCCCB(O)O 62a_100000766300_200009817182 [0,2,0,0,0,0|2,0,0]=4 9627 B10R0.4 COCSCCCCB(O)O 62a_200009817182_100000766300 [0,2,0,0,0,0|2,0,0]=4 9628 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|1,0,1]=4 9629 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|1,0,1]=4 9630 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,2,0,0,0,0|1,0,0]=3 9631 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,2,0,0,0,0|1,0,0]=3 9632 B10R0.4 COCSCCCCN(C)C 62a_100000766300_100000690147 [0,2,0,0,0,0|2,0,0]=4 9633 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,2,0,0,0,0|2,0,0]=4 9634 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,2,0,0,0,0|1,0,0]=3 9635 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,2,0,0,0,0|1,0,0]=3 9636 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,2,0,0,0,0|1,0,0]=3 9637 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,2,0,0,0,0|1,1,0]=4 9638 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,2,0,0,0,0|1,1,0]=4 9639 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,2,0,0,0,0|1,0,0]=3 9640 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,2,0,0,0,0|1,0,0]=3 9641 B10R0.4 CSCCCCOCC(F)F 34a_100011217163_100011934356 [0,2,0,0,0,0|2,0,0]=4 9642 B10R0.4 CSCCCCOCC(F)F 7a_100011217163_100011934356 [0,2,0,0,0,0|2,0,0]=4 9643 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,2,0,0,0,0|1,0,0]=3 9644 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,2,0,0,0,0|1,0,0]=3 9645 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,2,0,0,0,0|1,1,0]=4 9646 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,2,0,0,0,0|1,1,0]=4 9647 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,2,0,0,0,0|1,0,0]=3 9648 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,2,0,0,0,0|1,1,0]=4 9649 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,2,0,0,0,0|1,1,0]=4 9650 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,2,0,0,0,0|1,0,0]=3 9651 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,2,0,0,0,0|1,0,0]=3 9652 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,2,0,0,0,0|1,1,0]=4 9653 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,2,0,0,0,0|1,1,0]=4 9654 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,2,0,0,0,0|1,1,0]=4 9655 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,2,0,0,0,0|1,0,0]=3 9656 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,2,0,0,0,0|1,1,0]=4 9657 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,2,0,0,0,0|1,1,0]=4 9658 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,2,0,0,0,0|1,1,0]=4 9659 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,2,0,0,0,0|1,1,0]=4 9660 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,2,0,0,0,0|1,0,0]=3 9661 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,2,0,0,0,0|1,0,0]=3 9662 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,2,0,0,0,0|1,1,0]=4 9663 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,2,0,0,0,0|1,1,0]=4 9664 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,2,0,0,0,0|1,0,0]=3 9665 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,2,0,0,0,0|1,0,0]=3 9666 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,2,0,0,0,0|1,1,0]=4 9667 B10R0.4 CSCSCCCCB(O)O 62a_100011218213_200009817182 [0,2,0,0,0,0|2,0,0]=4 9668 B10R0.4 CSCSCCCCB(O)O 62a_200009817182_100011218213 [0,2,0,0,0,0|2,0,0]=4 9669 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,2,0,0,0,0|1,1,0]=4 9670 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,2,0,0,0,0|1,1,0]=4 9671 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,2,0,0,0,0|1,0,0]=3 9672 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,2,0,0,0,0|0,0,0]=2 9673 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,2,0,0,0,0|1,0,0]=3 9674 B10R0.4 C[C@@H](N)CCOCC#CCO 34a_100000706166_200000047223 [0,2,0,0,0,0|0,0,2]=4 9675 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|1,0,0]=3 9676 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|0,0,0]=2 9677 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,2,0,0,0,0|1,0,0]=3 9678 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,2,0,0,0,0|0,0,0]=2 9679 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,2,0,0,0,0|1,0,0]=3 9680 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,2,0,0,0,0|0,0,0]=2 9681 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,2,0,0,0,0|0,0,0]=2 9682 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,2,0,0,0,0|1,0,0]=3 9683 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,2,0,0,0,0|1,0,0]=3 9684 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,2,0,0,0,0|1,0,0]=3 9685 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,2,0,0,0,0|1,0,0]=3 9686 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,2,0,0,0,0|1,0,0]=3 9687 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,2,0,0,0,0|1,0,0]=3 9688 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,2,0,0,0,0|1,0,0]=3 9689 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,2,0,0,0,0|1,0,0]=3 9690 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,2,0,0,0,0|1,0,0]=3 9691 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,2,0,0,0,0|1,0,0]=3 9692 B10R0.4 C[C@@H](O)COCCOCCBr 34a_100000692535_100009817552 [0,2,0,0,0,0|2,0,0]=4 9693 B10R0.4 C[C@@H](O)COCCOCCBr 7a_100000692535_100009817552 [0,2,0,0,0,0|2,0,0]=4 9694 B10R0.4 C[C@@H](O)COCCOCCCl 34a_100011215305_100009817552 [0,2,0,0,0,0|2,0,0]=4 9695 B10R0.4 C[C@@H](O)COCCOCCCl 7a_100011215305_100009817552 [0,2,0,0,0,0|2,0,0]=4 9696 B10R0.4 C[C@@H](O)COCCOCCF 34a_200015357709_100009817552 [0,2,0,0,0,0|2,0,0]=4 9697 B10R0.4 C[C@@H](O)COCCOCCF 7a_200015357709_100009817552 [0,2,0,0,0,0|2,0,0]=4 9698 B10R0.4 C[C@@H](O)COCCOCCI 34a_100012149058_100009817552 [0,2,0,0,0,0|2,0,0]=4 9699 B10R0.4 C[C@@H](O)COCCOCCI 7a_100012149058_100009817552 [0,2,0,0,0,0|2,0,0]=4 9700 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [0,2,0,0,0,0|2,0,0]=4 9701 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100009817552_100000211819 [0,2,0,0,0,0|1,0,1]=4 9702 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100011219923_100009817552 [0,2,0,0,0,0|1,0,1]=4 9703 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,2,0,0,0,0|0,0,2]=4 9704 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,2,0,0,0,0|0,0,2]=4 9705 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,2,0,0,0,0|1,0,0]=3 9706 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,2,0,0,0,0|1,0,0]=3 9707 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,2,0,0,0,0|0,0,0]=2 9708 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,2,0,0,0,0|0,0,0]=2 9709 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,2,0,0,0,0|1,0,0]=3 9710 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,2,0,0,0,0|1,0,0]=3 9711 B10R0.4 FC(F)COCCCCCBr 34a_100000746331_100011934356 [0,2,0,0,0,0|2,0,0]=4 9712 B10R0.4 FC(F)COCCCCCBr 7a_100000746331_100011934356 [0,2,0,0,0,0|2,0,0]=4 9713 B10R0.4 FC(F)COCCCCCCl 34a_100000746330_100011934356 [0,2,0,0,0,0|2,0,0]=4 9714 B10R0.4 FC(F)COCCCCCCl 7a_100000746330_100011934356 [0,2,0,0,0,0|2,0,0]=4 9715 B10R0.4 FC(F)COCCCCCI 34a_200012148887_100011934356 [0,2,0,0,0,0|2,0,0]=4 9716 B10R0.4 FC(F)COCCCCCI 7a_200012148887_100011934356 [0,2,0,0,0,0|2,0,0]=4 9717 B10R0.4 FCCCCCNCC(F)F 34a_100000765723_100000729378 [0,2,0,0,0,0|2,0,0]=4 9718 B10R0.4 FCCCCCOCC(F)F 34a_100000743014_100000729378 [0,2,0,0,0,0|2,0,0]=4 9719 B10R0.4 FCCCCCSCC(F)F 62a_100000729378_100011934356 [0,2,0,0,0,0|2,0,0]=4 9720 B10R0.4 FCCCCCSCC(F)F 62a_100011934356_100000729378 [0,2,0,0,0,0|2,0,0]=4 9721 B10R0.4 FCCCCOCCC(F)F 34a_100103093639_100000729493 [0,2,0,0,0,0|2,0,0]=4 9722 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,2,0,0,0,0|1,0,1]=4 9723 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,2,0,0,0,0|1,0,1]=4 9724 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,2,0,0,0,0|1,0,1]=4 9725 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,2,0,0,0,0|1,0,1]=4 9726 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,2,0,0,0,0|1,0,1]=4 9727 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,2,0,0,0,0|1,0,1]=4 9728 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,2,0,0,0,0|1,0,1]=4 9729 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,1]=4 9730 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,2,0,0,0,0|1,0,1]=4 9731 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,2,0,0,0,0|1,0,1]=4 9732 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,2,0,0,0,0|1,0,1]=4 9733 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,2,0,0,0,0|1,0,1]=4 9734 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,2,0,0,0,0|1,0,1]=4 9735 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,2,0,0,0,0|1,0,1]=4 9736 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,1]=4 9737 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,2,0,0,0,0|1,0,1]=4 9738 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,2,0,0,0,0|1,0,1]=4 9739 B10R0.4 NCCCCCOCC(F)F 34a_100000762737_100011934356 [0,2,0,0,0,0|2,0,0]=4 9740 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,2,0,0,0,0|2,0,0]=4 9741 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,2,0,0,0,0|1,0,1]=4 9742 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,2,0,0,0,0|1,0,1]=4 9743 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,2,0,0,0,0|1,0,1]=4 9744 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,2,0,0,0,0|1,0,1]=4 9745 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,2,0,0,0,0|1,0,1]=4 9746 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,2,0,0,0,0|2,0,0]=4 9747 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,2,0,0,0,0|2,0,0]=4 9748 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,2,0,0,0,0|2,0,0]=4 9749 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,2,0,0,0,0|2,0,0]=4 9750 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,2,0,0,0,0|2,0,0]=4 9751 B10R0.4 OB(O)CCCCCSCF 62a_100015361967_200009817188 [0,2,0,0,0,0|2,0,0]=4 9752 B10R0.4 OB(O)CCCCCSCF 62a_200009817188_100015361967 [0,2,0,0,0,0|2,0,0]=4 9753 B10R0.4 OB(O)CCCCNCCF 34a_100000724931_200009817182 [0,2,0,0,0,0|2,0,0]=4 9754 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,2,0,0,0,0|2,0,0]=4 9755 B10R0.4 OB(O)CCCCSCCF 62a_100011217306_200009817182 [0,2,0,0,0,0|2,0,0]=4 9756 B10R0.4 OB(O)CCCCSCCF 62a_200009817182_100011217306 [0,2,0,0,0,0|2,0,0]=4 9757 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [0,2,0,0,0,0|1,0,0]=3 9758 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [0,2,0,0,0,0|1,0,0]=3 9759 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [0,2,0,0,0,0|1,0,0]=3 9760 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [0,2,0,0,0,0|1,0,0]=3 9761 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [0,2,0,0,0,0|1,0,0]=3 9762 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [0,2,0,0,0,0|1,0,0]=3 9763 B10R0.4 OCCCCOCCC(F)F 34a_100103093639_100011216708 [0,2,0,0,0,0|1,0,0]=3 9764 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,2,0,0,0,0|2,0,0]=4 9765 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,2,0,0,0,0|2,0,0]=4 9766 B10R0.4 OCCNCCOCC(F)F 2230a_100016997473_200012177212 [0,2,0,0,0,0|2,0,0]=4 9767 B10R0.4 OCCNCCOCC(F)F 34a_100016990907_200012177212 [0,2,0,0,0,0|2,0,0]=4 9768 B10R0.4 OCCOCCNCC(F)F 2230a_100000211614_100011934356 [0,2,0,0,0,0|2,0,0]=4 9769 B10R0.4 OCCOCCNCC(F)F 34a_100000211614_100011934356 [0,2,0,0,0,0|2,0,0]=4 9770 B10R0.4 OCCOCCNCC(F)F 34a_100000765723_100000692535 [0,2,0,0,0,0|2,0,0]=4 9771 B10R0.4 OCCOCCOCC(F)F 34a_100000704375_100000211926 [0,2,0,0,0,0|2,0,0]=4 9772 B10R0.4 OCCOCCOCC(F)F 34a_100000743014_100000692535 [0,2,0,0,0,0|2,0,0]=4 9773 B10R0.4 OCCOCCOCC(F)F 7a_100000704375_100000211926 [0,2,0,0,0,0|2,0,0]=4 9774 B10R0.4 OCCOCCSCC(F)F 62a_100011215305_100011934356 [0,2,0,0,0,0|2,0,0]=4 9775 B10R0.4 OCCOCCSCC(F)F 62a_100011934356_100011215305 [0,2,0,0,0,0|2,0,0]=4 9776 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,2,0,0,0,0|2,0,0]=4 9777 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,2,0,0,0,0|2,0,0]=4 9778 B10R0.4 OCCSCCNCC(F)F 2230a_100011219999_100011934356 [0,2,0,0,0,0|2,0,0]=4 9779 B10R0.4 OCCSCCOCC(F)F 62a_100000211926_200012177212 [0,2,0,0,0,0|2,0,0]=4 9780 B10R0.4 OCCSCCOCC(F)F 62a_200012177212_100000211926 [0,2,0,0,0,0|2,0,0]=4 9781 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|0,0,0]=2 9782 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|1,0,1]=4 9783 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,2,0,0,0,0|1,0,0]=3 9784 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,2,0,0,0,0|1,0,0]=3 9785 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|0,0,2]=4 9786 B10R0.6 C=C(C)CN(C)CCCCO 2230a_100000225649_100000210776 [0,2,0,0,0,0|1,0,1]=4 9787 B10R0.6 C=C(C)CN(C)CCCCO 2230a_100000717598_100000748629 [0,2,0,0,0,0|1,0,1]=4 9788 B10R0.6 C=C(C)CN(C)CCCCO 269982a_100000225649_100000210776 [0,2,0,0,0,0|1,0,1]=4 9789 B10R0.6 C=C(C)CN(C)CCCCO 269982a_100000717598_100000748629 [0,2,0,0,0,0|1,0,1]=4 9790 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|1,0,1]=4 9791 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|0,0,1]=3 9792 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|0,0,1]=3 9793 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,2,0,0,0,0|1,0,1]=4 9794 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,2,0,0,0,0|1,0,1]=4 9795 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,2,0,0,0,0|1,0,1]=4 9796 B10R0.6 CC(C)CC(C)NCCCF 2230a_100000692259_100011934791 [0,2,0,0,0,0|2,0,0]=4 9797 B10R0.6 CC(C)CC(C)NCCCF 2230a_100015189416_100000731052 [0,2,0,0,0,0|2,0,0]=4 9798 B10R0.6 CC(C)CC(C)NCCCF 34a_100015189416_100000731052 [0,2,0,0,0,0|2,0,0]=4 9799 B10R0.6 CC(C)CC(C)NCCCO 2230a_100000692259_100000230001 [0,2,0,0,0,0|1,0,0]=3 9800 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [0,2,0,0,0,0|2,0,0]=4 9801 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [0,2,0,0,0,0|2,0,0]=4 9802 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [0,2,0,0,0,0|2,0,0]=4 9803 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [0,2,0,0,0,0|2,0,0]=4 9804 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [0,2,0,0,0,0|2,0,0]=4 9805 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [0,2,0,0,0,0|2,0,0]=4 9806 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [0,2,0,0,0,0|1,0,0]=3 9807 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [0,2,0,0,0,0|1,0,0]=3 9808 B10R0.6 CC(C)CC(C)SCCCF 62a_100000731052_100011934791 [0,2,0,0,0,0|2,0,0]=4 9809 B10R0.6 CC(C)CC(C)SCCCF 62a_100011934791_100000731052 [0,2,0,0,0,0|2,0,0]=4 9810 B10R0.6 CC(C)CC(C)SCCCO 62a_100000731052_100011215043 [0,2,0,0,0,0|1,0,0]=3 9811 B10R0.6 CC(C)CC(C)SCCCO 62a_100011215043_100000731052 [0,2,0,0,0,0|1,0,0]=3 9812 B10R0.6 CC(C)CN(C)CCCCF 2230a_100000747067_100000729493 [0,2,0,0,0,0|2,0,0]=4 9813 B10R0.6 CC(C)CN(C)CCCCF 269982a_100000747067_100000729493 [0,2,0,0,0,0|2,0,0]=4 9814 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000717598_100000210760 [0,2,0,0,0,0|1,0,0]=3 9815 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000747067_100000210776 [0,2,0,0,0,0|1,0,0]=3 9816 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000717598_100000210624 [0,2,0,0,0,0|1,0,0]=3 9817 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000747067_100000210776 [0,2,0,0,0,0|1,0,0]=3 9818 B10R0.6 CC(C)CN(C)CCCCO 270004a_100000717598_100000210432 [0,2,0,0,0,0|1,0,0]=3 9819 B10R0.6 CC(C)C[C@H](N)CCOCF 34a_100161151251_100015361967 [0,2,0,0,0,0|2,0,0]=4 9820 B10R0.6 CC(C)C[C@H](N)COCCF 34a_100011830311_100011217306 [0,2,0,0,0,0|2,0,0]=4 9821 B10R0.6 CC(C)C[C@H](N)COCCO 34a_100011830311_100000211926 [0,2,0,0,0,0|1,0,0]=3 9822 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,2,0,0,0,0|1,0,1]=4 9823 B10R0.6 CC(CN(C)C)SCCCO 62a_100011215043_100020606517 [0,2,0,0,0,0|2,0,0]=4 9824 B10R0.6 CC(CN(C)C)SCCCO 62a_100020606517_100011215043 [0,2,0,0,0,0|2,0,0]=4 9825 B10R0.6 CC(CNCCO)CN(C)C 2230a_100016997473_100015348159 [0,2,0,0,0,0|2,0,0]=4 9826 B10R0.6 CC(CSCCO)CN(C)C 62a_100000211926_100015348159 [0,2,0,0,0,0|2,0,0]=4 9827 B10R0.6 CC(CSCCO)CN(C)C 62a_100015348159_100000211926 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|0,0,1]=3 9829 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,2,0,0,0,0|1,0,1]=4 9830 B10R0.6 CC(O)CN(C)CCCCF 2230a_100000227577_100000729493 [0,2,0,0,0,0|2,0,0]=4 9831 B10R0.6 CC(O)CN(C)CCCCF 269982a_100000227577_100000729493 [0,2,0,0,0,0|2,0,0]=4 9832 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000227577_100000210776 [0,2,0,0,0,0|1,0,0]=3 9833 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000717598_100011218427 [0,2,0,0,0,0|1,0,0]=3 9834 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000227577_100000210776 [0,2,0,0,0,0|1,0,0]=3 9835 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000717598_100011218427 [0,2,0,0,0,0|1,0,0]=3 9836 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|1,0,1]=4 9837 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|1,0,1]=4 9838 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,1]=3 9839 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|1,0,1]=4 9840 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,1]=3 9841 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,2,0,0,0,0|2,0,0]=4 9842 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,2,0,0,0,0|2,0,0]=4 9843 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,2,0,0,0,0|2,0,0]=4 9844 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,2,0,0,0,0|2,0,0]=4 9845 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,2,0,0,0,0|2,0,0]=4 9846 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,2,0,0,0,0|2,0,0]=4 9847 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,2,0,0,0,0|2,0,0]=4 9848 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,2,0,0,0,0|2,0,0]=4 9849 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,2,0,0,0,0|1,0,1]=4 9850 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,2,0,0,0,0|2,0,0]=4 9851 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,2,0,0,0,0|2,0,0]=4 9852 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,2,0,0,0,0|2,0,0]=4 9853 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,2,0,0,0,0|2,0,0]=4 9854 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,2,0,0,0,0|2,0,0]=4 9855 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,2,0,0,0,0|1,0,0]=3 9856 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,2,0,0,0,0|1,0,0]=3 9857 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,2,0,0,0,0|1,0,0]=3 9858 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,2,0,0,0,0|1,0,0]=3 9859 B10R0.6 CCCCCN(C)CC(F)F 2230a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 9860 B10R0.6 CCCCCN(C)CC(F)F 269982a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 9861 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,2,0,0,0,0|1,0,0]=3 9862 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,2,0,0,0,0|1,0,0]=3 9863 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|1,0,1]=4 9864 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [0,2,0,0,0,0|2,0,0]=4 9865 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [0,2,0,0,0,0|2,0,0]=4 9866 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [0,2,0,0,0,0|2,0,0]=4 9867 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,2,0,0,0,0|2,0,0]=4 9868 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,2,0,0,0,0|2,0,0]=4 9869 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,2,0,0,0,0|2,0,0]=4 9870 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,2,0,0,0,0|2,0,0]=4 9871 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [0,2,0,0,0,0|2,0,0]=4 9872 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [0,2,0,0,0,0|2,0,0]=4 9873 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|1,0,1]=4 9874 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|1,0,1]=4 9875 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,2,0,0,0,0|2,0,0]=4 9876 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|1,0,1]=4 9877 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|1,0,1]=4 9878 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|1,0,1]=4 9879 B10R0.6 CCOCCN(C)CC(C)O 2230a_100000227577_100011215890 [0,2,0,0,0,0|2,0,0]=4 9880 B10R0.6 CCOCCN(C)CC(C)O 269982a_100000227577_100011215890 [0,2,0,0,0,0|2,0,0]=4 9881 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,2,0,0,0,0|2,0,0]=4 9882 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|1,0,1]=4 9883 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|1,0,1]=4 9884 B10R0.6 CCSCCN(C)CC(C)O 2230a_100000227577_100000757381 [0,2,0,0,0,0|2,0,0]=4 9885 B10R0.6 CCSCCN(C)CC(C)O 269982a_100000227577_100000757381 [0,2,0,0,0,0|2,0,0]=4 9886 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,2,0,0,0,0|1,0,1]=4 9887 B10R0.6 CN(CCCCO)CC(F)F 2230a_100000717598_100011934356 [0,2,0,0,0,0|2,0,0]=4 9888 B10R0.6 CN(CCCCO)CC(F)F 269982a_100000717598_100011934356 [0,2,0,0,0,0|2,0,0]=4 9889 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|1,0,1]=4 9890 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|1,0,1]=4 9891 B10R0.6 COCCCN(C)CC(C)O 2230a_100000224831_100011218427 [0,2,0,0,0,0|2,0,0]=4 9892 B10R0.6 COCCCN(C)CC(C)O 2230a_100000227577_100000740836 [0,2,0,0,0,0|2,0,0]=4 9893 B10R0.6 COCCCN(C)CC(C)O 269982a_100000224831_100011218427 [0,2,0,0,0,0|2,0,0]=4 9894 B10R0.6 COCCCN(C)CC(C)O 269982a_100000227577_100000740836 [0,2,0,0,0,0|2,0,0]=4 9895 B10R0.6 COCCCN(C)C[C@@H](C)O 2230a_100000224831_100009817552 [0,2,0,0,0,0|2,0,0]=4 9896 B10R0.6 COCCCN(C)C[C@@H](C)O 269982a_100000224831_100009817552 [0,2,0,0,0,0|2,0,0]=4 9897 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|1,0,1]=4 9898 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|1,0,1]=4 9899 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|0,0,1]=3 9900 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,2,0,0,0,0|1,0,1]=4 9901 B10R0.6 C[C@@H](O)CN(C)CCCCO 2230a_100000717598_100009817552 [0,2,0,0,0,0|1,0,0]=3 9902 B10R0.6 C[C@@H](O)CN(C)CCCCO 269982a_100000717598_100009817552 [0,2,0,0,0,0|1,0,0]=3 9903 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,2,0,0,0,0|1,0,1]=4 9904 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [0,2,0,0,0,0|1,0,1]=4 9905 B10R0.22 CC(C)(C)CCNCCCF 2230a_100000738805_100011934791 [0,2,0,0,0,0|2,0,0]=4 9906 B10R0.22 CC(C)(C)CCNCCCF 2230a_100015189416_100000755188 [0,2,0,0,0,0|2,0,0]=4 9907 B10R0.22 CC(C)(C)CCNCCCF 34a_100015189416_100000755188 [0,2,0,0,0,0|2,0,0]=4 9908 B10R0.22 CC(C)(C)CCNCCCO 2230a_100000738805_100000230001 [0,2,0,0,0,0|1,0,0]=3 9909 B10R0.22 CC(C)(C)CCOCCCBr 34a_100011217188_100000755188 [0,2,0,0,0,0|2,0,0]=4 9910 B10R0.22 CC(C)(C)CCOCCCCl 34a_100000230001_100000755188 [0,2,0,0,0,0|2,0,0]=4 9911 B10R0.22 CC(C)(C)CCOCCCF 34a_100000759539_100000755188 [0,2,0,0,0,0|2,0,0]=4 9912 B10R0.22 CC(C)(C)CCOCCCF 7a_100000765024_100011934791 [0,2,0,0,0,0|2,0,0]=4 9913 B10R0.22 CC(C)(C)CCOCCCN 34a_100000182051_100000755188 [0,2,0,0,0,0|2,0,0]=4 9914 B10R0.22 CC(C)(C)CCOCCCO 7a_100000765024_100011215043 [0,2,0,0,0,0|1,0,0]=3 9915 B10R0.22 CC(C)(C)CCSCCCF 62a_100000755188_100011934791 [0,2,0,0,0,0|2,0,0]=4 9916 B10R0.22 CC(C)(C)CCSCCCF 62a_100011934791_100000755188 [0,2,0,0,0,0|2,0,0]=4 9917 B10R0.22 CC(C)(C)CCSCCCO 62a_100000755188_100011215043 [0,2,0,0,0,0|1,0,0]=3 9918 B10R0.22 CC(C)(C)CCSCCCO 62a_100011215043_100000755188 [0,2,0,0,0,0|1,0,0]=3 9919 B10R0.22 CC(C)(C)CNCCCCF 2230a_100000743828_100000729493 [0,2,0,0,0,0|2,0,0]=4 9920 B10R0.22 CC(C)(C)CNCCCCO 2230a_100000743828_100000210776 [0,2,0,0,0,0|1,0,0]=3 9921 B10R0.22 CC(C)(C)CNCCCCO 270004a_100000750430_100011204126 [0,2,0,0,0,0|1,0,0]=3 9922 B10R0.22 CC(C)(C)CNCCCCO 34a_100000750430_100011219605 [0,2,0,0,0,0|1,0,0]=3 9923 B10R0.22 CC(C)(C)COCCCCBr 34a_100011216708_100011219605 [0,2,0,0,0,0|2,0,0]=4 9924 B10R0.22 CC(C)(C)COCCCCCl 34a_100000210776_100011219605 [0,2,0,0,0,0|2,0,0]=4 9925 B10R0.22 CC(C)(C)COCCCCF 34a_100011995726_100011219605 [0,2,0,0,0,0|2,0,0]=4 9926 B10R0.22 CC(C)(C)COCCCCI 34a_200012148704_100011219605 [0,2,0,0,0,0|2,0,0]=4 9927 B10R0.22 CC(C)(C)COCCCCN 34a_100000750430_100011219605 [0,2,0,0,0,0|2,0,0]=4 9928 B10R0.22 CC(C)(C)CSCCCCF 62a_100000729493_100011219605 [0,2,0,0,0,0|2,0,0]=4 9929 B10R0.22 CC(C)(C)CSCCCCF 62a_100011219605_100000729493 [0,2,0,0,0,0|2,0,0]=4 9930 B10R0.22 CC(C)(C)CSCCCCO 62a_100000210776_100011219605 [0,2,0,0,0,0|1,0,0]=3 9931 B10R0.22 CC(C)(C)CSCCCCO 62a_100011219605_100000210776 [0,2,0,0,0,0|1,0,0]=3 9932 B10R0.22 CC(C)(C)NCCCCCF 2230a_100000715429_100000729378 [0,2,0,0,0,0|2,0,0]=4 9933 B10R0.22 CC(C)(C)NCCCCCO 2230a_100000715429_100000746330 [0,2,0,0,0,0|1,0,0]=3 9934 B10R0.22 CC(C)(C)NCCCCCO 34a_100000762737_100000210625 [0,2,0,0,0,0|1,0,0]=3 9935 B10R0.22 CC(C)(C)NCCOCCO 2230a_100000715429_100011215305 [0,2,0,0,0,0|2,0,0]=4 9936 B10R0.22 CC(C)(C)NCCOCCO 34a_100000211614_100000210625 [0,2,0,0,0,0|2,0,0]=4 9937 B10R0.22 CC(C)(C)OCCCCCBr 34a_100000746331_100000210625 [0,2,0,0,0,0|2,0,0]=4 9938 B10R0.22 CC(C)(C)OCCCCCCl 34a_100000746330_100000210625 [0,2,0,0,0,0|2,0,0]=4 9939 B10R0.22 CC(C)(C)OCCCCCF 34a_100015890283_100000729378 [0,2,0,0,0,0|2,0,0]=4 9940 B10R0.22 CC(C)(C)OCCCCCF 7a_100015890283_100000729378 [0,2,0,0,0,0|2,0,0]=4 9941 B10R0.22 CC(C)(C)OCCCCCI 34a_200012148887_100000210625 [0,2,0,0,0,0|2,0,0]=4 9942 B10R0.22 CC(C)(C)OCCCCCN 34a_100000762737_100000210625 [0,2,0,0,0,0|2,0,0]=4 9943 B10R0.22 CC(C)(C)OCCCCCO 34a_100015890283_100000746330 [0,2,0,0,0,0|1,0,0]=3 9944 B10R0.22 CC(C)(C)OCCCCCO 7a_100015890283_100000746330 [0,2,0,0,0,0|1,0,0]=3 9945 B10R0.22 CC(C)(C)OCCNCCO 2230a_100000747557_100000211926 [0,2,0,0,0,0|2,0,0]=4 9946 B10R0.22 CC(C)(C)OCCOCCO 34a_100000693234_100000211926 [0,2,0,0,0,0|2,0,0]=4 9947 B10R0.22 CC(C)(C)OCCOCCO 34a_100015890283_100000692535 [0,2,0,0,0,0|2,0,0]=4 9948 B10R0.22 CC(C)(C)OCCOCCO 7a_100000693234_100000211926 [0,2,0,0,0,0|2,0,0]=4 9949 B10R0.22 CC(C)(C)OCCOCCO 7a_100015890283_100011215305 [0,2,0,0,0,0|2,0,0]=4 9950 B10R0.22 CC(C)(C)SCCCCCF 62a_100000211941_100000729378 [0,2,0,0,0,0|2,0,0]=4 9951 B10R0.22 CC(C)(C)SCCCCCF 62a_100000729378_100000211941 [0,2,0,0,0,0|2,0,0]=4 9952 B10R0.22 CC(C)(C)SCCCCCO 62a_100000211941_100000746330 [0,2,0,0,0,0|1,0,0]=3 9953 B10R0.22 CC(C)(C)SCCCCCO 62a_100000746330_100000211941 [0,2,0,0,0,0|1,0,0]=3 9954 B10R0.22 CC(C)(C)SCCNCCO 2230a_100000689375_100000211926 [0,2,0,0,0,0|2,0,0]=4 9955 B10R0.22 CC(C)(C)SCCOCCO 62a_100000211941_100011215305 [0,2,0,0,0,0|2,0,0]=4 9956 B10R0.22 CC(C)(C)SCCOCCO 62a_100011215305_100000211941 [0,2,0,0,0,0|2,0,0]=4 9957 B10R0.22 CC(C)(F)CCNCCCF 2230a_100016253952_100011934791 [0,2,0,0,0,0|2,0,0]=4 9958 B10R0.22 CC(C)(F)CCNCCCO 2230a_100016253952_100000230001 [0,2,0,0,0,0|1,0,0]=3 9959 B10R0.22 CC(C)(F)CNCCCCF 2230a_100020643315_100000729493 [0,2,0,0,0,0|2,0,0]=4 9960 B10R0.22 CC(C)(F)CNCCCCO 2230a_100020643315_100000210776 [0,2,0,0,0,0|1,0,0]=3 9961 B10R0.22 CC(C)(F)CNCCCCO 34a_100000750430_100011997219 [0,2,0,0,0,0|1,0,0]=3 9962 B10R0.22 CC(C)(F)COCCCCBr 34a_100011216708_100011997219 [0,2,0,0,0,0|2,0,0]=4 9963 B10R0.22 CC(C)(F)COCCCCCl 34a_100000210776_100011997219 [0,2,0,0,0,0|2,0,0]=4 9964 B10R0.22 CC(C)(F)COCCCCF 34a_100000716592_100000729493 [0,2,0,0,0,0|2,0,0]=4 9965 B10R0.22 CC(C)(F)COCCCCF 34a_100011995726_100011997219 [0,2,0,0,0,0|2,0,0]=4 9966 B10R0.22 CC(C)(F)COCCCCI 34a_200012148704_100011997219 [0,2,0,0,0,0|2,0,0]=4 9967 B10R0.22 CC(C)(F)COCCCCN 34a_100000750430_100011997219 [0,2,0,0,0,0|2,0,0]=4 9968 B10R0.22 CC(C)(F)COCCCCO 34a_100000716592_100011216708 [0,2,0,0,0,0|1,0,0]=3 9969 B10R0.22 CC(C)(F)CSCCCCF 62a_100000729493_100011997219 [0,2,0,0,0,0|2,0,0]=4 9970 B10R0.22 CC(C)(F)CSCCCCF 62a_100011997219_100000729493 [0,2,0,0,0,0|2,0,0]=4 9971 B10R0.22 CC(C)(F)CSCCCCO 62a_100000210776_100011997219 [0,2,0,0,0,0|1,0,0]=3 9972 B10R0.22 CC(C)(F)CSCCCCO 62a_100011997219_100000210776 [0,2,0,0,0,0|1,0,0]=3 9973 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [0,2,0,0,0,0|1,0,0]=3 9974 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [0,2,0,0,0,0|1,0,0]=3 9975 B10R0.22 CC(C)(O)CCCNCCF 34a_100000724931_100009888830 [0,2,0,0,0,0|2,0,0]=4 9976 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [0,2,0,0,0,0|1,0,0]=3 9977 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [0,2,0,0,0,0|1,0,0]=3 9978 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [0,2,0,0,0,0|2,0,0]=4 9979 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [0,2,0,0,0,0|2,0,0]=4 9980 B10R0.22 CC(C)(O)CCCSCCF 62a_100009888830_100011217306 [0,2,0,0,0,0|2,0,0]=4 9981 B10R0.22 CC(C)(O)CCCSCCF 62a_100011217306_100009888830 [0,2,0,0,0,0|2,0,0]=4 9982 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [0,2,0,0,0,0|1,0,0]=3 9983 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [0,2,0,0,0,0|1,0,0]=3 9984 B10R0.22 CC(C)(O)CCNCCCF 2230a_100015189416_100000702414 [0,2,0,0,0,0|2,0,0]=4 9985 B10R0.22 CC(C)(O)CCNCCCF 34a_100015189416_100000702414 [0,2,0,0,0,0|2,0,0]=4 9986 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [0,2,0,0,0,0|2,0,0]=4 9987 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [0,2,0,0,0,0|2,0,0]=4 9988 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [0,2,0,0,0,0|2,0,0]=4 9989 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [0,2,0,0,0,0|2,0,0]=4 9990 B10R0.22 CC(C)(O)CCSCCCF 62a_100000702414_100011934791 [0,2,0,0,0,0|2,0,0]=4 9991 B10R0.22 CC(C)(O)CCSCCCF 62a_100011934791_100000702414 [0,2,0,0,0,0|2,0,0]=4 9992 B10R0.22 CC(C)(O)CCSCCCO 62a_100000702414_100011215043 [0,2,0,0,0,0|1,0,0]=3 9993 B10R0.22 CC(C)(O)CCSCCCO 62a_100011215043_100000702414 [0,2,0,0,0,0|1,0,0]=3 9994 B10R0.22 CC(C)(O)CNCCCCF 2230a_100000751335_100000729493 [0,2,0,0,0,0|2,0,0]=4 9995 B10R0.22 CC(C)(O)CNCCCCO 2230a_100000751335_100000210776 [0,2,0,0,0,0|1,0,0]=3 9996 B10R0.22 CC(C)(O)CNCCCCO 34a_100000750430_100000764493 [0,2,0,0,0,0|1,0,0]=3 9997 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [0,2,0,0,0,0|2,0,0]=4 9998 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [0,2,0,0,0,0|2,0,0]=4 9999 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [0,2,0,0,0,0|2,0,0]=4 10000 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [0,2,0,0,0,0|2,0,0]=4 10001 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [0,2,0,0,0,0|2,0,0]=4 10002 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [0,2,0,0,0,0|2,0,0]=4 10003 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [0,2,0,0,0,0|2,0,0]=4 10004 B10R0.22 CC(C)(O)CSCCCCF 62a_100000729493_100000764493 [0,2,0,0,0,0|2,0,0]=4 10005 B10R0.22 CC(C)(O)CSCCCCF 62a_100000764493_100000729493 [0,2,0,0,0,0|2,0,0]=4 10006 B10R0.22 CC(C)(O)CSCCCCO 62a_100000210776_100000764493 [0,2,0,0,0,0|1,0,0]=3 10007 B10R0.22 CC(C)(O)CSCCCCO 62a_100000764493_100000210776 [0,2,0,0,0,0|1,0,0]=3 10008 B10R0.22 CC(F)(F)COCCCCF 34a_100000068830_100000729493 [0,2,0,0,0,0|2,0,0]=4 10009 B10R0.22 CC(F)(F)COCCCCO 34a_100000068830_100011216708 [0,2,0,0,0,0|1,0,0]=3 10010 B10R0.22 CCCCCCNC(C)(C)C 2230a_100000715429_100000210314 [0,2,0,0,0,0|2,0,0]=4 10011 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [0,2,0,0,0,0|2,0,0]=4 10012 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [0,2,0,0,0,0|2,0,0]=4 10013 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [0,2,0,0,0,0|2,0,0]=4 10014 B10R0.22 CCCCCCOC(F)(F)F 34a_100000210259_200103152311 [0,2,0,0,0,0|2,0,0]=4 10015 B10R0.22 CCCCCCOC(F)(F)F 7a_100000210259_200000243211 [0,2,0,0,0,0|2,0,0]=4 10016 B10R0.22 CCCCCCSC(C)(C)C 62a_100000210314_100000211941 [0,2,0,0,0,0|2,0,0]=4 10017 B10R0.22 CCCCCCSC(C)(C)C 62a_100000211941_100000210757 [0,2,0,0,0,0|2,0,0]=4 10018 B10R0.22 CCCCCCSC(F)(F)F 62a_100000210314_200103152311 [0,2,0,0,0,0|2,0,0]=4 10019 B10R0.22 CCCCCCSC(F)(F)F 62a_200000243211_100000210757 [0,2,0,0,0,0|2,0,0]=4 10020 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [0,2,0,0,0,0|2,0,0]=4 10021 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [0,2,0,0,0,0|2,0,0]=4 10022 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [0,2,0,0,0,0|2,0,0]=4 10023 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [0,2,0,0,0,0|1,0,0]=3 10024 B10R0.22 CCCCCNCC(F)(F)F 2230a_100000209983_100000763148 [0,2,0,0,0,0|2,0,0]=4 10025 B10R0.22 CCCCCNCC(F)(F)F 34a_100000717047_100000718602 [0,2,0,0,0,0|2,0,0]=4 10026 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [0,2,0,0,0,0|2,0,0]=4 10027 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [0,2,0,0,0,0|2,0,0]=4 10028 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [0,2,0,0,0,0|2,0,0]=4 10029 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [0,2,0,0,0,0|1,0,0]=3 10030 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [0,2,0,0,0,0|1,0,0]=3 10031 B10R0.22 CCCCCOCC(C)(F)F 34a_100000068830_100000718602 [0,2,0,0,0,0|2,0,0]=4 10032 B10R0.22 CCCCCOCC(F)(F)Br 34a_100011217949_100000718602 [0,2,0,0,0,0|2,0,0]=4 10033 B10R0.22 CCCCCOCC(F)(F)Cl 34a_100000734434_100000718602 [0,2,0,0,0,0|2,0,0]=4 10034 B10R0.22 CCCCCOCC(F)(F)F 34a_100000210435_100000718602 [0,2,0,0,0,0|2,0,0]=4 10035 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [0,2,0,0,0,0|2,0,0]=4 10036 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [0,2,0,0,0,0|2,0,0]=4 10037 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [0,2,0,0,0,0|2,0,0]=4 10038 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [0,2,0,0,0,0|2,0,0]=4 10039 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [0,2,0,0,0,0|1,0,0]=3 10040 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [0,2,0,0,0,0|1,0,0]=3 10041 B10R0.22 CCCCCSCC(F)(F)F 62a_100000210326_100000763148 [0,2,0,0,0,0|2,0,0]=4 10042 B10R0.22 CCCCCSCC(F)(F)F 62a_100000763148_100000210326 [0,2,0,0,0,0|2,0,0]=4 10043 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [0,2,0,0,0,0|2,0,0]=4 10044 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [0,2,0,0,0,0|2,0,0]=4 10045 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [0,2,0,0,0,0|2,0,0]=4 10046 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [0,2,0,0,0,0|2,0,0]=4 10047 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [0,2,0,0,0,0|1,0,0]=3 10048 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [0,2,0,0,0,0|1,0,0]=3 10049 B10R0.22 CCCCNCCC(F)(F)F 2230a_100000740434_100000210211 [0,2,0,0,0,0|2,0,0]=4 10050 B10R0.22 CCCCNCCC(F)(F)F 34a_100000740434_100000210210 [0,2,0,0,0,0|2,0,0]=4 10051 B10R0.22 CCCCNCCC(F)(F)F 7a_106832991798_100011219754 [0,2,0,0,0,0|2,0,0]=4 10052 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [0,2,0,0,0,0|2,0,0]=4 10053 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [0,2,0,0,0,0|2,0,0]=4 10054 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [0,2,0,0,0,0|2,0,0]=4 10055 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [0,2,0,0,0,0|1,0,0]=3 10056 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [0,2,0,0,0,0|1,0,0]=3 10057 B10R0.22 CCCCOCCC(F)(F)F 34a_100000210227_100011219754 [0,2,0,0,0,0|2,0,0]=4 10058 B10R0.22 CCCCOCCC(F)(F)F 34a_100000752437_100000210210 [0,2,0,0,0,0|2,0,0]=4 10059 B10R0.22 CCCCOCCC(F)(F)F 7a_100000210227_100011219754 [0,2,0,0,0,0|2,0,0]=4 10060 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [0,2,0,0,0,0|2,0,0]=4 10061 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [0,2,0,0,0,0|2,0,0]=4 10062 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [0,2,0,0,0,0|1,0,0]=3 10063 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [0,2,0,0,0,0|1,0,0]=3 10064 B10R0.22 CCCCSCCC(F)(F)F 62a_100000210211_100011219754 [0,2,0,0,0,0|2,0,0]=4 10065 B10R0.22 CCCCSCCC(F)(F)F 62a_100011219754_100000210210 [0,2,0,0,0,0|2,0,0]=4 10066 B10R0.22 CCCNCCCC(F)(F)F 2230a_100000727188_100000210303 [0,2,0,0,0,0|2,0,0]=4 10067 B10R0.22 CCCNCCCC(F)(F)F 34a_100000727188_100000210303 [0,2,0,0,0,0|2,0,0]=4 10068 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [0,2,0,0,0,0|1,0,0]=3 10069 B10R0.22 CCCOCCCC(F)(F)F 34a_100000210258_100011215983 [0,2,0,0,0,0|2,0,0]=4 10070 B10R0.22 CCCOCCCC(F)(F)F 34a_100000749235_100000210303 [0,2,0,0,0,0|2,0,0]=4 10071 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [0,2,0,0,0,0|1,0,0]=3 10072 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [0,2,0,0,0,0|1,0,0]=3 10073 B10R0.22 CCCSCCCC(F)(F)F 62a_100000210303_100011216173 [0,2,0,0,0,0|2,0,0]=4 10074 B10R0.22 CCCSCCCC(F)(F)F 62a_100011216173_100000210303 [0,2,0,0,0,0|2,0,0]=4 10075 B10R0.22 CCNCCCCC(F)(F)F 2230a_100015525214_100000692467 [0,2,0,0,0,0|2,0,0]=4 10076 B10R0.22 CCOCCCCC(F)(F)F 34a_100000749236_100000210202 [0,2,0,0,0,0|2,0,0]=4 10077 B10R0.22 CCOCCCCC(F)(F)F 34a_100121572206_100000692467 [0,2,0,0,0,0|2,0,0]=4 10078 B10R0.22 CCOCCCCC(F)(F)F 7a_100000749236_100000210202 [0,2,0,0,0,0|2,0,0]=4 10079 B10R0.22 CCOCCNCC(C)(C)O 2230a_100000751335_100011215890 [0,2,0,0,0,0|2,0,0]=4 10080 B10R0.22 CCOCCNCC(C)(C)O 34a_102516460346_100000764493 [0,2,0,0,0,0|2,0,0]=4 10081 B10R0.22 CCOCCOCC(C)(C)O 34a_100000210136_100000764493 [0,2,0,0,0,0|2,0,0]=4 10082 B10R0.22 CCOCCOCC(C)(C)O 7a_100000210136_100000764493 [0,2,0,0,0,0|2,0,0]=4 10083 B10R0.22 CCOCCSCC(C)(C)O 62a_100000210147_100000764493 [0,2,0,0,0,0|2,0,0]=4 10084 B10R0.22 CCOCCSCC(C)(C)O 62a_100000764493_100011215890 [0,2,0,0,0,0|2,0,0]=4 10085 B10R0.22 CCOCSCCC(C)(C)O 62a_100000702414_100000739092 [0,2,0,0,0,0|2,0,0]=4 10086 B10R0.22 CCOCSCCC(C)(C)O 62a_100000739092_100000702414 [0,2,0,0,0,0|2,0,0]=4 10087 B10R0.22 CCSCCCCC(F)(F)F 62a_100000210202_100000692467 [0,2,0,0,0,0|2,0,0]=4 10088 B10R0.22 CCSCCCCC(F)(F)F 62a_100000692467_100000210202 [0,2,0,0,0,0|2,0,0]=4 10089 B10R0.22 CCSCCNCC(C)(C)O 2230a_100000751335_100000757381 [0,2,0,0,0,0|2,0,0]=4 10090 B10R0.22 CCSCCOCC(C)(C)O 34a_100000212035_100000764493 [0,2,0,0,0,0|2,0,0]=4 10091 B10R0.22 CCSCCOCC(C)(C)O 7a_100000212035_100000764493 [0,2,0,0,0,0|2,0,0]=4 10092 B10R0.22 CCSCCSCC(C)(C)O 62a_100000757381_100000764493 [0,2,0,0,0,0|2,0,0]=4 10093 B10R0.22 CCSCCSCC(C)(C)O 62a_100000764493_100000757381 [0,2,0,0,0,0|2,0,0]=4 10094 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,2,0,0,0,0|1,0,0]=3 10095 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,2,0,0,0,0|1,0,0]=3 10096 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,2,0,0,0,0|1,0,0]=3 10097 B10R0.22 CNCCCCCC(F)(F)F 2230a_106832991635_100010187589 [0,2,0,0,0,0|2,0,0]=4 10098 B10R0.22 CNCCCCCC(F)(F)F 34a_100102657272_100010187589 [0,2,0,0,0,0|2,0,0]=4 10099 B10R0.22 CNCCCCCC(F)(F)F 7a_106832991635_100010187589 [0,2,0,0,0,0|2,0,0]=4 10100 B10R0.22 CNCCCOCC(C)(C)O 34a_100000213112_100000764493 [0,2,0,0,0,0|2,0,0]=4 10101 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,2,0,0,0,0|1,0,0]=3 10102 B10R0.22 COCCCCCC(F)(F)F 34a_100138415774_100010187589 [0,2,0,0,0,0|2,0,0]=4 10103 B10R0.22 COCCCNCC(C)(C)O 2230a_100000751335_100000740836 [0,2,0,0,0,0|2,0,0]=4 10104 B10R0.22 COCCCNCC(C)(C)O 34a_100150723488_100000764493 [0,2,0,0,0,0|2,0,0]=4 10105 B10R0.22 COCCCOCC(C)(C)O 34a_100000740835_100000764493 [0,2,0,0,0,0|2,0,0]=4 10106 B10R0.22 COCCCSCC(C)(C)O 62a_100000709357_100000764493 [0,2,0,0,0,0|2,0,0]=4 10107 B10R0.22 COCCCSCC(C)(C)O 62a_100000764493_100000709357 [0,2,0,0,0,0|2,0,0]=4 10108 B10R0.22 COCCNCCC(C)(C)O 2230a_100000209980_100000702414 [0,2,0,0,0,0|2,0,0]=4 10109 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [0,2,0,0,0,0|2,0,0]=4 10110 B10R0.22 COCCSCCC(C)(C)O 62a_100000233755_100000702414 [0,2,0,0,0,0|2,0,0]=4 10111 B10R0.22 COCCSCCC(C)(C)O 62a_100000702414_100000233755 [0,2,0,0,0,0|2,0,0]=4 10112 B10R0.22 COCSCCCC(C)(C)O 62a_100000766300_100009888830 [0,2,0,0,0,0|2,0,0]=4 10113 B10R0.22 COCSCCCC(C)(C)O 62a_100009888830_100000766300 [0,2,0,0,0,0|2,0,0]=4 10114 B10R0.22 CS(=O)(=O)CCCNCCO 2230a_100000742409_100000211926 [0,2,0,0,0,0|2,0,0]=4 10115 B10R0.22 CS(=O)(=O)CCCNCCO 2230a_100016997473_100000754308 [0,2,0,0,0,0|2,0,0]=4 10116 B10R0.22 CS(=O)(=O)CCCNCCO 34a_100000742409_100000211926 [0,2,0,0,0,0|2,0,0]=4 10117 B10R0.22 CS(=O)(=O)CCCNCCO 34a_100016990907_100000754308 [0,2,0,0,0,0|2,0,0]=4 10118 B10R0.22 CS(=O)(=O)CCCOCCO 34a_100000689940_100000211926 [0,2,0,0,0,0|2,0,0]=4 10119 B10R0.22 CS(=O)(=O)CCCOCCO 7a_100000689940_100000211926 [0,2,0,0,0,0|2,0,0]=4 10120 B10R0.22 CS(=O)(=O)CCCSCCO 62a_100000211926_100000754308 [0,2,0,0,0,0|2,0,0]=4 10121 B10R0.22 CS(=O)(=O)CCCSCCO 62a_100000754308_100000211926 [0,2,0,0,0,0|2,0,0]=4 10122 B10R0.22 CS(=O)(=O)CCNCCCO 2230a_100000740961_100000230001 [0,2,0,0,0,0|2,0,0]=4 10123 B10R0.22 CS(=O)(=O)CCNCCCO 34a_100000740961_100000230001 [0,2,0,0,0,0|2,0,0]=4 10124 B10R0.22 CS(=O)(=O)CCOCCCO 34a_100000211924_100000230001 [0,2,0,0,0,0|2,0,0]=4 10125 B10R0.22 CS(=O)(=O)CCOCCCO 7a_100000211924_100011215043 [0,2,0,0,0,0|2,0,0]=4 10126 B10R0.22 CS(=O)(=O)CCSCCCO 62a_100000731031_100011215043 [0,2,0,0,0,0|2,0,0]=4 10127 B10R0.22 CS(=O)(=O)CCSCCCO 62a_100011215043_100000230027 [0,2,0,0,0,0|2,0,0]=4 10128 B10R0.22 CS(=O)(=O)NCCCCCO 40a_100000762737_100000738038 [0,2,0,0,0,0|2,0,0]=4 10129 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [0,2,0,0,0,0|1,0,0]=3 10130 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [0,2,0,0,0,0|1,0,0]=3 10131 B10R0.22 CSCCCCCC(F)(F)F 62a_100010187589_200000210301 [0,2,0,0,0,0|2,0,0]=4 10132 B10R0.22 CSCCCCCC(F)(F)F 62a_200000210301_100010187589 [0,2,0,0,0,0|2,0,0]=4 10133 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [0,2,0,0,0,0|2,0,0]=4 10134 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [0,2,0,0,0,0|2,0,0]=4 10135 B10R0.22 CSCCNCCC(C)(C)O 2230a_100020590264_100000702414 [0,2,0,0,0,0|2,0,0]=4 10136 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [0,2,0,0,0,0|2,0,0]=4 10137 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [0,2,0,0,0,0|2,0,0]=4 10138 B10R0.22 CSCCSCCC(C)(C)O 62a_100000212216_100000702414 [0,2,0,0,0,0|2,0,0]=4 10139 B10R0.22 CSCCSCCC(C)(C)O 62a_100000702414_100000751147 [0,2,0,0,0,0|2,0,0]=4 10140 B10R0.22 CSCSCCCC(C)(C)O 62a_100009888830_100011218213 [0,2,0,0,0,0|2,0,0]=4 10141 B10R0.22 CSCSCCCC(C)(C)O 62a_100011218213_100009888830 [0,2,0,0,0,0|2,0,0]=4 10142 B10R0.22 C[N+](C)(C)CCCNCCO 2230a_100016997473_100016990835 [0,2,0,0,0,0|2,0,0]=4 10143 B10R0.22 C[N+](C)(C)CCCNCCO 34a_100016990907_100016990835 [0,2,0,0,0,0|2,0,0]=4 10144 B10R0.22 C[N+](C)(C)CCCSCCO 62a_100000211926_100016990835 [0,2,0,0,0,0|2,0,0]=4 10145 B10R0.22 C[N+](C)(C)CCCSCCO 62a_100016990835_100000211926 [0,2,0,0,0,0|2,0,0]=4 10146 B10R0.22 C[N+](C)(C)CCOCCCO 7a_200020618287_100011215043 [0,2,0,0,0,0|2,0,0]=4 10147 B10R0.22 C[N+](C)(C)CCSCCCO 62a_100000085578_100011215043 [0,2,0,0,0,0|2,0,0]=4 10148 B10R0.22 C[N+](C)(C)CCSCCCO 62a_100011215043_100000085578 [0,2,0,0,0,0|2,0,0]=4 10149 B10R0.22 C[N+](C)(C)CSCCCCO 62a_100000210776_200000036245 [0,2,0,0,0,0|2,0,0]=4 10150 B10R0.22 C[N+](C)(C)CSCCCCO 62a_200000036245_100000210776 [0,2,0,0,0,0|2,0,0]=4 10151 B10R0.22 C[Si](C)(C)CCCNCCO 2230a_100016997473_100011219597 [0,2,0,0,0,0|1,1,0]=4 10152 B10R0.22 C[Si](C)(C)CCCNCCO 34a_100016990907_100011219597 [0,2,0,0,0,0|1,1,0]=4 10153 B10R0.22 C[Si](C)(C)CCCOCCO 7a_200011215415_100000211926 [0,2,0,0,0,0|1,1,0]=4 10154 B10R0.22 C[Si](C)(C)CCCSCCO 62a_100000211926_100011219597 [0,2,0,0,0,0|1,1,0]=4 10155 B10R0.22 C[Si](C)(C)CCCSCCO 62a_100011219597_100000211926 [0,2,0,0,0,0|1,1,0]=4 10156 B10R0.22 C[Si](C)(C)CCOCCCO 7a_100000039746_100011215043 [0,2,0,0,0,0|1,1,0]=4 10157 B10R0.22 C[Si](C)(C)CCSCCCO 62a_100011215043_200000733723 [0,2,0,0,0,0|1,1,0]=4 10158 B10R0.22 C[Si](C)(C)CCSCCCO 62a_200000733723_100011215043 [0,2,0,0,0,0|1,1,0]=4 10159 B10R0.22 C[Si](C)(C)CNCCCCO 2230a_100000750430_100000037933 [0,2,0,0,0,0|1,1,0]=4 10160 B10R0.22 C[Si](C)(C)CSCCCCO 62a_100000037933_100000210776 [0,2,0,0,0,0|1,1,0]=4 10161 B10R0.22 C[Si](C)(C)CSCCCCO 62a_100000210776_100000037933 [0,2,0,0,0,0|1,1,0]=4 10162 B10R0.22 OCCCCCNC(F)(F)F 34a_100000762737_200103152311 [0,2,0,0,0,0|2,0,0]=4 10163 B10R0.22 OCCCCCSC(F)(F)F 62a_100000746330_200103152311 [0,2,0,0,0,0|2,0,0]=4 10164 B10R0.22 OCCCCCSC(F)(F)F 62a_200000243211_100000746330 [0,2,0,0,0,0|2,0,0]=4 10165 B10R0.22 OCCCCNCC(F)(F)F 2230a_100000750430_100000763148 [0,2,0,0,0,0|2,0,0]=4 10166 B10R0.22 OCCCCNCC(F)(F)F 34a_100000717047_100011216708 [0,2,0,0,0,0|2,0,0]=4 10167 B10R0.22 OCCCCOCC(F)(F)Br 34a_100011217949_100011216708 [0,2,0,0,0,0|2,0,0]=4 10168 B10R0.22 OCCCCOCC(F)(F)Cl 34a_100000734434_100011216708 [0,2,0,0,0,0|2,0,0]=4 10169 B10R0.22 OCCCCOCC(F)(F)F 34a_100000210435_100011216708 [0,2,0,0,0,0|2,0,0]=4 10170 B10R0.22 OCCCCSCC(F)(F)F 62a_100000210776_100000763148 [0,2,0,0,0,0|2,0,0]=4 10171 B10R0.22 OCCCCSCC(F)(F)F 62a_100000763148_100000210776 [0,2,0,0,0,0|2,0,0]=4 10172 B10R0.22 OCCCNCCC(F)(F)F 2230a_100000740434_100000230001 [0,2,0,0,0,0|2,0,0]=4 10173 B10R0.22 OCCCNCCC(F)(F)F 34a_100000740434_100000230001 [0,2,0,0,0,0|2,0,0]=4 10174 B10R0.22 OCCCOCCC(F)(F)F 34a_100000752437_100000230001 [0,2,0,0,0,0|2,0,0]=4 10175 B10R0.22 OCCCSCCC(F)(F)F 62a_100011215043_100011219754 [0,2,0,0,0,0|2,0,0]=4 10176 B10R0.22 OCCCSCCC(F)(F)F 62a_100011219754_100011215043 [0,2,0,0,0,0|2,0,0]=4 10177 B10R0.22 OCCNCCCC(F)(F)F 2230a_100000727188_100000211926 [0,2,0,0,0,0|2,0,0]=4 10178 B10R0.22 OCCNCCCC(F)(F)F 2230a_100016997473_100011215983 [0,2,0,0,0,0|2,0,0]=4 10179 B10R0.22 OCCNCCCC(F)(F)F 34a_100000727188_100000211926 [0,2,0,0,0,0|2,0,0]=4 10180 B10R0.22 OCCNCCCC(F)(F)F 34a_100016990907_100011215983 [0,2,0,0,0,0|2,0,0]=4 10181 B10R0.22 OCCOCCCC(F)(F)F 34a_100000749235_100000211926 [0,2,0,0,0,0|2,0,0]=4 10182 B10R0.22 OCCSCCCC(F)(F)F 62a_100000211926_100011216173 [0,2,0,0,0,0|2,0,0]=4 10183 B10R0.22 OCCSCCCC(F)(F)F 62a_100011216173_100000211926 [0,2,0,0,0,0|2,0,0]=4 10184 B10R0.22 [13CH3]SCCCCCC(F)(F)F 62a_100010187589_200025704644 [0,2,0,0,0,0|2,0,0]=4 10185 B10R0.22 [13CH3]SCCCCCC(F)(F)F 62a_200025704644_100010187589 [0,2,0,0,0,0|2,0,0]=4 10186 B10R0.55 C=C(C)CCNCC(C)CO 34a_100000744482_100000730704 [0,2,0,0,0,0|1,0,1]=4 10187 B10R0.55 C=C(C)CCNC[C@@H](F)CO 34a_100015665980_100000730704 [0,2,0,0,0,0|1,0,1]=4 10188 B10R0.55 C=C(C)CCNC[C@H](O)CO 2230a_100020644852_100000730704 [0,2,0,0,0,0|1,0,1]=4 10189 B10R0.55 C=C(C)CCOCC(O)CO 34a_100000764851_100011219619 [0,2,0,0,0,0|1,0,1]=4 10190 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [0,2,0,0,0,0|1,0,1]=4 10191 B10R0.55 C=C(C)CCOC[C@@H](O)CO 34a_100000764851_100009815848 [0,2,0,0,0,0|1,0,1]=4 10192 B10R0.55 C=C(C)CCSCC(O)CO 62a_100000730704_100011219619 [0,2,0,0,0,0|1,0,1]=4 10193 B10R0.55 C=C(C)CCSCC(O)CO 62a_100011219619_100000730704 [0,2,0,0,0,0|1,0,1]=4 10194 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000059175_100000730704 [0,2,0,0,0,0|1,0,1]=4 10195 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000730704_100000059175 [0,2,0,0,0,0|1,0,1]=4 10196 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100000730704_100009815848 [0,2,0,0,0,0|1,0,1]=4 10197 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100009815848_100000730704 [0,2,0,0,0,0|1,0,1]=4 10198 B10R0.55 C=C(C)CNCCC(C)CO 2230a_106354213184_100000748629 [0,2,0,0,0,0|1,0,1]=4 10199 B10R0.55 C=C(C)CNCCC(C)CO 34a_106354213184_100000748629 [0,2,0,0,0,0|1,0,1]=4 10200 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|0,0,2]=4 10201 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,2,0,0,0,0|1,0,1]=4 10202 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,2,0,0,0,0|1,0,1]=4 10203 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,2,0,0,0,0|1,0,1]=4 10204 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,2,0,0,0,0|1,0,1]=4 10205 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,2,0,0,0,0|1,0,1]=4 10206 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,2,0,0,0,0|1,0,1]=4 10207 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,2,0,0,0,0|1,0,1]=4 10208 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,2,0,0,0,0|1,0,1]=4 10209 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,2,0,0,0,0|1,0,1]=4 10210 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,2,0,0,0,0|1,0,1]=4 10211 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,2,0,0,0,0|1,0,1]=4 10212 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,2,0,0,0,0|1,0,1]=4 10213 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,2,0,0,0,0|1,0,1]=4 10214 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,2,0,0,0,0|1,0,1]=4 10215 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,2,0,0,0,0|1,0,1]=4 10216 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,2,0,0,0,0|1,0,1]=4 10217 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,2,0,0,0,0|1,0,1]=4 10218 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [0,2,0,0,0,0|1,0,0]=3 10219 B10R0.55 CC(Br)CCOC[C@@H](C)CO 34a_100009893172_100000059175 [0,2,0,0,0,0|1,0,0]=3 10220 B10R0.55 CC(Br)CCOC[C@@H](O)CF 34a_100009893172_100015614560 [0,2,0,0,0,0|2,0,0]=4 10221 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [0,2,0,0,0,0|1,0,0]=3 10222 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|1,0,1]=4 10223 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|0,0,1]=3 10224 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|1,0,1]=4 10225 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|1,0,1]=4 10226 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,2,0,0,0,0|1,0,0]=3 10227 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,2,0,0,0,0|1,0,0]=3 10228 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,2,0,0,0,0|1,0,0]=3 10229 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [0,2,0,0,0,0|2,0,0]=4 10230 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [0,2,0,0,0,0|2,0,0]=4 10231 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [0,2,0,0,0,0|2,0,0]=4 10232 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,2,0,0,0,0|1,0,0]=3 10233 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,2,0,0,0,0|1,0,0]=3 10234 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,2,0,0,0,0|1,0,0]=3 10235 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,2,0,0,0,0|1,0,0]=3 10236 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,2,0,0,0,0|1,0,0]=3 10237 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,2,0,0,0,0|1,0,0]=3 10238 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,2,0,0,0,0|1,0,0]=3 10239 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [0,2,0,0,0,0|1,0,0]=3 10240 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [0,2,0,0,0,0|1,0,0]=3 10241 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,2,0,0,0,0|1,0,0]=3 10242 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,2,0,0,0,0|1,0,0]=3 10243 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [0,2,0,0,0,0|2,0,0]=4 10244 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [0,2,0,0,0,0|2,0,0]=4 10245 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,2,0,0,0,0|1,0,0]=3 10246 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,2,0,0,0,0|1,0,0]=3 10247 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,2,0,0,0,0|1,0,0]=3 10248 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,2,0,0,0,0|1,0,0]=3 10249 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,2,0,0,0,0|2,0,0]=4 10250 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,2,0,0,0,0|2,0,0]=4 10251 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,2,0,0,0,0|1,0,0]=3 10252 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,2,0,0,0,0|1,0,0]=3 10253 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [0,2,0,0,0,0|2,0,0]=4 10254 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,2,0,0,0,0|1,0,0]=3 10255 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,2,0,0,0,0|1,0,0]=3 10256 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [0,2,0,0,0,0|1,0,0]=3 10257 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [0,2,0,0,0,0|1,0,0]=3 10258 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,2,0,0,0,0|2,0,0]=4 10259 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,2,0,0,0,0|2,0,0]=4 10260 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,2,0,0,0,0|1,0,0]=3 10261 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,2,0,0,0,0|1,0,0]=3 10262 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [0,2,0,0,0,0|1,0,0]=3 10263 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [0,2,0,0,0,0|1,0,0]=3 10264 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [0,2,0,0,0,0|1,0,0]=3 10265 B10R0.55 CC(C)NCCOC(C)CO 34a_100000224655_100012180447 [0,2,0,0,0,0|2,0,0]=4 10266 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [0,2,0,0,0,0|2,0,0]=4 10267 B10R0.55 CC(C)OCCN[C@H](C)CO 2230a_100000737577_100000211751 [0,2,0,0,0,0|2,0,0]=4 10268 B10R0.55 CC(C)OCCOC(C)CO 34a_100000211219_100012180447 [0,2,0,0,0,0|2,0,0]=4 10269 B10R0.55 CC(C)OCCOC(C)CO 7a_100000211219_100012180447 [0,2,0,0,0,0|2,0,0]=4 10270 B10R0.55 CC(C)OCCSC(C)CO 62a_100012180447_100000211751 [0,2,0,0,0,0|2,0,0]=4 10271 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100000211751_100016084084 [0,2,0,0,0,0|2,0,0]=4 10272 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100016084084_100000211751 [0,2,0,0,0,0|2,0,0]=4 10273 B10R0.55 CC(C)OCNC[C@@H](F)CO 34a_100015665980_100000709892 [0,2,0,0,0,0|2,0,0]=4 10274 B10R0.55 CC(C)OCNC[C@H](O)CO 2230a_100020644852_100000709892 [0,2,0,0,0,0|2,0,0]=4 10275 B10R0.55 CC(C)OCSCC(O)CO 62a_100000709892_100011219619 [0,2,0,0,0,0|2,0,0]=4 10276 B10R0.55 CC(C)OCSCC(O)CO 62a_100011219619_100000709892 [0,2,0,0,0,0|2,0,0]=4 10277 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000059175_100000709892 [0,2,0,0,0,0|2,0,0]=4 10278 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000709892_100000059175 [0,2,0,0,0,0|2,0,0]=4 10279 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100000709892_100009815848 [0,2,0,0,0,0|2,0,0]=4 10280 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100009815848_100000709892 [0,2,0,0,0,0|2,0,0]=4 10281 B10R0.55 CC(C)SCCN[C@H](C)CO 2230a_100000737577_100000730970 [0,2,0,0,0,0|2,0,0]=4 10282 B10R0.55 CC(C)SCCSC(C)CO 62a_100012180447_100000730970 [0,2,0,0,0,0|2,0,0]=4 10283 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100000730970_100016084084 [0,2,0,0,0,0|2,0,0]=4 10284 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100016084084_100000730970 [0,2,0,0,0,0|2,0,0]=4 10285 B10R0.55 CC(CO)CCNCC(F)F 2230a_106354213184_100011934356 [0,2,0,0,0,0|2,0,0]=4 10286 B10R0.55 CC(CO)CCNCC(F)F 34a_106354213184_100011934356 [0,2,0,0,0,0|2,0,0]=4 10287 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [0,2,0,0,0,0|1,0,0]=3 10288 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [0,2,0,0,0,0|1,0,0]=3 10289 B10R0.55 CC(CO)CNCOC(C)C 34a_100000744482_100000709892 [0,2,0,0,0,0|2,0,0]=4 10290 B10R0.55 CC(CO)NCCCS(=O)C 2230a_200000753449_100012180447 [0,2,0,0,0,0|2,0,0]=4 10291 B10R0.55 CC(CO)NCCOC(C)C 2230a_100000701111_100012180447 [0,2,0,0,0,0|2,0,0]=4 10292 B10R0.55 CC(CO)NCCOC(C)C 34a_100000701111_100012180447 [0,2,0,0,0,0|2,0,0]=4 10293 B10R0.55 CC(CO)NCCSC(C)C 2230a_100000731138_100012180447 [0,2,0,0,0,0|2,0,0]=4 10294 B10R0.55 CC(CO)NCCSC(C)C 34a_100000731138_100012180447 [0,2,0,0,0,0|2,0,0]=4 10295 B10R0.55 CC(CO)OCCSC(C)C 34a_200011212901_100012180447 [0,2,0,0,0,0|2,0,0]=4 10296 B10R0.55 CC(CO)OCCSC(C)C 7a_200011212901_100012180447 [0,2,0,0,0,0|2,0,0]=4 10297 B10R0.55 CC(CO)SCCCN(C)C 62a_100012180447_100000757444 [0,2,0,0,0,0|2,0,0]=4 10298 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,2,0,0,0,0|1,0,0]=3 10299 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [0,2,0,0,0,0|2,0,0]=4 10300 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [0,2,0,0,0,0|2,0,0]=4 10301 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,2,0,0,0,0|2,0,0]=4 10302 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,2,0,0,0,0|1,0,0]=3 10303 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,2,0,0,0,0|1,0,0]=3 10304 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,2,0,0,0,0|1,0,0]=3 10305 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,2,0,0,0,0|1,0,0]=3 10306 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [0,2,0,0,0,0|1,0,0]=3 10307 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,2,0,0,0,0|1,0,0]=3 10308 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [0,2,0,0,0,0|1,0,0]=3 10309 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [0,2,0,0,0,0|2,0,0]=4 10310 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [0,2,0,0,0,0|1,0,0]=3 10311 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [0,2,0,0,0,0|1,0,0]=3 10312 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,2,0,0,0,0|2,0,0]=4 10313 B10R0.55 CC(O)CCOCC(Cl)CCl 34a_100000033668_100012276601 [0,2,0,0,0,0|2,0,0]=4 10314 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [0,2,0,0,0,0|2,0,0]=4 10315 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [0,2,0,0,0,0|1,0,0]=3 10316 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [0,2,0,0,0,0|1,0,0]=3 10317 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,2,0,0,0,0|1,0,0]=3 10318 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,2,0,0,0,0|1,0,0]=3 10319 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [0,2,0,0,0,0|2,0,0]=4 10320 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [0,2,0,0,0,0|2,0,0]=4 10321 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [0,2,0,0,0,0|1,0,0]=3 10322 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [0,2,0,0,0,0|1,0,0]=3 10323 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [0,2,0,0,0,0|1,0,0]=3 10324 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [0,2,0,0,0,0|1,0,0]=3 10325 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,2,0,0,0,0|1,0,1]=4 10326 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|1,0,1]=4 10327 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|1,0,1]=4 10328 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|1,0,1]=4 10329 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|1,0,1]=4 10330 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|1,0,1]=4 10331 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,2,0,0,0,0|2,0,0]=4 10332 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,2,0,0,0,0|2,0,0]=4 10333 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,2,0,0,0,0|2,0,0]=4 10334 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,2,0,0,0,0|1,0,0]=3 10335 B10R0.55 CCC(C)CCNCC(F)F 2230a_100020591266_100011934356 [0,2,0,0,0,0|2,0,0]=4 10336 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,2,0,0,0,0|1,0,0]=3 10337 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,2,0,0,0,0|2,0,0]=4 10338 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,2,0,0,0,0|1,0,0]=3 10339 B10R0.55 CCC(C)CCOCC(F)F 7a_100011215188_100011934356 [0,2,0,0,0,0|2,0,0]=4 10340 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,2,0,0,0,0|1,0,0]=3 10341 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,2,0,0,0,0|2,0,0]=4 10342 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,2,0,0,0,0|2,0,0]=4 10343 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,2,0,0,0,0|2,0,0]=4 10344 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,2,0,0,0,0|1,0,0]=3 10345 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,2,0,0,0,0|1,0,0]=3 10346 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,2,0,0,0,0|1,0,0]=3 10347 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,2,0,0,0,0|2,0,0]=4 10348 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,2,0,0,0,0|2,0,0]=4 10349 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,2,0,0,0,0|2,0,0]=4 10350 B10R0.55 CCC(C)COCCC(F)F 34a_100103093639_100000748023 [0,2,0,0,0,0|2,0,0]=4 10351 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,2,0,0,0,0|2,0,0]=4 10352 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,2,0,0,0,0|2,0,0]=4 10353 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,2,0,0,0,0|2,0,0]=4 10354 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,2,0,0,0,0|1,0,0]=3 10355 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,2,0,0,0,0|1,0,0]=3 10356 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,2,0,0,0,0|2,0,0]=4 10357 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,2,0,0,0,0|2,0,0]=4 10358 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,2,0,0,0,0|2,0,0]=4 10359 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,2,0,0,0,0|1,0,0]=3 10360 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,2,0,0,0,0|2,0,0]=4 10361 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,2,0,0,0,0|2,0,0]=4 10362 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,2,0,0,0,0|2,0,0]=4 10363 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,2,0,0,0,0|1,0,0]=3 10364 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,2,0,0,0,0|2,0,0]=4 10365 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,2,0,0,0,0|2,0,0]=4 10366 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,2,0,0,0,0|1,0,0]=3 10367 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,2,0,0,0,0|1,0,0]=3 10368 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,2,0,0,0,0|2,0,0]=4 10369 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,2,0,0,0,0|2,0,0]=4 10370 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,2,0,0,0,0|1,0,0]=3 10371 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,2,0,0,0,0|1,0,0]=3 10372 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,2,0,0,0,0|2,0,0]=4 10373 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,2,0,0,0,0|2,0,0]=4 10374 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,2,0,0,0,0|2,0,0]=4 10375 B10R0.55 CCC(O)COCCC(F)F 34a_100103093639_100011218378 [0,2,0,0,0,0|2,0,0]=4 10376 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,2,0,0,0,0|2,0,0]=4 10377 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,2,0,0,0,0|2,0,0]=4 10378 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,2,0,0,0,0|2,0,0]=4 10379 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,2,0,0,0,0|1,0,0]=3 10380 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,2,0,0,0,0|1,0,0]=3 10381 B10R0.55 CCN(C)CCCCB(O)O 2230a_100000225621_200009817182 [0,2,0,0,0,0|2,0,0]=4 10382 B10R0.55 CCN(C)CCCCB(O)O 269982a_100000225621_200009817182 [0,2,0,0,0,0|2,0,0]=4 10383 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,2,0,0,0,0|2,0,0]=4 10384 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,2,0,0,0,0|2,0,0]=4 10385 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,2,0,0,0,0|1,0,0]=3 10386 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,2,0,0,0,0|2,0,0]=4 10387 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,2,0,0,0,0|2,0,0]=4 10388 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,2,0,0,0,0|2,0,0]=4 10389 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,2,0,0,0,0|2,0,0]=4 10390 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,2,0,0,0,0|1,0,0]=3 10391 B10R0.55 CC[C@H](C)COCCC(F)F 34a_100103093639_100009816398 [0,2,0,0,0,0|2,0,0]=4 10392 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,2,0,0,0,0|2,0,0]=4 10393 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,2,0,0,0,0|2,0,0]=4 10394 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,2,0,0,0,0|2,0,0]=4 10395 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,2,0,0,0,0|1,0,0]=3 10396 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,2,0,0,0,0|1,0,0]=3 10397 B10R0.55 CN(C)CCSCC(O)CO 62a_100011219619_100000755713 [0,2,0,0,0,0|2,0,0]=4 10398 B10R0.55 CN(C)CCSC[C@@H](O)CO 62a_100009815848_100000755713 [0,2,0,0,0,0|2,0,0]=4 10399 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,2,0,0,0,0|2,0,0]=4 10400 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,2,0,0,0,0|2,0,0]=4 10401 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,2,0,0,0,0|2,0,0]=4 10402 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [0,2,0,0,0,0|2,0,0]=4 10403 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [0,2,0,0,0,0|2,0,0]=4 10404 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,2,0,0,0,0|2,0,0]=4 10405 B10R0.55 C[C@@H](CO)COCCC(F)F 34a_100103093639_100000059175 [0,2,0,0,0,0|2,0,0]=4 10406 B10R0.55 C[C@@H](CO)COCC[C@@H](C)N 34a_100000706166_100000059175 [0,2,0,0,0,0|1,0,0]=3 10407 B10R0.55 C[C@@H](CO)CSCCN(C)C 62a_100000059175_100000755713 [0,2,0,0,0,0|2,0,0]=4 10408 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [0,2,0,0,0,0|1,0,0]=3 10409 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CF 34a_100000706166_100015614560 [0,2,0,0,0,0|2,0,0]=4 10410 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [0,2,0,0,0,0|1,0,0]=3 10411 B10R0.55 C[C@H](CO)SCCCN(C)C 62a_100016084084_100000757444 [0,2,0,0,0,0|2,0,0]=4 10412 B10R0.55 OCC(O)COCCC(F)F 34a_100103093639_100011219619 [0,2,0,0,0,0|2,0,0]=4 10413 B10R0.55 OC[C@H](O)COCCC(F)F 34a_100103093639_100009815848 [0,2,0,0,0,0|2,0,0]=4 10414 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|0,0,2]=4 10415 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|0,0,2]=4 10416 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,2,0,0,0,0|1,0,1]=4 10417 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,2,0,0,0,0|1,0,1]=4 10418 B10R0.74 C#CC(C)NCCCCCF 2230a_100000707721_100000729378 [0,2,0,0,0,0|2,0,0]=4 10419 B10R0.74 C#CC(C)NCCCCCF 34a_100000707721_100000729378 [0,2,0,0,0,0|2,0,0]=4 10420 B10R0.74 C#CC(C)NCCCCCO 2230a_100000707721_100000746330 [0,2,0,0,0,0|1,0,0]=3 10421 B10R0.74 C#CC(C)NCCCCCO 34a_100000707721_100000746330 [0,2,0,0,0,0|1,0,0]=3 10422 B10R0.74 C#CC(C)NCCCCCO 34a_100000762737_200000035995 [0,2,0,0,0,0|1,0,0]=3 10423 B10R0.74 C#CC(C)NCCOCCO 2230a_100000707721_100011215305 [0,2,0,0,0,0|2,0,0]=4 10424 B10R0.74 C#CC(C)NCCOCCO 34a_100000211614_200000035995 [0,2,0,0,0,0|2,0,0]=4 10425 B10R0.74 C#CC(C)NCCOCCO 34a_100000707721_100000692535 [0,2,0,0,0,0|2,0,0]=4 10426 B10R0.74 C#CC(C)OCCCCCBr 34a_100000746331_200000035995 [0,2,0,0,0,0|2,0,0]=4 10427 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,2,0,0,0,0|1,0,1]=4 10428 B10R0.74 C#CC(C)OCCCCCCl 34a_100000746330_200000035995 [0,2,0,0,0,0|2,0,0]=4 10429 B10R0.74 C#CC(C)OCCCCCI 34a_200012148887_200000035995 [0,2,0,0,0,0|2,0,0]=4 10430 B10R0.74 C#CC(C)OCCCCCN 34a_100000762737_200000035995 [0,2,0,0,0,0|2,0,0]=4 10431 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,2,0,0,0,0|1,0,1]=4 10432 B10R0.74 C#CC(C)SCCCCCF 62a_200000035995_100000729378 [0,2,0,0,0,0|2,0,0]=4 10433 B10R0.74 C#CC(C)SCCCCCO 62a_200000035995_100000746330 [0,2,0,0,0,0|1,0,0]=3 10434 B10R0.74 C#CC(C)SCCOCCO 62a_200000035995_100011215305 [0,2,0,0,0,0|2,0,0]=4 10435 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,2,0,0,0,0|1,0,0]=3 10436 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,2,0,0,0,0|1,0,0]=3 10437 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,2,0,0,0,0|1,0,0]=3 10438 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,2,0,0,0,0|1,0,0]=3 10439 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,2,0,0,0,0|1,0,0]=3 10440 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,2,0,0,0,0|1,0,0]=3 10441 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,2,0,0,0,0|1,0,0]=3 10442 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,2,0,0,0,0|1,0,0]=3 10443 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|1,0,1]=4 10444 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|1,0,1]=4 10445 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|0,0,2]=4 10446 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,2,0,0,0,0|1,0,1]=4 10447 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,2,0,0,0,0|1,0,1]=4 10448 B10R0.74 C#CCCCCNC(C)CC 2230a_100000209981_100010269958 [0,2,0,0,0,0|1,0,1]=4 10449 B10R0.74 C#CCCCCNC(C)CC 2230a_100000706060_100000758301 [0,2,0,0,0,0|1,0,1]=4 10450 B10R0.74 C#CCCCCNC(C)CC 34a_100000706060_100011215416 [0,2,0,0,0,0|1,0,1]=4 10451 B10R0.74 C#CCCCCNC(C)CO 2230a_100000706060_100012180447 [0,2,0,0,0,0|0,0,2]=4 10452 B10R0.74 C#CCCCCNC(C)CO 34a_100000706060_100012180447 [0,2,0,0,0,0|0,0,2]=4 10453 B10R0.74 C#CCCCCN[C@H](C)CO 2230a_100000737577_100010269958 [0,2,0,0,0,0|0,0,2]=4 10454 B10R0.74 C#CCCCCOC(C)CC 34a_100000766709_100011215416 [0,2,0,0,0,0|1,0,1]=4 10455 B10R0.74 C#CCCCCOC(C)CC 7a_100000210228_100010269958 [0,2,0,0,0,0|1,0,1]=4 10456 B10R0.74 C#CCCCCOC(C)CC 7a_100000766709_100000758301 [0,2,0,0,0,0|1,0,1]=4 10457 B10R0.74 C#CCCCCOC(C)CO 34a_100000766709_100012180447 [0,2,0,0,0,0|0,0,2]=4 10458 B10R0.74 C#CCCCCOC(C)CO 7a_100000766709_100012180447 [0,2,0,0,0,0|0,0,2]=4 10459 B10R0.74 C#CCCCCSC(C)CC 62a_100000758301_100010269958 [0,2,0,0,0,0|1,0,1]=4 10460 B10R0.74 C#CCCCCSC(C)CC 62a_100010269958_100000758301 [0,2,0,0,0,0|1,0,1]=4 10461 B10R0.74 C#CCCCCSC(C)CO 62a_100012180447_100010269958 [0,2,0,0,0,0|0,0,2]=4 10462 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100010269958_100016084084 [0,2,0,0,0,0|0,0,2]=4 10463 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100016084084_100010269958 [0,2,0,0,0,0|0,0,2]=4 10464 B10R0.74 C#CCCCNCC(C)CC 2230a_100020588543_100000731252 [0,2,0,0,0,0|1,0,1]=4 10465 B10R0.74 C#CCCCNCC(C)CC 270004a_100000718082_100000243153 [0,2,0,0,0,0|1,0,1]=4 10466 B10R0.74 C#CCCCNCC(C)CC 34a_100000718082_100000748023 [0,2,0,0,0,0|1,0,1]=4 10467 B10R0.74 C#CCCCNCC(C)CO 34a_100000744482_100000695029 [0,2,0,0,0,0|0,0,2]=4 10468 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,2,0,0,0,0|1,0,1]=4 10469 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,2,0,0,0,0|1,0,1]=4 10470 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,2,0,0,0,0|0,0,2]=4 10471 B10R0.74 C#CCCCNC[C@@H](C)CC 34a_100000718082_100009816398 [0,2,0,0,0,0|1,0,1]=4 10472 B10R0.74 C#CCCCNC[C@@H](C)CO 34a_100000718082_100000059175 [0,2,0,0,0,0|0,0,2]=4 10473 B10R0.74 C#CCCCNC[C@@H](F)CO 34a_100015665980_100000695029 [0,2,0,0,0,0|0,0,2]=4 10474 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,2,0,0,0,0|0,0,2]=4 10475 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,2,0,0,0,0|0,0,2]=4 10476 B10R0.74 C#CCCCOCC(C)CC 34a_100000215630_100000748023 [0,2,0,0,0,0|1,0,1]=4 10477 B10R0.74 C#CCCCOCC(C)CC 7a_100000215630_100000748023 [0,2,0,0,0,0|1,0,1]=4 10478 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,2,0,0,0,0|1,0,1]=4 10479 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,2,0,0,0,0|1,0,1]=4 10480 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,2,0,0,0,0|0,0,2]=4 10481 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,2,0,0,0,0|0,0,2]=4 10482 B10R0.74 C#CCCCOC[C@@H](C)CC 34a_100000215630_100009816398 [0,2,0,0,0,0|1,0,1]=4 10483 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100000215630_100009816398 [0,2,0,0,0,0|1,0,1]=4 10484 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100009816381_100011215417 [0,2,0,0,0,0|1,0,1]=4 10485 B10R0.74 C#CCCCOC[C@@H](C)CO 34a_100000215630_100000059175 [0,2,0,0,0,0|0,0,2]=4 10486 B10R0.74 C#CCCCOC[C@@H](C)CO 7a_100000215630_100000059175 [0,2,0,0,0,0|0,0,2]=4 10487 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,2,0,0,0,0|0,0,2]=4 10488 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,2,0,0,0,0|0,0,2]=4 10489 B10R0.74 C#CCCCSCC(C)CC 62a_100000748023_100011215417 [0,2,0,0,0,0|1,0,1]=4 10490 B10R0.74 C#CCCCSCC(C)CC 62a_100011215417_100000748023 [0,2,0,0,0,0|1,0,1]=4 10491 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,2,0,0,0,0|1,0,1]=4 10492 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,2,0,0,0,0|1,0,1]=4 10493 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,2,0,0,0,0|0,0,2]=4 10494 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,2,0,0,0,0|0,0,2]=4 10495 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100009816398_100011215417 [0,2,0,0,0,0|1,0,1]=4 10496 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100011215417_100009816398 [0,2,0,0,0,0|1,0,1]=4 10497 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100000059175_100011215417 [0,2,0,0,0,0|0,0,2]=4 10498 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100011215417_100000059175 [0,2,0,0,0,0|0,0,2]=4 10499 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,2,0,0,0,0|0,0,2]=4 10500 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,2,0,0,0,0|0,0,2]=4 10501 B10R0.74 C#CCCNCCC(C)CC 2230a_100020591266_100000688953 [0,2,0,0,0,0|1,0,1]=4 10502 B10R0.74 C#CCCNCCC(C)CO 2230a_106354213184_100000688953 [0,2,0,0,0,0|0,0,2]=4 10503 B10R0.74 C#CCCNCCC(C)CO 34a_106354213184_100000688953 [0,2,0,0,0,0|0,0,2]=4 10504 B10R0.74 C#CCCOCCC(C)CC 7a_100011215188_100000688953 [0,2,0,0,0,0|1,0,1]=4 10505 B10R0.74 C#CCOCCCC(C)CC 7a_100011216074_100000038162 [0,2,0,0,0,0|1,0,1]=4 10506 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 10507 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,2,0,0,0,0|1,0,1]=4 10508 B10R0.74 C#C[C@@H](C)OCCCCCF 34a_100009815206_100000729378 [0,2,0,0,0,0|2,0,0]=4 10509 B10R0.74 C#C[C@@H](C)OCCCCCF 7a_100009815206_100000729378 [0,2,0,0,0,0|2,0,0]=4 10510 B10R0.74 C#C[C@@H](C)OCCCCCO 34a_100009815206_100000746330 [0,2,0,0,0,0|1,0,0]=3 10511 B10R0.74 C#C[C@@H](C)OCCCCCO 7a_100009815206_100000746330 [0,2,0,0,0,0|1,0,0]=3 10512 B10R0.74 C#C[C@@H](C)OCCOCCO 34a_100009815206_100000692535 [0,2,0,0,0,0|2,0,0]=4 10513 B10R0.74 C#C[C@@H](C)OCCOCCO 7a_100009815206_100011215305 [0,2,0,0,0,0|2,0,0]=4 10514 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,2,0,0,0,0|0,0,2]=4 10515 B10R0.74 C/C=C/CCOC[C@@H](C)CO 34a_100016278192_100000059175 [0,2,0,0,0,0|0,0,2]=4 10516 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,2,0,0,0,0|0,0,2]=4 10517 B10R0.74 C/C=C/CNCCC(C)CO 34a_106354213184_100102629194 [0,2,0,0,0,0|0,0,2]=4 10518 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|0,0,2]=4 10519 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|0,0,2]=4 10520 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,2,0,0,0,0|1,0,1]=4 10521 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,2,0,0,0,0|1,0,1]=4 10522 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,2,0,0,0,0|2,0,0]=4 10523 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,2,0,0,0,0|2,0,0]=4 10524 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,2,0,0,0,0|1,0,0]=3 10525 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,2,0,0,0,0|1,0,0]=3 10526 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,0,0,0,0|1,0,1]=4 10527 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,2,0,0,0,0|2,0,0]=4 10528 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,2,0,0,0,0|1,0,0]=3 10529 B10R0.74 C=CC(C)OCCOCCO 34a_100000695699_100000692535 [0,2,0,0,0,0|2,0,0]=4 10530 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,2,0,0,0,0|1,0,1]=4 10531 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,2,0,0,0,0|2,0,0]=4 10532 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,2,0,0,0,0|1,0,0]=3 10533 B10R0.74 C=CC(C)SCCOCCO 62a_100011215867_100011215305 [0,2,0,0,0,0|2,0,0]=4 10534 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|1,0,0]=3 10535 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 10536 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 10537 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,2,0,0,0,0|2,0,0]=4 10538 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,2,0,0,0,0|2,0,0]=4 10539 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,2,0,0,0,0|2,0,0]=4 10540 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,2,0,0,0,0|2,0,0]=4 10541 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,2,0,0,0,0|2,0,0]=4 10542 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,2,0,0,0,0|2,0,0]=4 10543 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|1,0,0]=3 10544 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|1,0,0]=3 10545 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,2,0,0,0,0|2,0,0]=4 10546 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,2,0,0,0,0|2,0,0]=4 10547 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,2,0,0,0,0|2,0,0]=4 10548 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,2,0,0,0,0|2,0,0]=4 10549 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,2,0,0,0,0|2,0,0]=4 10550 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,2,0,0,0,0|2,0,0]=4 10551 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,2,0,0,0,0|2,0,0]=4 10552 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,2,0,0,0,0|2,0,0]=4 10553 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,2,0,0,0,0|2,0,0]=4 10554 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,2,0,0,0,0|2,0,0]=4 10555 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,2,0,0,0,0|2,0,0]=4 10556 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,2,0,0,0,0|2,0,0]=4 10557 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,2,0,0,0,0|2,0,0]=4 10558 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,2,0,0,0,0|2,0,0]=4 10559 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|1,0,0]=3 10560 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|1,0,0]=3 10561 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,2,0,0,0,0|2,0,0]=4 10562 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,2,0,0,0,0|2,0,0]=4 10563 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,2,0,0,0,0|0,0,2]=4 10564 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,2,0,0,0,0|0,0,2]=4 10565 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,2,0,0,0,0|2,0,0]=4 10566 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,2,0,0,0,0|2,0,0]=4 10567 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,2,0,0,0,0|2,0,0]=4 10568 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,2,0,0,0,0|2,0,0]=4 10569 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,2,0,0,0,0|2,0,0]=4 10570 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,2,0,0,0,0|2,0,0]=4 10571 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|1,0,1]=4 10572 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|1,0,1]=4 10573 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|0,0,2]=4 10574 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,2,0,0,0,0|1,0,1]=4 10575 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,2,0,0,0,0|1,0,1]=4 10576 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,2,0,0,0,0|1,0,1]=4 10577 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,2,0,0,0,0|1,0,1]=4 10578 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,2,0,0,0,0|1,0,1]=4 10579 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,2,0,0,0,0|0,0,2]=4 10580 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,2,0,0,0,0|0,0,2]=4 10581 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,2,0,0,0,0|0,0,2]=4 10582 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,2,0,0,0,0|1,0,1]=4 10583 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,2,0,0,0,0|1,0,1]=4 10584 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,2,0,0,0,0|1,0,1]=4 10585 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,2,0,0,0,0|0,0,2]=4 10586 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,2,0,0,0,0|0,0,2]=4 10587 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,2,0,0,0,0|1,0,1]=4 10588 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,2,0,0,0,0|1,0,1]=4 10589 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,2,0,0,0,0|0,0,2]=4 10590 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,2,0,0,0,0|0,0,2]=4 10591 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,2,0,0,0,0|0,0,2]=4 10592 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,2,0,0,0,0|1,0,1]=4 10593 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,2,0,0,0,0|1,0,1]=4 10594 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,2,0,0,0,0|1,0,1]=4 10595 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,2,0,0,0,0|1,0,1]=4 10596 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,2,0,0,0,0|0,0,2]=4 10597 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,2,0,0,0,0|1,0,1]=4 10598 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,2,0,0,0,0|1,0,1]=4 10599 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,2,0,0,0,0|1,0,1]=4 10600 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,2,0,0,0,0|0,0,2]=4 10601 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,2,0,0,0,0|0,0,2]=4 10602 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,2,0,0,0,0|1,0,1]=4 10603 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,2,0,0,0,0|1,0,1]=4 10604 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,2,0,0,0,0|0,0,2]=4 10605 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,2,0,0,0,0|0,0,2]=4 10606 B10R0.74 C=CCCCNC[C@@H](F)CO 34a_100015665980_100000757094 [0,2,0,0,0,0|0,0,2]=4 10607 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,2,0,0,0,0|0,0,2]=4 10608 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,2,0,0,0,0|0,0,2]=4 10609 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,2,0,0,0,0|0,0,2]=4 10610 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,2,0,0,0,0|1,0,1]=4 10611 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,2,0,0,0,0|1,0,1]=4 10612 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,2,0,0,0,0|1,0,1]=4 10613 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,2,0,0,0,0|1,0,1]=4 10614 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,2,0,0,0,0|0,0,2]=4 10615 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,2,0,0,0,0|0,0,2]=4 10616 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,2,0,0,0,0|1,0,1]=4 10617 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,2,0,0,0,0|1,0,1]=4 10618 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,2,0,0,0,0|1,0,1]=4 10619 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,2,0,0,0,0|0,0,2]=4 10620 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,2,0,0,0,0|0,0,2]=4 10621 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,2,0,0,0,0|0,0,2]=4 10622 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,2,0,0,0,0|0,0,2]=4 10623 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,2,0,0,0,0|1,0,1]=4 10624 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,2,0,0,0,0|1,0,1]=4 10625 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,2,0,0,0,0|1,0,1]=4 10626 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,2,0,0,0,0|1,0,1]=4 10627 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,2,0,0,0,0|0,0,2]=4 10628 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,2,0,0,0,0|0,0,2]=4 10629 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,2,0,0,0,0|1,0,1]=4 10630 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,2,0,0,0,0|1,0,1]=4 10631 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,2,0,0,0,0|0,0,2]=4 10632 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,2,0,0,0,0|0,0,2]=4 10633 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,2,0,0,0,0|0,0,2]=4 10634 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,2,0,0,0,0|0,0,2]=4 10635 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,2,0,0,0,0|1,0,1]=4 10636 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,2,0,0,0,0|0,0,2]=4 10637 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,2,0,0,0,0|0,0,2]=4 10638 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,2,0,0,0,0|1,0,1]=4 10639 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,2,0,0,0,0|1,0,1]=4 10640 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,1]=4 10641 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,2,0,0,0,0|0,0,2]=4 10642 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,2,0,0,0,0|0,0,2]=4 10643 B10R0.74 CC#CCCOC[C@@H](C)CO 34a_100000750427_100000059175 [0,2,0,0,0,0|0,0,2]=4 10644 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,2,0,0,0,0|0,0,2]=4 10645 B10R0.74 CC#CCNCCC(C)CO 2230a_106354213184_100000748600 [0,2,0,0,0,0|0,0,2]=4 10646 B10R0.74 CC#CCNCCC(C)CO 34a_106354213184_100000748600 [0,2,0,0,0,0|0,0,2]=4 10647 B10R0.74 CC(C#N)NCCCCCF 2230a_100000737613_100000729378 [0,2,0,0,0,0|2,0,0]=4 10648 B10R0.74 CC(C#N)NCCCCCO 2230a_100000737613_100000746330 [0,2,0,0,0,0|1,0,0]=3 10649 B10R0.74 CC(C#N)NCCCCCO 2230a_100000762737_100000184139 [0,2,0,0,0,0|1,0,0]=3 10650 B10R0.74 CC(C#N)NCCOCCO 2230a_100000211614_100000184139 [0,2,0,0,0,0|2,0,0]=4 10651 B10R0.74 CC(C#N)NCCOCCO 2230a_100000737613_100011215305 [0,2,0,0,0,0|2,0,0]=4 10652 B10R0.74 CC(C#N)NCCSCCO 2230a_100011219999_100000184139 [0,2,0,0,0,0|2,0,0]=4 10653 B10R0.74 CC(C#N)OCCCCCBr 7a_100000746331_100000703298 [0,2,0,0,0,0|2,0,0]=4 10654 B10R0.74 CC(C#N)OCCCCCCl 7a_100000746330_100000703298 [0,2,0,0,0,0|2,0,0]=4 10655 B10R0.74 CC(C#N)OCCCCCF 34a_100011218135_100000729378 [0,2,0,0,0,0|2,0,0]=4 10656 B10R0.74 CC(C#N)OCCCCCI 7a_200012148887_100000703298 [0,2,0,0,0,0|2,0,0]=4 10657 B10R0.74 CC(C#N)OCCCCCO 34a_100011218135_100000746330 [0,2,0,0,0,0|1,0,0]=3 10658 B10R0.74 CC(C#N)OCCOCCO 34a_100011218135_100000692535 [0,2,0,0,0,0|2,0,0]=4 10659 B10R0.74 CC(C#N)SCCCCCF 62a_100000703298_100000729378 [0,2,0,0,0,0|2,0,0]=4 10660 B10R0.74 CC(C#N)SCCCCCF 62a_100000729378_100000703298 [0,2,0,0,0,0|2,0,0]=4 10661 B10R0.74 CC(C#N)SCCCCCO 62a_100000703298_100000746330 [0,2,0,0,0,0|1,0,0]=3 10662 B10R0.74 CC(C#N)SCCCCCO 62a_100000746330_100000703298 [0,2,0,0,0,0|1,0,0]=3 10663 B10R0.74 CC(C#N)SCCOCCO 62a_100000703298_100011215305 [0,2,0,0,0,0|2,0,0]=4 10664 B10R0.74 CC(C#N)SCCOCCO 62a_100011215305_100000703298 [0,2,0,0,0,0|2,0,0]=4 10665 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,2,0,0,0,0|2,0,0]=4 10666 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,2,0,0,0,0|2,0,0]=4 10667 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,2,0,0,0,0|1,0,0]=3 10668 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,2,0,0,0,0|1,0,0]=3 10669 B10R0.74 CC(CF)OCCOCCO 34a_100016041109_100000692535 [0,2,0,0,0,0|2,0,0]=4 10670 B10R0.74 CC(CF)OCCOCCO 7a_100016041109_100011215305 [0,2,0,0,0,0|2,0,0]=4 10671 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,2,0,0,0,0|2,0,0]=4 10672 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,2,0,0,0,0|1,0,0]=3 10673 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|2,0,0]=4 10674 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|1,0,0]=3 10675 B10R0.74 CC(CN)OCCOCCO 34a_100000210904_100000692535 [0,2,0,0,0,0|2,0,0]=4 10676 B10R0.74 CC(CO)CCNCCC#N 2230a_106354213184_100011215226 [0,2,0,0,0,0|1,0,1]=4 10677 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,2,0,0,0,0|1,0,0]=3 10678 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,2,0,0,0,0|1,0,0]=3 10679 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,2,0,0,0,0|1,0,0]=3 10680 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,2,0,0,0,0|1,0,0]=3 10681 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,2,0,0,0,0|1,0,0]=3 10682 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,2,0,0,0,0|1,0,0]=3 10683 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,2,0,0,0,0|1,0,0]=3 10684 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,2,0,0,0,0|1,0,0]=3 10685 B10R0.74 CC(CO)NCCOCCO 2230a_100000211614_100012180447 [0,2,0,0,0,0|2,0,0]=4 10686 B10R0.74 CC(CO)NCCOCCO 34a_100000211614_100012180447 [0,2,0,0,0,0|2,0,0]=4 10687 B10R0.74 CC(CO)NCCSCCO 2230a_100011219999_100012180447 [0,2,0,0,0,0|2,0,0]=4 10688 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,2,0,0,0,0|1,0,0]=3 10689 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,2,0,0,0,0|1,0,0]=3 10690 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,2,0,0,0,0|1,0,0]=3 10691 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,2,0,0,0,0|1,0,0]=3 10692 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,2,0,0,0,0|1,0,0]=3 10693 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,2,0,0,0,0|1,0,0]=3 10694 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,2,0,0,0,0|1,0,0]=3 10695 B10R0.74 CC(CO)OCCOCCBr 34a_100000692535_100012180447 [0,2,0,0,0,0|2,0,0]=4 10696 B10R0.74 CC(CO)OCCOCCBr 7a_100000692535_100012180447 [0,2,0,0,0,0|2,0,0]=4 10697 B10R0.74 CC(CO)OCCOCCCl 34a_100011215305_100012180447 [0,2,0,0,0,0|2,0,0]=4 10698 B10R0.74 CC(CO)OCCOCCCl 7a_100011215305_100012180447 [0,2,0,0,0,0|2,0,0]=4 10699 B10R0.74 CC(CO)OCCOCCF 34a_200015357709_100012180447 [0,2,0,0,0,0|2,0,0]=4 10700 B10R0.74 CC(CO)OCCOCCF 7a_200015357709_100012180447 [0,2,0,0,0,0|2,0,0]=4 10701 B10R0.74 CC(CO)OCCOCCI 34a_100012149058_100012180447 [0,2,0,0,0,0|2,0,0]=4 10702 B10R0.74 CC(CO)OCCOCCI 7a_100012149058_100012180447 [0,2,0,0,0,0|2,0,0]=4 10703 B10R0.74 CC(CO)OCCOCCN 34a_100000211614_100012180447 [0,2,0,0,0,0|2,0,0]=4 10704 B10R0.74 CC(CO)SCCCCC#N 62a_100012180447_100000211819 [0,2,0,0,0,0|1,0,1]=4 10705 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,2,0,0,0,0|1,0,1]=4 10706 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,2,0,0,0,0|1,0,0]=3 10707 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,2,0,0,0,0|1,0,0]=3 10708 B10R0.74 CC(CO)SCCOCCO 62a_100012180447_100011215305 [0,2,0,0,0,0|2,0,0]=4 10709 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,2,0,0,0,0|0,0,2]=4 10710 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,2,0,0,0,0|0,0,2]=4 10711 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,2,0,0,0,0|0,0,2]=4 10712 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,2,0,0,0,0|0,0,2]=4 10713 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,2,0,0,0,0|0,0,2]=4 10714 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,2,0,0,0,0|0,0,2]=4 10715 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,2,0,0,0,0|0,0,2]=4 10716 B10R0.74 CC/C=C\CNC[C@@H](F)CO 34a_100015665980_100103147603 [0,2,0,0,0,0|0,0,2]=4 10717 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,2,0,0,0,0|0,0,2]=4 10718 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,2,0,0,0,0|0,0,2]=4 10719 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,2,0,0,0,0|0,0,2]=4 10720 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,2,0,0,0,0|0,0,2]=4 10721 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,2,0,0,0,0|0,0,2]=4 10722 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,2,0,0,0,0|0,0,2]=4 10723 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,2,0,0,0,0|0,0,2]=4 10724 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,2,0,0,0,0|0,0,2]=4 10725 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,2,0,0,0,0|0,0,2]=4 10726 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,2,0,0,0,0|0,0,2]=4 10727 B10R0.74 CC=CCCCOC(C)CO 34a_100020645299_100012180447 [0,2,0,0,0,0|0,0,2]=4 10728 B10R0.74 CC=CCNCCC(C)CO 2230a_106354213184_100000070051 [0,2,0,0,0,0|0,0,2]=4 10729 B10R0.74 CC=CCNCCC(C)CO 34a_106354213184_100000070051 [0,2,0,0,0,0|0,0,2]=4 10730 B10R0.74 CCC#CCCOC(C)CO 34a_100000036655_100012180447 [0,2,0,0,0,0|0,0,2]=4 10731 B10R0.74 CCC#CCCOC(C)CO 7a_100000036655_100012180447 [0,2,0,0,0,0|0,0,2]=4 10732 B10R0.74 CCC#CCNCC(C)CO 34a_100000744482_100009813939 [0,2,0,0,0,0|0,0,2]=4 10733 B10R0.74 CCC#CCNC[C@@H](F)CO 34a_100015665980_100009813939 [0,2,0,0,0,0|0,0,2]=4 10734 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,2,0,0,0,0|0,0,2]=4 10735 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,2,0,0,0,0|0,0,2]=4 10736 B10R0.74 CCC#CCOC[C@@H](C)CO 34a_100000032950_100000059175 [0,2,0,0,0,0|0,0,2]=4 10737 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,2,0,0,0,0|0,0,2]=4 10738 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,2,0,0,0,0|0,0,2]=4 10739 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,2,0,0,0,0|0,0,2]=4 10740 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100000059175_100009813939 [0,2,0,0,0,0|0,0,2]=4 10741 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100009813939_100000059175 [0,2,0,0,0,0|0,0,2]=4 10742 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,2,0,0,0,0|0,0,2]=4 10743 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,2,0,0,0,0|0,0,2]=4 10744 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|1,0,1]=4 10745 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|1,0,0]=3 10746 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,0]=2 10747 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,0]=2 10748 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|0,0,1]=3 10749 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|1,0,1]=4 10750 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|1,0,1]=4 10751 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|1,0,1]=4 10752 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|1,0,1]=4 10753 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|1,0,1]=4 10754 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|0,0,1]=3 10755 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|1,0,1]=4 10756 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|1,0,1]=4 10757 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|1,0,1]=4 10758 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|0,0,1]=3 10759 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|0,0,1]=3 10760 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|1,0,1]=4 10761 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|1,0,1]=4 10762 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|0,0,1]=3 10763 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,2,0,0,0,0|1,0,1]=4 10764 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,2,0,0,0,0|1,0,1]=4 10765 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,2,0,0,0,0|1,0,1]=4 10766 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,2,0,0,0,0|1,0,1]=4 10767 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,2,0,0,0,0|1,0,1]=4 10768 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,2,0,0,0,0|1,0,1]=4 10769 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,2,0,0,0,0|1,0,1]=4 10770 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|0,0,0]=2 10771 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|0,0,0]=2 10772 B10R0.74 CCC(C)CCCOCC#N 7a_100011216074_100011215382 [0,2,0,0,0,0|1,0,1]=4 10773 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,2,0,0,0,0|0,0,2]=4 10774 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,2,0,0,0,0|1,0,0]=3 10775 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,2,0,0,0,0|0,0,0]=2 10776 B10R0.74 CCC(C)CCNCCC#N 2230a_100020591266_100011215226 [0,2,0,0,0,0|1,0,1]=4 10777 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,2,0,0,0,0|1,0,0]=3 10778 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,2,0,0,0,0|0,0,0]=2 10779 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,2,0,0,0,0|1,0,0]=3 10780 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,2,0,0,0,0|1,1,0]=4 10781 B10R0.74 CCC(C)CCOCCC#N 7a_100011215188_100000184422 [0,2,0,0,0,0|1,0,1]=4 10782 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,2,0,0,0,0|1,0,0]=3 10783 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,2,0,0,0,0|0,0,0]=2 10784 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,2,0,0,0,0|1,0,0]=3 10785 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,2,0,0,0,0|1,1,0]=4 10786 B10R0.74 CCC(C)CNCC#CCO 2230a_100020588543_200000047223 [0,2,0,0,0,0|0,0,2]=4 10787 B10R0.74 CCC(C)CNCCCC#N 2230a_100020588543_100000687738 [0,2,0,0,0,0|1,0,1]=4 10788 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,2,0,0,0,0|0,0,2]=4 10789 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,2,0,0,0,0|1,0,0]=3 10790 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,2,0,0,0,0|0,0,0]=2 10791 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,2,0,0,0,0|0,0,0]=2 10792 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,2,0,0,0,0|0,0,0]=2 10793 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,2,0,0,0,0|0,0,0]=2 10794 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,2,0,0,0,0|1,0,0]=3 10795 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,2,0,0,0,0|1,0,0]=3 10796 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,2,0,0,0,0|1,0,0]=3 10797 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,2,0,0,0,0|1,1,0]=4 10798 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,2,0,0,0,0|1,1,0]=4 10799 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,2,0,0,0,0|1,0,0]=3 10800 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,2,0,0,0,0|1,0,0]=3 10801 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,2,0,0,0,0|1,0,0]=3 10802 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,2,0,0,0,0|1,0,0]=3 10803 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,2,0,0,0,0|1,0,0]=3 10804 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,2,0,0,0,0|1,0,0]=3 10805 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,2,0,0,0,0|1,0,0]=3 10806 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,2,0,0,0,0|2,0,0]=4 10807 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,2,0,0,0,0|1,0,0]=3 10808 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,2,0,0,0,0|1,1,0]=4 10809 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,2,0,0,0,0|1,1,0]=4 10810 B10R0.74 CCC(C)CSCC#CCO 62a_100000748023_200000047223 [0,2,0,0,0,0|0,0,2]=4 10811 B10R0.74 CCC(C)CSCC#CCO 62a_200000047223_100000748023 [0,2,0,0,0,0|0,0,2]=4 10812 B10R0.74 CCC(C)CSCCCC#N 62a_100000687738_100000748023 [0,2,0,0,0,0|1,0,1]=4 10813 B10R0.74 CCC(C)CSCCCC#N 62a_100000748023_100000687738 [0,2,0,0,0,0|1,0,1]=4 10814 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,2,0,0,0,0|0,0,2]=4 10815 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,2,0,0,0,0|0,0,2]=4 10816 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,2,0,0,0,0|1,0,0]=3 10817 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,2,0,0,0,0|1,0,0]=3 10818 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,2,0,0,0,0|0,0,0]=2 10819 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,2,0,0,0,0|0,0,0]=2 10820 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,2,0,0,0,0|1,0,0]=3 10821 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,2,0,0,0,0|1,0,0]=3 10822 B10R0.74 CCC(C)NCCCCC#N 2230a_100000209981_100000211819 [0,2,0,0,0,0|1,0,1]=4 10823 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,2,0,0,0,0|0,0,2]=4 10824 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,2,0,0,0,0|1,0,0]=3 10825 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,2,0,0,0,0|0,0,0]=2 10826 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,2,0,0,0,0|0,0,0]=2 10827 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,2,0,0,0,0|0,0,0]=2 10828 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,2,0,0,0,0|1,0,0]=3 10829 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,2,0,0,0,0|1,0,0]=3 10830 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,2,0,0,0,0|1,0,0]=3 10831 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,2,0,0,0,0|1,0,0]=3 10832 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,2,0,0,0,0|1,0,0]=3 10833 B10R0.74 CCC(C)NCOCCOC 2230a_100000209981_100000231047 [0,2,0,0,0,0|2,0,0]=4 10834 B10R0.74 CCC(C)OCCCCC#N 7a_100000210228_100000211819 [0,2,0,0,0,0|1,0,1]=4 10835 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,2,0,0,0,0|0,0,2]=4 10836 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,2,0,0,0,0|1,0,0]=3 10837 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,2,0,0,0,0|1,0,0]=3 10838 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,2,0,0,0,0|1,0,0]=3 10839 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,2,0,0,0,0|1,0,0]=3 10840 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,2,0,0,0,0|1,0,0]=3 10841 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,2,0,0,0,0|1,0,0]=3 10842 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,2,0,0,0,0|1,0,0]=3 10843 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,2,0,0,0,0|1,0,0]=3 10844 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,2,0,0,0,0|0,0,0]=2 10845 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,2,0,0,0,0|1,0,0]=3 10846 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,2,0,0,0,0|1,0,0]=3 10847 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,2,0,0,0,0|1,1,0]=4 10848 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,2,0,0,0,0|1,1,0]=4 10849 B10R0.74 CCC(C)OCCOCCBr 34a_100000692535_100011215416 [0,2,0,0,0,0|2,0,0]=4 10850 B10R0.74 CCC(C)OCCOCCBr 7a_100000692535_100000758301 [0,2,0,0,0,0|2,0,0]=4 10851 B10R0.74 CCC(C)OCCOCCCl 34a_100011215305_100011215416 [0,2,0,0,0,0|2,0,0]=4 10852 B10R0.74 CCC(C)OCCOCCCl 7a_100011215305_100000758301 [0,2,0,0,0,0|2,0,0]=4 10853 B10R0.74 CCC(C)OCCOCCF 34a_200015357709_100011215416 [0,2,0,0,0,0|2,0,0]=4 10854 B10R0.74 CCC(C)OCCOCCF 7a_200015357709_100000758301 [0,2,0,0,0,0|2,0,0]=4 10855 B10R0.74 CCC(C)OCCOCCI 34a_100012149058_100011215416 [0,2,0,0,0,0|2,0,0]=4 10856 B10R0.74 CCC(C)OCCOCCI 7a_100012149058_100000758301 [0,2,0,0,0,0|2,0,0]=4 10857 B10R0.74 CCC(C)OCCOCCN 34a_100000211614_100011215416 [0,2,0,0,0,0|2,0,0]=4 10858 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,2,0,0,0,0|1,0,0]=3 10859 B10R0.74 CCC(C)SCCCCC#N 62a_100000758301_100000211819 [0,2,0,0,0,0|1,0,1]=4 10860 B10R0.74 CCC(C)SCCCCC#N 62a_100011219923_100000758301 [0,2,0,0,0,0|1,0,1]=4 10861 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,2,0,0,0,0|0,0,2]=4 10862 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,2,0,0,0,0|0,0,2]=4 10863 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,2,0,0,0,0|1,0,0]=3 10864 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,2,0,0,0,0|1,0,0]=3 10865 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,2,0,0,0,0|0,0,0]=2 10866 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,2,0,0,0,0|0,0,0]=2 10867 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,2,0,0,0,0|1,0,0]=3 10868 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,2,0,0,0,0|1,0,0]=3 10869 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,2,0,0,0,0|1,0,0]=3 10870 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,2,0,0,0,0|1,0,0]=3 10871 B10R0.74 CCC(C)SCOCCOC 62a_100000231047_100000758301 [0,2,0,0,0,0|2,0,0]=4 10872 B10R0.74 CCC(C)SCOCCOC 62a_100000758301_100000231047 [0,2,0,0,0,0|2,0,0]=4 10873 B10R0.74 CCC(O)CNCC#CCO 2230a_100011218483_200000047223 [0,2,0,0,0,0|0,0,2]=4 10874 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,2,0,0,0,0|1,0,1]=4 10875 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,2,0,0,0,0|0,0,2]=4 10876 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,2,0,0,0,0|1,0,0]=3 10877 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,2,0,0,0,0|0,0,0]=2 10878 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,2,0,0,0,0|0,0,0]=2 10879 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,0]=2 10880 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,2,0,0,0,0|1,0,0]=3 10881 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,2,0,0,0,0|1,0,0]=3 10882 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,2,0,0,0,0|1,1,0]=4 10883 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,2,0,0,0,0|1,0,0]=3 10884 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,2,0,0,0,0|1,0,0]=3 10885 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,2,0,0,0,0|1,0,0]=3 10886 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,2,0,0,0,0|1,0,0]=3 10887 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,2,0,0,0,0|1,0,0]=3 10888 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,2,0,0,0,0|1,0,0]=3 10889 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|1,0,0]=3 10890 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,2,0,0,0,0|2,0,0]=4 10891 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,2,0,0,0,0|1,0,0]=3 10892 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|1,1,0]=4 10893 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|1,1,0]=4 10894 B10R0.74 CCC(O)CSCC#CCO 62a_100011218378_200000047223 [0,2,0,0,0,0|0,0,2]=4 10895 B10R0.74 CCC(O)CSCC#CCO 62a_200000047223_100011218378 [0,2,0,0,0,0|0,0,2]=4 10896 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,2,0,0,0,0|1,0,1]=4 10897 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,2,0,0,0,0|1,0,1]=4 10898 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,2,0,0,0,0|0,0,2]=4 10899 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,2,0,0,0,0|0,0,2]=4 10900 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,2,0,0,0,0|1,0,0]=3 10901 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,2,0,0,0,0|1,0,0]=3 10902 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,2,0,0,0,0|0,0,0]=2 10903 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,2,0,0,0,0|0,0,0]=2 10904 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,2,0,0,0,0|1,0,0]=3 10905 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,2,0,0,0,0|1,0,0]=3 10906 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,2,0,0,0,0|0,0,2]=4 10907 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,2,0,0,0,0|0,0,2]=4 10908 B10R0.74 CCCC#CCOC(C)CO 34a_100000034806_100012180447 [0,2,0,0,0,0|0,0,2]=4 10909 B10R0.74 CCCC#CCOC(C)CO 7a_100000034806_100012180447 [0,2,0,0,0,0|0,0,2]=4 10910 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|1,0,0]=3 10911 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|1,0,0]=3 10912 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|1,0,0]=3 10913 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|0,0,0]=2 10914 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|0,0,2]=4 10915 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 10916 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 10917 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 10918 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,2,0,0,0,0|1,0,0]=3 10919 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,2,0,0,0,0|1,0,0]=3 10920 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,2,0,0,0,0|1,0,0]=3 10921 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,2,0,0,0,0|1,0,0]=3 10922 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|0,0,0]=2 10923 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|0,0,0]=2 10924 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|0,0,0]=2 10925 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|0,0,0]=2 10926 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|0,0,0]=2 10927 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,2,0,0,0,0|0,1,0]=3 10928 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,2,0,0,0,0|0,1,0]=3 10929 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,2,0,0,0,0|0,1,0]=3 10930 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,2,0,0,0,0|0,1,0]=3 10931 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,2,0,0,0,0|1,0,0]=3 10932 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,2,0,0,0,0|1,0,0]=3 10933 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,2,0,0,0,0|1,0,0]=3 10934 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,2,0,0,0,0|1,0,0]=3 10935 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,2,0,0,0,0|1,0,0]=3 10936 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,2,0,0,0,0|1,0,0]=3 10937 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,2,0,0,0,0|1,0,0]=3 10938 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,2,0,0,0,0|1,0,0]=3 10939 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,2,0,0,0,0|1,0,0]=3 10940 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 10941 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 10942 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 10943 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 10944 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|0,0,1]=3 10945 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|0,0,1]=3 10946 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,2,0,0,0,0|1,0,1]=4 10947 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,2,0,0,0,0|1,0,1]=4 10948 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,2,0,0,0,0|1,0,0]=3 10949 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,2,0,0,0,0|1,0,0]=3 10950 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,2,0,0,0,0|0,0,0]=2 10951 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,2,0,0,0,0|0,0,0]=2 10952 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,2,0,0,0,0|1,0,1]=4 10953 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,2,0,0,0,0|1,0,1]=4 10954 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,2,0,0,0,0|1,0,0]=3 10955 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,2,0,0,0,0|1,0,0]=3 10956 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,2,0,0,0,0|1,0,0]=3 10957 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,2,0,0,0,0|1,0,0]=3 10958 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,2,0,0,0,0|1,0,0]=3 10959 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,2,0,0,0,0|1,0,0]=3 10960 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|0,0,0]=2 10961 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|0,0,0]=2 10962 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,2,0,0,0,0|1,0,1]=4 10963 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,2,0,0,0,0|1,0,1]=4 10964 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,2,0,0,0,0|1,0,0]=3 10965 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,2,0,0,0,0|1,0,0]=3 10966 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,2,0,0,0,0|0,0,0]=2 10967 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|1,0,0]=3 10968 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|1,0,0]=3 10969 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,2,0,0,0,0|1,0,1]=4 10970 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,2,0,0,0,0|1,0,1]=4 10971 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,2,0,0,0,0|0,0,0]=2 10972 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,2,0,0,0,0|0,0,0]=2 10973 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|1,0,1]=4 10974 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,2,0,0,0,0|1,0,0]=3 10975 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,2,0,0,0,0|1,0,0]=3 10976 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,2,0,0,0,0|1,0,0]=3 10977 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,2,0,0,0,0|0,0,0]=2 10978 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|1,0,0]=3 10979 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|1,0,0]=3 10980 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|0,0,0]=2 10981 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,2,0,0,0,0|1,0,0]=3 10982 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,2,0,0,0,0|0,0,0]=2 10983 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|1,0,0]=3 10984 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,2,0,0,0,0|0,0,0]=2 10985 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|1,0,0]=3 10986 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|0,0,0]=2 10987 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|0,0,0]=2 10988 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,2,0,0,0,0|1,0,1]=4 10989 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|1,0,1]=4 10990 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|1,0,1]=4 10991 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|1,0,1]=4 10992 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|1,0,1]=4 10993 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|1,0,1]=4 10994 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,2,0,0,0,0|1,0,0]=3 10995 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,2,0,0,0,0|1,0,0]=3 10996 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,2,0,0,0,0|1,0,0]=3 10997 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|1,0,0]=3 10998 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,2,0,0,0,0|1,0,0]=3 10999 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|1,0,0]=3 11000 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|1,0,0]=3 11001 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|0,0,0]=2 11002 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|0,0,0]=2 11003 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,2,0,0,0,0|1,0,0]=3 11004 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,2,0,0,0,0|1,0,0]=3 11005 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,2,0,0,0,0|1,0,0]=3 11006 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,2,0,0,0,0|0,0,0]=2 11007 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,2,0,0,0,0|0,0,0]=2 11008 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|1,0,0]=3 11009 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|1,0,0]=3 11010 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|0,0,0]=2 11011 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|0,0,0]=2 11012 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,2,0,0,0,0|1,0,0]=3 11013 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|1,0,1]=4 11014 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|1,0,1]=4 11015 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|1,0,1]=4 11016 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|1,0,1]=4 11017 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,2,0,0,0,0|1,0,0]=3 11018 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,2,0,0,0,0|1,0,0]=3 11019 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|1,0,0]=3 11020 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|1,0,0]=3 11021 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|0,0,0]=2 11022 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|0,0,0]=2 11023 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,2,0,0,0,0|1,0,0]=3 11024 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,2,0,0,0,0|1,0,0]=3 11025 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,2,0,0,0,0|0,0,0]=2 11026 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,2,0,0,0,0|0,0,0]=2 11027 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|1,0,0]=3 11028 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|1,0,0]=3 11029 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|0,0,0]=2 11030 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|0,0,0]=2 11031 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|1,0,1]=4 11032 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|1,0,1]=4 11033 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,2,0,0,0,0|1,0,0]=3 11034 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,2,0,0,0,0|0,0,0]=2 11035 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,2,0,0,0,0|0,0,0]=2 11036 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,2,0,0,0,0|1,0,1]=4 11037 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,2,0,0,0,0|1,0,1]=4 11038 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|1,0,1]=4 11039 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|0,0,1]=3 11040 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|1,0,1]=4 11041 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|1,0,1]=4 11042 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,2,0,0,0,0|1,0,0]=3 11043 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|1,0,0]=3 11044 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 11045 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 11046 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,2,0,0,0,0|2,0,0]=4 11047 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,2,0,0,0,0|1,0,0]=3 11048 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,2,0,0,0,0|2,0,0]=4 11049 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,2,0,0,0,0|2,0,0]=4 11050 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,2,0,0,0,0|2,0,0]=4 11051 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,2,0,0,0,0|2,0,0]=4 11052 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,2,0,0,0,0|1,0,0]=3 11053 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,2,0,0,0,0|2,0,0]=4 11054 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,2,0,0,0,0|2,0,0]=4 11055 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,2,0,0,0,0|1,0,0]=3 11056 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,2,0,0,0,0|1,0,0]=3 11057 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|1,0,1]=4 11058 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|1,0,1]=4 11059 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|1,0,1]=4 11060 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,2,0,0,0,0|1,0,0]=3 11061 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,2,0,0,0,0|1,0,0]=3 11062 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|1,0,1]=4 11063 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|1,0,1]=4 11064 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,2,0,0,0,0|2,0,0]=4 11065 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,2,0,0,0,0|2,0,0]=4 11066 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,2,0,0,0,0|2,0,0]=4 11067 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,2,0,0,0,0|1,0,0]=3 11068 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,2,0,0,0,0|1,0,0]=3 11069 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,2,0,0,0,0|1,0,0]=3 11070 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,2,0,0,0,0|2,0,0]=4 11071 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,2,0,0,0,0|2,0,0]=4 11072 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,2,0,0,0,0|2,0,0]=4 11073 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,2,0,0,0,0|2,0,0]=4 11074 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,2,0,0,0,0|2,0,0]=4 11075 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,2,0,0,0,0|2,0,0]=4 11076 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,2,0,0,0,0|1,0,0]=3 11077 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,2,0,0,0,0|1,0,0]=3 11078 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,2,0,0,0,0|2,0,0]=4 11079 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,2,0,0,0,0|2,0,0]=4 11080 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,2,0,0,0,0|1,0,0]=3 11081 B10R0.74 CCCOCCSC(C)OC 62a_100009879195_100011215938 [0,2,0,0,0,0|2,0,0]=4 11082 B10R0.74 CCCOCCSC(C)OC 62a_100011215938_100009879195 [0,2,0,0,0,0|2,0,0]=4 11083 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,2,0,0,0,0|1,0,0]=3 11084 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,2,0,0,0,0|1,0,0]=3 11085 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|1,0,1]=4 11086 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|1,0,1]=4 11087 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,2,0,0,0,0|2,0,0]=4 11088 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|1,0,1]=4 11089 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|1,0,1]=4 11090 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,2,0,0,0,0|2,0,0]=4 11091 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,2,0,0,0,0|1,0,0]=3 11092 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,2,0,0,0,0|2,0,0]=4 11093 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,2,0,0,0,0|2,0,0]=4 11094 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,2,0,0,0,0|1,0,0]=3 11095 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,2,0,0,0,0|1,0,0]=3 11096 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,2,0,0,0,0|1,0,1]=4 11097 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,2,0,0,0,0|1,0,1]=4 11098 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,2,0,0,0,0|0,0,2]=4 11099 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,2,0,0,0,0|0,0,2]=4 11100 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,2,0,0,0,0|1,0,0]=3 11101 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,2,0,0,0,0|1,0,0]=3 11102 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,2,0,0,0,0|0,0,0]=2 11103 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,2,0,0,0,0|0,0,0]=2 11104 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,2,0,0,0,0|1,0,0]=3 11105 B10R0.74 CCN(C)CCCSCCF 62a_100011217306_100015186262 [0,2,0,0,0,0|2,0,0]=4 11106 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,2,0,0,0,0|1,0,0]=3 11107 B10R0.74 CCN(C)CCCSCOC 62a_100000766300_100015186262 [0,2,0,0,0,0|2,0,0]=4 11108 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,2,0,0,0,0|2,0,0]=4 11109 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,2,0,0,0,0|2,0,0]=4 11110 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|1,0,1]=4 11111 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|1,0,1]=4 11112 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|1,0,1]=4 11113 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|1,0,1]=4 11114 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,0,1]=4 11115 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,0,1]=4 11116 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,2,0,0,0,0|2,0,0]=4 11117 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,2,0,0,0,0|2,0,0]=4 11118 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,2,0,0,0,0|2,0,0]=4 11119 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,2,0,0,0,0|1,0,0]=3 11120 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,2,0,0,0,0|1,0,0]=3 11121 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,2,0,0,0,0|1,0,0]=3 11122 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,2,0,0,0,0|2,0,0]=4 11123 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,2,0,0,0,0|2,0,0]=4 11124 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,2,0,0,0,0|2,0,0]=4 11125 B10R0.74 CCOCCCOC(C)CF 34a_100016041109_100012232248 [0,2,0,0,0,0|2,0,0]=4 11126 B10R0.74 CCOCCCOC(C)CF 7a_100016041109_100012232248 [0,2,0,0,0,0|2,0,0]=4 11127 B10R0.74 CCOCCCOC(C)CN 34a_100000210904_100012232248 [0,2,0,0,0,0|2,0,0]=4 11128 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,2,0,0,0,0|1,0,0]=3 11129 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,2,0,0,0,0|1,0,0]=3 11130 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,2,0,0,0,0|2,0,0]=4 11131 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,2,0,0,0,0|2,0,0]=4 11132 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,2,0,0,0,0|1,0,0]=3 11133 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,2,0,0,0,0|2,0,0]=4 11134 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,2,0,0,0,0|2,0,0]=4 11135 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,2,0,0,0,0|1,0,0]=3 11136 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,2,0,0,0,0|1,0,0]=3 11137 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,2,0,0,0,0|2,0,0]=4 11138 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,2,0,0,0,0|2,0,0]=4 11139 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,2,0,0,0,0|2,0,0]=4 11140 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,2,0,0,0,0|2,0,0]=4 11141 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,2,0,0,0,0|1,0,0]=3 11142 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,2,0,0,0,0|2,0,0]=4 11143 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,2,0,0,0,0|2,0,0]=4 11144 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,2,0,0,0,0|2,0,0]=4 11145 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,2,0,0,0,0|1,0,0]=3 11146 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,2,0,0,0,0|1,0,0]=3 11147 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,2,0,0,0,0|2,0,0]=4 11148 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,2,0,0,0,0|2,0,0]=4 11149 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,2,0,0,0,0|1,0,0]=3 11150 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,2,0,0,0,0|1,0,0]=3 11151 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,2,0,0,0,0|2,0,0]=4 11152 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,2,0,0,0,0|1,0,0]=3 11153 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,2,0,0,0,0|2,0,0]=4 11154 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,2,0,0,0,0|2,0,0]=4 11155 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,2,0,0,0,0|1,0,0]=3 11156 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,2,0,0,0,0|1,0,0]=3 11157 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,2,0,0,0,0|1,0,0]=3 11158 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,2,0,0,0,0|2,0,0]=4 11159 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,2,0,0,0,0|2,0,0]=4 11160 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,2,0,0,0,0|2,0,0]=4 11161 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,2,0,0,0,0|2,0,0]=4 11162 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,2,0,0,0,0|2,0,0]=4 11163 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,2,0,0,0,0|2,0,0]=4 11164 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,2,0,0,0,0|2,0,0]=4 11165 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,2,0,0,0,0|1,0,0]=3 11166 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,2,0,0,0,0|1,0,0]=3 11167 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,2,0,0,0,0|2,0,0]=4 11168 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,2,0,0,0,0|2,0,0]=4 11169 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,2,0,0,0,0|2,0,0]=4 11170 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,2,0,0,0,0|1,0,0]=3 11171 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,2,0,0,0,0|1,0,0]=3 11172 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,2,0,0,0,0|2,0,0]=4 11173 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,2,0,0,0,0|2,0,0]=4 11174 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,2,0,0,0,0|1,0,0]=3 11175 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,2,0,0,0,0|1,0,0]=3 11176 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,2,0,0,0,0|2,0,0]=4 11177 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,2,0,0,0,0|2,0,0]=4 11178 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,2,0,0,0,0|2,0,0]=4 11179 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,2,0,0,0,0|2,0,0]=4 11180 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,2,0,0,0,0|2,0,0]=4 11181 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,2,0,0,0,0|1,0,0]=3 11182 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,2,0,0,0,0|1,0,0]=3 11183 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,2,0,0,0,0|2,0,0]=4 11184 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,2,0,0,0,0|2,0,0]=4 11185 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,2,0,0,0,0|1,0,0]=3 11186 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,2,0,0,0,0|1,0,0]=3 11187 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,2,0,0,0,0|2,0,0]=4 11188 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,2,0,0,0,0|2,0,0]=4 11189 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,2,0,0,0,0|1,0,0]=3 11190 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,2,0,0,0,0|1,0,0]=3 11191 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|1,0,1]=4 11192 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|1,0,1]=4 11193 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,2,0,0,0,0|2,0,0]=4 11194 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,2,0,0,0,0|2,0,0]=4 11195 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,2,0,0,0,0|1,0,0]=3 11196 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,2,0,0,0,0|1,0,0]=3 11197 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,2,0,0,0,0|2,0,0]=4 11198 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,2,0,0,0,0|2,0,0]=4 11199 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,2,0,0,0,0|2,0,0]=4 11200 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,2,0,0,0,0|1,0,0]=3 11201 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,2,0,0,0,0|2,0,0]=4 11202 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,2,0,0,0,0|2,0,0]=4 11203 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,2,0,0,0,0|1,0,0]=3 11204 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,2,0,0,0,0|2,0,0]=4 11205 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,2,0,0,0,0|1,0,0]=3 11206 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,2,0,0,0,0|2,0,0]=4 11207 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,2,0,0,0,0|1,0,0]=3 11208 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,2,0,0,0,0|2,0,0]=4 11209 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,2,0,0,0,0|1,0,0]=3 11210 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,2,0,0,0,0|1,0,0]=3 11211 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,2,0,0,0,0|2,0,0]=4 11212 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,2,0,0,0,0|2,0,0]=4 11213 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,2,0,0,0,0|2,0,0]=4 11214 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,2,0,0,0,0|2,0,0]=4 11215 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,2,0,0,0,0|2,0,0]=4 11216 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,2,0,0,0,0|2,0,0]=4 11217 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,2,0,0,0,0|2,0,0]=4 11218 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,2,0,0,0,0|1,0,0]=3 11219 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,2,0,0,0,0|1,0,0]=3 11220 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,2,0,0,0,0|2,0,0]=4 11221 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,2,0,0,0,0|2,0,0]=4 11222 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,2,0,0,0,0|2,0,0]=4 11223 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,2,0,0,0,0|1,0,0]=3 11224 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,2,0,0,0,0|1,0,0]=3 11225 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,2,0,0,0,0|2,0,0]=4 11226 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,2,0,0,0,0|2,0,0]=4 11227 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,2,0,0,0,0|1,0,0]=3 11228 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,2,0,0,0,0|1,0,0]=3 11229 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,2,0,0,0,0|2,0,0]=4 11230 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,2,0,0,0,0|2,0,0]=4 11231 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,2,0,0,0,0|2,0,0]=4 11232 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,2,0,0,0,0|2,0,0]=4 11233 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,2,0,0,0,0|2,0,0]=4 11234 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,2,0,0,0,0|1,0,0]=3 11235 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,2,0,0,0,0|1,0,0]=3 11236 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,2,0,0,0,0|2,0,0]=4 11237 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,2,0,0,0,0|2,0,0]=4 11238 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,2,0,0,0,0|1,0,0]=3 11239 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,2,0,0,0,0|1,0,0]=3 11240 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,2,0,0,0,0|2,0,0]=4 11241 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,2,0,0,0,0|2,0,0]=4 11242 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,2,0,0,0,0|1,0,0]=3 11243 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,2,0,0,0,0|1,0,0]=3 11244 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,2,0,0,0,0|0,0,0]=2 11245 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,2,0,0,0,0|0,0,0]=2 11246 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,2,0,0,0,0|1,0,0]=3 11247 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,2,0,0,0,0|1,1,0]=4 11248 B10R0.74 CC[C@H](C)COCC#CCO 7a_100009816381_200000047223 [0,2,0,0,0,0|0,0,2]=4 11249 B10R0.74 CC[C@H](C)COCCCC#N 7a_100009816381_100000687738 [0,2,0,0,0,0|1,0,1]=4 11250 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,2,0,0,0,0|0,0,2]=4 11251 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,2,0,0,0,0|1,0,0]=3 11252 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,2,0,0,0,0|1,0,0]=3 11253 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,2,0,0,0,0|1,0,0]=3 11254 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,2,0,0,0,0|1,0,0]=3 11255 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,2,0,0,0,0|1,0,0]=3 11256 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,2,0,0,0,0|1,0,0]=3 11257 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,2,0,0,0,0|1,0,0]=3 11258 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,2,0,0,0,0|1,0,0]=3 11259 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,2,0,0,0,0|0,0,0]=2 11260 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,2,0,0,0,0|2,0,0]=4 11261 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,2,0,0,0,0|1,0,0]=3 11262 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,2,0,0,0,0|1,0,0]=3 11263 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,2,0,0,0,0|1,1,0]=4 11264 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,2,0,0,0,0|1,1,0]=4 11265 B10R0.74 CC[C@H](C)CSCC#CCO 62a_100009816398_200000047223 [0,2,0,0,0,0|0,0,2]=4 11266 B10R0.74 CC[C@H](C)CSCC#CCO 62a_200000047223_100009816398 [0,2,0,0,0,0|0,0,2]=4 11267 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100000687738_100009816398 [0,2,0,0,0,0|1,0,1]=4 11268 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100009816398_100000687738 [0,2,0,0,0,0|1,0,1]=4 11269 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,2,0,0,0,0|0,0,2]=4 11270 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,2,0,0,0,0|0,0,2]=4 11271 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,2,0,0,0,0|1,0,0]=3 11272 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,2,0,0,0,0|1,0,0]=3 11273 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,2,0,0,0,0|0,0,0]=2 11274 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,2,0,0,0,0|0,0,0]=2 11275 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,2,0,0,0,0|1,0,0]=3 11276 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,2,0,0,0,0|1,0,0]=3 11277 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|0,0,1]=3 11278 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,0,1]=4 11279 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,0,1]=4 11280 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,0,1]=4 11281 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,0,1]=4 11282 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|1,0,1]=4 11283 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|1,0,1]=4 11284 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|1,0,1]=4 11285 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|1,0,1]=4 11286 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|1,0,1]=4 11287 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|1,0,1]=4 11288 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|1,0,1]=4 11289 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|1,0,1]=4 11290 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|1,0,1]=4 11291 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|1,0,1]=4 11292 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|1,0,1]=4 11293 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|1,0,1]=4 11294 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 11295 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 11296 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|1,0,1]=4 11297 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|1,0,1]=4 11298 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 11299 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|1,0,1]=4 11300 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|1,0,1]=4 11301 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|1,0,1]=4 11302 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|1,0,1]=4 11303 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|1,0,1]=4 11304 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|1,0,1]=4 11305 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|1,0,1]=4 11306 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|1,0,1]=4 11307 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,2,0,0,0,0|1,0,0]=3 11308 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,2,0,0,0,0|1,0,0]=3 11309 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,2,0,0,0,0|2,0,0]=4 11310 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,2,0,0,0,0|1,0,0]=3 11311 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|1,0,1]=4 11312 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|1,0,1]=4 11313 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|1,0,1]=4 11314 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|1,0,1]=4 11315 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|1,0,1]=4 11316 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|1,0,1]=4 11317 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|1,0,1]=4 11318 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|1,0,1]=4 11319 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|1,0,1]=4 11320 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|1,0,1]=4 11321 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|1,0,1]=4 11322 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|1,0,1]=4 11323 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 11324 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 11325 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 11326 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,1]=4 11327 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,2,0,0,0,0|2,0,0]=4 11328 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,2,0,0,0,0|1,0,0]=3 11329 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,2,0,0,0,0|2,0,0]=4 11330 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,2,0,0,0,0|2,0,0]=4 11331 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,2,0,0,0,0|1,0,0]=3 11332 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,2,0,0,0,0|2,0,0]=4 11333 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,2,0,0,0,0|2,0,0]=4 11334 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,2,0,0,0,0|1,0,0]=3 11335 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,2,0,0,0,0|1,0,0]=3 11336 B10R0.74 COC(C)SCCOCCO 62a_100009879195_100011215305 [0,2,0,0,0,0|2,0,0]=4 11337 B10R0.74 COC(C)SCCOCCO 62a_100011215305_100009879195 [0,2,0,0,0,0|2,0,0]=4 11338 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|1,0,1]=4 11339 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|1,0,1]=4 11340 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|1,0,1]=4 11341 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|1,0,1]=4 11342 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,2,0,0,0,0|1,0,0]=3 11343 B10R0.74 COCCCCOC(C)CF 34a_100016041109_100000755781 [0,2,0,0,0,0|2,0,0]=4 11344 B10R0.74 COCCCCOC(C)CF 7a_100016041109_100000730899 [0,2,0,0,0,0|2,0,0]=4 11345 B10R0.74 COCCCCOC(C)CN 34a_100000210904_100000755781 [0,2,0,0,0,0|2,0,0]=4 11346 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,2,0,0,0,0|1,0,0]=3 11347 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,2,0,0,0,0|1,0,0]=3 11348 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,2,0,0,0,0|2,0,0]=4 11349 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,2,0,0,0,0|2,0,0]=4 11350 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,2,0,0,0,0|1,0,0]=3 11351 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,2,0,0,0,0|1,0,0]=3 11352 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,2,0,0,0,0|1,0,0]=3 11353 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,2,0,0,0,0|1,0,0]=3 11354 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,2,0,0,0,0|1,0,0]=3 11355 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,2,0,0,0,0|2,0,0]=4 11356 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,2,0,0,0,0|1,0,0]=3 11357 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,2,0,0,0,0|2,0,0]=4 11358 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,2,0,0,0,0|1,0,0]=3 11359 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,2,0,0,0,0|1,0,0]=3 11360 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,2,0,0,0,0|2,0,0]=4 11361 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,2,0,0,0,0|2,0,0]=4 11362 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,2,0,0,0,0|2,0,0]=4 11363 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,2,0,0,0,0|1,0,0]=3 11364 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,2,0,0,0,0|1,0,0]=3 11365 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,2,0,0,0,0|2,0,0]=4 11366 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,2,0,0,0,0|1,0,0]=3 11367 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,2,0,0,0,0|2,0,0]=4 11368 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,2,0,0,0,0|1,0,0]=3 11369 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,2,0,0,0,0|1,0,0]=3 11370 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,2,0,0,0,0|1,0,0]=3 11371 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,2,0,0,0,0|1,0,0]=3 11372 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,2,0,0,0,0|2,0,0]=4 11373 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,2,0,0,0,0|2,0,0]=4 11374 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,2,0,0,0,0|1,0,0]=3 11375 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,2,0,0,0,0|1,0,0]=3 11376 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,2,0,0,0,0|1,0,0]=3 11377 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,2,0,0,0,0|1,0,0]=3 11378 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,0,1]=4 11379 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,2,0,0,0,0|2,0,0]=4 11380 B10R0.74 COCCOCN[C@H](C)CO 2230a_100000737577_100000231047 [0,2,0,0,0,0|2,0,0]=4 11381 B10R0.74 COCCOCSC(C)CO 62a_100012180447_100000231047 [0,2,0,0,0,0|2,0,0]=4 11382 B10R0.74 COCCOCS[C@H](C)CO 62a_100000231047_100016084084 [0,2,0,0,0,0|2,0,0]=4 11383 B10R0.74 COCCOCS[C@H](C)CO 62a_100016084084_100000231047 [0,2,0,0,0,0|2,0,0]=4 11384 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,2,0,0,0,0|2,0,0]=4 11385 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,2,0,0,0,0|1,0,0]=3 11386 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,2,0,0,0,0|1,0,0]=3 11387 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,2,0,0,0,0|1,0,0]=3 11388 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,2,0,0,0,0|1,0,0]=3 11389 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,2,0,0,0,0|1,0,0]=3 11390 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,2,0,0,0,0|2,0,0]=4 11391 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,2,0,0,0,0|1,0,0]=3 11392 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,2,0,0,0,0|1,0,0]=3 11393 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,2,0,0,0,0|1,0,0]=3 11394 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,2,0,0,0,0|1,0,0]=3 11395 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,2,0,0,0,0|1,0,0]=3 11396 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,2,0,0,0,0|2,0,0]=4 11397 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,2,0,0,0,0|2,0,0]=4 11398 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,2,0,0,0,0|1,0,0]=3 11399 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,2,0,0,0,0|1,0,0]=3 11400 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,2,0,0,0,0|1,0,0]=3 11401 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,2,0,0,0,0|1,0,0]=3 11402 B10R0.74 CSCOCCC[C@@H](C)CN 34a_100160569302_100011218213 [0,2,0,0,0,0|2,0,0]=4 11403 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,2,0,0,0,0|2,0,0]=4 11404 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,2,0,0,0,0|1,0,0]=3 11405 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,2,0,0,0,0|1,0,0]=3 11406 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,2,0,0,0,0|1,0,0]=3 11407 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,2,0,0,0,0|1,0,0]=3 11408 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,2,0,0,0,0|1,0,0]=3 11409 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,2,0,0,0,0|1,0,0]=3 11410 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,2,0,0,0,0|1,0,0]=3 11411 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,2,0,0,0,0|1,0,0]=3 11412 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,2,0,0,0,0|1,0,0]=3 11413 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,2,0,0,0,0|1,0,0]=3 11414 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000059175_100000687738 [0,2,0,0,0,0|1,0,1]=4 11415 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000687738_100000059175 [0,2,0,0,0,0|1,0,1]=4 11416 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,2,0,0,0,0|1,0,1]=4 11417 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,2,0,0,0,0|1,0,1]=4 11418 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,2,0,0,0,0|1,0,0]=3 11419 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,2,0,0,0,0|1,0,0]=3 11420 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,2,0,0,0,0|1,0,0]=3 11421 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,2,0,0,0,0|1,0,0]=3 11422 B10R0.74 C[C@H](CO)NCCCCC#N 2230a_100000737577_100000211819 [0,2,0,0,0,0|1,0,1]=4 11423 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,2,0,0,0,0|1,0,1]=4 11424 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,2,0,0,0,0|1,0,0]=3 11425 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,2,0,0,0,0|1,0,0]=3 11426 B10R0.74 C[C@H](CO)NCCOCCO 2230a_100000737577_100011215305 [0,2,0,0,0,0|2,0,0]=4 11427 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100011219923_100016084084 [0,2,0,0,0,0|1,0,1]=4 11428 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100016084084_100000211819 [0,2,0,0,0,0|1,0,1]=4 11429 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,2,0,0,0,0|1,0,1]=4 11430 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,2,0,0,0,0|1,0,1]=4 11431 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,2,0,0,0,0|1,0,0]=3 11432 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,2,0,0,0,0|1,0,0]=3 11433 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,2,0,0,0,0|1,0,0]=3 11434 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,2,0,0,0,0|1,0,0]=3 11435 B10R0.74 C[C@H](CO)SCCOCCO 62a_100011215305_100016084084 [0,2,0,0,0,0|2,0,0]=4 11436 B10R0.74 C[C@H](CO)SCCOCCO 62a_100016084084_100011215305 [0,2,0,0,0,0|2,0,0]=4 11437 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,2,0,0,0,0|2,0,0]=4 11438 B10R0.74 N#CC(F)SCCCCCO 62a_100000746330_200000117898 [0,2,0,0,0,0|1,0,1]=4 11439 B10R0.74 N#CC(F)SCCCCCO 62a_200000117898_100000746330 [0,2,0,0,0,0|1,0,1]=4 11440 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|0,0,2]=4 11441 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,2,0,0,0,0|1,0,1]=4 11442 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,2,0,0,0,0|1,0,1]=4 11443 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,2,0,0,0,0|1,0,1]=4 11444 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,2,0,0,0,0|1,0,1]=4 11445 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,2,0,0,0,0|1,0,1]=4 11446 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 11447 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|2,0,0]=4 11448 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 11449 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,2,0,0,0,0|2,0,0]=4 11450 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,2,0,0,0,0|1,0,0]=3 11451 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|0,0,1]=3 11452 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|0,0,1]=3 11453 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|0,0,1]=3 11454 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,1]=4 11455 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,2,0,0,0,0|1,0,1]=4 11456 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,2,0,0,0,0|1,0,1]=4 11457 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,2,0,0,0,0|1,0,1]=4 11458 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,2,0,0,0,0|1,0,1]=4 11459 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,2,0,0,0,0|1,0,1]=4 11460 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,2,0,0,0,0|1,0,0]=3 11461 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 11462 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 11463 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,2,0,0,0,0|1,0,0]=3 11464 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,2,0,0,0,0|1,0,0]=3 11465 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,2,0,0,0,0|1,0,0]=3 11466 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,2,0,0,0,0|1,0,0]=3 11467 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,2,0,0,0,0|1,0,0]=3 11468 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 11469 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 11470 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,2,0,0,0,0|1,0,0]=3 11471 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 11472 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 11473 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 11474 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 11475 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,2,0,0,0,0|1,0,0]=3 11476 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,2,0,0,0,0|1,0,0]=3 11477 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 11478 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,2,0,0,0,0|1,0,0]=3 11479 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,2,0,0,0,0|1,0,0]=3 11480 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,2,0,0,0,0|1,0,0]=3 11481 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 11482 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,2,0,0,0,0|1,0,0]=3 11483 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,2,0,0,0,0|1,0,0]=3 11484 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,2,0,0,0,0|1,0,0]=3 11485 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,2,0,0,0,0|1,0,0]=3 11486 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 11487 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 11488 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,2,0,0,0,0|1,0,0]=3 11489 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,2,0,0,0,0|1,0,0]=3 11490 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,2,0,0,0,0|1,0,0]=3 11491 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,2,0,0,0,0|1,0,0]=3 11492 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,2,0,0,0,0|1,0,0]=3 11493 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,2,0,0,0,0|2,0,0]=4 11494 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,2,0,0,0,0|2,0,0]=4 11495 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,2,0,0,0,0|2,0,0]=4 11496 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,2,0,0,0,0|2,0,0]=4 11497 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,2,0,0,0,0|2,0,0]=4 11498 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,2,0,0,0,0|2,0,0]=4 11499 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,2,0,0,0,0|2,0,0]=4 11500 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,2,0,0,0,0|2,0,0]=4 11501 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|0,0,2]=4 11502 B10R0.75 C=C(C)C(C)NCCCCO 269862a_100000750430_100011216138 [0,2,0,0,0,0|1,0,1]=4 11503 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|1,0,1]=4 11504 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|1,0,1]=4 11505 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|1,0,1]=4 11506 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|1,0,1]=4 11507 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|1,0,1]=4 11508 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|1,0,1]=4 11509 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|1,0,1]=4 11510 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|1,0,1]=4 11511 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|0,0,1]=3 11512 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|0,0,1]=3 11513 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,2,0,0,0,0|1,0,1]=4 11514 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,2,0,0,0,0|1,0,1]=4 11515 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,2,0,0,0,0|1,0,1]=4 11516 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,2,0,0,0,0|1,0,1]=4 11517 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,2,0,0,0,0|1,0,1]=4 11518 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,2,0,0,0,0|1,0,1]=4 11519 B10R0.75 CC(C)C(C)NCCCCF 2230a_100000211541_100000729493 [0,2,0,0,0,0|2,0,0]=4 11520 B10R0.75 CC(C)C(C)NCCCCO 2230a_100000211541_100000210776 [0,2,0,0,0,0|1,0,0]=3 11521 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [0,2,0,0,0,0|2,0,0]=4 11522 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [0,2,0,0,0,0|1,0,0]=3 11523 B10R0.75 CC(C)C(N)CCOCCF 34a_100161115045_100011217306 [0,2,0,0,0,0|2,0,0]=4 11524 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [0,2,0,0,0,0|1,0,0]=3 11525 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [0,2,0,0,0,0|2,0,0]=4 11526 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [0,2,0,0,0,0|2,0,0]=4 11527 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [0,2,0,0,0,0|1,0,0]=3 11528 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [0,2,0,0,0,0|1,0,0]=3 11529 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [0,2,0,0,0,0|2,0,0]=4 11530 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [0,2,0,0,0,0|1,0,0]=3 11531 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [0,2,0,0,0,0|1,0,0]=3 11532 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [0,2,0,0,0,0|1,0,0]=3 11533 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [0,2,0,0,0,0|1,0,0]=3 11534 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [0,2,0,0,0,0|1,0,0]=3 11535 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [0,2,0,0,0,0|1,0,0]=3 11536 B10R0.75 CC(C)N(C)CCOCCO 2230a_100000228057_100000210206 [0,2,0,0,0,0|2,0,0]=4 11537 B10R0.75 CC(C)N(C)CCOCCO 269982a_100000228057_100000210206 [0,2,0,0,0,0|2,0,0]=4 11538 B10R0.75 CC(C)N(C)CCOCCO 269982a_200000211004_100011215305 [0,2,0,0,0,0|2,0,0]=4 11539 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [0,2,0,0,0,0|1,0,0]=3 11540 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [0,2,0,0,0,0|1,0,0]=3 11541 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [0,2,0,0,0,0|1,0,0]=3 11542 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [0,2,0,0,0,0|2,0,0]=4 11543 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [0,2,0,0,0,0|1,0,0]=3 11544 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|1,0,1]=4 11545 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|0,0,1]=3 11546 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,2,0,0,0,0|1,0,1]=4 11547 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,2,0,0,0,0|1,0,1]=4 11548 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,2,0,0,0,0|1,0,1]=4 11549 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|1,0,1]=4 11550 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|1,0,1]=4 11551 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|1,0,1]=4 11552 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|0,0,1]=3 11553 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,1]=3 11554 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,1]=3 11555 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|0,0,2]=4 11556 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,2,0,0,0,0|2,0,0]=4 11557 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,2,0,0,0,0|2,0,0]=4 11558 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,2,0,0,0,0|2,0,0]=4 11559 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,2]=4 11560 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,2]=4 11561 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 11562 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 11563 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,2,0,0,0,0|2,0,0]=4 11564 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,1]=4 11565 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,1]=4 11566 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,1]=4 11567 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,1]=4 11568 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,2,0,0,0,0|2,0,0]=4 11569 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|1,0,1]=4 11570 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,2,0,0,0,0|2,0,0]=4 11571 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|1,0,1]=4 11572 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|1,0,1]=4 11573 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,2,0,0,0,0|2,0,0]=4 11574 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|2,0,0]=4 11575 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,1]=4 11576 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|1,0,1]=4 11577 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|1,0,1]=4 11578 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|2,0,0]=4 11579 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|1,0,1]=4 11580 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|1,0,1]=4 11581 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|1,0,1]=4 11582 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,2,0,0,0,0|2,0,0]=4 11583 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|1,0,1]=4 11584 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,0,1]=4 11585 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,0,1]=4 11586 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|1,0,1]=4 11587 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,0,1]=4 11588 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,0,1]=4 11589 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,0,1]=4 11590 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|1,0,1]=4 11591 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|0,0,1]=3 11592 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|1,0,1]=4 11593 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|1,0,1]=4 11594 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|1,0,1]=4 11595 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|0,0,1]=3 11596 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|1,0,1]=4 11597 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|1,0,1]=4 11598 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,1]=4 11599 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,1]=4 11600 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,2,0,0,0,0|0,0,2]=4 11601 B10R0.78 C=C(C)CCC(C)NCCO 270004a_100000210304_100011215600 [0,2,0,0,0,0|1,0,1]=4 11602 B10R0.78 C=C(C)CCN(C)CCCO 2230a_100000213112_100000730704 [0,2,0,0,0,0|1,0,1]=4 11603 B10R0.78 C=C(C)CCN(C)CCCO 269982a_100000213112_100000730704 [0,2,0,0,0,0|1,0,1]=4 11604 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,2,0,0,0,0|1,0,1]=4 11605 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|1,0,1]=4 11606 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|1,0,1]=4 11607 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,2,0,0,0,0|1,0,1]=4 11608 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,2,0,0,0,0|0,0,1]=3 11609 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,2,0,0,0,0|1,0,1]=4 11610 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,2,0,0,0,0|1,0,1]=4 11611 B10R0.78 CC(C)CCC(C)NCCF 2230a_100138410893_100011217306 [0,2,0,0,0,0|2,0,0]=4 11612 B10R0.78 CC(C)CCC(C)NCCF 34a_100000724931_100011261404 [0,2,0,0,0,0|2,0,0]=4 11613 B10R0.78 CC(C)CCC(C)NCCO 2230a_100016997473_100011261404 [0,2,0,0,0,0|1,0,0]=3 11614 B10R0.78 CC(C)CCC(C)NCCO 2230a_100138410893_100000211926 [0,2,0,0,0,0|1,0,0]=3 11615 B10R0.78 CC(C)CCC(C)NCCO 270004a_100000210304_100000210476 [0,2,0,0,0,0|1,0,0]=3 11616 B10R0.78 CC(C)CCC(C)NCCO 34a_100016990907_100011261404 [0,2,0,0,0,0|1,0,0]=3 11617 B10R0.78 CC(C)CCC(C)OCCBr 34a_100000211926_100011261404 [0,2,0,0,0,0|2,0,0]=4 11618 B10R0.78 CC(C)CCC(C)OCCF 34a_100011215350_100011217306 [0,2,0,0,0,0|2,0,0]=4 11619 B10R0.78 CC(C)CCC(C)OCCF 7a_100011215350_100011217306 [0,2,0,0,0,0|2,0,0]=4 11620 B10R0.78 CC(C)CCC(C)OCCN 34a_100000210304_100011261404 [0,2,0,0,0,0|2,0,0]=4 11621 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [0,2,0,0,0,0|1,0,0]=3 11622 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [0,2,0,0,0,0|1,0,0]=3 11623 B10R0.78 CC(C)CCC(C)SCCF 62a_100011217306_100011261404 [0,2,0,0,0,0|2,0,0]=4 11624 B10R0.78 CC(C)CCC(C)SCCF 62a_100011261404_100011217306 [0,2,0,0,0,0|2,0,0]=4 11625 B10R0.78 CC(C)CCC(C)SCCO 62a_100000211926_100011261404 [0,2,0,0,0,0|1,0,0]=3 11626 B10R0.78 CC(C)CCC(C)SCCO 62a_100011261404_100000211926 [0,2,0,0,0,0|1,0,0]=3 11627 B10R0.78 CC(C)CCN(C)CCCF 2230a_100000742789_100011934791 [0,2,0,0,0,0|2,0,0]=4 11628 B10R0.78 CC(C)CCN(C)CCCF 269982a_100000742789_100011934791 [0,2,0,0,0,0|2,0,0]=4 11629 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000213112_100000210312 [0,2,0,0,0,0|1,0,0]=3 11630 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000742789_100000230001 [0,2,0,0,0,0|1,0,0]=3 11631 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000213112_100000210312 [0,2,0,0,0,0|1,0,0]=3 11632 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000742789_100011215043 [0,2,0,0,0,0|1,0,0]=3 11633 B10R0.78 CC(C)COC(C)CCCCl 34a_200000718107_100000210624 [0,2,0,0,0,0|2,0,0]=4 11634 B10R0.78 CC(C)COC(C)CCCCl 7a_200000718107_100000210760 [0,2,0,0,0,0|2,0,0]=4 11635 B10R0.78 CC(C)NC[C@H](C)CCCO 2230a_100160569302_100000210206 [0,2,0,0,0,0|1,0,0]=3 11636 B10R0.78 CC(C)NC[C@H](C)CCCO 34a_100160569302_100000210206 [0,2,0,0,0,0|1,0,0]=3 11637 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,2,0,0,0,0|1,0,1]=4 11638 B10R0.78 CC(C)OCN(C)CCCO 2230a_100000213112_100000709892 [0,2,0,0,0,0|2,0,0]=4 11639 B10R0.78 CC(C)OCN(C)CCCO 269982a_100000213112_100000709892 [0,2,0,0,0,0|2,0,0]=4 11640 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [0,2,0,0,0,0|1,0,1]=4 11641 B10R0.78 CC(CCCCl)OC[C@@H](C)O 34a_200000718107_100009817552 [0,2,0,0,0,0|2,0,0]=4 11642 B10R0.78 CC(CCCCl)OC[C@@H](C)O 7a_200000718107_100009817552 [0,2,0,0,0,0|2,0,0]=4 11643 B10R0.78 CC(O)CCN(C)CCCO 2230a_100000213112_100012276601 [0,2,0,0,0,0|1,0,0]=3 11644 B10R0.78 CC(O)CCN(C)CCCO 269982a_100000213112_100012276601 [0,2,0,0,0,0|1,0,0]=3 11645 B10R0.78 CC(O)COC(C)CCCCl 34a_200000718107_100011218427 [0,2,0,0,0,0|2,0,0]=4 11646 B10R0.78 CC(O)COC(C)CCCCl 7a_200000718107_100011218427 [0,2,0,0,0,0|2,0,0]=4 11647 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,2,0,0,0,0|1,0,1]=4 11648 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,2,0,0,0,0|1,0,1]=4 11649 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,2,0,0,0,0|0,0,1]=3 11650 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,2,0,0,0,0|1,0,1]=4 11651 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,2,0,0,0,0|1,0,1]=4 11652 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,2,0,0,0,0|1,0,1]=4 11653 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|0,0,2]=4 11654 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|0,0,2]=4 11655 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [0,2,0,0,0,0|2,0,0]=4 11656 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [0,2,0,0,0,0|2,0,0]=4 11657 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|1,0,1]=4 11658 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [0,2,0,0,0,0|2,0,0]=4 11659 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [0,2,0,0,0,0|2,0,0]=4 11660 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [0,2,0,0,0,0|2,0,0]=4 11661 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [0,2,0,0,0,0|2,0,0]=4 11662 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [0,2,0,0,0,0|2,0,0]=4 11663 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,2,0,0,0,0|1,0,0]=3 11664 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,2,0,0,0,0|1,0,0]=3 11665 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,2,0,0,0,0|1,0,0]=3 11666 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,2,0,0,0,0|1,0,0]=3 11667 B10R0.78 CCCCC(C)NCC(F)F 2230a_100000126638_100011934356 [0,2,0,0,0,0|2,0,0]=4 11668 B10R0.78 CCCCC(C)NCC(F)F 270004a_100000765723_100000210087 [0,2,0,0,0,0|2,0,0]=4 11669 B10R0.78 CCCCC(C)NCC(F)F 34a_100000765723_200011215066 [0,2,0,0,0,0|2,0,0]=4 11670 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,2,0,0,0,0|1,0,0]=3 11671 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [0,2,0,0,0,0|2,0,0]=4 11672 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [0,2,0,0,0,0|2,0,0]=4 11673 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [0,2,0,0,0,0|2,0,0]=4 11674 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [0,2,0,0,0,0|2,0,0]=4 11675 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [0,2,0,0,0,0|2,0,0]=4 11676 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,2,0,0,0,0|1,0,0]=3 11677 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,2,0,0,0,0|1,0,0]=3 11678 B10R0.78 CCCCC(C)OCC(F)F 34a_100000687866_100011934356 [0,2,0,0,0,0|2,0,0]=4 11679 B10R0.78 CCCCC(C)OCC(F)F 34a_100000743014_200011215066 [0,2,0,0,0,0|2,0,0]=4 11680 B10R0.78 CCCCC(C)OCC(F)F 7a_100000687866_100011934356 [0,2,0,0,0,0|2,0,0]=4 11681 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [0,2,0,0,0,0|2,0,0]=4 11682 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [0,2,0,0,0,0|2,0,0]=4 11683 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,2,0,0,0,0|1,0,0]=3 11684 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,2,0,0,0,0|1,0,0]=3 11685 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [0,2,0,0,0,0|2,0,0]=4 11686 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [0,2,0,0,0,0|2,0,0]=4 11687 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,2,0,0,0,0|1,0,0]=3 11688 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,2,0,0,0,0|1,0,0]=3 11689 B10R0.78 CCCCC(C)SCC(F)F 62a_100011934356_200011215066 [0,2,0,0,0,0|2,0,0]=4 11690 B10R0.78 CCCCC(C)SCC(F)F 62a_200011215066_100011934356 [0,2,0,0,0,0|2,0,0]=4 11691 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,2,0,0,0,0|1,0,0]=3 11692 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,2,0,0,0,0|1,0,0]=3 11693 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [0,2,0,0,0,0|2,0,0]=4 11694 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [0,2,0,0,0,0|2,0,0]=4 11695 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [0,2,0,0,0,0|2,0,0]=4 11696 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [0,2,0,0,0,0|2,0,0]=4 11697 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [0,2,0,0,0,0|1,0,0]=3 11698 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [0,2,0,0,0,0|1,0,0]=3 11699 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [0,2,0,0,0,0|2,0,0]=4 11700 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,2,0,0,0,0|1,0,1]=4 11701 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [0,2,0,0,0,0|2,0,0]=4 11702 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [0,2,0,0,0,0|2,0,0]=4 11703 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [0,2,0,0,0,0|2,0,0]=4 11704 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [0,2,0,0,0,0|2,0,0]=4 11705 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [0,2,0,0,0,0|2,0,0]=4 11706 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [0,2,0,0,0,0|2,0,0]=4 11707 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [0,2,0,0,0,0|2,0,0]=4 11708 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,2,0,0,0,0|1,0,1]=4 11709 B10R0.78 CCOCC(C)OCC(C)O 34a_100000718985_100011218427 [0,2,0,0,0,0|2,0,0]=4 11710 B10R0.78 CCOCC(C)OCC(C)O 7a_100000718985_100011218427 [0,2,0,0,0,0|2,0,0]=4 11711 B10R0.78 CCOCC(C)OC[C@@H](C)O 34a_100000718985_100009817552 [0,2,0,0,0,0|2,0,0]=4 11712 B10R0.78 CCOCC(C)OC[C@@H](C)O 7a_100000718985_100009817552 [0,2,0,0,0,0|2,0,0]=4 11713 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,2,0,0,0,0|1,0,1]=4 11714 B10R0.78 CCSCC(C)NCC(C)O 270004a_100000210904_200011216171 [0,2,0,0,0,0|2,0,0]=4 11715 B10R0.78 CN(C)CCN(C)CCCO 269982a_100000213112_100000755713 [0,2,0,0,0,0|2,0,0]=4 11716 B10R0.78 CN(C)CCN(C)CCCO 269982a_100000225618_100011215043 [0,2,0,0,0,0|2,0,0]=4 11717 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,2,0,0,0,0|1,0,1]=4 11718 B10R0.78 COCCC(C)NCC(C)O 270004a_100000210904_100000742357 [0,2,0,0,0,0|2,0,0]=4 11719 B10R0.78 COCCN(C)CCC(C)O 2230a_100000743101_100012276601 [0,2,0,0,0,0|2,0,0]=4 11720 B10R0.78 COCCN(C)CCC(C)O 269982a_100000743101_100012276601 [0,2,0,0,0,0|2,0,0]=4 11721 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,2,0,0,0,0|1,0,1]=4 11722 B10R0.78 CSCCC(C)NCC(C)O 270004a_100000210904_100011217047 [0,2,0,0,0,0|2,0,0]=4 11723 B10R0.78 CSCCN(C)CCC(C)O 2230a_100000686725_100012276601 [0,2,0,0,0,0|2,0,0]=4 11724 B10R0.78 CSCCN(C)CCC(C)O 269982a_100000686725_100012276601 [0,2,0,0,0,0|2,0,0]=4 11725 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [0,2,0,0,0,0|1,0,1]=4 11726 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,2,0,0,0,0|1,0,1]=4 11727 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,2,0,0,0,0|1,0,1]=4 11728 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,2,0,0,0,0|1,0,1]=4 11729 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,2,0,0,0,0|1,0,1]=4 11730 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,2,0,0,0,0|1,0,1]=4 11731 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,2,0,0,0,0|1,0,1]=4 11732 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,2,0,0,0,0|1,0,1]=4 11733 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,2,0,0,0,0|1,0,1]=4 11734 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|0,0,2]=4 11735 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|0,0,2]=4 11736 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|1,0,1]=4 11737 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|1,0,1]=4 11738 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|1,0,1]=4 11739 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|1,0,1]=4 11740 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|1,0,1]=4 11741 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|1,0,1]=4 11742 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|1,0,1]=4 11743 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|1,0,1]=4 11744 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|1,0,1]=4 11745 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|1,0,1]=4 11746 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|1,0,1]=4 11747 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|1,0,1]=4 11748 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|1,0,1]=4 11749 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|1,0,1]=4 11750 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|0,0,2]=4 11751 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [0,2,0,0,0,0|2,0,0]=4 11752 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [0,2,0,0,0,0|2,0,0]=4 11753 B10R0.97 CC(C)CCCCNC(C)C 2230a_100138425928_100011216152 [0,2,0,0,0,0|2,0,0]=4 11754 B10R0.97 CC(C)CCCCNC(C)C 34a_100138425928_100011216152 [0,2,0,0,0,0|2,0,0]=4 11755 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [0,2,0,0,0,0|2,0,0]=4 11756 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [0,2,0,0,0,0|2,0,0]=4 11757 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [0,2,0,0,0,0|2,0,0]=4 11758 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [0,2,0,0,0,0|2,0,0]=4 11759 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [0,2,0,0,0,0|2,0,0]=4 11760 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,2,0,0,0,0|1,0,1]=4 11761 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [0,2,0,0,0,0|2,0,0]=4 11762 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [0,2,0,0,0,0|2,0,0]=4 11763 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [0,2,0,0,0,0|2,0,0]=4 11764 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [0,2,0,0,0,0|2,0,0]=4 11765 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [0,2,0,0,0,0|2,0,0]=4 11766 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,2,0,0,0,0|1,0,0]=3 11767 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,2,0,0,0,0|1,0,0]=3 11768 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,2,0,0,0,0|1,0,0]=3 11769 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,2,0,0,0,0|1,0,0]=3 11770 B10R0.97 CC(C)CCCNCC(F)F 2230a_200000737386_100011934356 [0,2,0,0,0,0|2,0,0]=4 11771 B10R0.97 CC(C)CCCNCC(F)F 34a_100000765723_100011214892 [0,2,0,0,0,0|2,0,0]=4 11772 B10R0.97 CC(C)CCCNCC(F)F 34a_200000737386_100011934356 [0,2,0,0,0,0|2,0,0]=4 11773 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,2,0,0,0,0|1,0,0]=3 11774 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,2,0,0,0,0|1,0,0]=3 11775 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [0,2,0,0,0,0|2,0,0]=4 11776 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [0,2,0,0,0,0|2,0,0]=4 11777 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [0,2,0,0,0,0|2,0,0]=4 11778 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [0,2,0,0,0,0|2,0,0]=4 11779 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [0,2,0,0,0,0|2,0,0]=4 11780 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,2,0,0,0,0|1,0,0]=3 11781 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,2,0,0,0,0|1,0,0]=3 11782 B10R0.97 CC(C)CCCOCC(F)F 34a_100000210774_100011934356 [0,2,0,0,0,0|2,0,0]=4 11783 B10R0.97 CC(C)CCCOCC(F)F 34a_100000743014_100011214892 [0,2,0,0,0,0|2,0,0]=4 11784 B10R0.97 CC(C)CCCOCC(F)F 7a_100000210774_100011934356 [0,2,0,0,0,0|2,0,0]=4 11785 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [0,2,0,0,0,0|2,0,0]=4 11786 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [0,2,0,0,0,0|2,0,0]=4 11787 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,2,0,0,0,0|1,0,0]=3 11788 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,2,0,0,0,0|1,0,0]=3 11789 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [0,2,0,0,0,0|2,0,0]=4 11790 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [0,2,0,0,0,0|2,0,0]=4 11791 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,2,0,0,0,0|1,0,0]=3 11792 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,2,0,0,0,0|1,0,0]=3 11793 B10R0.97 CC(C)CCCSCC(F)F 62a_100011214892_100011934356 [0,2,0,0,0,0|2,0,0]=4 11794 B10R0.97 CC(C)CCCSCC(F)F 62a_100011934356_100011214892 [0,2,0,0,0,0|2,0,0]=4 11795 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,2,0,0,0,0|1,0,0]=3 11796 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,2,0,0,0,0|1,0,0]=3 11797 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [0,2,0,0,0,0|2,0,0]=4 11798 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,2,0,0,0,0|1,0,0]=3 11799 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,2,0,0,0,0|1,0,0]=3 11800 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [0,2,0,0,0,0|2,0,0]=4 11801 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [0,2,0,0,0,0|2,0,0]=4 11802 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [0,2,0,0,0,0|2,0,0]=4 11803 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,2,0,0,0,0|1,0,0]=3 11804 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,2,0,0,0,0|1,0,0]=3 11805 B10R0.97 CC(C)CCOCCC(F)F 34a_100103093639_100000210312 [0,2,0,0,0,0|2,0,0]=4 11806 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [0,2,0,0,0,0|2,0,0]=4 11807 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [0,2,0,0,0,0|2,0,0]=4 11808 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,2,0,0,0,0|1,0,0]=3 11809 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,2,0,0,0,0|1,0,0]=3 11810 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,2,0,0,0,0|1,0,0]=3 11811 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,2,0,0,0,0|1,0,0]=3 11812 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,2,0,0,0,0|1,0,0]=3 11813 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,2,0,0,0,0|1,0,0]=3 11814 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,2,0,0,0,0|1,0,0]=3 11815 B10R0.97 CC(C)NCCCCB(O)O 2230a_100138425928_200009817182 [0,2,0,0,0,0|2,0,0]=4 11816 B10R0.97 CC(C)NCCCCB(O)O 34a_100138425928_200009817182 [0,2,0,0,0,0|2,0,0]=4 11817 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [0,2,0,0,0,0|2,0,0]=4 11818 B10R0.97 CC(C)OCCCCB(O)O 34a_100000212225_200009817182 [0,2,0,0,0,0|2,0,0]=4 11819 B10R0.97 CC(C)OCCNC[C@@H](C)O 2230a_100000701111_100009817552 [0,2,0,0,0,0|2,0,0]=4 11820 B10R0.97 CC(C)OCCNC[C@@H](C)O 34a_100000701111_100009817552 [0,2,0,0,0,0|2,0,0]=4 11821 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [0,2,0,0,0,0|2,0,0]=4 11822 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [0,2,0,0,0,0|2,0,0]=4 11823 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100000211751_100009817552 [0,2,0,0,0,0|2,0,0]=4 11824 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100009817552_100000211751 [0,2,0,0,0,0|2,0,0]=4 11825 B10R0.97 CC(C)SCCCCB(O)O 62a_100000210206_200009817182 [0,2,0,0,0,0|2,0,0]=4 11826 B10R0.97 CC(C)SCCCCB(O)O 62a_200009817182_100000210206 [0,2,0,0,0,0|2,0,0]=4 11827 B10R0.97 CC(C)SCCNC[C@@H](C)O 2230a_100000731138_100009817552 [0,2,0,0,0,0|2,0,0]=4 11828 B10R0.97 CC(C)SCCNC[C@@H](C)O 34a_100000731138_100009817552 [0,2,0,0,0,0|2,0,0]=4 11829 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [0,2,0,0,0,0|2,0,0]=4 11830 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [0,2,0,0,0,0|2,0,0]=4 11831 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100000730970_100009817552 [0,2,0,0,0,0|2,0,0]=4 11832 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100009817552_100000730970 [0,2,0,0,0,0|2,0,0]=4 11833 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,2,0,0,0,0|1,0,1]=4 11834 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [0,2,0,0,0,0|1,0,0]=3 11835 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [0,2,0,0,0,0|1,0,0]=3 11836 B10R0.97 CC(O)CCCNCC(F)F 34a_100000765723_200000718107 [0,2,0,0,0,0|2,0,0]=4 11837 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [0,2,0,0,0,0|1,0,0]=3 11838 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [0,2,0,0,0,0|1,0,0]=3 11839 B10R0.97 CC(O)CCCOCC(F)F 34a_100000743014_200000718107 [0,2,0,0,0,0|2,0,0]=4 11840 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [0,2,0,0,0,0|1,0,0]=3 11841 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [0,2,0,0,0,0|1,0,0]=3 11842 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [0,2,0,0,0,0|1,0,0]=3 11843 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [0,2,0,0,0,0|1,0,0]=3 11844 B10R0.97 CC(O)CCCSCC(F)F 62a_100011934356_200000718107 [0,2,0,0,0,0|2,0,0]=4 11845 B10R0.97 CC(O)CCCSCC(F)F 62a_200000718107_100011934356 [0,2,0,0,0,0|2,0,0]=4 11846 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [0,2,0,0,0,0|1,0,0]=3 11847 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [0,2,0,0,0,0|1,0,0]=3 11848 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [0,2,0,0,0,0|1,0,0]=3 11849 B10R0.97 CC(O)CCNCOC(C)C 2230a_200000755665_100000709892 [0,2,0,0,0,0|2,0,0]=4 11850 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [0,2,0,0,0,0|1,0,0]=3 11851 B10R0.97 CC(O)CCOCCC(F)F 34a_100103093639_100012276601 [0,2,0,0,0,0|2,0,0]=4 11852 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,2,0,0,0,0|1,0,0]=3 11853 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [0,2,0,0,0,0|1,0,0]=3 11854 B10R0.97 CC(O)CCSCCN(C)C 62a_100012276601_100000755713 [0,2,0,0,0,0|2,0,0]=4 11855 B10R0.97 CC(O)CCSCOC(C)C 62a_100000709892_100012276601 [0,2,0,0,0,0|2,0,0]=4 11856 B10R0.97 CC(O)CCSCOC(C)C 62a_100012276601_100000709892 [0,2,0,0,0,0|2,0,0]=4 11857 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [0,2,0,0,0,0|2,0,0]=4 11858 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000210904_100000211751 [0,2,0,0,0,0|2,0,0]=4 11859 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000701111_100011218427 [0,2,0,0,0,0|2,0,0]=4 11860 B10R0.97 CC(O)CNCCOC(C)C 34a_100000210904_100000211751 [0,2,0,0,0,0|2,0,0]=4 11861 B10R0.97 CC(O)CNCCOC(C)C 34a_100000701111_100011218427 [0,2,0,0,0,0|2,0,0]=4 11862 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000210904_100000730970 [0,2,0,0,0,0|2,0,0]=4 11863 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000731138_100011218427 [0,2,0,0,0,0|2,0,0]=4 11864 B10R0.97 CC(O)CNCCSC(C)C 34a_100000210904_100000730970 [0,2,0,0,0,0|2,0,0]=4 11865 B10R0.97 CC(O)CNCCSC(C)C 34a_100000731138_100011218427 [0,2,0,0,0,0|2,0,0]=4 11866 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [0,2,0,0,0,0|2,0,0]=4 11867 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [0,2,0,0,0,0|2,0,0]=4 11868 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [0,2,0,0,0,0|2,0,0]=4 11869 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [0,2,0,0,0,0|2,0,0]=4 11870 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [0,2,0,0,0,0|2,0,0]=4 11871 B10R0.97 CC(O)CSCCCN(C)C 62a_100011218427_100000757444 [0,2,0,0,0,0|2,0,0]=4 11872 B10R0.97 CC(O)CSCCOC(C)C 62a_100000211751_100011218427 [0,2,0,0,0,0|2,0,0]=4 11873 B10R0.97 CC(O)CSCCOC(C)C 62a_100011218427_100000211751 [0,2,0,0,0,0|2,0,0]=4 11874 B10R0.97 CC(O)CSCCSC(C)C 62a_100000730970_100011218427 [0,2,0,0,0,0|2,0,0]=4 11875 B10R0.97 CC(O)CSCCSC(C)C 62a_100011218427_100000730970 [0,2,0,0,0,0|2,0,0]=4 11876 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [0,2,0,0,0,0|2,0,0]=4 11877 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [0,2,0,0,0,0|2,0,0]=4 11878 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [0,2,0,0,0,0|2,0,0]=4 11879 B10R0.97 C[C@@H](O)CSCCCN(C)C 62a_100009817552_100000757444 [0,2,0,0,0,0|2,0,0]=4 11880 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|1,0,1]=4 11881 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|1,0,1]=4 11882 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,2,0,0,0,0|0,0,2]=4 11883 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,2,0,0,0,0|0,0,2]=4 11884 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,2,0,0,0,0|1,0,1]=4 11885 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,2,0,0,0,0|1,0,1]=4 11886 B10R0.1 C#CCC(C)OCCCCO 34a_100000685586_100011216708 [0,2,0,0,0,0|0,0,2]=4 11887 B10R0.1 C#CCC(C)OCCCCO 7a_100000685586_100000210776 [0,2,0,0,0,0|0,0,2]=4 11888 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|1,0,1]=4 11889 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|1,0,1]=4 11890 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|0,0,2]=4 11891 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|0,0,2]=4 11892 B10R0.1 C#CCCCCN(C)CCC 2230a_100000747261_100010269958 [0,2,0,0,0,0|1,0,1]=4 11893 B10R0.1 C#CCCCCN(C)CCC 269982a_100000747261_100010269958 [0,2,0,0,0,0|1,0,1]=4 11894 B10R0.1 C#CCCCCN(C)CCO 2230a_100000210263_100010269958 [0,2,0,0,0,0|0,0,2]=4 11895 B10R0.1 C#CCCCCN(C)CCO 269982a_100000210263_100010269958 [0,2,0,0,0,0|0,0,2]=4 11896 B10R0.1 C#CCCCNC(C)CCC 2230a_100000741246_100000731252 [0,2,0,0,0,0|1,0,1]=4 11897 B10R0.1 C#CCCCNC(C)CCC 270004a_100000718082_100000211909 [0,2,0,0,0,0|1,0,1]=4 11898 B10R0.1 C#CCCCNC(C)CCC 34a_100000718082_100000766640 [0,2,0,0,0,0|1,0,1]=4 11899 B10R0.1 C#CCCCNC(C)CCO 34a_100000718082_100009893172 [0,2,0,0,0,0|0,0,2]=4 11900 B10R0.1 C#CCCCN[C@H](C)CCO 2230a_100000706166_100000731252 [0,2,0,0,0,0|0,0,2]=4 11901 B10R0.1 C#CCCCN[C@H](C)CCO 34a_100000706166_100000695029 [0,2,0,0,0,0|0,0,2]=4 11902 B10R0.1 C#CCCCOC(C)CCC 34a_100000215630_100000766640 [0,2,0,0,0,0|1,0,1]=4 11903 B10R0.1 C#CCCCOC(C)CCC 34a_100000764384_100000695029 [0,2,0,0,0,0|1,0,1]=4 11904 B10R0.1 C#CCCCOC(C)CCC 7a_100000215630_100000766640 [0,2,0,0,0,0|1,0,1]=4 11905 B10R0.1 C#CCCCOC(C)CCC 7a_100000764384_100011215417 [0,2,0,0,0,0|1,0,1]=4 11906 B10R0.1 C#CCCCOC(C)CCO 34a_100000215630_100009893172 [0,2,0,0,0,0|0,0,2]=4 11907 B10R0.1 C#CCCCOC(C)CCO 7a_100000215630_100009893172 [0,2,0,0,0,0|0,0,2]=4 11908 B10R0.1 C#CCCCSC(C)CCC 62a_100000766640_100011215417 [0,2,0,0,0,0|1,0,1]=4 11909 B10R0.1 C#CCCCSC(C)CCC 62a_100011215417_100000766640 [0,2,0,0,0,0|1,0,1]=4 11910 B10R0.1 C#CCCCSC(C)CCO 62a_100009893172_100011215417 [0,2,0,0,0,0|0,0,2]=4 11911 B10R0.1 C#CCCCSC(C)CCO 62a_100011215417_100009893172 [0,2,0,0,0,0|0,0,2]=4 11912 B10R0.1 C#CCCNCC(C)CCC 34a_100000755551_100011216630 [0,2,0,0,0,0|1,0,1]=4 11913 B10R0.1 C#CCCOCC(C)CCC 34a_100000688023_100000688953 [0,2,0,0,0,0|1,0,1]=4 11914 B10R0.1 C#CCCOCC(C)CCC 34a_100011215631_100011216630 [0,2,0,0,0,0|1,0,1]=4 11915 B10R0.1 C#CCCOCC(C)CCC 7a_100000688023_100000688953 [0,2,0,0,0,0|1,0,1]=4 11916 B10R0.1 C#CCCOC[C@@H](N)CCC 34a_100000732646_100000688953 [0,2,0,0,0,0|1,0,1]=4 11917 B10R0.1 C#CCCSCC(C)CCC 62a_100000688953_100011216630 [0,2,0,0,0,0|1,0,1]=4 11918 B10R0.1 C#CCCSCC(C)CCC 62a_100011216630_100000688953 [0,2,0,0,0,0|1,0,1]=4 11919 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,2,0,0,0,0|1,0,1]=4 11920 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,2,0,0,0,0|1,0,1]=4 11921 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,2,0,0,0,0|1,0,1]=4 11922 B10R0.1 C#CCN(C)CCCCCO 2230a_100000225692_100000746330 [0,2,0,0,0,0|0,0,2]=4 11923 B10R0.1 C#CCN(C)CCCCCO 2230a_100000722520_100000038162 [0,2,0,0,0,0|0,0,2]=4 11924 B10R0.1 C#CCN(C)CCCCCO 34a_100000225692_100000746330 [0,2,0,0,0,0|0,0,2]=4 11925 B10R0.1 C#CCOCCC(C)CCC 34a_100011217855_100000184674 [0,2,0,0,0,0|1,0,1]=4 11926 B10R0.1 C#CCOCCC(C)CCC 7a_100011217855_100000038162 [0,2,0,0,0,0|1,0,1]=4 11927 B10R0.1 C#CCOCC[C@@H](N)CCC 34a_100015193777_100000184674 [0,2,0,0,0,0|1,0,1]=4 11928 B10R0.1 C/C=C/C(C)OCCCCO 34a_200102604097_100011216708 [0,2,0,0,0,0|0,0,2]=4 11929 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [0,2,0,0,0,0|0,0,2]=4 11930 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|1,0,1]=4 11931 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|1,0,1]=4 11932 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|0,0,2]=4 11933 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|0,0,2]=4 11934 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,2,0,0,0,0|1,0,1]=4 11935 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,2,0,0,0,0|1,0,1]=4 11936 B10R0.1 C=CCC(C)COCCCO 34a_100009832082_100000230001 [0,2,0,0,0,0|0,0,2]=4 11937 B10R0.1 C=CCC(C)COCCCO 7a_100009832082_100011215043 [0,2,0,0,0,0|0,0,2]=4 11938 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|1,0,1]=4 11939 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|1,0,1]=4 11940 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|0,0,2]=4 11941 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|0,0,2]=4 11942 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,2,0,0,0,0|1,0,1]=4 11943 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,2,0,0,0,0|1,0,1]=4 11944 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,2,0,0,0,0|1,0,1]=4 11945 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,2,0,0,0,0|1,0,1]=4 11946 B10R0.1 C=CCCCCN(C)CCO 2230a_100000210263_100011215482 [0,2,0,0,0,0|0,0,2]=4 11947 B10R0.1 C=CCCCCN(C)CCO 2230a_100012000471_100000211926 [0,2,0,0,0,0|0,0,2]=4 11948 B10R0.1 C=CCCCCN(C)CCO 269982a_100000210263_100011215482 [0,2,0,0,0,0|0,0,2]=4 11949 B10R0.1 C=CCCCCN(C)CCO 269982a_100012000471_100000211926 [0,2,0,0,0,0|0,0,2]=4 11950 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,2,0,0,0,0|1,0,1]=4 11951 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,2,0,0,0,0|1,0,1]=4 11952 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,2,0,0,0,0|1,0,1]=4 11953 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,2,0,0,0,0|1,0,1]=4 11954 B10R0.1 C=CCCCNC(C)CCO 2230a_100000700776_100009893172 [0,2,0,0,0,0|0,0,2]=4 11955 B10R0.1 C=CCCCNC(C)CCO 34a_100000700776_100009893172 [0,2,0,0,0,0|0,0,2]=4 11956 B10R0.1 C=CCCCN[C@H](C)CCO 2230a_100000706166_100011713584 [0,2,0,0,0,0|0,0,2]=4 11957 B10R0.1 C=CCCCN[C@H](C)CCO 34a_100000706166_100000757094 [0,2,0,0,0,0|0,0,2]=4 11958 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,2,0,0,0,0|1,0,1]=4 11959 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,2,0,0,0,0|1,0,1]=4 11960 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,2,0,0,0,0|1,0,1]=4 11961 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,2,0,0,0,0|1,0,1]=4 11962 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [0,2,0,0,0,0|0,0,2]=4 11963 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [0,2,0,0,0,0|0,0,2]=4 11964 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,2,0,0,0,0|1,0,1]=4 11965 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,2,0,0,0,0|1,0,1]=4 11966 B10R0.1 C=CCCCSC(C)CCO 62a_100009893172_100000757094 [0,2,0,0,0,0|0,0,2]=4 11967 B10R0.1 C=CCCCSC(C)CCO 62a_100011713584_100009893172 [0,2,0,0,0,0|0,0,2]=4 11968 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,2,0,0,0,0|1,0,1]=4 11969 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,2,0,0,0,0|1,0,1]=4 11970 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,2,0,0,0,0|1,0,1]=4 11971 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,2,0,0,0,0|1,0,1]=4 11972 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,2,0,0,0,0|1,0,1]=4 11973 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,2,0,0,0,0|1,0,1]=4 11974 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,2,0,0,0,0|1,0,1]=4 11975 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,2,0,0,0,0|1,0,1]=4 11976 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,2,0,0,0,0|1,0,1]=4 11977 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,2,0,0,0,0|1,0,1]=4 11978 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,2,0,0,0,0|1,0,1]=4 11979 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,2,0,0,0,0|1,0,1]=4 11980 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [0,2,0,0,0,0|0,0,2]=4 11981 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [0,2,0,0,0,0|0,0,2]=4 11982 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [0,2,0,0,0,0|0,0,2]=4 11983 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [0,2,0,0,0,0|0,0,2]=4 11984 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,2,0,0,0,0|1,0,1]=4 11985 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,2,0,0,0,0|1,0,1]=4 11986 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,2,0,0,0,0|1,0,1]=4 11987 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,2,0,0,0,0|1,0,1]=4 11988 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,2,0,0,0,0|1,0,1]=4 11989 B10R0.1 C=CC[C@@H](C)OCCCCO 34a_100000731007_100011216708 [0,2,0,0,0,0|0,0,2]=4 11990 B10R0.1 C=CC[C@@H](C)OCCCCO 7a_100000731007_100000210776 [0,2,0,0,0,0|0,0,2]=4 11991 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,2,0,0,0,0|1,0,1]=4 11992 B10R0.1 C=CC[C@@H](N)COCCCO 34a_100020615467_100000230001 [0,2,0,0,0,0|0,0,2]=4 11993 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|0,0,2]=4 11994 B10R0.1 CC#CC(C)OCCCCO 34a_100011216543_100011216708 [0,2,0,0,0,0|0,0,2]=4 11995 B10R0.1 CC#CCCOC(C)CCO 34a_100000750427_100009893172 [0,2,0,0,0,0|0,0,2]=4 11996 B10R0.1 CC(CC#N)NCCCCO 2230a_100000750430_100009813641 [0,2,0,0,0,0|1,0,1]=4 11997 B10R0.1 CC(CC#N)SCCCCO 62a_100000210776_100009813641 [0,2,0,0,0,0|1,0,1]=4 11998 B10R0.1 CC(CC#N)SCCCCO 62a_100009813641_100000210776 [0,2,0,0,0,0|1,0,1]=4 11999 B10R0.1 CC(CCBr)OCCCCF 34a_100012276601_100000729493 [0,2,0,0,0,0|2,0,0]=4 12000 B10R0.1 CC(CCBr)OCCCCO 34a_100012276601_100011216708 [0,2,0,0,0,0|1,0,0]=3 12001 B10R0.1 CC(CCN)COCCCF 34a_106354213184_100011934791 [0,2,0,0,0,0|2,0,0]=4 12002 B10R0.1 CC(CCN)COCCCO 34a_106354213184_100000230001 [0,2,0,0,0,0|1,0,0]=3 12003 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,2,0,0,0,0|1,0,0]=3 12004 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,2,0,0,0,0|1,0,0]=3 12005 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,2,0,0,0,0|1,0,0]=3 12006 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,2,0,0,0,0|1,0,0]=3 12007 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,2,0,0,0,0|1,0,0]=3 12008 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,2,0,0,0,0|1,0,0]=3 12009 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,2,0,0,0,0|1,0,0]=3 12010 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,2,0,0,0,0|1,0,0]=3 12011 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,2,0,0,0,0|1,0,0]=3 12012 B10R0.1 CC(CCO)SCCCC#N 62a_100000687738_100009893172 [0,2,0,0,0,0|1,0,1]=4 12013 B10R0.1 CC(CCO)SCCCC#N 62a_100009893172_100000687738 [0,2,0,0,0,0|1,0,1]=4 12014 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [0,2,0,0,0,0|1,0,1]=4 12015 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [0,2,0,0,0,0|1,0,1]=4 12016 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [0,2,0,0,0,0|1,0,0]=3 12017 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [0,2,0,0,0,0|1,0,0]=3 12018 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,2,0,0,0,0|1,0,0]=3 12019 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,2,0,0,0,0|1,0,0]=3 12020 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|0,0,2]=4 12021 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [0,2,0,0,0,0|0,0,2]=4 12022 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [0,2,0,0,0,0|0,0,2]=4 12023 B10R0.1 CC/C=C\CN[C@H](C)CCO 2230a_100000706166_100103147603 [0,2,0,0,0,0|0,0,2]=4 12024 B10R0.1 CC/C=C\CN[C@H](C)CCO 34a_100000706166_100103147603 [0,2,0,0,0,0|0,0,2]=4 12025 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [0,2,0,0,0,0|0,0,2]=4 12026 B10R0.1 CC/C=C\CSC(C)CCO 62a_100009893172_100103147603 [0,2,0,0,0,0|0,0,2]=4 12027 B10R0.1 CC/C=C\CSC(C)CCO 62a_100103147603_100009893172 [0,2,0,0,0,0|0,0,2]=4 12028 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|0,0,2]=4 12029 B10R0.1 CCC#CCN[C@H](C)CCO 2230a_100000706166_100009813939 [0,2,0,0,0,0|0,0,2]=4 12030 B10R0.1 CCC#CCN[C@H](C)CCO 34a_100000706166_100009813939 [0,2,0,0,0,0|0,0,2]=4 12031 B10R0.1 CCC#CCOC(C)CCO 34a_100000032950_100009893172 [0,2,0,0,0,0|0,0,2]=4 12032 B10R0.1 CCC#CCSC(C)CCO 62a_100009813939_100009893172 [0,2,0,0,0,0|0,0,2]=4 12033 B10R0.1 CCC#CCSC(C)CCO 62a_100009893172_100009813939 [0,2,0,0,0,0|0,0,2]=4 12034 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|0,0,2]=4 12035 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|1,0,1]=4 12036 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|1,0,0]=3 12037 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|0,0,0]=2 12038 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|0,0,0]=2 12039 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|0,0,1]=3 12040 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,0,1]=4 12041 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|0,0,1]=3 12042 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|0,0,1]=3 12043 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,2,0,0,0,0|1,0,1]=4 12044 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|1,0,1]=4 12045 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|1,0,1]=4 12046 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,2,0,0,0,0|1,0,1]=4 12047 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,2,0,0,0,0|1,0,1]=4 12048 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,2,0,0,0,0|0,0,1]=3 12049 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,2,0,0,0,0|0,0,1]=3 12050 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|1,0,1]=4 12051 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|1,0,1]=4 12052 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,2,0,0,0,0|0,0,1]=3 12053 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,2,0,0,0,0|0,0,1]=3 12054 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|1,0,1]=4 12055 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|1,0,1]=4 12056 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|1,0,1]=4 12057 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,2,0,0,0,0|1,0,1]=4 12058 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,2,0,0,0,0|1,0,1]=4 12059 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,2,0,0,0,0|1,0,1]=4 12060 B10R0.1 CCCC(C)C=NNCCO 4a_100000210001_100000243154 [0,2,0,0,0,0|1,0,1]=4 12061 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,2,0,0,0,0|1,0,0]=3 12062 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,2,0,0,0,0|1,0,0]=3 12063 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,2,0,0,0,0|1,0,0]=3 12064 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,2,0,0,0,0|1,0,0]=3 12065 B10R0.1 CCCC(C)CCOCC#N 7a_100011217855_100011215382 [0,2,0,0,0,0|1,0,1]=4 12066 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,2,0,0,0,0|0,0,2]=4 12067 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,2,0,0,0,0|0,0,2]=4 12068 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,2,0,0,0,0|1,0,0]=3 12069 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,2,0,0,0,0|1,0,0]=3 12070 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,2,0,0,0,0|0,0,0]=2 12071 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,2,0,0,0,0|0,0,0]=2 12072 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [0,2,0,0,0,0|1,1,0]=4 12073 B10R0.1 CCCC(C)CNCCC#N 270004a_100000720768_100000243154 [0,2,0,0,0,0|1,0,1]=4 12074 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [0,2,0,0,0,0|1,0,0]=3 12075 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [0,2,0,0,0,0|1,0,0]=3 12076 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [0,2,0,0,0,0|1,0,0]=3 12077 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,2,0,0,0,0|0,0,0]=2 12078 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,2,0,0,0,0|1,0,0]=3 12079 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,2,0,0,0,0|1,0,0]=3 12080 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [0,2,0,0,0,0|1,1,0]=4 12081 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [0,2,0,0,0,0|1,1,0]=4 12082 B10R0.1 CCCC(C)COCCC#N 7a_100000688023_100000184422 [0,2,0,0,0,0|1,0,1]=4 12083 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,2,0,0,0,0|1,0,0]=3 12084 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,2,0,0,0,0|1,0,0]=3 12085 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,2,0,0,0,0|1,0,0]=3 12086 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,2,0,0,0,0|1,0,0]=3 12087 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,2,0,0,0,0|1,0,0]=3 12088 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,2,0,0,0,0|1,0,0]=3 12089 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,2,0,0,0,0|0,0,0]=2 12090 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,2,0,0,0,0|0,0,0]=2 12091 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,2,0,0,0,0|1,0,0]=3 12092 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,2,0,0,0,0|1,0,0]=3 12093 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,2,0,0,0,0|1,0,0]=3 12094 B10R0.1 CCCC(C)COCCON 34a_100000700252_100011216630 [0,2,0,0,0,0|1,0,0]=3 12095 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,2,0,0,0,0|1,1,0]=4 12096 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,2,0,0,0,0|1,1,0]=4 12097 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,2,0,0,0,0|1,1,0]=4 12098 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,2,0,0,0,0|1,1,0]=4 12099 B10R0.1 CCCC(C)CSCCC#N 62a_100011215226_100011216630 [0,2,0,0,0,0|1,0,1]=4 12100 B10R0.1 CCCC(C)CSCCC#N 62a_100011216630_100011215226 [0,2,0,0,0,0|1,0,1]=4 12101 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [0,2,0,0,0,0|1,0,0]=3 12102 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [0,2,0,0,0,0|1,0,0]=3 12103 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,2,0,0,0,0|0,0,0]=2 12104 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,2,0,0,0,0|0,0,0]=2 12105 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,2,0,0,0,0|1,0,0]=3 12106 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,2,0,0,0,0|1,0,0]=3 12107 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [0,2,0,0,0,0|1,1,0]=4 12108 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [0,2,0,0,0,0|1,1,0]=4 12109 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [0,2,0,0,0,0|2,0,0]=4 12110 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [0,2,0,0,0,0|2,0,0]=4 12111 B10R0.1 CCCC(C)NCC#CCO 2230a_100000741246_200000047223 [0,2,0,0,0,0|0,0,2]=4 12112 B10R0.1 CCCC(C)NCCCC#N 2230a_100000741246_100000687738 [0,2,0,0,0,0|1,0,1]=4 12113 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,2,0,0,0,0|0,0,2]=4 12114 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [0,2,0,0,0,0|1,0,0]=3 12115 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,2,0,0,0,0|0,0,0]=2 12116 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,2,0,0,0,0|0,0,0]=2 12117 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,2,0,0,0,0|0,0,0]=2 12118 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,2,0,0,0,0|0,0,0]=2 12119 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,2,0,0,0,0|1,0,0]=3 12120 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,2,0,0,0,0|1,0,0]=3 12121 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,2,0,0,0,0|1,0,0]=3 12122 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [0,2,0,0,0,0|1,1,0]=4 12123 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [0,2,0,0,0,0|1,1,0]=4 12124 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [0,2,0,0,0,0|2,0,0]=4 12125 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [0,2,0,0,0,0|2,0,0]=4 12126 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [0,2,0,0,0,0|2,0,0]=4 12127 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [0,2,0,0,0,0|2,0,0]=4 12128 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [0,2,0,0,0,0|2,0,0]=4 12129 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [0,2,0,0,0,0|2,0,0]=4 12130 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [0,2,0,0,0,0|2,0,0]=4 12131 B10R0.1 CCCC(C)OCC#CCO 34a_100000764384_200000047223 [0,2,0,0,0,0|0,0,2]=4 12132 B10R0.1 CCCC(C)OCC#CCO 7a_100000764384_200000047223 [0,2,0,0,0,0|0,0,2]=4 12133 B10R0.1 CCCC(C)OCCCC#N 7a_100000764384_100000687738 [0,2,0,0,0,0|1,0,1]=4 12134 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,2,0,0,0,0|0,0,2]=4 12135 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,2,0,0,0,0|1,0,0]=3 12136 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,2,0,0,0,0|1,0,0]=3 12137 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,2,0,0,0,0|1,0,0]=3 12138 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,2,0,0,0,0|1,0,0]=3 12139 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,2,0,0,0,0|1,0,0]=3 12140 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,2,0,0,0,0|1,0,0]=3 12141 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,2,0,0,0,0|1,0,0]=3 12142 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,2,0,0,0,0|1,0,0]=3 12143 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,2,0,0,0,0|1,0,0]=3 12144 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,2,0,0,0,0|0,0,0]=2 12145 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,2,0,0,0,0|0,0,0]=2 12146 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,2,0,0,0,0|2,0,0]=4 12147 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,2,0,0,0,0|1,0,0]=3 12148 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,2,0,0,0,0|1,0,0]=3 12149 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,2,0,0,0,0|1,0,0]=3 12150 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,2,0,0,0,0|1,1,0]=4 12151 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,2,0,0,0,0|1,1,0]=4 12152 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,2,0,0,0,0|2,0,0]=4 12153 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,2,0,0,0,0|2,0,0]=4 12154 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,2,0,0,0,0|2,0,0]=4 12155 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,2,0,0,0,0|2,0,0]=4 12156 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,2,0,0,0,0|2,0,0]=4 12157 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,2,0,0,0,0|2,0,0]=4 12158 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,2,0,0,0,0|2,0,0]=4 12159 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,2,0,0,0,0|2,0,0]=4 12160 B10R0.1 CCCC(C)SCC#CCO 62a_100000766640_200000047223 [0,2,0,0,0,0|0,0,2]=4 12161 B10R0.1 CCCC(C)SCC#CCO 62a_200000047223_100000766640 [0,2,0,0,0,0|0,0,2]=4 12162 B10R0.1 CCCC(C)SCCCC#N 62a_100000687738_100000766640 [0,2,0,0,0,0|1,0,1]=4 12163 B10R0.1 CCCC(C)SCCCC#N 62a_100000766640_100000687738 [0,2,0,0,0,0|1,0,1]=4 12164 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,2,0,0,0,0|0,0,2]=4 12165 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,2,0,0,0,0|0,0,2]=4 12166 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [0,2,0,0,0,0|1,0,0]=3 12167 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [0,2,0,0,0,0|1,0,0]=3 12168 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,2,0,0,0,0|0,0,0]=2 12169 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,2,0,0,0,0|0,0,0]=2 12170 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,2,0,0,0,0|1,0,0]=3 12171 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,2,0,0,0,0|1,0,0]=3 12172 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [0,2,0,0,0,0|2,0,0]=4 12173 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [0,2,0,0,0,0|2,0,0]=4 12174 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [0,2,0,0,0,0|2,0,0]=4 12175 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [0,2,0,0,0,0|2,0,0]=4 12176 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|0,0,2]=4 12177 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|1,0,1]=4 12178 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|1,0,1]=4 12179 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|1,0,0]=3 12180 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|1,0,0]=3 12181 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|1,0,0]=3 12182 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,0]=2 12183 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,0]=2 12184 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,1]=3 12185 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,1,1]=4 12186 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 12187 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 12188 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 12189 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,2,0,0,0,0|1,0,0]=3 12190 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,2,0,0,0,0|1,0,0]=3 12191 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,2,0,0,0,0|1,0,0]=3 12192 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,2,0,0,0,0|1,0,0]=3 12193 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,2,0,0,0,0|1,0,0]=3 12194 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|1,0,0]=3 12195 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|1,0,0]=3 12196 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|1,0,0]=3 12197 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|1,0,0]=3 12198 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|1,0,0]=3 12199 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,2,0,0,0,0|1,0,0]=3 12200 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,2,0,0,0,0|1,0,0]=3 12201 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,2,0,0,0,0|1,0,0]=3 12202 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,2,0,0,0,0|1,0,0]=3 12203 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,2,0,0,0,0|1,0,1]=4 12204 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,2,0,0,0,0|1,0,1]=4 12205 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,2,0,0,0,0|1,0,1]=4 12206 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,2,0,0,0,0|0,0,2]=4 12207 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,2,0,0,0,0|0,0,2]=4 12208 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,2,0,0,0,0|1,0,0]=3 12209 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,2,0,0,0,0|1,0,0]=3 12210 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,2,0,0,0,0|1,0,0]=3 12211 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,2,0,0,0,0|1,0,0]=3 12212 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,2,0,0,0,0|1,0,0]=3 12213 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,2,0,0,0,0|1,0,0]=3 12214 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|0,0,0]=2 12215 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|0,0,0]=2 12216 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|0,0,0]=2 12217 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|0,0,0]=2 12218 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|1,0,0]=3 12219 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|1,0,0]=3 12220 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,2,0,0,0,0|1,1,0]=4 12221 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,2,0,0,0,0|1,1,0]=4 12222 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 12223 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 12224 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 12225 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 12226 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|0,0,1]=3 12227 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 12228 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 12229 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 12230 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|1,0,1]=4 12231 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|1,0,1]=4 12232 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,2,0,0,0,0|1,0,1]=4 12233 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,2,0,0,0,0|1,0,0]=3 12234 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,2,0,0,0,0|1,0,0]=3 12235 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,2,0,0,0,0|1,0,0]=3 12236 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,2,0,0,0,0|0,0,0]=2 12237 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|1,0,0]=3 12238 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|1,0,0]=3 12239 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,2,0,0,0,0|1,1,0]=4 12240 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,2,0,0,0,0|1,0,1]=4 12241 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,2,0,0,0,0|0,0,0]=2 12242 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,2,0,0,0,0|0,0,0]=2 12243 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|1,0,0]=3 12244 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,2,0,0,0,0|1,0,1]=4 12245 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,2,0,0,0,0|1,0,0]=3 12246 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,2,0,0,0,0|1,0,0]=3 12247 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,2,0,0,0,0|1,0,0]=3 12248 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,2,0,0,0,0|1,0,0]=3 12249 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,2,0,0,0,0|1,0,0]=3 12250 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,2,0,0,0,0|0,0,0]=2 12251 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,2,0,0,0,0|0,0,0]=2 12252 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 12253 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 12254 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|1,0,0]=3 12255 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,2,0,0,0,0|1,0,1]=4 12256 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,2,0,0,0,0|1,0,1]=4 12257 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,2,0,0,0,0|1,0,0]=3 12258 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,2,0,0,0,0|1,0,0]=3 12259 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,2,0,0,0,0|0,0,0]=2 12260 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,2,0,0,0,0|0,0,0]=2 12261 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|1,0,0]=3 12262 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|1,0,0]=3 12263 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|1,0,1]=4 12264 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|1,0,1]=4 12265 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,1]=4 12266 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,1]=4 12267 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,2,0,0,0,0|1,0,0]=3 12268 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,2,0,0,0,0|1,0,0]=3 12269 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,2,0,0,0,0|1,0,0]=3 12270 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|1,0,0]=3 12271 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|1,0,0]=3 12272 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|1,0,0]=3 12273 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,2,0,0,0,0|1,0,1]=4 12274 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,2,0,0,0,0|1,0,1]=4 12275 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|1,0,1]=4 12276 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|1,0,1]=4 12277 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|1,0,1]=4 12278 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|1,0,1]=4 12279 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|1,0,1]=4 12280 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|0,0,1]=3 12281 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|0,0,1]=3 12282 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,1]=4 12283 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,1]=4 12284 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,1]=4 12285 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,2,0,0,0,0|1,0,0]=3 12286 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,2,0,0,0,0|1,0,0]=3 12287 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,2,0,0,0,0|1,0,0]=3 12288 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,2,0,0,0,0|1,0,0]=3 12289 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,2,0,0,0,0|1,0,0]=3 12290 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,2,0,0,0,0|2,0,0]=4 12291 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,2,0,0,0,0|2,0,0]=4 12292 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,2,0,0,0,0|2,0,0]=4 12293 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,2,0,0,0,0|2,0,0]=4 12294 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|1,0,0]=3 12295 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|1,0,0]=3 12296 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|1,0,0]=3 12297 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 12298 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 12299 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,2,0,0,0,0|1,0,0]=3 12300 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,2,0,0,0,0|1,0,0]=3 12301 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|1,0,0]=3 12302 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,2,0,0,0,0|1,0,1]=4 12303 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|1,0,1]=4 12304 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|1,0,1]=4 12305 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|1,0,1]=4 12306 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|1,0,1]=4 12307 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|0,0,1]=3 12308 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,1]=4 12309 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,1]=4 12310 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,2,0,0,0,0|1,0,0]=3 12311 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,2,0,0,0,0|1,0,0]=3 12312 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|1,0,0]=3 12313 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|1,0,0]=3 12314 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,2,0,0,0,0|1,0,1]=4 12315 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,2,0,0,0,0|1,0,1]=4 12316 B10R0.1 CCCN(C)CCCCC#N 2230a_100000747261_100000211819 [0,2,0,0,0,0|1,0,1]=4 12317 B10R0.1 CCCN(C)CCCCC#N 269982a_100000747261_100011219923 [0,2,0,0,0,0|1,0,1]=4 12318 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,2,0,0,0,0|0,0,2]=4 12319 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,2,0,0,0,0|0,0,2]=4 12320 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,2,0,0,0,0|1,0,0]=3 12321 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,2,0,0,0,0|1,0,0]=3 12322 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,2,0,0,0,0|0,0,0]=2 12323 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,2,0,0,0,0|0,0,0]=2 12324 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,2,0,0,0,0|0,0,0]=2 12325 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,2,0,0,0,0|0,0,0]=2 12326 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,2,0,0,0,0|1,0,0]=3 12327 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,2,0,0,0,0|1,0,0]=3 12328 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,2,0,0,0,0|2,0,0]=4 12329 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,2,0,0,0,0|2,0,0]=4 12330 B10R0.1 CCCN(C)CCOCCO 2230a_100000228057_100000210303 [0,2,0,0,0,0|1,0,0]=3 12331 B10R0.1 CCCN(C)CCOCCO 2230a_100000747261_100011215305 [0,2,0,0,0,0|1,0,0]=3 12332 B10R0.1 CCCN(C)CCOCCO 269982a_100000228057_100000210303 [0,2,0,0,0,0|1,0,0]=3 12333 B10R0.1 CCCN(C)CCOCCO 269982a_100000747261_100011215305 [0,2,0,0,0,0|1,0,0]=3 12334 B10R0.1 CCCN(C)COCCOC 2230a_100000747261_100000231047 [0,2,0,0,0,0|2,0,0]=4 12335 B10R0.1 CCCN(C)COCCOC 269982a_100000747261_100000231047 [0,2,0,0,0,0|2,0,0]=4 12336 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|1,0,1]=4 12337 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|0,0,1]=3 12338 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|1,0,1]=4 12339 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,2,0,0,0,0|1,0,0]=3 12340 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,2,0,0,0,0|1,0,0]=3 12341 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 12342 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 12343 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,2,0,0,0,0|1,0,0]=3 12344 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,2,0,0,0,0|1,0,0]=3 12345 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,2,0,0,0,0|1,0,0]=3 12346 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,2,0,0,0,0|0,0,2]=4 12347 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,2,0,0,0,0|1,0,0]=3 12348 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,2,0,0,0,0|0,0,0]=2 12349 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [0,2,0,0,0,0|1,1,0]=4 12350 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,2,0,0,0,0|1,0,0]=3 12351 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,2,0,0,0,0|0,0,0]=2 12352 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|1,0,0]=3 12353 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,2,0,0,0,0|1,1,0]=4 12354 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|0,0,1]=3 12355 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,2,0,0,0,0|1,0,1]=4 12356 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,2,0,0,0,0|1,0,1]=4 12357 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,2,0,0,0,0|1,0,1]=4 12358 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,2,0,0,0,0|1,0,1]=4 12359 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,2,0,0,0,0|1,0,1]=4 12360 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,2,0,0,0,0|1,0,1]=4 12361 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,2,0,0,0,0|1,0,1]=4 12362 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,2,0,0,0,0|1,0,1]=4 12363 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,2,0,0,0,0|1,0,1]=4 12364 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,2,0,0,0,0|1,0,1]=4 12365 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,2,0,0,0,0|1,0,1]=4 12366 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,2,0,0,0,0|1,0,1]=4 12367 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,2,0,0,0,0|1,0,1]=4 12368 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,2,0,0,0,0|1,0,1]=4 12369 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|1,0,1]=4 12370 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|1,0,1]=4 12371 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|1,0,1]=4 12372 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|1,0,1]=4 12373 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|1,0,1]=4 12374 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|1,0,1]=4 12375 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|1,0,1]=4 12376 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|0,0,1]=3 12377 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|1,0,1]=4 12378 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,2,0,0,0,0|1,0,0]=3 12379 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,2,0,0,0,0|1,0,0]=3 12380 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,2,0,0,0,0|1,0,1]=4 12381 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,2,0,0,0,0|1,0,0]=3 12382 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,2,0,0,0,0|1,0,0]=3 12383 B10R0.1 CCOCCNC(C)COC 2230a_102516460346_100000765312 [0,2,0,0,0,0|2,0,0]=4 12384 B10R0.1 CCOCCNC(C)COC 270004a_102516460346_100000749346 [0,2,0,0,0,0|2,0,0]=4 12385 B10R0.1 CCOCCNC(C)COC 34a_102516460346_100000765312 [0,2,0,0,0,0|2,0,0]=4 12386 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,2,0,0,0,0|1,0,0]=3 12387 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,2,0,0,0,0|1,0,0]=3 12388 B10R0.1 CCOCCN[C@H](C)COC 2230a_100000764878_100011215890 [0,2,0,0,0,0|2,0,0]=4 12389 B10R0.1 CCOCCOC(C)CCBr 34a_100012276601_100000210147 [0,2,0,0,0,0|2,0,0]=4 12390 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,2,0,0,0,0|1,0,0]=3 12391 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,2,0,0,0,0|1,0,0]=3 12392 B10R0.1 CCOCCOC(C)COC 34a_100000210136_100000765312 [0,2,0,0,0,0|2,0,0]=4 12393 B10R0.1 CCOCCOC(C)COC 7a_100000210136_100000765312 [0,2,0,0,0,0|2,0,0]=4 12394 B10R0.1 CCOCCO[C@H](C)COC 34a_100011934205_100000210147 [0,2,0,0,0,0|2,0,0]=4 12395 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,2,0,0,0,0|1,0,0]=3 12396 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,2,0,0,0,0|1,0,0]=3 12397 B10R0.1 CCOCCSC(C)COC 62a_100000210147_100000765312 [0,2,0,0,0,0|2,0,0]=4 12398 B10R0.1 CCOCCSC(C)COC 62a_100000765312_100011215890 [0,2,0,0,0,0|2,0,0]=4 12399 B10R0.1 CCOCSCC(O)COC 62a_100000739092_100011215053 [0,2,0,0,0,0|2,0,0]=4 12400 B10R0.1 CCOCSCC(O)COC 62a_100011215053_100000739092 [0,2,0,0,0,0|2,0,0]=4 12401 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|1,0,1]=4 12402 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,2,0,0,0,0|1,0,0]=3 12403 B10R0.1 CCSCCNC(C)COC 2230a_100000106463_100000765312 [0,2,0,0,0,0|2,0,0]=4 12404 B10R0.1 CCSCCNC(C)COC 270004a_100000106463_100000749346 [0,2,0,0,0,0|2,0,0]=4 12405 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,2,0,0,0,0|1,0,0]=3 12406 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,2,0,0,0,0|1,0,0]=3 12407 B10R0.1 CCSCCN[C@H](C)COC 2230a_100000764878_100000757381 [0,2,0,0,0,0|2,0,0]=4 12408 B10R0.1 CCSCCOC(C)CCBr 34a_100012276601_100000757381 [0,2,0,0,0,0|2,0,0]=4 12409 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,2,0,0,0,0|1,0,0]=3 12410 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,2,0,0,0,0|1,0,0]=3 12411 B10R0.1 CCSCCOC(C)COC 34a_100000212035_100000765312 [0,2,0,0,0,0|2,0,0]=4 12412 B10R0.1 CCSCCOC(C)COC 7a_100000212035_100000765312 [0,2,0,0,0,0|2,0,0]=4 12413 B10R0.1 CCSCCO[C@H](C)COC 34a_100011934205_100000757381 [0,2,0,0,0,0|2,0,0]=4 12414 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,2,0,0,0,0|1,0,0]=3 12415 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,2,0,0,0,0|1,0,0]=3 12416 B10R0.1 CCSCCSC(C)COC 62a_100000757381_100000765312 [0,2,0,0,0,0|2,0,0]=4 12417 B10R0.1 CCSCCSC(C)COC 62a_100000765312_100000757381 [0,2,0,0,0,0|2,0,0]=4 12418 B10R0.1 CN(CC#N)CCCCCO 2230a_100000722520_100011215382 [0,2,0,0,0,0|1,0,1]=4 12419 B10R0.1 CN(CC#N)CCCCCO 2230a_100000748184_100000746330 [0,2,0,0,0,0|1,0,1]=4 12420 B10R0.1 CN(CC#N)CCCCCO 269982a_100000722520_100011214920 [0,2,0,0,0,0|1,0,1]=4 12421 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [0,2,0,0,0,0|1,0,1]=4 12422 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [0,2,0,0,0,0|1,0,1]=4 12423 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [0,2,0,0,0,0|1,0,0]=3 12424 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [0,2,0,0,0,0|1,0,0]=3 12425 B10R0.1 CN(CCF)CCOCCO 2230a_100000228057_100011217306 [0,2,0,0,0,0|2,0,0]=4 12426 B10R0.1 CN(CCF)CCOCCO 269982a_100000228057_100011217306 [0,2,0,0,0,0|2,0,0]=4 12427 B10R0.1 CN(CCO)CCCCC#N 2230a_100000210263_100000211819 [0,2,0,0,0,0|1,0,1]=4 12428 B10R0.1 CN(CCO)CCCCC#N 269982a_100000210263_100011219923 [0,2,0,0,0,0|1,0,1]=4 12429 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [0,2,0,0,0,0|1,0,1]=4 12430 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [0,2,0,0,0,0|1,0,1]=4 12431 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,2,0,0,0,0|1,0,0]=3 12432 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,2,0,0,0,0|1,0,0]=3 12433 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,2,0,0,0,0|1,0,0]=3 12434 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,2,0,0,0,0|1,0,0]=3 12435 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,2,0,0,0,0|1,0,0]=3 12436 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,2,0,0,0,0|1,0,0]=3 12437 B10R0.1 CN(CCO)CCOCCO 2230a_100000210263_100011215305 [0,2,0,0,0,0|2,0,0]=4 12438 B10R0.1 CN(CCO)CCOCCO 2230a_100000228057_100000211926 [0,2,0,0,0,0|2,0,0]=4 12439 B10R0.1 CN(CCO)CCOCCO 269982a_100000210263_100011215305 [0,2,0,0,0,0|2,0,0]=4 12440 B10R0.1 CN(CCO)CCOCCO 269982a_100000228057_100000211926 [0,2,0,0,0,0|2,0,0]=4 12441 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,2,0,0,0,0|1,0,0]=3 12442 B10R0.1 CNCCCOC(C)COC 34a_100000213112_100000765312 [0,2,0,0,0,0|2,0,0]=4 12443 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|1,0,1]=4 12444 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|1,0,1]=4 12445 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|0,0,1]=3 12446 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|1,0,1]=4 12447 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|1,0,1]=4 12448 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|1,0,1]=4 12449 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [0,2,0,0,0,0|1,0,0]=3 12450 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [0,2,0,0,0,0|1,0,0]=3 12451 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [0,2,0,0,0,0|1,0,0]=3 12452 B10R0.1 COCC(C)NCCCSC 2230a_100000749238_100000765312 [0,2,0,0,0,0|2,0,0]=4 12453 B10R0.1 COCC(C)NCCCSC 270004a_100000749238_100000749346 [0,2,0,0,0,0|2,0,0]=4 12454 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,2,0,0,0,0|2,0,0]=4 12455 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 12456 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 12457 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,2,0,0,0,0|2,0,0]=4 12458 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,2,0,0,0,0|2,0,0]=4 12459 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,2,0,0,0,0|2,0,0]=4 12460 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 12461 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,2,0,0,0,0|2,0,0]=4 12462 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,2,0,0,0,0|2,0,0]=4 12463 B10R0.1 COCC(C)SCCCCF 62a_100000729493_100000765312 [0,2,0,0,0,0|2,0,0]=4 12464 B10R0.1 COCC(C)SCCCCF 62a_100000765312_100000729493 [0,2,0,0,0,0|2,0,0]=4 12465 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [0,2,0,0,0,0|1,0,0]=3 12466 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [0,2,0,0,0,0|1,0,0]=3 12467 B10R0.1 COCC(N)COCCCF 34a_100000724102_100011934791 [0,2,0,0,0,0|2,0,0]=4 12468 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,2,0,0,0,0|1,0,0]=3 12469 B10R0.1 COCC(N)COCCSC 34a_100000724102_100000212216 [0,2,0,0,0,0|2,0,0]=4 12470 B10R0.1 COCC(O)CNCCCF 2230a_100000756049_100011934791 [0,2,0,0,0,0|2,0,0]=4 12471 B10R0.1 COCC(O)CNCCCF 34a_100000756049_100011934791 [0,2,0,0,0,0|2,0,0]=4 12472 B10R0.1 COCC(O)CNCCCF 34a_100015189416_100011215053 [0,2,0,0,0,0|2,0,0]=4 12473 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,2,0,0,0,0|1,0,0]=3 12474 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,2,0,0,0,0|1,0,0]=3 12475 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,2,0,0,0,0|2,0,0]=4 12476 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,2,0,0,0,0|2,0,0]=4 12477 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,2,0,0,0,0|2,0,0]=4 12478 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,2,0,0,0,0|2,0,0]=4 12479 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,2,0,0,0,0|2,0,0]=4 12480 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,2,0,0,0,0|2,0,0]=4 12481 B10R0.1 COCC(O)COCCON 34a_100000700252_100011215053 [0,2,0,0,0,0|2,0,0]=4 12482 B10R0.1 COCC(O)COCCSC 34a_100000230434_100011215053 [0,2,0,0,0,0|2,0,0]=4 12483 B10R0.1 COCC(O)COCCSC 7a_100000230434_100011215053 [0,2,0,0,0,0|2,0,0]=4 12484 B10R0.1 COCC(O)CSCCCF 62a_100011215053_100011934791 [0,2,0,0,0,0|2,0,0]=4 12485 B10R0.1 COCC(O)CSCCCF 62a_100011934791_100011215053 [0,2,0,0,0,0|2,0,0]=4 12486 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,2,0,0,0,0|1,0,0]=3 12487 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,2,0,0,0,0|1,0,0]=3 12488 B10R0.1 COCC(O)CSCCSC 62a_100000212216_100011215053 [0,2,0,0,0,0|2,0,0]=4 12489 B10R0.1 COCC(O)CSCCSC 62a_100011215053_100000751147 [0,2,0,0,0,0|2,0,0]=4 12490 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|0,0,1]=3 12491 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|1,0,1]=4 12492 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|1,0,1]=4 12493 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,2,0,0,0,0|1,0,0]=3 12494 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,2,0,0,0,0|1,0,0]=3 12495 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|1,0,1]=4 12496 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [0,2,0,0,0,0|1,0,0]=3 12497 B10R0.1 COCCCNC(C)COC 270004a_100150723488_100000749346 [0,2,0,0,0,0|2,0,0]=4 12498 B10R0.1 COCCCNC(C)COC 34a_100150723488_100000765312 [0,2,0,0,0,0|2,0,0]=4 12499 B10R0.1 COCCCNC(C)CSC 270004a_100150723488_100011216314 [0,2,0,0,0,0|2,0,0]=4 12500 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [0,2,0,0,0,0|1,0,0]=3 12501 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [0,2,0,0,0,0|1,0,0]=3 12502 B10R0.1 COCCCN[C@H](C)COC 2230a_100000764878_100000740836 [0,2,0,0,0,0|2,0,0]=4 12503 B10R0.1 COCCCOC(C)CCBr 34a_100012276601_100000740836 [0,2,0,0,0,0|2,0,0]=4 12504 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,2,0,0,0,0|1,0,0]=3 12505 B10R0.1 COCCCOC(C)COC 34a_100000740835_100000765312 [0,2,0,0,0,0|2,0,0]=4 12506 B10R0.1 COCCCO[C@H](C)COC 34a_100011934205_100000740836 [0,2,0,0,0,0|2,0,0]=4 12507 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [0,2,0,0,0,0|1,0,0]=3 12508 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [0,2,0,0,0,0|1,0,0]=3 12509 B10R0.1 COCCCSC(C)COC 62a_100000709357_100000765312 [0,2,0,0,0,0|2,0,0]=4 12510 B10R0.1 COCCCSC(C)COC 62a_100000765312_100000709357 [0,2,0,0,0,0|2,0,0]=4 12511 B10R0.1 COCCNCC(O)COC 2230a_100000756049_100011201679 [0,2,0,0,0,0|2,0,0]=4 12512 B10R0.1 COCCNCC(O)COC 34a_100000756049_100011201679 [0,2,0,0,0,0|2,0,0]=4 12513 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|1,0,1]=4 12514 B10R0.1 COCCOCC(C)CCN 34a_106354213184_100011201679 [0,2,0,0,0,0|2,0,0]=4 12515 B10R0.1 COCCOCC(N)COC 34a_100000724102_100011201679 [0,2,0,0,0,0|2,0,0]=4 12516 B10R0.1 COCCOCC(O)COC 34a_100000210237_100011215053 [0,2,0,0,0,0|2,0,0]=4 12517 B10R0.1 COCCOCN(C)CCO 2230a_100000210263_100000231047 [0,2,0,0,0,0|2,0,0]=4 12518 B10R0.1 COCCOCN(C)CCO 269982a_100000210263_100000231047 [0,2,0,0,0,0|2,0,0]=4 12519 B10R0.1 COCCSCC(O)COC 62a_100000233755_100011215053 [0,2,0,0,0,0|2,0,0]=4 12520 B10R0.1 COCCSCC(O)COC 62a_100011215053_100000233755 [0,2,0,0,0,0|2,0,0]=4 12521 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,2,0,0,0,0|1,0,0]=3 12522 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,2,0,0,0,0|1,0,0]=3 12523 B10R0.1 COCN(C)CCOCCO 2230a_100000228057_100000766300 [0,2,0,0,0,0|2,0,0]=4 12524 B10R0.1 COCN(C)CCOCCO 269982a_100000228057_100000766300 [0,2,0,0,0,0|2,0,0]=4 12525 B10R0.1 COC[C@@H](C)NCCCCF 2230a_100000764878_100000729493 [0,2,0,0,0,0|2,0,0]=4 12526 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [0,2,0,0,0,0|1,0,0]=3 12527 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,2,0,0,0,0|2,0,0]=4 12528 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,2,0,0,0,0|1,0,0]=3 12529 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|1,0,1]=4 12530 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|0,0,1]=3 12531 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,2,0,0,0,0|1,0,1]=4 12532 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,2,0,0,0,0|1,0,1]=4 12533 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,2,0,0,0,0|1,0,1]=4 12534 B10R0.1 CSCC(C)NCCCCO 270004a_100000750430_100011216314 [0,2,0,0,0,0|1,0,0]=3 12535 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|1,0,1]=4 12536 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [0,2,0,0,0,0|1,0,0]=3 12537 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,2,0,0,0,0|1,0,0]=3 12538 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,2,0,0,0,0|1,0,0]=3 12539 B10R0.1 CSCCOCC(C)CCN 34a_106354213184_100000212216 [0,2,0,0,0,0|2,0,0]=4 12540 B10R0.1 CSCN(C)CCCCCO 2230a_100000722520_100011218213 [0,2,0,0,0,0|1,0,0]=3 12541 B10R0.1 CSCN(C)CCCCCO 269982a_100000722520_100011218213 [0,2,0,0,0,0|1,0,0]=3 12542 B10R0.1 CSCN(C)CCOCCO 2230a_100000228057_100011218213 [0,2,0,0,0,0|2,0,0]=4 12543 B10R0.1 CSCN(C)CCOCCO 269982a_100000228057_100011218213 [0,2,0,0,0,0|2,0,0]=4 12544 B10R0.1 C[C@@H](CC#N)NCCCCO 2230a_100016994482_100000210776 [0,2,0,0,0,0|1,0,1]=4 12545 B10R0.1 C[C@H](CCO)NCCCC#N 2230a_100000706166_100000687738 [0,2,0,0,0,0|1,0,1]=4 12546 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [0,2,0,0,0,0|1,0,1]=4 12547 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [0,2,0,0,0,0|1,0,0]=3 12548 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|1,0,0]=3 12549 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,2,0,0,0,0|1,0,0]=3 12550 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|1,0,0]=3 12551 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,2,0,0,0,0|0,0,2]=4 12552 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,2,0,0,0,0|0,0,2]=4 12553 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|0,0,2]=4 12554 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100000001066_100011215043 [0,2,0,0,0,0|1,0,1]=4 12555 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100011215043_100000001066 [0,2,0,0,0,0|1,0,1]=4 12556 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|0,0,1]=3 12557 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,2,0,0,0,0|1,0,1]=4 12558 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|0,0,1]=3 12559 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|0,0,1]=3 12560 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|0,0,1]=3 12561 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|1,0,1]=4 12562 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|1,0,1]=4 12563 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|1,0,1]=4 12564 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,2,0,0,0,0|0,0,2]=4 12565 B10R0.2 CC(CCO)N[C@H](C)CCO 2230a_100000706166_100009893172 [0,2,0,0,0,0|2,0,0]=4 12566 B10R0.2 CC(CCO)N[C@H](C)CCO 34a_100000706166_100009893172 [0,2,0,0,0,0|2,0,0]=4 12567 B10R0.2 CC(CCO)OC(C)CCBr 34a_100012276601_100009893172 [0,2,0,0,0,0|2,0,0]=4 12568 B10R0.2 CC(CCO)SC(C)CCO 62a_100009893172_100009893172 [0,2,0,0,0,0|2,0,0]=4 12569 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,2,0,0,0,0|0,0,2]=4 12570 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|1,0,1]=4 12571 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|1,0,1]=4 12572 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,2,0,0,0,0|1,0,1]=4 12573 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,2,0,0,0,0|1,0,1]=4 12574 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,2,0,0,0,0|1,0,1]=4 12575 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,2,0,0,0,0|1,0,1]=4 12576 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|1,0,1]=4 12577 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|0,0,1]=3 12578 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|0,0,1]=3 12579 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [0,2,0,0,0,0|2,0,0]=4 12580 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [0,2,0,0,0,0|2,0,0]=4 12581 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [0,2,0,0,0,0|2,0,0]=4 12582 B10R0.2 CCCC(C)CN(C)CCO 2230a_100000210263_100011216630 [0,2,0,0,0,0|1,0,0]=3 12583 B10R0.2 CCCC(C)CN(C)CCO 269982a_100000210263_100011216630 [0,2,0,0,0,0|1,0,0]=3 12584 B10R0.2 CCCC(C)CN(C)CCO 270004a_100000210263_100000243154 [0,2,0,0,0,0|1,0,0]=3 12585 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,2,0,0,0,0|1,0,1]=4 12586 B10R0.2 CCCC(C)NC(C)CCC 2230a_100000741246_100000766640 [0,2,0,0,0,0|2,0,0]=4 12587 B10R0.2 CCCC(C)NC(C)CCC 270004a_100000741246_100000211909 [0,2,0,0,0,0|2,0,0]=4 12588 B10R0.2 CCCC(C)NC(C)CCO 2230a_100000741246_100009893172 [0,2,0,0,0,0|1,0,0]=3 12589 B10R0.2 CCCC(C)N[C@H](C)CCO 2230a_100000706166_100000766640 [0,2,0,0,0,0|1,0,0]=3 12590 B10R0.2 CCCC(C)N[C@H](C)CCO 270004a_100000706166_100000211909 [0,2,0,0,0,0|1,0,0]=3 12591 B10R0.2 CCCC(C)N[C@H](C)CCO 34a_100000706166_100000766640 [0,2,0,0,0,0|1,0,0]=3 12592 B10R0.2 CCCC(C)OC(C)CCBr 34a_100012276601_100000766640 [0,2,0,0,0,0|2,0,0]=4 12593 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [0,2,0,0,0,0|2,0,0]=4 12594 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [0,2,0,0,0,0|2,0,0]=4 12595 B10R0.2 CCCC(C)OC(C)CCO 34a_100000764384_100009893172 [0,2,0,0,0,0|1,0,0]=3 12596 B10R0.2 CCCC(C)OC(C)CCO 7a_100000764384_100009893172 [0,2,0,0,0,0|1,0,0]=3 12597 B10R0.2 CCCC(C)SC(C)CCC 62a_100000766640_100000766640 [0,2,0,0,0,0|2,0,0]=4 12598 B10R0.2 CCCC(C)SC(C)CCO 62a_100000766640_100009893172 [0,2,0,0,0,0|1,0,0]=3 12599 B10R0.2 CCCC(C)SC(C)CCO 62a_100009893172_100000766640 [0,2,0,0,0,0|1,0,0]=3 12600 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,2,0,0,0,0|1,0,1]=4 12601 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,2,0,0,0,0|1,0,1]=4 12602 B10R0.2 COCC(C)N[C@H](C)CCO 2230a_100000706166_100000765312 [0,2,0,0,0,0|2,0,0]=4 12603 B10R0.2 COCC(C)N[C@H](C)CCO 270004a_100000706166_100000749346 [0,2,0,0,0,0|2,0,0]=4 12604 B10R0.2 COCC(C)N[C@H](C)CCO 34a_100000706166_100000765312 [0,2,0,0,0,0|2,0,0]=4 12605 B10R0.2 COCC(C)SC(C)CCO 62a_100000765312_100009893172 [0,2,0,0,0,0|2,0,0]=4 12606 B10R0.2 COCC(C)SC(C)CCO 62a_100009893172_100000765312 [0,2,0,0,0,0|2,0,0]=4 12607 B10R0.2 COCC(O)CN(C)CCO 2230a_100000739405_100000211926 [0,2,0,0,0,0|2,0,0]=4 12608 B10R0.2 COCC(O)CN(C)CCO 269982a_100000739405_100000211926 [0,2,0,0,0,0|2,0,0]=4 12609 B10R0.2 COC[C@@H](C)NC(C)CCO 2230a_100000764878_100009893172 [0,2,0,0,0,0|2,0,0]=4 12610 B10R0.2 COC[C@@H](C)OC(C)CCO 34a_100011934205_100009893172 [0,2,0,0,0,0|2,0,0]=4 12611 B10R0.2 CSCC(C)N[C@H](C)CCO 270004a_100000706166_100011216314 [0,2,0,0,0,0|2,0,0]=4 12612 B10R0.19 CC(CCO)N(C)CCCF 2230a_100000731037_100011934791 [0,2,0,0,0,0|2,0,0]=4 12613 B10R0.19 CC(CCO)N(C)CCCF 269982a_100000731037_100011934791 [0,2,0,0,0,0|2,0,0]=4 12614 B10R0.19 CC(CCO)N(C)CCCO 2230a_100000213112_100009893172 [0,2,0,0,0,0|2,0,0]=4 12615 B10R0.19 CC(CCO)N(C)CCCO 2230a_100000731037_100000230001 [0,2,0,0,0,0|2,0,0]=4 12616 B10R0.19 CC(CCO)N(C)CCCO 269982a_100000213112_100009893172 [0,2,0,0,0,0|2,0,0]=4 12617 B10R0.19 CC(CCO)N(C)CCCO 269982a_100000731037_100011215043 [0,2,0,0,0,0|2,0,0]=4 12618 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,2,0,0,0,0|1,0,1]=4 12619 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,2,0,0,0,0|1,0,1]=4 12620 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,2,0,0,0,0|1,0,1]=4 12621 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,2,0,0,0,0|0,0,1]=3 12622 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,2,0,0,0,0|1,0,1]=4 12623 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,2,0,0,0,0|1,0,1]=4 12624 B10R0.19 CCCC(C)C(C)NCCO 270004a_100000210304_100011216282 [0,2,0,0,0,0|1,0,0]=3 12625 B10R0.19 CCCC(C)C(C)OCCF 34a_100000708338_100011217306 [0,2,0,0,0,0|2,0,0]=4 12626 B10R0.19 CCCC(C)C(C)OCCF 7a_100000708338_100011217306 [0,2,0,0,0,0|2,0,0]=4 12627 B10R0.19 CCCC(C)C(C)OCCO 34a_100000708338_100000211926 [0,2,0,0,0,0|1,0,0]=3 12628 B10R0.19 CCCC(C)C(C)OCCO 7a_100000708338_100000211926 [0,2,0,0,0,0|1,0,0]=3 12629 B10R0.19 CCCC(C)N(C)CCCO 2230a_100000213112_100000766640 [0,2,0,0,0,0|1,0,0]=3 12630 B10R0.19 CCCC(C)N(C)CCCO 269982a_100000213112_100000766640 [0,2,0,0,0,0|1,0,0]=3 12631 B10R0.19 CCCC(C)N(C)CCCO 270004a_100000213112_100000211909 [0,2,0,0,0,0|1,0,0]=3 12632 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|1,0,1]=4 12633 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|1,0,1]=4 12634 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|0,0,1]=3 12635 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,2,0,0,0,0|1,0,1]=4 12636 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,2,0,0,0,0|1,0,1]=4 12637 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|1,0,1]=4 12638 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|1,0,1]=4 12639 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|1,0,1]=4 12640 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|1,0,1]=4 12641 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|0,0,1]=3 12642 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|0,0,1]=3 12643 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [0,2,0,0,0,0|2,0,0]=4 12644 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [0,2,0,0,0,0|2,0,0]=4 12645 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [0,2,0,0,0,0|2,0,0]=4 12646 B10R0.19 CCCCC(C)N(C)CCO 2230a_100000210263_200011215066 [0,2,0,0,0,0|1,0,0]=3 12647 B10R0.19 CCCCC(C)N(C)CCO 269982a_100000210263_200011215066 [0,2,0,0,0,0|1,0,0]=3 12648 B10R0.19 CCCCC(C)N(C)CCO 270004a_100000210263_100000210087 [0,2,0,0,0,0|1,0,0]=3 12649 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|1,0,1]=4 12650 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|1,0,1]=4 12651 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|0,0,1]=3 12652 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|1,0,1]=4 12653 B10R0.19 CCCCN(C)C(C)CCC 2230a_100000207549_100000766640 [0,2,0,0,0,0|2,0,0]=4 12654 B10R0.19 CCCCN(C)C(C)CCC 269982a_100000207549_100000766640 [0,2,0,0,0,0|2,0,0]=4 12655 B10R0.19 CCCCN(C)C(C)CCC 270004a_100000207549_100000211909 [0,2,0,0,0,0|2,0,0]=4 12656 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000207549_100009893172 [0,2,0,0,0,0|1,0,0]=3 12657 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000731037_100000210211 [0,2,0,0,0,0|1,0,0]=3 12658 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000207549_100009893172 [0,2,0,0,0,0|1,0,0]=3 12659 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000731037_100000210211 [0,2,0,0,0,0|1,0,0]=3 12660 B10R0.19 CCCNC(C)C(C)CCC 270004a_100020643023_100011216282 [0,2,0,0,0,0|2,0,0]=4 12661 B10R0.19 CCCOC(C)C(C)CCC 34a_100000708338_100000210303 [0,2,0,0,0,0|2,0,0]=4 12662 B10R0.19 CCCOC(C)C(C)CCC 7a_100000708338_100000210303 [0,2,0,0,0,0|2,0,0]=4 12663 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|1,0,1]=4 12664 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|0,0,1]=3 12665 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,2,0,0,0,0|1,0,1]=4 12666 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,2,0,0,0,0|1,0,1]=4 12667 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,2,0,0,0,0|1,0,1]=4 12668 B10R0.19 CCOCN(C)C(C)CCO 269982a_100000731037_100000739092 [0,2,0,0,0,0|2,0,0]=4 12669 B10R0.19 CCSC(C)C(=O)CCCO 1458a_100000230601_100011215043 [0,2,0,0,0,0|1,0,1]=4 12670 B10R0.19 CCSCC(=O)C(C)CCO 1458a_100000230394_100009893172 [0,2,0,0,0,0|1,0,1]=4 12671 B10R0.19 CCSCC(C)N(C)CCO 270004a_100000210263_200011216171 [0,2,0,0,0,0|2,0,0]=4 12672 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,2,0,0,0,0|1,0,1]=4 12673 B10R0.19 COCC(C)N(C)CCCO 2230a_100000213112_100000765312 [0,2,0,0,0,0|2,0,0]=4 12674 B10R0.19 COCC(C)N(C)CCCO 269982a_100000213112_100000765312 [0,2,0,0,0,0|2,0,0]=4 12675 B10R0.19 COCC(C)N(C)CCCO 270004a_100000213112_100000749346 [0,2,0,0,0,0|2,0,0]=4 12676 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [0,2,0,0,0,0|1,0,1]=4 12677 B10R0.19 COCCC(C)N(C)CCO 270004a_100000210263_100000742357 [0,2,0,0,0,0|2,0,0]=4 12678 B10R0.19 COCCN(C)C(C)CCO 2230a_100000731037_100011201679 [0,2,0,0,0,0|2,0,0]=4 12679 B10R0.19 COCCN(C)C(C)CCO 2230a_100000743101_100009893172 [0,2,0,0,0,0|2,0,0]=4 12680 B10R0.19 COCCN(C)C(C)CCO 269982a_100000731037_100000233755 [0,2,0,0,0,0|2,0,0]=4 12681 B10R0.19 COCCN(C)C(C)CCO 269982a_100000743101_100009893172 [0,2,0,0,0,0|2,0,0]=4 12682 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,2,0,0,0,0|1,0,1]=4 12683 B10R0.19 CSCC(C)N(C)CCCO 270004a_100000213112_100011216314 [0,2,0,0,0,0|2,0,0]=4 12684 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,2,0,0,0,0|1,0,1]=4 12685 B10R0.19 CSCCC(C)N(C)CCO 270004a_100000210263_100011217047 [0,2,0,0,0,0|2,0,0]=4 12686 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|1,0,1]=4 12687 B10R0.19 CSCCN(C)C(C)CCO 2230a_100000686725_100009893172 [0,2,0,0,0,0|2,0,0]=4 12688 B10R0.19 CSCCN(C)C(C)CCO 2230a_100000731037_100000751147 [0,2,0,0,0,0|2,0,0]=4 12689 B10R0.19 CSCCN(C)C(C)CCO 269982a_100000686725_100009893172 [0,2,0,0,0,0|2,0,0]=4 12690 B10R0.19 CSCCN(C)C(C)CCO 269982a_100000731037_100000212216 [0,2,0,0,0,0|2,0,0]=4 12691 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [0,2,0,0,0,0|2,0,0]=4 12692 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [0,2,0,0,0,0|2,0,0]=4 12693 B10R0.24 C#CC(CCC)OCCCF 34a_200011217317_100011934791 [0,2,0,0,0,0|2,0,0]=4 12694 B10R0.24 C#CC(CCC)OCCCF 7a_200011217317_100011934791 [0,2,0,0,0,0|2,0,0]=4 12695 B10R0.24 C#CC(CCC)OCCCO 34a_200011217317_100000230001 [0,2,0,0,0,0|1,0,0]=3 12696 B10R0.24 C#CC(CCC)OCCCO 7a_200011217317_100011215043 [0,2,0,0,0,0|1,0,0]=3 12697 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [0,2,0,0,0,0|2,0,0]=4 12698 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [0,2,0,0,0,0|2,0,0]=4 12699 B10R0.24 C#CC(CCCCC)OCF 34a_100011216489_100015361967 [0,2,0,0,0,0|2,0,0]=4 12700 B10R0.24 C#CC(CCCCC)OCF 7a_100011216489_100015361967 [0,2,0,0,0,0|2,0,0]=4 12701 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [0,2,0,0,0,0|2,0,0]=4 12702 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [0,2,0,0,0,0|2,0,0]=4 12703 B10R0.24 C=CC(CCC)OCCCF 34a_100011216692_100011934791 [0,2,0,0,0,0|2,0,0]=4 12704 B10R0.24 C=CC(CCC)OCCCF 7a_100011216692_100011934791 [0,2,0,0,0,0|2,0,0]=4 12705 B10R0.24 C=CC(CCC)OCCCO 34a_100011216692_100000230001 [0,2,0,0,0,0|1,0,0]=3 12706 B10R0.24 C=CC(CCC)OCCCO 7a_100011216692_100011215043 [0,2,0,0,0,0|1,0,0]=3 12707 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,2,0,0,0,0|2,0,0]=4 12708 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,2,0,0,0,0|2,0,0]=4 12709 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [0,2,0,0,0,0|2,0,0]=4 12710 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [0,2,0,0,0,0|2,0,0]=4 12711 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,2,0,0,0,0|1,0,1]=4 12712 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,2,0,0,0,0|1,0,1]=4 12713 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,2,0,0,0,0|1,0,1]=4 12714 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,2,0,0,0,0|1,0,1]=4 12715 B10R0.24 CCC(COC)NCCCO 2230a_100000757820_100000230001 [0,2,0,0,0,0|2,0,0]=4 12716 B10R0.24 CCC(COC)NCCCO 270004a_100000182051_100000757811 [0,2,0,0,0,0|2,0,0]=4 12717 B10R0.24 CCC(COC)OCCCO 7a_200011214946_100011215043 [0,2,0,0,0,0|2,0,0]=4 12718 B10R0.24 CCCC(C#N)OCCCF 34a_100000686963_100011934791 [0,2,0,0,0,0|2,0,0]=4 12719 B10R0.24 CCCC(C#N)OCCCF 7a_100000686963_100011934791 [0,2,0,0,0,0|2,0,0]=4 12720 B10R0.24 CCCC(C#N)OCCCO 34a_100000686963_100000230001 [0,2,0,0,0,0|1,0,0]=3 12721 B10R0.24 CCCC(C#N)OCCCO 7a_100000686963_100011215043 [0,2,0,0,0,0|1,0,0]=3 12722 B10R0.24 CCCC(CC)NCCCF 2230a_100000747048_100011934791 [0,2,0,0,0,0|2,0,0]=4 12723 B10R0.24 CCCC(CC)NCCCF 270004a_100015189416_100000687865 [0,2,0,0,0,0|2,0,0]=4 12724 B10R0.24 CCCC(CC)NCCCO 2230a_100000747048_100000230001 [0,2,0,0,0,0|1,0,0]=3 12725 B10R0.24 CCCC(CC)NCCCO 270004a_100000182051_100000687865 [0,2,0,0,0,0|1,0,0]=3 12726 B10R0.24 CCCC(CC)OCCCF 34a_100000687864_100011934791 [0,2,0,0,0,0|2,0,0]=4 12727 B10R0.24 CCCC(CC)OCCCF 7a_100000687864_100011934791 [0,2,0,0,0,0|2,0,0]=4 12728 B10R0.24 CCCC(CC)OCCCO 34a_100000687864_100000230001 [0,2,0,0,0,0|1,0,0]=3 12729 B10R0.24 CCCC(CC)OCCCO 7a_100000687864_100011215043 [0,2,0,0,0,0|1,0,0]=3 12730 B10R0.24 CCCC(CC)SCCCF 62a_100011219200_100011934791 [0,2,0,0,0,0|2,0,0]=4 12731 B10R0.24 CCCC(CC)SCCCF 62a_100011934791_100011219200 [0,2,0,0,0,0|2,0,0]=4 12732 B10R0.24 CCCC(CC)SCCCO 62a_100011215043_100011219200 [0,2,0,0,0,0|1,0,0]=3 12733 B10R0.24 CCCC(CC)SCCCO 62a_100011219200_100011215043 [0,2,0,0,0,0|1,0,0]=3 12734 B10R0.24 CCCC(CCOCC)SC 34a_100000032865_100000210202 [0,2,0,0,0,0|2,0,0]=4 12735 B10R0.24 CCCC(CCOCC)SC 7a_100000032865_100000210202 [0,2,0,0,0,0|2,0,0]=4 12736 B10R0.24 CCCC(CCOCF)SC 34a_100000032865_100015361967 [0,2,0,0,0,0|2,0,0]=4 12737 B10R0.24 CCCC(CCOCF)SC 7a_100000032865_100015361967 [0,2,0,0,0,0|2,0,0]=4 12738 B10R0.24 CCCCCC(CC)NCC 270004a_100015525214_100011215316 [0,2,0,0,0,0|2,0,0]=4 12739 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,2,0,0,0,0|2,0,0]=4 12740 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,2,0,0,0,0|2,0,0]=4 12741 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,2,0,0,0,0|2,0,0]=4 12742 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,2,0,0,0,0|2,0,0]=4 12743 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [0,2,0,0,0,0|1,0,0]=3 12744 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,2,0,0,0,0|1,0,0]=3 12745 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,2,0,0,0,0|1,0,0]=3 12746 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,2,0,0,0,0|1,0,0]=3 12747 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,2,0,0,0,0|1,0,0]=3 12748 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [0,2,0,0,0,0|2,0,0]=4 12749 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [0,2,0,0,0,0|2,0,0]=4 12750 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [0,2,0,0,0,0|2,0,0]=4 12751 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [0,2,0,0,0,0|2,0,0]=4 12752 B10R0.24 CCCCCN(CC)CCO 2230a_100000210973_100000210326 [0,2,0,0,0,0|1,0,0]=3 12753 B10R0.24 CCCCCN(CC)CCO 2230a_100000224656_100000210202 [0,2,0,0,0,0|1,0,0]=3 12754 B10R0.24 CCCCCN(CC)CCO 269982a_100000210973_100000210215 [0,2,0,0,0,0|1,0,0]=3 12755 B10R0.24 CCCCCN(CC)CCO 269982a_100000224656_100000204670 [0,2,0,0,0,0|1,0,0]=3 12756 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [0,2,0,0,0,0|2,0,0]=4 12757 B10R0.24 CCCCCN(CF)CCO 269982a_100000224656_100015361967 [0,2,0,0,0,0|1,0,0]=3 12758 B10R0.24 CCCCNC(CC)CCC 2230a_100000747048_100000210211 [0,2,0,0,0,0|2,0,0]=4 12759 B10R0.24 CCCCNC(CC)CCC 270004a_100000102301_100000687865 [0,2,0,0,0,0|2,0,0]=4 12760 B10R0.24 CCCCNC(CC)CCC 7a_106832991798_100011219200 [0,2,0,0,0,0|2,0,0]=4 12761 B10R0.24 CCCCN[C@H](CO)CCC 2230a_100000732646_100000210211 [0,2,0,0,0,0|2,0,0]=4 12762 B10R0.24 CCCCN[C@H](CO)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|2,0,0]=4 12763 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [0,2,0,0,0,0|2,0,0]=4 12764 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [0,2,0,0,0,0|2,0,0]=4 12765 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [0,2,0,0,0,0|2,0,0]=4 12766 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [0,2,0,0,0,0|2,0,0]=4 12767 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [0,2,0,0,0,0|2,0,0]=4 12768 B10R0.24 CCCCSC(CC)CCC 62a_100000210211_100011219200 [0,2,0,0,0,0|2,0,0]=4 12769 B10R0.24 CCCCSC(CC)CCC 62a_100011219200_100000210210 [0,2,0,0,0,0|2,0,0]=4 12770 B10R0.24 CCCN(CC)CCCCF 2230a_100000226822_100000729493 [0,2,0,0,0,0|2,0,0]=4 12771 B10R0.24 CCCN(CC)CCCCF 269982a_100000226822_100000729493 [0,2,0,0,0,0|2,0,0]=4 12772 B10R0.24 CCCN(CC)CCCCO 2230a_100000226822_100000210776 [0,2,0,0,0,0|1,0,0]=3 12773 B10R0.24 CCCN(CC)CCCCO 2230a_100011217355_100000210303 [0,2,0,0,0,0|1,0,0]=3 12774 B10R0.24 CCCN(CC)CCCCO 269982a_100000226822_100000210776 [0,2,0,0,0,0|1,0,0]=3 12775 B10R0.24 CCCN(CC)CCCCO 269982a_100011217355_100000210303 [0,2,0,0,0,0|1,0,0]=3 12776 B10R0.24 CCC[C@@H](CO)NCCCF 2230a_100000732646_100011934791 [0,2,0,0,0,0|2,0,0]=4 12777 B10R0.24 CCC[C@@H](CO)NCCCF 34a_100000732646_100011934791 [0,2,0,0,0,0|2,0,0]=4 12778 B10R0.24 CCC[C@@H](CO)NCCCO 2230a_100000732646_100000230001 [0,2,0,0,0,0|1,0,0]=3 12779 B10R0.24 CCC[C@@H](CO)NCCCO 34a_100000732646_100000230001 [0,2,0,0,0,0|1,0,0]=3 12780 B10R0.24 CCN(CCCCO)COC 2230a_100011217355_100000766300 [0,2,0,0,0,0|2,0,0]=4 12781 B10R0.24 CCN(CCCCO)COC 269982a_100011217355_100000766300 [0,2,0,0,0,0|2,0,0]=4 12782 B10R0.24 CCN(CCCCO)CSC 2230a_100011217355_100011218213 [0,2,0,0,0,0|2,0,0]=4 12783 B10R0.24 CCN(CCCCO)CSC 269982a_100011217355_100011218213 [0,2,0,0,0,0|2,0,0]=4 12784 B10R0.24 CCN(CCF)CCCCO 2230a_100011217355_100011217306 [0,2,0,0,0,0|2,0,0]=4 12785 B10R0.24 CCN(CCF)CCCCO 269982a_100011217355_100011217306 [0,2,0,0,0,0|2,0,0]=4 12786 B10R0.24 CCN(CCO)CCCCF 2230a_100000210973_100000729493 [0,2,0,0,0,0|2,0,0]=4 12787 B10R0.24 CCN(CCO)CCCCF 269982a_100000210973_100000729493 [0,2,0,0,0,0|2,0,0]=4 12788 B10R0.24 CCN(CCO)CCCCO 2230a_100000210973_100000210776 [0,2,0,0,0,0|2,0,0]=4 12789 B10R0.24 CCN(CCO)CCCCO 2230a_100011217355_100000211926 [0,2,0,0,0,0|2,0,0]=4 12790 B10R0.24 CCN(CCO)CCCCO 269982a_100000210973_100000210776 [0,2,0,0,0,0|2,0,0]=4 12791 B10R0.24 CCN(CCO)CCCCO 269982a_100011217355_100000211926 [0,2,0,0,0,0|2,0,0]=4 12792 B10R0.24 CCN(CCO)CCCOC 2230a_100000210973_100000740836 [0,2,0,0,0,0|2,0,0]=4 12793 B10R0.24 CCN(CCO)CCCOC 269982a_100000210973_100000740836 [0,2,0,0,0,0|2,0,0]=4 12794 B10R0.24 CCOC(CC)CNCCO 2230a_100015183923_100000211926 [0,2,0,0,0,0|2,0,0]=4 12795 B10R0.24 CCOC(CC)CNCCO 34a_100015183923_100000211926 [0,2,0,0,0,0|2,0,0]=4 12796 B10R0.24 CCOCCN(CC)CCO 2230a_100000210973_100011215890 [0,2,0,0,0,0|2,0,0]=4 12797 B10R0.24 CCOCCN(CC)CCO 269982a_100000210973_100011215890 [0,2,0,0,0,0|2,0,0]=4 12798 B10R0.24 CCSCCN(CC)CCO 2230a_100000210973_100000757381 [0,2,0,0,0,0|2,0,0]=4 12799 B10R0.24 CCSCCN(CC)CCO 269982a_100000210973_100000757381 [0,2,0,0,0,0|2,0,0]=4 12800 B10R0.24 COCC(CCl)OCCCO 34a_100011215053_100000230001 [0,2,0,0,0,0|2,0,0]=4 12801 B10R0.24 COCC(CN)OCCCO 34a_100000756049_100000230001 [0,2,0,0,0,0|2,0,0]=4 12802 B10R0.24 COCC(CO)NCCCO 2230a_100000724102_100000230001 [0,2,0,0,0,0|2,0,0]=4 12803 B10R0.24 COCC(CO)NCCCO 34a_100000724102_100000230001 [0,2,0,0,0,0|2,0,0]=4 12804 B10R0.83 CC(CO)N(C)CCCCF 2230a_100000693034_100000729493 [0,2,0,0,0,0|2,0,0]=4 12805 B10R0.83 CC(CO)N(C)CCCCF 269982a_100000693034_100000729493 [0,2,0,0,0,0|2,0,0]=4 12806 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000693034_100000210776 [0,2,0,0,0,0|2,0,0]=4 12807 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000717598_100012180447 [0,2,0,0,0,0|2,0,0]=4 12808 B10R0.83 CC(CO)N(C)CCCCO 269982a_100000693034_100000210776 [0,2,0,0,0,0|2,0,0]=4 12809 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,2,0,0,0,0|1,0,1]=4 12810 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,2,0,0,0,0|1,0,1]=4 12811 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,2,0,0,0,0|1,0,1]=4 12812 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|1,0,1]=4 12813 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|0,0,1]=3 12814 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|0,0,1]=3 12815 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [0,2,0,0,0,0|1,0,1]=4 12816 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,2,0,0,0,0|1,0,1]=4 12817 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,2,0,0,0,0|1,0,1]=4 12818 B10R0.83 CCC(C)C(C)NCCCF 269862a_100015189416_100000210599 [0,2,0,0,0,0|2,0,0]=4 12819 B10R0.83 CCC(C)C(C)NCCCF 270004a_100015189416_100000210599 [0,2,0,0,0,0|2,0,0]=4 12820 B10R0.83 CCC(C)C(C)NCCCO 269862a_100000182051_100000210599 [0,2,0,0,0,0|1,0,0]=3 12821 B10R0.83 CCC(C)C(C)NCCCO 270004a_100000182051_100000210599 [0,2,0,0,0,0|1,0,0]=3 12822 B10R0.83 CCC(C)C(C)OCCCF 7a_100011215189_100011934791 [0,2,0,0,0,0|2,0,0]=4 12823 B10R0.83 CCC(C)C(C)OCCCO 7a_100011215189_100011215043 [0,2,0,0,0,0|1,0,0]=3 12824 B10R0.83 CCC(C)N(C)CCCCF 2230a_100000741768_100000729493 [0,2,0,0,0,0|2,0,0]=4 12825 B10R0.83 CCC(C)N(C)CCCCF 269982a_100000741768_100000729493 [0,2,0,0,0,0|2,0,0]=4 12826 B10R0.83 CCC(C)N(C)CCCCO 2230a_100000717598_100000758301 [0,2,0,0,0,0|1,0,0]=3 12827 B10R0.83 CCC(C)N(C)CCCCO 2230a_100000741768_100000210776 [0,2,0,0,0,0|1,0,0]=3 12828 B10R0.83 CCC(C)N(C)CCCCO 269982a_100000717598_100000758301 [0,2,0,0,0,0|1,0,0]=3 12829 B10R0.83 CCC(C)N(C)CCCCO 269982a_100000741768_100000210776 [0,2,0,0,0,0|1,0,0]=3 12830 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|1,0,1]=4 12831 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|0,0,1]=3 12832 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,2,0,0,0,0|1,0,1]=4 12833 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,1]=4 12834 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,1]=4 12835 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|1,0,1]=4 12836 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|0,0,1]=3 12837 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,1]=4 12838 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,1]=4 12839 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,1]=4 12840 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|0,0,1]=3 12841 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,2,0,0,0,0|2,0,0]=4 12842 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,2,0,0,0,0|2,0,0]=4 12843 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,1]=4 12844 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,1]=4 12845 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,2,0,0,0,0|2,0,0]=4 12846 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,2,0,0,0,0|2,0,0]=4 12847 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,2,0,0,0,0|2,0,0]=4 12848 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,2,0,0,0,0|2,0,0]=4 12849 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,2,0,0,0,0|1,0,0]=3 12850 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,2,0,0,0,0|1,0,0]=3 12851 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,2,0,0,0,0|1,0,0]=3 12852 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,2,0,0,0,0|1,0,0]=3 12853 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|1,0,1]=4 12854 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [0,2,0,0,0,0|2,0,0]=4 12855 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [0,2,0,0,0,0|2,0,0]=4 12856 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|2,0,0]=4 12857 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|1,0,1]=4 12858 B10R0.83 CCN(C)C(C)COCCO 7a_100000732741_100000211926 [0,2,0,0,0,0|2,0,0]=4 12859 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|1,0,1]=4 12860 B10R0.83 CCOCCN(C)C(C)CO 2230a_100000693034_100011215890 [0,2,0,0,0,0|2,0,0]=4 12861 B10R0.83 CCOCCN(C)C(C)CO 269982a_100000693034_100011215890 [0,2,0,0,0,0|2,0,0]=4 12862 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|1,0,1]=4 12863 B10R0.83 CCSCCN(C)C(C)CO 2230a_100000693034_100000757381 [0,2,0,0,0,0|2,0,0]=4 12864 B10R0.83 CCSCCN(C)C(C)CO 269982a_100000693034_100000757381 [0,2,0,0,0,0|2,0,0]=4 12865 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|1,0,1]=4 12866 B10R0.83 COC(C)N(C)CCCCO 269982a_100000717598_100009879195 [0,2,0,0,0,0|2,0,0]=4 12867 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,0,1]=4 12868 B10R0.83 COCCCN(C)C(C)CO 2230a_100000224831_100012180447 [0,2,0,0,0,0|2,0,0]=4 12869 B10R0.83 COCCCN(C)C(C)CO 2230a_100000693034_100000740836 [0,2,0,0,0,0|2,0,0]=4 12870 B10R0.83 COCCCN(C)C(C)CO 269982a_100000693034_100000740836 [0,2,0,0,0,0|2,0,0]=4 12871 B10R0.83 COCCCN(C)[C@H](C)CO 269982a_100000224831_100016084084 [0,2,0,0,0,0|2,0,0]=4 12872 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|1,0,1]=4 12873 B10R0.83 C[C@H](CO)N(C)CCCCO 269982a_100000717598_100016084084 [0,2,0,0,0,0|2,0,0]=4 12874 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|1,0,1]=4 12875 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|1,0,1]=4 12876 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|1,0,1]=4 12877 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|1,0,1]=4 12878 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [0,2,0,0,0,0|0,0,2]=4 12879 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [0,2,0,0,0,0|0,0,2]=4 12880 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,2,0,0,0,0|1,0,1]=4 12881 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,2,0,0,0,0|1,0,1]=4 12882 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,2,0,0,0,0|0,0,2]=4 12883 B10R0.91 C#CCCCN(C)CCCC 2230a_100000207549_100000731252 [0,2,0,0,0,0|1,0,1]=4 12884 B10R0.91 C#CCCCN(C)CCCC 269982a_100000207549_100011215417 [0,2,0,0,0,0|1,0,1]=4 12885 B10R0.91 C#CCCCN(C)CCCO 2230a_100000213112_100000731252 [0,2,0,0,0,0|0,0,2]=4 12886 B10R0.91 C#CCCCN(C)CCCO 269982a_100000213112_100011215417 [0,2,0,0,0,0|0,0,2]=4 12887 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [0,2,0,0,0,0|1,0,1]=4 12888 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [0,2,0,0,0,0|1,0,1]=4 12889 B10R0.91 C#CCCN(C)CCCCO 2230a_100000717598_100000688953 [0,2,0,0,0,0|0,0,2]=4 12890 B10R0.91 C#CCCN(C)CCCCO 269982a_100000717598_100000730999 [0,2,0,0,0,0|0,0,2]=4 12891 B10R0.91 C#CCCNC(C)CCCC 2230a_100000126638_100000688953 [0,2,0,0,0,0|1,0,1]=4 12892 B10R0.91 C#CCCNC(C)CCCC 34a_100000755551_200011215066 [0,2,0,0,0,0|1,0,1]=4 12893 B10R0.91 C#CCCOC(C)CCCC 34a_100000687866_100000688953 [0,2,0,0,0,0|1,0,1]=4 12894 B10R0.91 C#CCCOC(C)CCCC 34a_100011215631_200011215066 [0,2,0,0,0,0|1,0,1]=4 12895 B10R0.91 C#CCCOC(C)CCCC 7a_100000687866_100000688953 [0,2,0,0,0,0|1,0,1]=4 12896 B10R0.91 C#CCCSC(C)CCCC 62a_100000688953_200011215066 [0,2,0,0,0,0|1,0,1]=4 12897 B10R0.91 C#CCCSC(C)CCCC 62a_200011215066_100000688953 [0,2,0,0,0,0|1,0,1]=4 12898 B10R0.91 C#CCNC(C)CCCCC 2230a_100000211957_100000038162 [0,2,0,0,0,0|1,0,1]=4 12899 B10R0.91 C#CCNC(C)CCCCC 34a_100000212058_200011218191 [0,2,0,0,0,0|1,0,1]=4 12900 B10R0.91 C#CCNC[C@H](C)CCCO 2230a_100160569302_100000038162 [0,2,0,0,0,0|0,0,2]=4 12901 B10R0.91 C#CCNC[C@H](C)CCCO 34a_100160569302_100000184674 [0,2,0,0,0,0|0,0,2]=4 12902 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,2,0,0,0,0|1,0,1]=4 12903 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,2,0,0,0,0|1,0,1]=4 12904 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,2,0,0,0,0|1,0,1]=4 12905 B10R0.91 C#CCOCC(C)CCCC 34a_100011995851_100000184674 [0,2,0,0,0,0|1,0,1]=4 12906 B10R0.91 C#CCOCC(C)CCCC 7a_100011995851_100000038162 [0,2,0,0,0,0|1,0,1]=4 12907 B10R0.91 C#CCOC[C@@H](N)CCCC 34a_100011934283_100000184674 [0,2,0,0,0,0|1,0,1]=4 12908 B10R0.91 C#CCSC(C)CCCCC 62a_100000038162_200011218191 [0,2,0,0,0,0|1,0,1]=4 12909 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,2,0,0,0,0|0,0,2]=4 12910 B10R0.91 C/C=C/CN(C)CCCCO 269982a_100000717598_100102629194 [0,2,0,0,0,0|0,0,2]=4 12911 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|1,0,1]=4 12912 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|1,0,1]=4 12913 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|0,0,2]=4 12914 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|0,0,2]=4 12915 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,2,0,0,0,0|1,0,1]=4 12916 B10R0.91 C=CCCC(C)NCCCO 270004a_100000182051_100000762624 [0,2,0,0,0,0|0,0,2]=4 12917 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,2,0,0,0,0|1,0,1]=4 12918 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,2,0,0,0,0|1,0,1]=4 12919 B10R0.91 C=CCCC(C)OCCCO 34a_100000765329_100000230001 [0,2,0,0,0,0|0,0,2]=4 12920 B10R0.91 C=CCCC(C)OCCCO 7a_100000765329_100011215043 [0,2,0,0,0,0|0,0,2]=4 12921 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,2,0,0,0,0|1,0,1]=4 12922 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,2,0,0,0,0|1,0,1]=4 12923 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,2,0,0,0,0|0,0,2]=4 12924 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,2,0,0,0,0|1,0,1]=4 12925 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,2,0,0,0,0|1,0,1]=4 12926 B10R0.91 C=CCCCN(C)CCCO 2230a_100000213112_100011713584 [0,2,0,0,0,0|0,0,2]=4 12927 B10R0.91 C=CCCCN(C)CCCO 269982a_100000213112_100000757094 [0,2,0,0,0,0|0,0,2]=4 12928 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,2,0,0,0,0|1,0,1]=4 12929 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,2,0,0,0,0|1,0,1]=4 12930 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,2,0,0,0,0|1,0,1]=4 12931 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,2,0,0,0,0|1,0,1]=4 12932 B10R0.91 C=CCCN(C)CCCCO 2230a_100000717598_100000754431 [0,2,0,0,0,0|0,0,2]=4 12933 B10R0.91 C=CCCN(C)CCCCO 2230a_100020639649_100000210776 [0,2,0,0,0,0|0,0,2]=4 12934 B10R0.91 C=CCCN(C)CCCCO 269982a_100000717598_100000754431 [0,2,0,0,0,0|0,0,2]=4 12935 B10R0.91 C=CCCN(C)CCCCO 269982a_100020639649_100000210776 [0,2,0,0,0,0|0,0,2]=4 12936 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,2,0,0,0,0|1,0,1]=4 12937 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,2,0,0,0,0|1,0,1]=4 12938 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,2,0,0,0,0|1,0,1]=4 12939 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,2,0,0,0,0|1,0,1]=4 12940 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,2,0,0,0,0|1,0,1]=4 12941 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,2,0,0,0,0|1,0,1]=4 12942 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,2,0,0,0,0|1,0,1]=4 12943 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,2,0,0,0,0|1,0,1]=4 12944 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,2,0,0,0,0|1,0,1]=4 12945 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,2,0,0,0,0|1,0,1]=4 12946 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,2,0,0,0,0|1,0,1]=4 12947 B10R0.91 C=CCNC[C@H](C)CCCO 2230a_100160569302_100000210623 [0,2,0,0,0,0|0,0,2]=4 12948 B10R0.91 C=CCNC[C@H](C)CCCO 34a_100160569302_100015514636 [0,2,0,0,0,0|0,0,2]=4 12949 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 12950 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,0,0,0,0|1,0,1]=4 12951 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 12952 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,2,0,0,0,0|1,0,1]=4 12953 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,2,0,0,0,0|1,0,1]=4 12954 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [0,2,0,0,0,0|1,0,1]=4 12955 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,2,0,0,0,0|1,0,1]=4 12956 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,2,0,0,0,0|1,0,1]=4 12957 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,2,0,0,0,0|0,0,2]=4 12958 B10R0.91 CC#CCN(C)CCCCO 2230a_100000717598_100000748600 [0,2,0,0,0,0|0,0,2]=4 12959 B10R0.91 CC(CCCC#N)NCCO 270004a_100000210304_200000032708 [0,2,0,0,0,0|1,0,1]=4 12960 B10R0.91 CC(CCCCl)OCCCF 34a_200000718107_100011934791 [0,2,0,0,0,0|2,0,0]=4 12961 B10R0.91 CC(CCCCl)OCCCF 7a_200000718107_100011934791 [0,2,0,0,0,0|2,0,0]=4 12962 B10R0.91 CC(CCCCl)OCCCO 34a_200000718107_100000230001 [0,2,0,0,0,0|1,0,0]=3 12963 B10R0.91 CC(CCCCl)OCCCO 7a_200000718107_100011215043 [0,2,0,0,0,0|1,0,0]=3 12964 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,2,0,0,0,0|0,0,2]=4 12965 B10R0.91 CC/C=C\CN(C)CCCO 2230a_100000213112_100103147603 [0,2,0,0,0,0|0,0,2]=4 12966 B10R0.91 CC/C=C\CN(C)CCCO 269982a_100000213112_100103147603 [0,2,0,0,0,0|0,0,2]=4 12967 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,2,0,0,0,0|0,0,2]=4 12968 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,2,0,0,0,0|0,0,2]=4 12969 B10R0.91 CC=CCN(C)CCCCO 2230a_100000717598_100000070051 [0,2,0,0,0,0|0,0,2]=4 12970 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,2,0,0,0,0|0,0,2]=4 12971 B10R0.91 CCC#CC(C)OCCCO 34a_100000033903_100000230001 [0,2,0,0,0,0|0,0,2]=4 12972 B10R0.91 CCC#CC(C)OCCCO 7a_100000033903_100011215043 [0,2,0,0,0,0|0,0,2]=4 12973 B10R0.91 CCC#CCC(C)OCCO 34a_200000035118_100000211926 [0,2,0,0,0,0|0,0,2]=4 12974 B10R0.91 CCC#CCC(C)OCCO 7a_200000035118_100000211926 [0,2,0,0,0,0|0,0,2]=4 12975 B10R0.91 CCC#CCN(C)CCCO 2230a_100000213112_100009813939 [0,2,0,0,0,0|0,0,2]=4 12976 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|0,0,2]=4 12977 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,2,0,0,0,0|0,0,2]=4 12978 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,2,0,0,0,0|0,0,2]=4 12979 B10R0.91 CCCCC(=NNCCO)C 4a_100000210001_100000210087 [0,2,0,0,0,0|1,0,1]=4 12980 B10R0.91 CCCCC(=O)CC#CCO 1458a_100000210183_200000047223 [0,2,0,0,0,0|0,0,2]=4 12981 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,2,0,0,0,0|1,0,1]=4 12982 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,2,0,0,0,0|1,0,1]=4 12983 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,2,0,0,0,0|1,0,0]=3 12984 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|0,0,0]=2 12985 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|0,0,0]=2 12986 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|0,0,1]=3 12987 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|0,0,1]=3 12988 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|0,1,1]=4 12989 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|1,0,1]=4 12990 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|1,0,1]=4 12991 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,2,0,0,0,0|1,0,1]=4 12992 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,2,0,0,0,0|1,0,1]=4 12993 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,2,0,0,0,0|1,0,1]=4 12994 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,2,0,0,0,0|0,0,1]=3 12995 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,2,0,0,0,0|1,0,1]=4 12996 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,2,0,0,0,0|1,0,1]=4 12997 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,2,0,0,0,0|1,0,1]=4 12998 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,2,0,0,0,0|1,0,1]=4 12999 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,2,0,0,0,0|1,0,1]=4 13000 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,2,0,0,0,0|0,0,1]=3 13001 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,2,0,0,0,0|0,0,1]=3 13002 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,2,0,0,0,0|1,0,1]=4 13003 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,2,0,0,0,0|1,0,1]=4 13004 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,2,0,0,0,0|1,0,1]=4 13005 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [0,2,0,0,0,0|1,0,1]=4 13006 B10R0.91 CCCCC(C)COCC#N 7a_100011995851_100011215382 [0,2,0,0,0,0|1,0,1]=4 13007 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,2,0,0,0,0|0,0,2]=4 13008 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,2,0,0,0,0|0,0,2]=4 13009 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,2,0,0,0,0|1,0,0]=3 13010 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,2,0,0,0,0|1,0,0]=3 13011 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,2,0,0,0,0|1,0,0]=3 13012 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,2,0,0,0,0|1,0,0]=3 13013 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,2,0,0,0,0|0,0,0]=2 13014 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,2,0,0,0,0|0,0,0]=2 13015 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [0,2,0,0,0,0|1,1,0]=4 13016 B10R0.91 CCCCC(C)NCCC#N 2230a_100000126638_100011215226 [0,2,0,0,0,0|1,0,1]=4 13017 B10R0.91 CCCCC(C)NCCC#N 270004a_100000720768_100000210087 [0,2,0,0,0,0|1,0,1]=4 13018 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [0,2,0,0,0,0|1,0,0]=3 13019 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [0,2,0,0,0,0|1,0,0]=3 13020 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [0,2,0,0,0,0|1,0,0]=3 13021 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [0,2,0,0,0,0|1,0,0]=3 13022 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,2,0,0,0,0|0,0,0]=2 13023 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,2,0,0,0,0|0,0,0]=2 13024 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [0,2,0,0,0,0|1,0,0]=3 13025 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [0,2,0,0,0,0|1,0,0]=3 13026 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [0,2,0,0,0,0|1,0,0]=3 13027 B10R0.91 CCCCC(C)NCCSC 2230a_100000126638_100000751147 [0,2,0,0,0,0|1,1,0]=4 13028 B10R0.91 CCCCC(C)NCCSC 2230a_100020590264_200011215066 [0,2,0,0,0,0|1,1,0]=4 13029 B10R0.91 CCCCC(C)NCCSC 270004a_100020590264_100000210087 [0,2,0,0,0,0|1,1,0]=4 13030 B10R0.91 CCCCC(C)OCCC#N 7a_100000687866_100000184422 [0,2,0,0,0,0|1,0,1]=4 13031 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [0,2,0,0,0,0|1,0,0]=3 13032 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [0,2,0,0,0,0|1,0,0]=3 13033 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [0,2,0,0,0,0|1,0,0]=3 13034 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [0,2,0,0,0,0|1,0,0]=3 13035 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [0,2,0,0,0,0|1,0,0]=3 13036 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [0,2,0,0,0,0|1,0,0]=3 13037 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,2,0,0,0,0|0,0,0]=2 13038 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,2,0,0,0,0|0,0,0]=2 13039 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,2,0,0,0,0|1,0,0]=3 13040 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,2,0,0,0,0|1,0,0]=3 13041 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,2,0,0,0,0|1,0,0]=3 13042 B10R0.91 CCCCC(C)OCCON 34a_100000700252_200011215066 [0,2,0,0,0,0|1,0,0]=3 13043 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [0,2,0,0,0,0|1,1,0]=4 13044 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [0,2,0,0,0,0|1,1,0]=4 13045 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [0,2,0,0,0,0|1,1,0]=4 13046 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [0,2,0,0,0,0|1,1,0]=4 13047 B10R0.91 CCCCC(C)SCCC#N 62a_100011215226_200011215066 [0,2,0,0,0,0|1,0,1]=4 13048 B10R0.91 CCCCC(C)SCCC#N 62a_200011215066_100011215226 [0,2,0,0,0,0|1,0,1]=4 13049 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [0,2,0,0,0,0|1,0,0]=3 13050 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [0,2,0,0,0,0|1,0,0]=3 13051 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,2,0,0,0,0|0,0,0]=2 13052 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,2,0,0,0,0|0,0,0]=2 13053 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [0,2,0,0,0,0|1,0,0]=3 13054 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [0,2,0,0,0,0|1,0,0]=3 13055 B10R0.91 CCCCC(C)SCCSC 62a_100000212216_200011215066 [0,2,0,0,0,0|1,1,0]=4 13056 B10R0.91 CCCCC(C)SCCSC 62a_200011215066_100000751147 [0,2,0,0,0,0|1,1,0]=4 13057 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [0,2,0,0,0,0|2,0,0]=4 13058 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [0,2,0,0,0,0|2,0,0]=4 13059 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,2,0,0,0,0|0,0,2]=4 13060 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|1,0,1]=4 13061 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|1,0,1]=4 13062 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|1,0,0]=3 13063 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|1,0,0]=3 13064 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|1,0,0]=3 13065 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|0,0,0]=2 13066 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,1]=3 13067 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,1]=3 13068 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|0,1,1]=4 13069 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|0,1,1]=4 13070 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|1,0,1]=4 13071 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|1,0,1]=4 13072 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|1,0,1]=4 13073 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|1,0,1]=4 13074 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|1,0,1]=4 13075 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|1,0,1]=4 13076 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|1,0,1]=4 13077 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|1,0,1]=4 13078 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 13079 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 13080 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 13081 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 13082 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 13083 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 13084 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 13085 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 13086 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|0,0,1]=3 13087 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|0,0,1]=3 13088 B10R0.91 CCCCCC(C)NCC#N 2230a_100000211957_100011215382 [0,2,0,0,0,0|1,0,1]=4 13089 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,2,0,0,0,0|0,0,2]=4 13090 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,2,0,0,0,0|1,0,0]=3 13091 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,2,0,0,0,0|1,0,0]=3 13092 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,2,0,0,0,0|1,0,0]=3 13093 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,2,0,0,0,0|1,0,0]=3 13094 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,2,0,0,0,0|0,0,0]=2 13095 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,2,0,0,0,0|0,0,0]=2 13096 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,2,0,0,0,0|0,0,0]=2 13097 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,2,0,0,0,0|0,0,0]=2 13098 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,2,0,0,0,0|1,0,0]=3 13099 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,2,0,0,0,0|1,1,0]=4 13100 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,2,0,0,0,0|1,0,1]=4 13101 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,2,0,0,0,0|0,0,2]=4 13102 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,2,0,0,0,0|0,0,2]=4 13103 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,2,0,0,0,0|1,0,0]=3 13104 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,2,0,0,0,0|1,0,0]=3 13105 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,2,0,0,0,0|1,0,0]=3 13106 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,2,0,0,0,0|1,0,0]=3 13107 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,2,0,0,0,0|1,0,0]=3 13108 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,2,0,0,0,0|1,0,0]=3 13109 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,2,0,0,0,0|1,0,0]=3 13110 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,2,0,0,0,0|0,0,0]=2 13111 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,2,0,0,0,0|0,0,0]=2 13112 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,2,0,0,0,0|1,1,0]=4 13113 B10R0.91 CCCCCC(C)SCC#N 62a_100011215382_200011218191 [0,2,0,0,0,0|1,0,1]=4 13114 B10R0.91 CCCCCC(C)SCC#N 62a_200011218191_100011215382 [0,2,0,0,0,0|1,0,1]=4 13115 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,2,0,0,0,0|0,0,2]=4 13116 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,2,0,0,0,0|0,0,2]=4 13117 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,2,0,0,0,0|1,0,0]=3 13118 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,2,0,0,0,0|1,0,0]=3 13119 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,2,0,0,0,0|1,0,0]=3 13120 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,2,0,0,0,0|1,0,0]=3 13121 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,2,0,0,0,0|0,0,0]=2 13122 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,2,0,0,0,0|0,0,0]=2 13123 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,2,0,0,0,0|1,0,0]=3 13124 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,2,0,0,0,0|1,0,0]=3 13125 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,2,0,0,0,0|1,1,0]=4 13126 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,2,0,0,0,0|1,1,0]=4 13127 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [0,2,0,0,0,0|1,0,1]=4 13128 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [0,2,0,0,0,0|1,0,1]=4 13129 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [0,2,0,0,0,0|1,0,1]=4 13130 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [0,2,0,0,0,0|1,0,1]=4 13131 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,2,0,0,0,0|1,0,0]=3 13132 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,2,0,0,0,0|1,0,0]=3 13133 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,2,0,0,0,0|1,0,0]=3 13134 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,2,0,0,0,0|1,0,0]=3 13135 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,2,0,0,0,0|1,0,0]=3 13136 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,2,0,0,0,0|1,0,0]=3 13137 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,2,0,0,0,0|0,0,0]=2 13138 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,2,0,0,0,0|0,0,0]=2 13139 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,2,0,0,0,0|0,0,0]=2 13140 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,2,0,0,0,0|0,0,0]=2 13141 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,2,0,0,0,0|1,0,0]=3 13142 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,2,0,0,0,0|1,0,0]=3 13143 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,2,0,0,0,0|1,0,0]=3 13144 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,2,0,0,0,0|1,0,0]=3 13145 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,2,0,0,0,0|1,1,0]=4 13146 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,2,0,0,0,0|1,1,0]=4 13147 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,2,0,0,0,0|1,1,0]=4 13148 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,2,0,0,0,0|1,1,0]=4 13149 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,2,0,0,0,0|2,0,0]=4 13150 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [0,2,0,0,0,0|1,0,1]=4 13151 B10R0.91 CCCCN(C)CC#CCO 2230a_100000207549_200000047223 [0,2,0,0,0,0|0,0,2]=4 13152 B10R0.91 CCCCN(C)CCCC#N 2230a_100000207549_100000687738 [0,2,0,0,0,0|1,0,1]=4 13153 B10R0.91 CCCCN(C)CCCC#N 269982a_100000207549_100000687738 [0,2,0,0,0,0|1,0,1]=4 13154 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,2,0,0,0,0|0,0,2]=4 13155 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,2,0,0,0,0|0,0,2]=4 13156 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [0,2,0,0,0,0|1,0,0]=3 13157 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [0,2,0,0,0,0|1,0,0]=3 13158 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,2,0,0,0,0|0,0,0]=2 13159 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,2,0,0,0,0|0,0,0]=2 13160 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,2,0,0,0,0|0,0,0]=2 13161 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,2,0,0,0,0|0,0,0]=2 13162 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,2,0,0,0,0|0,0,0]=2 13163 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,2,0,0,0,0|0,0,0]=2 13164 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [0,2,0,0,0,0|1,0,0]=3 13165 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [0,2,0,0,0,0|1,0,0]=3 13166 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [0,2,0,0,0,0|1,0,0]=3 13167 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [0,2,0,0,0,0|1,0,0]=3 13168 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [0,2,0,0,0,0|2,0,0]=4 13169 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [0,2,0,0,0,0|2,0,0]=4 13170 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [0,2,0,0,0,0|2,0,0]=4 13171 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [0,2,0,0,0,0|2,0,0]=4 13172 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,2,0,0,0,0|0,0,0]=2 13173 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,2,0,0,0,0|0,0,0]=2 13174 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,2,0,0,0,0|1,0,1]=4 13175 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,2,0,0,0,0|1,0,1]=4 13176 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,2,0,0,0,0|1,0,1]=4 13177 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,2,0,0,0,0|1,0,1]=4 13178 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 13179 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 13180 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 13181 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 13182 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 13183 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 13184 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,2,0,0,0,0|1,0,1]=4 13185 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 13186 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,2,0,0,0,0|1,0,0]=3 13187 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,2,0,0,0,0|1,0,0]=3 13188 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,2,0,0,0,0|1,0,0]=3 13189 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,2,0,0,0,0|1,0,0]=3 13190 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [0,2,0,0,0,0|1,0,0]=3 13191 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [0,2,0,0,0,0|1,1,0]=4 13192 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [0,2,0,0,0,0|2,0,0]=4 13193 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,2,0,0,0,0|1,0,0]=3 13194 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,2,0,0,0,0|1,0,0]=3 13195 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,2,0,0,0,0|1,0,0]=3 13196 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,2,0,0,0,0|1,0,0]=3 13197 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,2,0,0,0,0|1,0,0]=3 13198 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,2,0,0,0,0|1,0,0]=3 13199 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,2,0,0,0,0|2,0,0]=4 13200 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,2,0,0,0,0|2,0,0]=4 13201 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,2,0,0,0,0|1,0,0]=3 13202 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,2,0,0,0,0|1,0,0]=3 13203 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,2,0,0,0,0|0,0,2]=4 13204 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,2,0,0,0,0|1,0,0]=3 13205 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,2,0,0,0,0|1,0,0]=3 13206 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,2,0,0,0,0|0,0,0]=2 13207 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [0,2,0,0,0,0|1,1,0]=4 13208 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,2,0,0,0,0|0,0,1]=3 13209 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,2,0,0,0,0|1,0,1]=4 13210 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,2,0,0,0,0|1,0,1]=4 13211 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,2,0,0,0,0|1,0,1]=4 13212 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,2,0,0,0,0|1,0,1]=4 13213 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [0,2,0,0,0,0|1,0,1]=4 13214 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [0,2,0,0,0,0|1,0,1]=4 13215 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [0,2,0,0,0,0|1,0,1]=4 13216 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,2,0,0,0,0|1,0,1]=4 13217 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,2,0,0,0,0|1,0,1]=4 13218 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [0,2,0,0,0,0|1,0,1]=4 13219 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [0,2,0,0,0,0|1,0,1]=4 13220 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [0,2,0,0,0,0|1,0,1]=4 13221 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [0,2,0,0,0,0|1,0,1]=4 13222 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [0,2,0,0,0,0|1,0,1]=4 13223 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [0,2,0,0,0,0|1,0,1]=4 13224 B10R0.91 CCCNC(C)CCCC#N 270004a_100020643023_200000032708 [0,2,0,0,0,0|1,0,1]=4 13225 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [0,2,0,0,0,0|1,1,0]=4 13226 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [0,2,0,0,0,0|2,0,0]=4 13227 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [0,2,0,0,0,0|2,0,0]=4 13228 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,2,0,0,0,0|2,0,0]=4 13229 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,2,0,0,0,0|2,0,0]=4 13230 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [0,2,0,0,0,0|2,0,0]=4 13231 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [0,2,0,0,0,0|2,0,0]=4 13232 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,2,0,0,0,0|0,0,0]=2 13233 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,2,0,0,0,0|0,0,0]=2 13234 B10R0.91 CCCNN=C(C)CCCO 4a_100000740057_100000759063 [0,2,0,0,0,0|1,0,1]=4 13235 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,2,0,0,0,0|1,0,1]=4 13236 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,2,0,0,0,0|1,0,1]=4 13237 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,2,0,0,0,0|1,0,1]=4 13238 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,2,0,0,0,0|1,0,1]=4 13239 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,2,0,0,0,0|1,0,0]=3 13240 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,2,0,0,0,0|1,0,0]=3 13241 B10R0.91 CCCOC(C)CNCCF 2230a_100015185124_100011217306 [0,2,0,0,0,0|2,0,0]=4 13242 B10R0.91 CCCOC(C)CNCCF 34a_100015185124_100011217306 [0,2,0,0,0,0|2,0,0]=4 13243 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,2,0,0,0,0|1,0,0]=3 13244 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,2,0,0,0,0|1,0,0]=3 13245 B10R0.91 CCCOC(C)CNCOC 2230a_100015185124_100000766300 [0,2,0,0,0,0|2,0,0]=4 13246 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,2,0,0,0,0|1,0,1]=4 13247 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|0,0,1]=3 13248 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|1,0,1]=4 13249 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,2,0,0,0,0|1,0,1]=4 13250 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,2,0,0,0,0|1,0,1]=4 13251 B10R0.91 CCCOC[C@@H](C)OCOC 34a_100016172286_100000210303 [0,2,0,0,0,0|2,0,0]=4 13252 B10R0.91 CCCOC[C@@H](C)OCOC 7a_100016172286_100000210303 [0,2,0,0,0,0|2,0,0]=4 13253 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,2,0,0,0,0|1,1,0]=4 13254 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,2,0,0,0,0|1,0,1]=4 13255 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,2,0,0,0,0|0,0,1]=3 13256 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|1,0,1]=4 13257 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,2,0,0,0,0|1,0,1]=4 13258 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,2,0,0,0,0|1,0,1]=4 13259 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [0,2,0,0,0,0|1,0,0]=3 13260 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|1,0,1]=4 13261 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|0,0,1]=3 13262 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|1,0,1]=4 13263 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,2,0,0,0,0|1,0,1]=4 13264 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,2,0,0,0,0|1,0,1]=4 13265 B10R0.91 CCOCC(C)OCCCF 34a_100000718985_100011934791 [0,2,0,0,0,0|2,0,0]=4 13266 B10R0.91 CCOCC(C)OCCCF 7a_100000718985_100011934791 [0,2,0,0,0,0|2,0,0]=4 13267 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [0,2,0,0,0,0|1,0,0]=3 13268 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [0,2,0,0,0,0|1,0,0]=3 13269 B10R0.91 CCOCC(C)OCCOC 34a_100000718985_100011201679 [0,2,0,0,0,0|2,0,0]=4 13270 B10R0.91 CCOCC(C)OCCOC 7a_100000718985_100000233755 [0,2,0,0,0,0|2,0,0]=4 13271 B10R0.91 CCOCC(O)CNCCF 2230a_102515437182_100011217306 [0,2,0,0,0,0|2,0,0]=4 13272 B10R0.91 CCOCC(O)CNCCF 34a_102515437182_100011217306 [0,2,0,0,0,0|2,0,0]=4 13273 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [0,2,0,0,0,0|1,0,0]=3 13274 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [0,2,0,0,0,0|1,0,0]=3 13275 B10R0.91 CCOCC(O)CNCOC 2230a_102515437182_100000766300 [0,2,0,0,0,0|2,0,0]=4 13276 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,2,0,0,0,0|1,0,1]=4 13277 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|0,0,1]=3 13278 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|1,0,1]=4 13279 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|1,0,1]=4 13280 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,2,0,0,0,0|1,0,1]=4 13281 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,2,0,0,0,0|1,0,1]=4 13282 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [0,2,0,0,0,0|1,0,0]=3 13283 B10R0.91 CCOCCN(C)CCCO 2230a_100000213112_100011215890 [0,2,0,0,0,0|1,0,0]=3 13284 B10R0.91 CCOCCN(C)CCCO 269982a_100000213112_100011215890 [0,2,0,0,0,0|1,0,0]=3 13285 B10R0.91 CCOCCN(C)CCOC 2230a_100000743101_100011215890 [0,2,0,0,0,0|2,0,0]=4 13286 B10R0.91 CCOCCN(C)CCOC 269982a_100000743101_100011215890 [0,2,0,0,0,0|2,0,0]=4 13287 B10R0.91 CCOCN(C)CCCCO 269982a_100000717598_100000739092 [0,2,0,0,0,0|1,0,0]=3 13288 B10R0.91 CCOCN(C)CCCOC 269982a_100000224831_100000739092 [0,2,0,0,0,0|2,0,0]=4 13289 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,2,0,0,0,0|1,0,0]=3 13290 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,2,0,0,0,0|1,0,1]=4 13291 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,2,0,0,0,0|0,0,1]=3 13292 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,2,0,0,0,0|1,0,1]=4 13293 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [0,2,0,0,0,0|1,0,1]=4 13294 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [0,2,0,0,0,0|1,0,1]=4 13295 B10R0.91 CCSCC(C)NCCCF 270004a_100015189416_200011216171 [0,2,0,0,0,0|2,0,0]=4 13296 B10R0.91 CCSCC(C)NCCCO 270004a_100000182051_200011216171 [0,2,0,0,0,0|1,0,0]=3 13297 B10R0.91 CCSCC(C)NCCOC 270004a_100000209980_200011216171 [0,2,0,0,0,0|2,0,0]=4 13298 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,2,0,0,0,0|1,0,1]=4 13299 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,2,0,0,0,0|0,0,1]=3 13300 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|1,0,1]=4 13301 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|1,0,1]=4 13302 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,2,0,0,0,0|1,0,1]=4 13303 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,2,0,0,0,0|1,0,1]=4 13304 B10R0.91 CCSCCN(C)CCCO 2230a_100000213112_100000757381 [0,2,0,0,0,0|1,0,0]=3 13305 B10R0.91 CCSCCN(C)CCCO 269982a_100000213112_100000757381 [0,2,0,0,0,0|1,0,0]=3 13306 B10R0.91 CCSCCN(C)CCOC 2230a_100000743101_100000757381 [0,2,0,0,0,0|2,0,0]=4 13307 B10R0.91 CCSCCN(C)CCOC 269982a_100000743101_100000757381 [0,2,0,0,0,0|2,0,0]=4 13308 B10R0.91 CN(CCC#N)CCCCO 2230a_100000184479_100000210776 [0,2,0,0,0,0|1,0,1]=4 13309 B10R0.91 CN(CCC#N)CCCCO 2230a_100000717598_100011215226 [0,2,0,0,0,0|1,0,1]=4 13310 B10R0.91 CN(CCC#N)CCCCO 269982a_100000717598_100011215226 [0,2,0,0,0,0|1,0,1]=4 13311 B10R0.91 CN(CCCF)CCCCO 2230a_100000717598_100011934791 [0,2,0,0,0,0|1,0,0]=3 13312 B10R0.91 CN(CCCF)CCCCO 269982a_100000717598_100011934791 [0,2,0,0,0,0|1,0,0]=3 13313 B10R0.91 CN(CCCO)CCCC#N 2230a_100000213112_100000687738 [0,2,0,0,0,0|1,0,1]=4 13314 B10R0.91 CN(CCCO)CCCC#N 269982a_100000213112_100000687738 [0,2,0,0,0,0|1,0,1]=4 13315 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [0,2,0,0,0,0|1,0,1]=4 13316 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [0,2,0,0,0,0|1,0,1]=4 13317 B10R0.91 CN(CCCO)CCCCF 2230a_100000213112_100000729493 [0,2,0,0,0,0|1,0,0]=3 13318 B10R0.91 CN(CCCO)CCCCF 269982a_100000213112_100000729493 [0,2,0,0,0,0|1,0,0]=3 13319 B10R0.91 CN(CCCO)CCCCO 2230a_100000213112_100000210776 [0,2,0,0,0,0|1,0,0]=3 13320 B10R0.91 CN(CCCO)CCCCO 2230a_100000717598_100000230001 [0,2,0,0,0,0|1,0,0]=3 13321 B10R0.91 CN(CCCO)CCCCO 269982a_100000213112_100000210776 [0,2,0,0,0,0|1,0,0]=3 13322 B10R0.91 CN(CCCO)CCCCO 269982a_100000717598_100011215043 [0,2,0,0,0,0|1,0,0]=3 13323 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|1,0,1]=4 13324 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|0,0,1]=3 13325 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|0,0,1]=3 13326 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|1,0,1]=4 13327 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,2,0,0,0,0|1,0,1]=4 13328 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,2,0,0,0,0|1,0,1]=4 13329 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,2,0,0,0,0|1,0,1]=4 13330 B10R0.91 COCCC(C)NCCCF 270004a_100015189416_100000742357 [0,2,0,0,0,0|2,0,0]=4 13331 B10R0.91 COCCC(C)NCCCO 270004a_100000182051_100000742357 [0,2,0,0,0,0|1,0,0]=3 13332 B10R0.91 COCCC(C)NCCSC 270004a_100020590264_100000742357 [0,2,0,0,0,0|2,0,0]=4 13333 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,2,0,0,0,0|1,0,1]=4 13334 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|0,0,1]=3 13335 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|1,0,1]=4 13336 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|1,0,1]=4 13337 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|1,0,1]=4 13338 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|1,0,1]=4 13339 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|1,0,1]=4 13340 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|1,0,1]=4 13341 B10R0.91 COCCCC(C)OCCF 34a_200011539412_100011217306 [0,2,0,0,0,0|2,0,0]=4 13342 B10R0.91 COCCCC(C)OCCF 7a_200011539412_100011217306 [0,2,0,0,0,0|2,0,0]=4 13343 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,2,0,0,0,0|1,0,0]=3 13344 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,2,0,0,0,0|1,0,0]=3 13345 B10R0.91 COCCCC(C)OCSC 34a_200011539412_100011218213 [0,2,0,0,0,0|2,0,0]=4 13346 B10R0.91 COCCCN(C)CCCF 2230a_100000224831_100011934791 [0,2,0,0,0,0|2,0,0]=4 13347 B10R0.91 COCCCN(C)CCCF 269982a_100000224831_100011934791 [0,2,0,0,0,0|2,0,0]=4 13348 B10R0.91 COCCCN(C)CCCO 2230a_100000213112_100000740836 [0,2,0,0,0,0|1,0,0]=3 13349 B10R0.91 COCCCN(C)CCCO 2230a_100000224831_100000230001 [0,2,0,0,0,0|1,0,0]=3 13350 B10R0.91 COCCCN(C)CCCO 269982a_100000213112_100000740836 [0,2,0,0,0,0|1,0,0]=3 13351 B10R0.91 COCCCN(C)CCCO 269982a_100000224831_100011215043 [0,2,0,0,0,0|1,0,0]=3 13352 B10R0.91 COCCCN(C)CCOC 2230a_100000224831_100011201679 [0,2,0,0,0,0|2,0,0]=4 13353 B10R0.91 COCCCN(C)CCOC 2230a_100000743101_100000740836 [0,2,0,0,0,0|2,0,0]=4 13354 B10R0.91 COCCCN(C)CCOC 269982a_100000224831_100000233755 [0,2,0,0,0,0|2,0,0]=4 13355 B10R0.91 COCCCN(C)CCOC 269982a_100000743101_100000740836 [0,2,0,0,0,0|2,0,0]=4 13356 B10R0.91 COCCCN(C)CCSC 2230a_100000224831_100000751147 [0,2,0,0,0,0|2,0,0]=4 13357 B10R0.91 COCCCN(C)CCSC 2230a_100000686725_100000740836 [0,2,0,0,0,0|2,0,0]=4 13358 B10R0.91 COCCCN(C)CCSC 269982a_100000224831_100000212216 [0,2,0,0,0,0|2,0,0]=4 13359 B10R0.91 COCCCN(C)CCSC 269982a_100000686725_100000740836 [0,2,0,0,0,0|2,0,0]=4 13360 B10R0.91 COCCN(C)CCCCF 2230a_100000743101_100000729493 [0,2,0,0,0,0|2,0,0]=4 13361 B10R0.91 COCCN(C)CCCCF 269982a_100000743101_100000729493 [0,2,0,0,0,0|2,0,0]=4 13362 B10R0.91 COCCN(C)CCCCO 2230a_100000717598_100011201679 [0,2,0,0,0,0|1,0,0]=3 13363 B10R0.91 COCCN(C)CCCCO 2230a_100000743101_100000210776 [0,2,0,0,0,0|1,0,0]=3 13364 B10R0.91 COCCN(C)CCCCO 269982a_100000717598_100000233755 [0,2,0,0,0,0|1,0,0]=3 13365 B10R0.91 COCCN(C)CCCCO 269982a_100000743101_100000210776 [0,2,0,0,0,0|1,0,0]=3 13366 B10R0.91 COCCNC(C)CCOC 270004a_100000209980_100000742357 [0,2,0,0,0,0|2,0,0]=4 13367 B10R0.91 COCCNC(C)CCSC 270004a_100000209980_100011217047 [0,2,0,0,0,0|2,0,0]=4 13368 B10R0.91 COCCOC(C)CCCCl 34a_200000718107_100011201679 [0,2,0,0,0,0|2,0,0]=4 13369 B10R0.91 COCCOC(C)CCCCl 7a_200000718107_100000233755 [0,2,0,0,0,0|2,0,0]=4 13370 B10R0.91 COCNC[C@H](C)CCCO 2230a_100160569302_100000766300 [0,2,0,0,0,0|1,0,0]=3 13371 B10R0.91 COCO[C@H](C)COCCO 34a_100016172286_100000211926 [0,2,0,0,0,0|2,0,0]=4 13372 B10R0.91 COCO[C@H](C)COCCO 7a_100016172286_100000211926 [0,2,0,0,0,0|2,0,0]=4 13373 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,2,0,0,0,0|1,0,1]=4 13374 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,2,0,0,0,0|0,0,1]=3 13375 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,2,0,0,0,0|0,0,1]=3 13376 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,2,0,0,0,0|1,0,1]=4 13377 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,2,0,0,0,0|1,0,1]=4 13378 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,2,0,0,0,0|1,0,1]=4 13379 B10R0.91 CSCCC(C)NCCCF 270004a_100015189416_100011217047 [0,2,0,0,0,0|2,0,0]=4 13380 B10R0.91 CSCCC(C)NCCCO 270004a_100000182051_100011217047 [0,2,0,0,0,0|1,0,0]=3 13381 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,2,0,0,0,0|1,0,1]=4 13382 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|0,0,1]=3 13383 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|1,0,1]=4 13384 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|1,0,1]=4 13385 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [0,2,0,0,0,0|1,0,0]=3 13386 B10R0.91 CSCCN(C)CCCCF 2230a_100000686725_100000729493 [0,2,0,0,0,0|2,0,0]=4 13387 B10R0.91 CSCCN(C)CCCCF 269982a_100000686725_100000729493 [0,2,0,0,0,0|2,0,0]=4 13388 B10R0.91 CSCCN(C)CCCCO 2230a_100000686725_100000210776 [0,2,0,0,0,0|1,0,0]=3 13389 B10R0.91 CSCCN(C)CCCCO 2230a_100000717598_100000751147 [0,2,0,0,0,0|1,0,0]=3 13390 B10R0.91 CSCCN(C)CCCCO 269982a_100000686725_100000210776 [0,2,0,0,0,0|1,0,0]=3 13391 B10R0.91 CSCCN(C)CCCCO 269982a_100000717598_100000212216 [0,2,0,0,0,0|1,0,0]=3 13392 B10R0.91 CSCCOC(C)CCCCl 34a_200000718107_100000212216 [0,2,0,0,0,0|2,0,0]=4 13393 B10R0.91 CSCCOC(C)CCCCl 7a_200000718107_100000212216 [0,2,0,0,0,0|2,0,0]=4 13394 B10R0.91 CSCC[C@H](N)COCCF 34a_100011827619_100011217306 [0,2,0,0,0,0|2,0,0]=4 13395 B10R0.91 CSCC[C@H](N)COCCO 34a_100011827619_100000211926 [0,2,0,0,0,0|1,0,0]=3 13396 B10R0.91 CSCNC[C@H](C)CCCO 2230a_100160569302_100011218213 [0,2,0,0,0,0|1,0,0]=3 13397 B10R0.91 CSCNC[C@H](C)CCCO 34a_100160569302_100011218213 [0,2,0,0,0,0|1,0,0]=3 13398 B10R0.91 C[C@H](CCCO)CNCC#N 2230a_100160569302_100011215382 [0,2,0,0,0,0|1,0,1]=4 13399 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,2,0,0,0,0|1,0,1]=4 13400 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,2,0,0,0,0|1,0,1]=4 13401 B10R0.91 C[C@H](CCCO)CNCCF 2230a_100160569302_100011217306 [0,2,0,0,0,0|1,0,0]=3 13402 B10R0.91 C[C@H](CCCO)CNCCF 34a_100160569302_100011217306 [0,2,0,0,0,0|1,0,0]=3 13403 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [0,2,0,0,0,0|1,0,0]=3 13404 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [0,2,0,0,0,0|1,0,0]=3 13405 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,2,0,0,0,0|0,0,2]=4 13406 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,2,0,0,0,0|0,0,2]=4 13407 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,2,0,0,0,0|0,0,2]=4 13408 B10R0.91 NCCCC[C@H](N)COCF 34a_100016993712_100015361967 [0,2,0,0,0,0|2,0,0]=4 13409 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,2,0,0,0,0|1,0,1]=4 13410 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,2,0,0,0,0|0,0,1]=3 13411 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,2,0,0,0,0|1,0,1]=4 13412 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,2,0,0,0,0|0,0,1]=3 13413 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,2,0,0,0,0|1,0,1]=4 13414 B10R0.108 CC(CCBr)OCC(O)CO 34a_100012276601_100011219619 [0,2,0,0,0,0|2,0,0]=4 13415 B10R0.108 CC(CCBr)OC[C@@H](C)CO 34a_100012276601_100000059175 [0,2,0,0,0,0|2,0,0]=4 13416 B10R0.108 CC(CCBr)OC[C@@H](O)CO 34a_100012276601_100009815848 [0,2,0,0,0,0|2,0,0]=4 13417 B10R0.108 CC(CCN)COC(C)CO 34a_106354213184_100012180447 [0,2,0,0,0,0|2,0,0]=4 13418 B10R0.108 CC(CCO)NC[C@@H](F)CO 34a_100015665980_100009893172 [0,2,0,0,0,0|2,0,0]=4 13419 B10R0.108 CC(CCO)NC[C@H](O)CO 2230a_100020644852_100009893172 [0,2,0,0,0,0|2,0,0]=4 13420 B10R0.108 CC(CCO)OCC(Cl)CCl 34a_100000033668_100009893172 [0,2,0,0,0,0|2,0,0]=4 13421 B10R0.108 CC(CCO)OC[C@H](F)CN 34a_100015665980_100009893172 [0,2,0,0,0,0|2,0,0]=4 13422 B10R0.108 CC(CCO)SCC(O)CO 62a_100009893172_100011219619 [0,2,0,0,0,0|2,0,0]=4 13423 B10R0.108 CC(CCO)SCC(O)CO 62a_100011219619_100009893172 [0,2,0,0,0,0|2,0,0]=4 13424 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100000059175_100009893172 [0,2,0,0,0,0|2,0,0]=4 13425 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100009893172_100000059175 [0,2,0,0,0,0|2,0,0]=4 13426 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100009893172_100015614560 [0,2,0,0,0,0|2,0,0]=4 13427 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100015614560_100009893172 [0,2,0,0,0,0|2,0,0]=4 13428 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009815848_100009893172 [0,2,0,0,0,0|2,0,0]=4 13429 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009893172_100009815848 [0,2,0,0,0,0|2,0,0]=4 13430 B10R0.108 CC(CN)COC(C)CCO 34a_100000744482_100009893172 [0,2,0,0,0,0|2,0,0]=4 13431 B10R0.108 CC(CO)CNC(C)CCO 34a_100000744482_100009893172 [0,2,0,0,0,0|2,0,0]=4 13432 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [0,2,0,0,0,0|1,0,1]=4 13433 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [0,2,0,0,0,0|1,0,1]=4 13434 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [0,2,0,0,0,0|1,0,1]=4 13435 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|1,0,1]=4 13436 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|0,0,1]=3 13437 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [0,2,0,0,0,0|2,0,0]=4 13438 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,2,0,0,0,0|1,0,1]=4 13439 B10R0.108 CCC(C)CNC(C)CCO 2230a_100020588543_100009893172 [0,2,0,0,0,0|1,0,0]=3 13440 B10R0.108 CCC(C)CN[C@H](C)CCO 2230a_100000706166_100000748023 [0,2,0,0,0,0|1,0,0]=3 13441 B10R0.108 CCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243153 [0,2,0,0,0,0|1,0,0]=3 13442 B10R0.108 CCC(C)CN[C@H](C)CCO 34a_100000706166_100000748023 [0,2,0,0,0,0|1,0,0]=3 13443 B10R0.108 CCC(C)COC(C)CCBr 34a_100012276601_100000748023 [0,2,0,0,0,0|2,0,0]=4 13444 B10R0.108 CCC(C)CSC(C)CCO 62a_100000748023_100009893172 [0,2,0,0,0,0|1,0,0]=3 13445 B10R0.108 CCC(C)CSC(C)CCO 62a_100009893172_100000748023 [0,2,0,0,0,0|1,0,0]=3 13446 B10R0.108 CCC(C)OCC(C)CCN 34a_106354213184_100011215416 [0,2,0,0,0,0|2,0,0]=4 13447 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,2,0,0,0,0|1,0,1]=4 13448 B10R0.108 CCC(O)CNC(C)CCO 2230a_100011218483_100009893172 [0,2,0,0,0,0|1,0,0]=3 13449 B10R0.108 CCC(O)CN[C@H](C)CCO 2230a_100000706166_100011218378 [0,2,0,0,0,0|1,0,0]=3 13450 B10R0.108 CCC(O)CN[C@H](C)CCO 34a_100000706166_100011218378 [0,2,0,0,0,0|1,0,0]=3 13451 B10R0.108 CCC(O)COC(C)CCBr 34a_100012276601_100011218378 [0,2,0,0,0,0|2,0,0]=4 13452 B10R0.108 CCC(O)CSC(C)CCO 62a_100009893172_100011218378 [0,2,0,0,0,0|1,0,0]=3 13453 B10R0.108 CCC(O)CSC(C)CCO 62a_100011218378_100009893172 [0,2,0,0,0,0|1,0,0]=3 13454 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|1,0,1]=4 13455 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,2,0,0,0,0|1,0,1]=4 13456 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,2,0,0,0,0|1,0,1]=4 13457 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,2,0,0,0,0|1,0,1]=4 13458 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,2,0,0,0,0|1,0,1]=4 13459 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,2,0,0,0,0|1,0,1]=4 13460 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,2,0,0,0,0|1,0,1]=4 13461 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,2,0,0,0,0|1,0,1]=4 13462 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,2,0,0,0,0|1,0,1]=4 13463 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,2,0,0,0,0|1,0,1]=4 13464 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,2,0,0,0,0|1,0,1]=4 13465 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,2,0,0,0,0|2,0,0]=4 13466 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [0,2,0,0,0,0|2,0,0]=4 13467 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [0,2,0,0,0,0|2,0,0]=4 13468 B10R0.108 CCCC(C)CN[C@H](C)CF 270004a_100102880703_100000243154 [0,2,0,0,0,0|2,0,0]=4 13469 B10R0.108 CCCC(C)CN[C@H](C)CO 2230a_100000737577_100011216630 [0,2,0,0,0,0|1,0,0]=3 13470 B10R0.108 CCCC(C)CN[C@H](C)CO 270004a_100000737577_100000243154 [0,2,0,0,0,0|1,0,0]=3 13471 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,2,0,0,0,0|2,0,0]=4 13472 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,2,0,0,0,0|2,0,0]=4 13473 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,2,0,0,0,0|2,0,0]=4 13474 B10R0.108 CCCC(C)COC(C)CF 34a_100016041109_100011216630 [0,2,0,0,0,0|2,0,0]=4 13475 B10R0.108 CCCC(C)COC(C)CF 7a_100016041109_100011216630 [0,2,0,0,0,0|2,0,0]=4 13476 B10R0.108 CCCC(C)COC(C)CN 34a_100000210904_100011216630 [0,2,0,0,0,0|2,0,0]=4 13477 B10R0.108 CCCC(C)COC(C)CO 34a_100000688023_100012180447 [0,2,0,0,0,0|1,0,0]=3 13478 B10R0.108 CCCC(C)COC(C)CO 7a_100000688023_100012180447 [0,2,0,0,0,0|1,0,0]=3 13479 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [0,2,0,0,0,0|2,0,0]=4 13480 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [0,2,0,0,0,0|2,0,0]=4 13481 B10R0.108 CCCC(C)CSC(C)CO 62a_100012180447_100011216630 [0,2,0,0,0,0|1,0,0]=3 13482 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100011216630_100016084084 [0,2,0,0,0,0|1,0,0]=3 13483 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100016084084_100011216630 [0,2,0,0,0,0|1,0,0]=3 13484 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [0,2,0,0,0,0|2,0,0]=4 13485 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [0,2,0,0,0,0|2,0,0]=4 13486 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [0,2,0,0,0,0|2,0,0]=4 13487 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [0,2,0,0,0,0|2,0,0]=4 13488 B10R0.108 CCCC(C)NCC(C)CO 34a_100000744482_100000766640 [0,2,0,0,0,0|1,0,0]=3 13489 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,2,0,0,0,0|2,0,0]=4 13490 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,2,0,0,0,0|2,0,0]=4 13491 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,2,0,0,0,0|2,0,0]=4 13492 B10R0.108 CCCC(C)NCC(O)CO 2230a_100000741246_100011219619 [0,2,0,0,0,0|1,0,0]=3 13493 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [0,2,0,0,0,0|2,0,0]=4 13494 B10R0.108 CCCC(C)NC[C@@H](C)CO 2230a_100000741246_100000059175 [0,2,0,0,0,0|1,0,0]=3 13495 B10R0.108 CCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000211909 [0,2,0,0,0,0|1,0,0]=3 13496 B10R0.108 CCCC(C)NC[C@@H](F)CO 34a_100015665980_100000766640 [0,2,0,0,0,0|1,0,0]=3 13497 B10R0.108 CCCC(C)NC[C@@H](O)CF 2230a_100000741246_100015614560 [0,2,0,0,0,0|2,0,0]=4 13498 B10R0.108 CCCC(C)NC[C@@H](O)CO 2230a_100000741246_100009815848 [0,2,0,0,0,0|1,0,0]=3 13499 B10R0.108 CCCC(C)NC[C@H](O)CO 2230a_100020644852_100000766640 [0,2,0,0,0,0|1,0,0]=3 13500 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,2,0,0,0,0|2,0,0]=4 13501 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,2,0,0,0,0|2,0,0]=4 13502 B10R0.108 CCCC(C)OCC(C)CN 34a_100000744482_100000766640 [0,2,0,0,0,0|2,0,0]=4 13503 B10R0.108 CCCC(C)OCC(Cl)CCl 34a_100000033668_100000766640 [0,2,0,0,0,0|2,0,0]=4 13504 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,2,0,0,0,0|2,0,0]=4 13505 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,2,0,0,0,0|2,0,0]=4 13506 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,2,0,0,0,0|1,0,0]=3 13507 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,2,0,0,0,0|1,0,0]=3 13508 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,2,0,0,0,0|2,0,0]=4 13509 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,2,0,0,0,0|2,0,0]=4 13510 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,2,0,0,0,0|2,0,0]=4 13511 B10R0.108 CCCC(C)OC[C@@H](C)CO 34a_100000764384_100000059175 [0,2,0,0,0,0|1,0,0]=3 13512 B10R0.108 CCCC(C)OC[C@@H](C)CO 7a_100000764384_100000059175 [0,2,0,0,0,0|1,0,0]=3 13513 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [0,2,0,0,0,0|2,0,0]=4 13514 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [0,2,0,0,0,0|2,0,0]=4 13515 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,2,0,0,0,0|1,0,0]=3 13516 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,2,0,0,0,0|1,0,0]=3 13517 B10R0.108 CCCC(C)OC[C@H](F)CN 34a_100015665980_100000766640 [0,2,0,0,0,0|2,0,0]=4 13518 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [0,2,0,0,0,0|2,0,0]=4 13519 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [0,2,0,0,0,0|2,0,0]=4 13520 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [0,2,0,0,0,0|2,0,0]=4 13521 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [0,2,0,0,0,0|2,0,0]=4 13522 B10R0.108 CCCC(C)SCC(O)CO 62a_100000766640_100011219619 [0,2,0,0,0,0|1,0,0]=3 13523 B10R0.108 CCCC(C)SCC(O)CO 62a_100011219619_100000766640 [0,2,0,0,0,0|1,0,0]=3 13524 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [0,2,0,0,0,0|2,0,0]=4 13525 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [0,2,0,0,0,0|2,0,0]=4 13526 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000059175_100000766640 [0,2,0,0,0,0|1,0,0]=3 13527 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000766640_100000059175 [0,2,0,0,0,0|1,0,0]=3 13528 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100000766640_100015614560 [0,2,0,0,0,0|2,0,0]=4 13529 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100015614560_100000766640 [0,2,0,0,0,0|2,0,0]=4 13530 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100000766640_100009815848 [0,2,0,0,0,0|1,0,0]=3 13531 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100009815848_100000766640 [0,2,0,0,0,0|1,0,0]=3 13532 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,2,0,0,0,0|2,0,0]=4 13533 B10R0.108 CCC[C@H](N)COC(C)CO 34a_100000732646_100012180447 [0,2,0,0,0,0|1,0,0]=3 13534 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,2,0,0,0,0|1,0,1]=4 13535 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,2,0,0,0,0|2,0,0]=4 13536 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|1,0,1]=4 13537 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 2230a_100000706166_100009816398 [0,2,0,0,0,0|1,0,0]=3 13538 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 34a_100000706166_100009816398 [0,2,0,0,0,0|1,0,0]=3 13539 B10R0.108 CC[C@H](C)COC(C)CCBr 34a_100012276601_100009816398 [0,2,0,0,0,0|2,0,0]=4 13540 B10R0.108 CC[C@H](C)COC(C)CCO 7a_100009816381_100009893172 [0,2,0,0,0,0|1,0,0]=3 13541 B10R0.108 CC[C@H](C)CSC(C)CCO 62a_100009816398_100009893172 [0,2,0,0,0,0|1,0,0]=3 13542 B10R0.108 CC[C@H](C)CSC(C)CCO 62a_100009893172_100009816398 [0,2,0,0,0,0|1,0,0]=3 13543 B10R0.108 COC(C)COC(C)CCO 34a_100000690652_100009893172 [0,2,0,0,0,0|2,0,0]=4 13544 B10R0.108 COCC(C)NCC(C)CO 34a_100000744482_100000765312 [0,2,0,0,0,0|2,0,0]=4 13545 B10R0.108 COCC(C)NC[C@@H](F)CO 270004a_100015665980_100000749346 [0,2,0,0,0,0|2,0,0]=4 13546 B10R0.108 COCC(C)NC[C@@H](F)CO 34a_100015665980_100000765312 [0,2,0,0,0,0|2,0,0]=4 13547 B10R0.108 COCC(C)NC[C@H](O)CO 2230a_100020644852_100000765312 [0,2,0,0,0,0|2,0,0]=4 13548 B10R0.108 COCC(C)SCC(O)CO 62a_100000765312_100011219619 [0,2,0,0,0,0|2,0,0]=4 13549 B10R0.108 COCC(C)SCC(O)CO 62a_100011219619_100000765312 [0,2,0,0,0,0|2,0,0]=4 13550 B10R0.108 COCC(C)SC[C@@H](C)CO 62a_100000059175_100000765312 [0,2,0,0,0,0|2,0,0]=4 13551 B10R0.108 COCC(C)SC[C@@H](C)CO 62a_100000765312_100000059175 [0,2,0,0,0,0|2,0,0]=4 13552 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100000765312_100009815848 [0,2,0,0,0,0|2,0,0]=4 13553 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100009815848_100000765312 [0,2,0,0,0,0|2,0,0]=4 13554 B10R0.108 COCC(N)COC(C)CO 34a_100000724102_100012180447 [0,2,0,0,0,0|2,0,0]=4 13555 B10R0.108 COCC(O)CNC(C)CO 2230a_100000756049_100012180447 [0,2,0,0,0,0|2,0,0]=4 13556 B10R0.108 COCC(O)CNC(C)CO 34a_100000756049_100012180447 [0,2,0,0,0,0|2,0,0]=4 13557 B10R0.108 COCC(O)CSC(C)CO 62a_100012180447_100011215053 [0,2,0,0,0,0|2,0,0]=4 13558 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100011215053_100016084084 [0,2,0,0,0,0|2,0,0]=4 13559 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100016084084_100011215053 [0,2,0,0,0,0|2,0,0]=4 13560 B10R0.108 COC[C@@H](C)NCC(O)CO 2230a_100000764878_100011219619 [0,2,0,0,0,0|2,0,0]=4 13561 B10R0.108 COC[C@@H](C)NC[C@@H](C)CO 2230a_100000764878_100000059175 [0,2,0,0,0,0|2,0,0]=4 13562 B10R0.108 COC[C@@H](C)NC[C@@H](O)CO 2230a_100000764878_100009815848 [0,2,0,0,0,0|2,0,0]=4 13563 B10R0.108 COC[C@@H](C)OCC(O)CO 34a_100011934205_100011219619 [0,2,0,0,0,0|2,0,0]=4 13564 B10R0.108 COC[C@@H](C)OC[C@@H](C)CO 34a_100011934205_100000059175 [0,2,0,0,0,0|2,0,0]=4 13565 B10R0.108 COC[C@@H](C)OC[C@@H](O)CO 34a_100011934205_100009815848 [0,2,0,0,0,0|2,0,0]=4 13566 B10R0.108 CO[C@H](C)CNC(C)CCO 2230a_100020591295_100009893172 [0,2,0,0,0,0|2,0,0]=4 13567 B10R0.108 CSCC(C)NC[C@@H](F)CO 270004a_100015665980_100011216314 [0,2,0,0,0,0|2,0,0]=4 13568 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 2230a_100000706166_100000059175 [0,2,0,0,0,0|2,0,0]=4 13569 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 34a_100000706166_100000059175 [0,2,0,0,0,0|2,0,0]=4 13570 B10R0.108 C[C@H](CCO)NCC(O)CO 2230a_100000706166_100011219619 [0,2,0,0,0,0|2,0,0]=4 13571 B10R0.108 C[C@H](CCO)NCC(O)CO 34a_100000706166_100011219619 [0,2,0,0,0,0|2,0,0]=4 13572 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 2230a_100000706166_100015614560 [0,2,0,0,0,0|2,0,0]=4 13573 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 34a_100000706166_100015614560 [0,2,0,0,0,0|2,0,0]=4 13574 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 2230a_100000706166_100009815848 [0,2,0,0,0,0|2,0,0]=4 13575 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 34a_100000706166_100009815848 [0,2,0,0,0,0|2,0,0]=4 13576 B10R0.156 CC(C)(CCBr)OCCCO 7a_100000702414_100011215043 [0,2,0,0,0,0|2,0,0]=4 13577 B10R0.156 CCCC(C)(C)COCCF 7a_100011995695_100011217306 [0,2,0,0,0,0|2,0,0]=4 13578 B10R0.156 CCCC(C)(C)COCCO 7a_100011995695_100000211926 [0,2,0,0,0,0|1,0,0]=3 13579 B10R0.156 CCCC(C)(C)OCCCF 7a_100000748436_100011934791 [0,2,0,0,0,0|2,0,0]=4 13580 B10R0.156 CCCC(C)(C)OCCCO 7a_100000748436_100011215043 [0,2,0,0,0,0|1,0,0]=3 13581 B10R0.156 CCCCOC(C)(C)CCBr 7a_100000702414_100000210211 [0,2,0,0,0,0|2,0,0]=4 13582 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [0,2,0,0,0,0|2,0,0]=4 13583 B10R0.156 CCCOCC(C)(C)CCC 7a_100011995695_100000210303 [0,2,0,0,0,0|2,0,0]=4 13584 B10R0.156 CCCS(=O)(=O)NCCCO 270084a_100000182051_100000211391 [0,2,0,0,0,0|2,0,0]=4 13585 B10R0.156 CCCS(=O)(=O)NCCCO 274078a_100000182051_100000211391 [0,2,0,0,0,0|2,0,0]=4 13586 B10R0.156 CCCS(=O)(=O)NCCCO 40a_100000182051_100000054278 [0,2,0,0,0,0|2,0,0]=4 13587 B10R0.156 CCCSC[N+](C)(C)CCO 62a_100000210303_200010270792 [0,2,0,0,0,0|2,0,0]=4 13588 B10R0.156 CCCSC[N+](C)(C)CCO 62a_200010270792_100000210303 [0,2,0,0,0,0|2,0,0]=4 13589 B10R0.156 CCNC(C)(C)COCCO 7a_100000747347_100000211926 [0,2,0,0,0,0|2,0,0]=4 13590 B10R0.156 COCC(C)(C)CNCCO 2230a_100000734190_100000211926 [0,2,0,0,0,0|2,0,0]=4 13591 B10R0.156 COCC(C)(C)NCCCO 2230a_100000752728_100000230001 [0,2,0,0,0,0|2,0,0]=4 13592 B10R0.156 CSCC(C)(C)NCCCO 2230a_100000759623_100000230001 [0,2,0,0,0,0|2,0,0]=4 13593 B10R0.156 CSCC(C)(C)NCCCO 7a_100000759623_100011215043 [0,2,0,0,0,0|2,0,0]=4 13594 B10R0.16 C#CC(CCCC)OCCC 34a_200011217967_100000210303 [0,2,0,0,0,0|2,0,0]=4 13595 B10R0.16 C#CC(CCCC)OCCC 7a_200011217967_100000210303 [0,2,0,0,0,0|2,0,0]=4 13596 B10R0.16 C#CC(CCCC)OCCF 34a_200011217967_100011217306 [0,2,0,0,0,0|2,0,0]=4 13597 B10R0.16 C#CC(CCCC)OCCF 7a_200011217967_100011217306 [0,2,0,0,0,0|2,0,0]=4 13598 B10R0.16 C#CC(CCCC)OCCO 34a_200011217967_100000211926 [0,2,0,0,0,0|1,0,0]=3 13599 B10R0.16 C#CC(CCCC)OCCO 7a_200011217967_100000211926 [0,2,0,0,0,0|1,0,0]=3 13600 B10R0.16 C=CC(CCCC)OCCC 34a_200011215037_100000210303 [0,2,0,0,0,0|2,0,0]=4 13601 B10R0.16 C=CC(CCCC)OCCC 7a_200011215037_100000210303 [0,2,0,0,0,0|2,0,0]=4 13602 B10R0.16 C=CC(CCCC)OCCF 34a_200011215037_100011217306 [0,2,0,0,0,0|2,0,0]=4 13603 B10R0.16 C=CC(CCCC)OCCF 7a_200011215037_100011217306 [0,2,0,0,0,0|2,0,0]=4 13604 B10R0.16 C=CC(CCCC)OCCO 34a_200011215037_100000211926 [0,2,0,0,0,0|1,0,0]=3 13605 B10R0.16 C=CC(CCCC)OCCO 7a_200011215037_100000211926 [0,2,0,0,0,0|1,0,0]=3 13606 B10R0.16 CCCCC(CC)CNCC 2230a_100000209976_100000210202 [0,2,0,0,0,0|2,0,0]=4 13607 B10R0.16 CCCCC(CC)CNCC 2230a_100015525214_100000211942 [0,2,0,0,0,0|2,0,0]=4 13608 B10R0.16 CCCCC(CC)CNCC 269862a_100015525214_100011219736 [0,2,0,0,0,0|2,0,0]=4 13609 B10R0.16 CCCCC(CC)CNCC 270004a_100015525214_100011219736 [0,2,0,0,0,0|2,0,0]=4 13610 B10R0.16 CCCCC(CC)COCC 34a_100000210273_100000210202 [0,2,0,0,0,0|2,0,0]=4 13611 B10R0.16 CCCCC(CC)COCC 34a_100121572206_100000211942 [0,2,0,0,0,0|2,0,0]=4 13612 B10R0.16 CCCCC(CC)COCC 7a_100000210273_100000210202 [0,2,0,0,0,0|2,0,0]=4 13613 B10R0.16 CCCCC(CC)COCF 34a_100000210273_100015361967 [0,2,0,0,0,0|2,0,0]=4 13614 B10R0.16 CCCCC(CC)COCF 7a_100000210273_100015361967 [0,2,0,0,0,0|2,0,0]=4 13615 B10R0.16 CCCCC(CC)CSCC 62a_100000210202_100000211942 [0,2,0,0,0,0|2,0,0]=4 13616 B10R0.16 CCCCC(CC)CSCC 62a_100000211942_100000210202 [0,2,0,0,0,0|2,0,0]=4 13617 B10R0.16 CCCCC(CC)CSCF 62a_100000211942_100015361967 [0,2,0,0,0,0|2,0,0]=4 13618 B10R0.16 CCCCC(CC)CSCF 62a_100015361967_100000211942 [0,2,0,0,0,0|2,0,0]=4 13619 B10R0.16 CCCCC(CC)NCCC 270004a_100020643023_100000753412 [0,2,0,0,0,0|2,0,0]=4 13620 B10R0.16 CCCCC(CC)NCCF 34a_100000724931_200011216223 [0,2,0,0,0,0|2,0,0]=4 13621 B10R0.16 CCCCC(CC)NCCO 270004a_100000210304_100000753412 [0,2,0,0,0,0|1,0,0]=3 13622 B10R0.16 CCCCC(CC)NCCO 34a_100016990907_200011216223 [0,2,0,0,0,0|1,0,0]=3 13623 B10R0.16 CCCCC(CC)OCCBr 34a_100000211926_200011216223 [0,2,0,0,0,0|2,0,0]=4 13624 B10R0.16 CCCCC(CC)OCCC 34a_100000210258_200011216223 [0,2,0,0,0,0|2,0,0]=4 13625 B10R0.16 CCCCC(CC)OCCC 34a_100011215227_100000210303 [0,2,0,0,0,0|2,0,0]=4 13626 B10R0.16 CCCCC(CC)OCCC 7a_100011215227_100000210303 [0,2,0,0,0,0|2,0,0]=4 13627 B10R0.16 CCCCC(CC)OCCF 34a_100011215227_100011217306 [0,2,0,0,0,0|2,0,0]=4 13628 B10R0.16 CCCCC(CC)OCCF 7a_100011215227_100011217306 [0,2,0,0,0,0|2,0,0]=4 13629 B10R0.16 CCCCC(CC)OCCN 34a_100000210304_200011216223 [0,2,0,0,0,0|2,0,0]=4 13630 B10R0.16 CCCCC(CC)OCCO 34a_100011215227_100000211926 [0,2,0,0,0,0|1,0,0]=3 13631 B10R0.16 CCCCC(CC)OCCO 7a_100011215227_100000211926 [0,2,0,0,0,0|1,0,0]=3 13632 B10R0.16 CCCCC(CC)SCCC 62a_100000210303_200011216223 [0,2,0,0,0,0|2,0,0]=4 13633 B10R0.16 CCCCC(CC)SCCC 62a_200011216223_100000210303 [0,2,0,0,0,0|2,0,0]=4 13634 B10R0.16 CCCCC(CC)SCCF 62a_100011217306_200011216223 [0,2,0,0,0,0|2,0,0]=4 13635 B10R0.16 CCCCC(CC)SCCF 62a_200011216223_100011217306 [0,2,0,0,0,0|2,0,0]=4 13636 B10R0.16 CCCCC(CC)SCCO 62a_100000211926_200011216223 [0,2,0,0,0,0|1,0,0]=3 13637 B10R0.16 CCCCC(CC)SCCO 62a_200011216223_100000211926 [0,2,0,0,0,0|1,0,0]=3 13638 B10R0.16 CCCCC(CCCC)NC 2230a_200011995792_200000210301 [0,2,0,0,0,0|1,0,0]=3 13639 B10R0.16 CCCCC(CCCC)NC 270004a_106832991635_100011218081 [0,2,0,0,0,0|1,0,0]=3 13640 B10R0.16 CCCCC(CCCC)NC 34a_200011995792_200000210301 [0,2,0,0,0,0|1,0,0]=3 13641 B10R0.16 CCCCC(CCCC)N[13CH3] 2230a_200011995792_200025704644 [0,2,0,0,0,0|1,0,0]=3 13642 B10R0.16 CCCCC(CCCC)N[13CH3] 34a_200011995792_200025704644 [0,2,0,0,0,0|1,0,0]=3 13643 B10R0.16 CCCCC(CCCC)OC 34a_200011215786_200000210301 [0,2,0,0,0,0|1,0,0]=3 13644 B10R0.16 CCCCC(CCCC)OC 7a_200011215786_200000210301 [0,2,0,0,0,0|1,0,0]=3 13645 B10R0.16 CCCCC(CCCC)O[13CH3] 34a_200011215786_200025704644 [0,2,0,0,0,0|1,0,0]=3 13646 B10R0.16 CCCCC(CCCC)O[13CH3] 7a_200011215786_200025704644 [0,2,0,0,0,0|1,0,0]=3 13647 B10R0.16 CCCCN(CC)CCCC 2230a_100000207695_100000210211 [0,2,0,0,0,0|2,0,0]=4 13648 B10R0.16 CCCCN(CC)CCCC 2230a_100000684618_100000210202 [0,2,0,0,0,0|2,0,0]=4 13649 B10R0.16 CCCCN(CC)CCCC 269982a_100000207695_100000210211 [0,2,0,0,0,0|2,0,0]=4 13650 B10R0.16 CCCCN(CC)CCCC 269982a_100000684618_100000204670 [0,2,0,0,0,0|2,0,0]=4 13651 B10R0.16 CCCCN(CC)CCCF 2230a_100000207695_100011934791 [0,2,0,0,0,0|2,0,0]=4 13652 B10R0.16 CCCCN(CC)CCCF 269982a_100000207695_100011934791 [0,2,0,0,0,0|2,0,0]=4 13653 B10R0.16 CCCCN(CC)CCCO 2230a_100000207695_100000230001 [0,2,0,0,0,0|1,0,0]=3 13654 B10R0.16 CCCCN(CC)CCCO 269982a_100000207695_100011215043 [0,2,0,0,0,0|1,0,0]=3 13655 B10R0.16 CCCCN(CF)CCCC 269982a_100000684618_100015361967 [0,2,0,0,0,0|2,0,0]=4 13656 B10R0.16 CCCC[C@@H](CO)NCCC 2230a_100011934283_100000210303 [0,2,0,0,0,0|2,0,0]=4 13657 B10R0.16 CCCC[C@@H](CO)NCCC 34a_100011934283_100000210303 [0,2,0,0,0,0|2,0,0]=4 13658 B10R0.16 CCCC[C@@H](CO)NCCF 2230a_100011934283_100011217306 [0,2,0,0,0,0|2,0,0]=4 13659 B10R0.16 CCCC[C@@H](CO)NCCF 34a_100011934283_100011217306 [0,2,0,0,0,0|2,0,0]=4 13660 B10R0.16 CCCC[C@@H](CO)NCCO 2230a_100011934283_100000211926 [0,2,0,0,0,0|1,0,0]=3 13661 B10R0.16 CCCC[C@@H](CO)NCCO 34a_100011934283_100000211926 [0,2,0,0,0,0|1,0,0]=3 13662 B10R0.16 CCN(CCCO)CCCO 2230a_100000212923_100000210202 [0,2,0,0,0,0|2,0,0]=4 13663 B10R0.16 CCN(CCCO)CCCO 269982a_100000212923_100000204670 [0,2,0,0,0,0|2,0,0]=4 13664 B10R0.16 CCN(CCCO)CCCO 34a_100000212923_100000210202 [0,2,0,0,0,0|2,0,0]=4 13665 B10R0.16 CCN(CCCO)CCOC 2230a_100000731262_100000230001 [0,2,0,0,0,0|2,0,0]=4 13666 B10R0.16 CCN(CCCO)CCOC 269982a_100000731262_100011215043 [0,2,0,0,0,0|2,0,0]=4 13667 B10R0.16 CCOCC(CN)OCCO 34a_102515437182_100000211926 [0,2,0,0,0,0|2,0,0]=4 13668 B10R0.16 CSCC[C@@H](CO)NCCO 2230a_100011827619_100000211926 [0,2,0,0,0,0|2,0,0]=4 13669 B10R0.16 OCCCN(CF)CCCO 269982a_100000212923_100015361967 [0,2,0,0,0,0|2,0,0]=4 13670 B10R0.16 OCCCN(CF)CCCO 34a_100000212923_100015361967 [0,2,0,0,0,0|2,0,0]=4 13671 B10R0.18 CC(CO)OC(C)CCCCl 34a_200000718107_100012180447 [0,2,0,0,0,0|2,0,0]=4 13672 B10R0.18 CC(CO)OC(C)CCCCl 7a_200000718107_100012180447 [0,2,0,0,0,0|2,0,0]=4 13673 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [0,2,0,0,0,0|1,0,1]=4 13674 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,2,0,0,0,0|1,0,1]=4 13675 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,2,0,0,0,0|0,0,1]=3 13676 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,2,0,0,0,0|1,0,1]=4 13677 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,2,0,0,0,0|1,0,1]=4 13678 B10R0.18 CCC(C)CC(C)NCCF 2230a_100000763565_100011217306 [0,2,0,0,0,0|2,0,0]=4 13679 B10R0.18 CCC(C)CC(C)NCCO 2230a_100000763565_100000211926 [0,2,0,0,0,0|1,0,0]=3 13680 B10R0.18 CCC(C)CC(C)NCCO 270004a_100000210304_100011710205 [0,2,0,0,0,0|1,0,0]=3 13681 B10R0.18 CCC(C)CN(C)CCCF 2230a_100000753921_100011934791 [0,2,0,0,0,0|2,0,0]=4 13682 B10R0.18 CCC(C)CN(C)CCCF 269982a_100000753921_100011934791 [0,2,0,0,0,0|2,0,0]=4 13683 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000213112_100000748023 [0,2,0,0,0,0|1,0,0]=3 13684 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000753921_100000230001 [0,2,0,0,0,0|1,0,0]=3 13685 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000213112_100000748023 [0,2,0,0,0,0|1,0,0]=3 13686 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000753921_100011215043 [0,2,0,0,0,0|1,0,0]=3 13687 B10R0.18 CCC(C)CN(C)CCCO 270004a_100000213112_100000243153 [0,2,0,0,0,0|1,0,0]=3 13688 B10R0.18 CCC(C)OC(C)CCCCl 34a_200000718107_100011215416 [0,2,0,0,0,0|2,0,0]=4 13689 B10R0.18 CCC(C)OC(C)CCCCl 7a_200000718107_100000758301 [0,2,0,0,0,0|2,0,0]=4 13690 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|1,0,1]=4 13691 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|0,0,1]=3 13692 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,2,0,0,0,0|1,0,1]=4 13693 B10R0.18 CCC(O)CN(C)CCCO 2230a_100000213112_100011218378 [0,2,0,0,0,0|1,0,0]=3 13694 B10R0.18 CCC(O)CN(C)CCCO 269982a_100000213112_100011218378 [0,2,0,0,0,0|1,0,0]=3 13695 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|1,0,1]=4 13696 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|1,0,1]=4 13697 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|1,0,1]=4 13698 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|1,0,1]=4 13699 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|1,0,1]=4 13700 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|0,0,1]=3 13701 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,2,0,0,0,0|1,0,1]=4 13702 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,2,0,0,0,0|1,0,1]=4 13703 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|1,0,1]=4 13704 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|1,0,1]=4 13705 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [0,2,0,0,0,0|2,0,0]=4 13706 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [0,2,0,0,0,0|2,0,0]=4 13707 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [0,2,0,0,0,0|2,0,0]=4 13708 B10R0.18 CCCCC(C)NC(C)CO 2230a_100000126638_100012180447 [0,2,0,0,0,0|1,0,0]=3 13709 B10R0.18 CCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210087 [0,2,0,0,0,0|2,0,0]=4 13710 B10R0.18 CCCCC(C)N[C@H](C)CO 2230a_100000737577_200011215066 [0,2,0,0,0,0|1,0,0]=3 13711 B10R0.18 CCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210087 [0,2,0,0,0,0|1,0,0]=3 13712 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,2,0,0,0,0|2,0,0]=4 13713 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,2,0,0,0,0|2,0,0]=4 13714 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,2,0,0,0,0|2,0,0]=4 13715 B10R0.18 CCCCC(C)OC(C)CF 34a_100016041109_200011215066 [0,2,0,0,0,0|2,0,0]=4 13716 B10R0.18 CCCCC(C)OC(C)CF 7a_100016041109_200011215066 [0,2,0,0,0,0|2,0,0]=4 13717 B10R0.18 CCCCC(C)OC(C)CN 34a_100000210904_200011215066 [0,2,0,0,0,0|2,0,0]=4 13718 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,2,0,0,0,0|1,0,0]=3 13719 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,2,0,0,0,0|1,0,0]=3 13720 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [0,2,0,0,0,0|2,0,0]=4 13721 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [0,2,0,0,0,0|2,0,0]=4 13722 B10R0.18 CCCCC(C)SC(C)CO 62a_100012180447_200011215066 [0,2,0,0,0,0|1,0,0]=3 13723 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_100016084084_200011215066 [0,2,0,0,0,0|1,0,0]=3 13724 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_200011215066_100016084084 [0,2,0,0,0,0|1,0,0]=3 13725 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,2,0,0,0,0|2,0,0]=4 13726 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,2,0,0,0,0|2,0,0]=4 13727 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,2,0,0,0,0|2,0,0]=4 13728 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,2,0,0,0,0|2,0,0]=4 13729 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,2,0,0,0,0|2,0,0]=4 13730 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,2,0,0,0,0|2,0,0]=4 13731 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,2,0,0,0,0|2,0,0]=4 13732 B10R0.18 CCCCN(C)CC(O)CO 2230a_100000207549_100011219619 [0,2,0,0,0,0|1,0,0]=3 13733 B10R0.18 CCCCN(C)CC(O)CO 2230a_100011216503_100000210211 [0,2,0,0,0,0|1,0,0]=3 13734 B10R0.18 CCCCN(C)CC(O)CO 269982a_100011216503_100000210211 [0,2,0,0,0,0|1,0,0]=3 13735 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,2,0,0,0,0|2,0,0]=4 13736 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,2,0,0,0,0|2,0,0]=4 13737 B10R0.18 CCCCN(C)C[C@@H](C)CO 2230a_100000207549_100000059175 [0,2,0,0,0,0|1,0,0]=3 13738 B10R0.18 CCCCN(C)C[C@@H](C)CO 269982a_100000207549_100000059175 [0,2,0,0,0,0|1,0,0]=3 13739 B10R0.18 CCCCN(C)C[C@@H](O)CF 2230a_100000207549_100015614560 [0,2,0,0,0,0|2,0,0]=4 13740 B10R0.18 CCCCN(C)C[C@@H](O)CO 2230a_100000207549_100009815848 [0,2,0,0,0,0|1,0,0]=3 13741 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [0,2,0,0,0,0|2,0,0]=4 13742 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [0,2,0,0,0,0|2,0,0]=4 13743 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [0,2,0,0,0,0|1,0,1]=4 13744 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|1,0,1]=4 13745 B10R0.18 CCOCC(C)OC(C)CO 34a_100000718985_100012180447 [0,2,0,0,0,0|2,0,0]=4 13746 B10R0.18 CCOCC(C)OC(C)CO 7a_100000718985_100012180447 [0,2,0,0,0,0|2,0,0]=4 13747 B10R0.18 CCOCN(C)CC(O)CO 269982a_100011216503_100000739092 [0,2,0,0,0,0|2,0,0]=4 13748 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,2,0,0,0,0|1,0,1]=4 13749 B10R0.18 CCSCC(C)N[C@H](C)CO 270004a_100000737577_200011216171 [0,2,0,0,0,0|2,0,0]=4 13750 B10R0.18 CC[C@H](C)CN(C)CCCO 2230a_100000213112_100009816398 [0,2,0,0,0,0|1,0,0]=3 13751 B10R0.18 CC[C@H](C)CN(C)CCCO 269982a_100000213112_100009816398 [0,2,0,0,0,0|1,0,0]=3 13752 B10R0.18 CN(CCCF)CC(O)CO 2230a_100011216503_100011934791 [0,2,0,0,0,0|2,0,0]=4 13753 B10R0.18 CN(CCCF)CC(O)CO 269982a_100011216503_100011934791 [0,2,0,0,0,0|2,0,0]=4 13754 B10R0.18 CN(CCCO)CC(O)CO 2230a_100000213112_100011219619 [0,2,0,0,0,0|2,0,0]=4 13755 B10R0.18 CN(CCCO)CC(O)CO 2230a_100011216503_100000230001 [0,2,0,0,0,0|2,0,0]=4 13756 B10R0.18 CN(CCCO)CC(O)CO 269982a_100011216503_100011215043 [0,2,0,0,0,0|2,0,0]=4 13757 B10R0.18 CN(CCCO)C[C@@H](O)CF 2230a_100000213112_100015614560 [0,2,0,0,0,0|2,0,0]=4 13758 B10R0.18 CN(CCCO)C[C@@H](O)CO 2230a_100000213112_100009815848 [0,2,0,0,0,0|2,0,0]=4 13759 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,2,0,0,0,0|1,0,1]=4 13760 B10R0.18 COCCC(C)N[C@H](C)CO 270004a_100000737577_100000742357 [0,2,0,0,0,0|2,0,0]=4 13761 B10R0.18 COCCN(C)CC(O)CO 2230a_100000743101_100011219619 [0,2,0,0,0,0|2,0,0]=4 13762 B10R0.18 COCCN(C)CC(O)CO 2230a_100011216503_100011201679 [0,2,0,0,0,0|2,0,0]=4 13763 B10R0.18 COCCN(C)CC(O)CO 269982a_100011216503_100000233755 [0,2,0,0,0,0|2,0,0]=4 13764 B10R0.18 COCCN(C)C[C@@H](C)CO 2230a_100000743101_100000059175 [0,2,0,0,0,0|2,0,0]=4 13765 B10R0.18 COCCN(C)C[C@@H](C)CO 269982a_100000743101_100000059175 [0,2,0,0,0,0|2,0,0]=4 13766 B10R0.18 COCCN(C)C[C@@H](O)CO 2230a_100000743101_100009815848 [0,2,0,0,0,0|2,0,0]=4 13767 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,2,0,0,0,0|1,0,1]=4 13768 B10R0.18 CSCCC(C)N[C@H](C)CO 270004a_100000737577_100011217047 [0,2,0,0,0,0|2,0,0]=4 13769 B10R0.18 CSCCN(C)CC(O)CO 2230a_100000686725_100011219619 [0,2,0,0,0,0|2,0,0]=4 13770 B10R0.18 CSCCN(C)CC(O)CO 2230a_100011216503_100000751147 [0,2,0,0,0,0|2,0,0]=4 13771 B10R0.18 CSCCN(C)CC(O)CO 269982a_100011216503_100000212216 [0,2,0,0,0,0|2,0,0]=4 13772 B10R0.18 CSCCN(C)C[C@@H](C)CO 2230a_100000686725_100000059175 [0,2,0,0,0,0|2,0,0]=4 13773 B10R0.18 CSCCN(C)C[C@@H](C)CO 269982a_100000686725_100000059175 [0,2,0,0,0,0|2,0,0]=4 13774 B10R0.18 CSCCN(C)C[C@@H](O)CO 2230a_100000686725_100009815848 [0,2,0,0,0,0|2,0,0]=4 13775 B10R0.18 C[C@@H](CO)CN(C)CCCO 2230a_100000213112_100000059175 [0,2,0,0,0,0|2,0,0]=4 13776 B10R0.18 C[C@@H](CO)CN(C)CCCO 269982a_100000213112_100000059175 [0,2,0,0,0,0|2,0,0]=4 13777 B10R0.116 CC(C)(CCCBr)OCCO 7a_100009888830_100000211926 [0,2,0,0,0,0|2,0,0]=4 13778 B10R0.116 CCCCC(C)(C)COCC 7a_200011995781_100000210202 [0,2,0,0,0,0|2,0,0]=4 13779 B10R0.116 CCCCC(C)(C)COCF 7a_200011995781_100015361967 [0,2,0,0,0,0|2,0,0]=4 13780 B10R0.116 CCCCC(C)(C)OCCC 7a_100011219641_100000210303 [0,2,0,0,0,0|2,0,0]=4 13781 B10R0.116 CCCCC(C)(C)OCCF 7a_100011219641_100011217306 [0,2,0,0,0,0|2,0,0]=4 13782 B10R0.116 CCCCC(C)(C)OCCO 7a_100011219641_100000211926 [0,2,0,0,0,0|1,0,0]=3 13783 B10R0.116 CCCCS(=O)(=O)NCCO 270084a_100000210304_100000212082 [0,2,0,0,0,0|2,0,0]=4 13784 B10R0.116 CCCCS(=O)(=O)NCCO 274078a_100000210304_100000212082 [0,2,0,0,0,0|2,0,0]=4 13785 B10R0.116 CCCCS(=O)(=O)NCCO 40a_100000210304_100000054263 [0,2,0,0,0,0|2,0,0]=4 13786 B10R0.116 CCCOC(C)(C)CCCBr 7a_100009888830_100000210303 [0,2,0,0,0,0|2,0,0]=4 13787 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,2,0,0,0,0|1,0,0]=3 13788 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,2,0,0,0,0|1,0,0]=3 13789 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,2,0,0,0,0|1,0,0]=3 13790 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,2,0,0,0,0|0,0,1]=3 13791 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,2,0,0,0,0|0,0,1]=3 13792 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,2,0,0,0,0|0,0,1]=3 13793 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,2,0,0,0,0|0,0,1]=3 13794 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,2,0,0,0,0|0,0,1]=3 13795 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,2,0,0,0,0|1,0,0]=3 13796 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,2,0,0,0,0|1,0,0]=3 13797 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,2,0,0,0,0|1,0,0]=3 13798 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,2,0,0,0,0|1,0,0]=3 13799 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,2,0,0,0,0|1,0,0]=3 13800 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,2,0,0,0,0|1,0,0]=3 13801 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,2,0,0,0,0|1,0,0]=3 13802 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,2,0,0,0,0|1,0,0]=3 13803 B10R0.71 C#CCCCCCCOCF 34a_100011217361_100015361967 [0,2,0,0,0,0|0,0,2]=4 13804 B10R0.71 C#CCCCCCCOCF 7a_100011217361_100015361967 [0,2,0,0,0,0|0,0,2]=4 13805 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,2,0,0,0,0|1,0,0]=3 13806 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,2,0,0,0,0|1,0,0]=3 13807 B10R0.71 C#CCCCCCCSCF 62a_100012276617_100015361967 [0,2,0,0,0,0|1,0,1]=4 13808 B10R0.71 C#CCCCCCCSCF 62a_100015361967_100012276617 [0,2,0,0,0,0|1,0,1]=4 13809 B10R0.71 C#CCCCCCNCCF 34a_100000724931_100012094781 [0,2,0,0,0,0|1,0,1]=4 13810 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,2,0,0,0,0|0,0,1]=3 13811 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,2,0,0,0,0|0,0,1]=3 13812 B10R0.71 C#CCCCCCOCCBr 34a_100000211926_100012094781 [0,2,0,0,0,0|1,0,1]=4 13813 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,2,0,0,0,0|1,0,0]=3 13814 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,2,0,0,0,0|1,0,0]=3 13815 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,2,0,0,0,0|1,0,0]=3 13816 B10R0.71 C#CCCCCCOCCF 34a_100000766912_100011217306 [0,2,0,0,0,0|1,0,1]=4 13817 B10R0.71 C#CCCCCCOCCF 7a_100000766912_100011217306 [0,2,0,0,0,0|1,0,1]=4 13818 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [0,2,0,0,0,0|1,0,1]=4 13819 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,2,0,0,0,0|0,0,1]=3 13820 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,2,0,0,0,0|0,0,1]=3 13821 B10R0.71 C#CCCCCCOCSC 34a_100000766912_100011218213 [0,2,0,0,0,0|1,0,1]=4 13822 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,2,0,0,0,0|1,0,0]=3 13823 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,2,0,0,0,0|1,0,0]=3 13824 B10R0.71 C#CCCCCCSCCF 62a_100011217306_100012094781 [0,2,0,0,0,0|1,0,1]=4 13825 B10R0.71 C#CCCCCCSCCF 62a_100012094781_100011217306 [0,2,0,0,0,0|1,0,1]=4 13826 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,2,0,0,0,0|0,0,1]=3 13827 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,2,0,0,0,0|0,0,1]=3 13828 B10R0.71 C#CCCCCCSCOC 62a_100000766300_100012094781 [0,2,0,0,0,0|0,0,2]=4 13829 B10R0.71 C#CCCCCCSCOC 62a_100012094781_100000766300 [0,2,0,0,0,0|0,0,2]=4 13830 B10R0.71 C#CCCCCCSCSC 62a_100011218213_100012094781 [0,2,0,0,0,0|1,0,1]=4 13831 B10R0.71 C#CCCCCCSCSC 62a_100012094781_100011218213 [0,2,0,0,0,0|1,0,1]=4 13832 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,2,0,0,0,0|1,0,0]=3 13833 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,2,0,0,0,0|1,0,0]=3 13834 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,2,0,0,0,0|1,0,0]=3 13835 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,2,0,0,0,0|1,0,0]=3 13836 B10R0.71 C#CCCCCNCCCF 2230a_100000706060_100011934791 [0,2,0,0,0,0|1,0,1]=4 13837 B10R0.71 C#CCCCCNCCCF 2230a_100015189416_100010269958 [0,2,0,0,0,0|1,0,1]=4 13838 B10R0.71 C#CCCCCNCCCF 34a_100000706060_100011934791 [0,2,0,0,0,0|1,0,1]=4 13839 B10R0.71 C#CCCCCNCCCF 34a_100015189416_100010269958 [0,2,0,0,0,0|1,0,1]=4 13840 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,2,0,0,0,0|0,0,1]=3 13841 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,2,0,0,0,0|0,0,1]=3 13842 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,2,0,0,0,0|0,0,2]=4 13843 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,2,0,0,0,0|0,0,2]=4 13844 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,2,0,0,0,0|0,0,2]=4 13845 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,2,0,0,0,0|1,0,1]=4 13846 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,2,0,0,0,0|1,0,1]=4 13847 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,2,0,0,0,0|1,0,1]=4 13848 B10R0.71 C#CCCCCOCCCBr 34a_100011217188_100010269958 [0,2,0,0,0,0|1,0,1]=4 13849 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,2,0,0,0,0|1,0,0]=3 13850 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,2,0,0,0,0|1,0,0]=3 13851 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,2,0,0,0,0|1,0,0]=3 13852 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,2,0,0,0,0|1,0,0]=3 13853 B10R0.71 C#CCCCCOCCCCl 34a_100000230001_100010269958 [0,2,0,0,0,0|1,0,1]=4 13854 B10R0.71 C#CCCCCOCCCF 34a_100000759539_100010269958 [0,2,0,0,0,0|1,0,1]=4 13855 B10R0.71 C#CCCCCOCCCF 34a_100000766709_100011934791 [0,2,0,0,0,0|1,0,1]=4 13856 B10R0.71 C#CCCCCOCCCF 7a_100000766709_100011934791 [0,2,0,0,0,0|1,0,1]=4 13857 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [0,2,0,0,0,0|1,0,1]=4 13858 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,2,0,0,0,0|0,0,1]=3 13859 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,2,0,0,0,0|0,0,1]=3 13860 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,2,0,0,0,0|0,0,2]=4 13861 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,2,0,0,0,0|0,0,2]=4 13862 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,2,0,0,0,0|0,0,2]=4 13863 B10R0.71 C#CCCCCOCCON 34a_100000700252_100010269958 [0,2,0,0,0,0|0,0,2]=4 13864 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,2,0,0,0,0|1,0,1]=4 13865 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,2,0,0,0,0|1,0,1]=4 13866 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,2,0,0,0,0|1,0,1]=4 13867 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,2,0,0,0,0|1,0,1]=4 13868 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,2,0,0,0,0|1,0,0]=3 13869 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,2,0,0,0,0|1,0,0]=3 13870 B10R0.71 C#CCCCCSCCCF 62a_100010269958_100011934791 [0,2,0,0,0,0|1,0,1]=4 13871 B10R0.71 C#CCCCCSCCCF 62a_100011934791_100010269958 [0,2,0,0,0,0|1,0,1]=4 13872 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,2,0,0,0,0|0,0,1]=3 13873 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,2,0,0,0,0|0,0,1]=3 13874 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,2,0,0,0,0|0,0,2]=4 13875 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,2,0,0,0,0|0,0,2]=4 13876 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,2,0,0,0,0|1,0,1]=4 13877 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,2,0,0,0,0|1,0,1]=4 13878 B10R0.71 C#CCCCCSCOCC 62a_100000739092_100010269958 [0,2,0,0,0,0|1,0,1]=4 13879 B10R0.71 C#CCCCCSCOCC 62a_100010269958_100000739092 [0,2,0,0,0,0|1,0,1]=4 13880 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,2,0,0,0,0|1,0,0]=3 13881 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,2,0,0,0,0|1,0,0]=3 13882 B10R0.71 C#CCCCNCCCCF 34a_100000718082_100000729493 [0,2,0,0,0,0|1,0,1]=4 13883 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [0,2,0,0,0,0|0,0,1]=3 13884 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [0,2,0,0,0,0|0,0,1]=3 13885 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [0,2,0,0,0,0|0,0,1]=3 13886 B10R0.71 C#CCCCNCCCOC 34a_100000718082_100000740836 [0,2,0,0,0,0|0,0,2]=4 13887 B10R0.71 C#CCCCNCCCOC 34a_100150723488_100000695029 [0,2,0,0,0,0|0,0,2]=4 13888 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,2,0,0,0,0|1,0,1]=4 13889 B10R0.71 C#CCCCNCCOCC 2230a_102516460346_100000731252 [0,2,0,0,0,0|1,0,1]=4 13890 B10R0.71 C#CCCCNCCOCC 34a_100000718082_100000210147 [0,2,0,0,0,0|1,0,1]=4 13891 B10R0.71 C#CCCCNCCOCC 34a_102516460346_100000695029 [0,2,0,0,0,0|1,0,1]=4 13892 B10R0.71 C#CCCCNCCSCC 2230a_100000106463_100000731252 [0,2,0,0,0,0|1,0,1]=4 13893 B10R0.71 C#CCCCNCCSCC 34a_100000718082_100000757381 [0,2,0,0,0,0|1,0,1]=4 13894 B10R0.71 C#CCCCOCCCCBr 34a_100011216708_100000695029 [0,2,0,0,0,0|1,0,1]=4 13895 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,2,0,0,0,0|1,0,0]=3 13896 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,2,0,0,0,0|1,0,0]=3 13897 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,2,0,0,0,0|1,0,0]=3 13898 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,2,0,0,0,0|1,0,0]=3 13899 B10R0.71 C#CCCCOCCCCCl 34a_100000210776_100000695029 [0,2,0,0,0,0|1,0,1]=4 13900 B10R0.71 C#CCCCOCCCCCl 7a_100000210776_100011215417 [0,2,0,0,0,0|1,0,1]=4 13901 B10R0.71 C#CCCCOCCCCF 34a_100000215630_100000729493 [0,2,0,0,0,0|1,0,1]=4 13902 B10R0.71 C#CCCCOCCCCF 34a_100011995726_100000695029 [0,2,0,0,0,0|1,0,1]=4 13903 B10R0.71 C#CCCCOCCCCF 7a_100000215630_100000729493 [0,2,0,0,0,0|1,0,1]=4 13904 B10R0.71 C#CCCCOCCCCF 7a_100011995726_100011215417 [0,2,0,0,0,0|1,0,1]=4 13905 B10R0.71 C#CCCCOCCCCI 34a_200012148704_100000695029 [0,2,0,0,0,0|1,0,1]=4 13906 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [0,2,0,0,0,0|1,0,1]=4 13907 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [0,2,0,0,0,0|0,0,1]=3 13908 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [0,2,0,0,0,0|0,0,1]=3 13909 B10R0.71 C#CCCCOCCCNC 34a_100000213112_100000695029 [0,2,0,0,0,0|1,0,1]=4 13910 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,2,0,0,0,0|0,0,2]=4 13911 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,2,0,0,0,0|0,0,2]=4 13912 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,2,0,0,0,0|0,0,2]=4 13913 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,2,0,0,0,0|1,0,1]=4 13914 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,2,0,0,0,0|1,0,1]=4 13915 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,2,0,0,0,0|1,0,1]=4 13916 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,2,0,0,0,0|1,0,1]=4 13917 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,2,0,0,0,0|1,0,1]=4 13918 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,2,0,0,0,0|1,0,1]=4 13919 B10R0.71 C#CCCCOCCSCC 34a_100000212035_100000695029 [0,2,0,0,0,0|1,0,1]=4 13920 B10R0.71 C#CCCCOCCSCC 34a_100000215630_100000757381 [0,2,0,0,0,0|1,0,1]=4 13921 B10R0.71 C#CCCCOCCSCC 7a_100000212035_100011215417 [0,2,0,0,0,0|1,0,1]=4 13922 B10R0.71 C#CCCCOCCSCC 7a_100000215630_100000757381 [0,2,0,0,0,0|1,0,1]=4 13923 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,2,0,0,0,0|1,0,0]=3 13924 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,2,0,0,0,0|1,0,0]=3 13925 B10R0.71 C#CCCCSCCCCF 62a_100000729493_100011215417 [0,2,0,0,0,0|1,0,1]=4 13926 B10R0.71 C#CCCCSCCCCF 62a_100011215417_100000729493 [0,2,0,0,0,0|1,0,1]=4 13927 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [0,2,0,0,0,0|0,0,1]=3 13928 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [0,2,0,0,0,0|0,0,1]=3 13929 B10R0.71 C#CCCCSCCCOC 62a_100000709357_100011215417 [0,2,0,0,0,0|0,0,2]=4 13930 B10R0.71 C#CCCCSCCCOC 62a_100011215417_100000709357 [0,2,0,0,0,0|0,0,2]=4 13931 B10R0.71 C#CCCCSCCOCC 62a_100000210147_100011215417 [0,2,0,0,0,0|1,0,1]=4 13932 B10R0.71 C#CCCCSCCOCC 62a_100011215417_100011215890 [0,2,0,0,0,0|1,0,1]=4 13933 B10R0.71 C#CCCCSCCSCC 62a_100000757381_100011215417 [0,2,0,0,0,0|1,0,1]=4 13934 B10R0.71 C#CCCCSCCSCC 62a_100011215417_100000757381 [0,2,0,0,0,0|1,0,1]=4 13935 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,2,0,0,0,0|1,0,0]=3 13936 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,2,0,0,0,0|1,0,0]=3 13937 B10R0.71 C#CCCNCCCCCF 34a_100000755551_100000729378 [0,2,0,0,0,0|1,0,1]=4 13938 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,2,0,0,0,0|0,0,1]=3 13939 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,2,0,0,0,0|0,0,1]=3 13940 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,2,0,0,0,0|0,0,1]=3 13941 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [0,2,0,0,0,0|0,0,2]=4 13942 B10R0.71 C#CCCNCCCOCC 2230a_100000210961_100000688953 [0,2,0,0,0,0|1,0,1]=4 13943 B10R0.71 C#CCCNCCCOCC 34a_100000210961_100000688953 [0,2,0,0,0,0|1,0,1]=4 13944 B10R0.71 C#CCCNCCCOCC 34a_100000755551_100012232248 [0,2,0,0,0,0|1,0,1]=4 13945 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,2,0,0,0,0|1,0,1]=4 13946 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,2,0,0,0,0|1,0,1]=4 13947 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,2,0,0,0,0|1,0,1]=4 13948 B10R0.71 C#CCCNCCOCCO 2230a_100000211614_100000688953 [0,2,0,0,0,0|0,0,2]=4 13949 B10R0.71 C#CCCNCCOCCO 34a_100000211614_100000688953 [0,2,0,0,0,0|0,0,2]=4 13950 B10R0.71 C#CCCNCCOCCO 34a_100000755551_100000692535 [0,2,0,0,0,0|0,0,2]=4 13951 B10R0.71 C#CCCNCCSCCC 2230a_100020603323_100000688953 [0,2,0,0,0,0|1,0,1]=4 13952 B10R0.71 C#CCCNCCSCCO 2230a_100011219999_100000688953 [0,2,0,0,0,0|0,0,2]=4 13953 B10R0.71 C#CCCNCOCCCC 34a_100000755551_100011995733 [0,2,0,0,0,0|1,0,1]=4 13954 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,2,0,0,0,0|1,0,1]=4 13955 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,2,0,0,0,0|1,0,1]=4 13956 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,2,0,0,0,0|1,0,0]=3 13957 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,2,0,0,0,0|1,0,0]=3 13958 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,2,0,0,0,0|1,0,0]=3 13959 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,2,0,0,0,0|1,0,1]=4 13960 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,2,0,0,0,0|1,0,1]=4 13961 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,2,0,0,0,0|1,0,1]=4 13962 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,2,0,0,0,0|1,0,1]=4 13963 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,2,0,0,0,0|1,0,1]=4 13964 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,2,0,0,0,0|1,0,1]=4 13965 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,2,0,0,0,0|0,0,1]=3 13966 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,2,0,0,0,0|0,0,2]=4 13967 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,2,0,0,0,0|0,0,2]=4 13968 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,2,0,0,0,0|1,0,1]=4 13969 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,2,0,0,0,0|1,0,1]=4 13970 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,2,0,0,0,0|1,0,1]=4 13971 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,2,0,0,0,0|1,0,1]=4 13972 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,2,0,0,0,0|1,0,1]=4 13973 B10R0.71 C#CCCOCCCSCC 34a_100011216438_100000688953 [0,2,0,0,0,0|1,0,1]=4 13974 B10R0.71 C#CCCOCCCSCC 7a_100011216438_100000688953 [0,2,0,0,0,0|1,0,1]=4 13975 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,2,0,0,0,0|1,0,1]=4 13976 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,2,0,0,0,0|1,0,1]=4 13977 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,2,0,0,0,0|1,0,1]=4 13978 B10R0.71 C#CCCOCCOCCO 34a_100011215631_100000692535 [0,2,0,0,0,0|0,0,2]=4 13979 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,2,0,0,0,0|1,0,1]=4 13980 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,2,0,0,0,0|1,0,1]=4 13981 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [0,2,0,0,0,0|1,0,1]=4 13982 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,2,0,0,0,0|1,0,0]=3 13983 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,2,0,0,0,0|1,0,0]=3 13984 B10R0.71 C#CCCSCCCCCF 62a_100000688953_100000729378 [0,2,0,0,0,0|1,0,1]=4 13985 B10R0.71 C#CCCSCCCCCF 62a_100000729378_100000688953 [0,2,0,0,0,0|1,0,1]=4 13986 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,2,0,0,0,0|0,0,1]=3 13987 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,2,0,0,0,0|0,0,1]=3 13988 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [0,2,0,0,0,0|0,0,2]=4 13989 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [0,2,0,0,0,0|0,0,2]=4 13990 B10R0.71 C#CCCSCCCOCC 62a_100000688953_100012232248 [0,2,0,0,0,0|1,0,1]=4 13991 B10R0.71 C#CCCSCCCOCC 62a_100012232248_100000688953 [0,2,0,0,0,0|1,0,1]=4 13992 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,2,0,0,0,0|1,0,1]=4 13993 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,2,0,0,0,0|1,0,1]=4 13994 B10R0.71 C#CCCSCCOCCO 62a_100000688953_100011215305 [0,2,0,0,0,0|0,0,2]=4 13995 B10R0.71 C#CCCSCCOCCO 62a_100011215305_100000688953 [0,2,0,0,0,0|0,0,2]=4 13996 B10R0.71 C#CCCSCOCCCC 62a_100000688953_100011995733 [0,2,0,0,0,0|1,0,1]=4 13997 B10R0.71 C#CCCSCOCCCC 62a_100011995733_100000688953 [0,2,0,0,0,0|1,0,1]=4 13998 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,2,0,0,0,0|1,0,0]=3 13999 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,2,0,0,0,0|1,0,0]=3 14000 B10R0.71 C#CCNCCCCCCF 34a_100000212058_100015922095 [0,2,0,0,0,0|1,0,1]=4 14001 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,2,0,0,0,0|0,0,1]=3 14002 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,2,0,0,0,0|0,0,1]=3 14003 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,2,0,0,0,0|0,0,1]=3 14004 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,2,0,0,0,0|0,0,2]=4 14005 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,2,0,0,0,0|0,0,2]=4 14006 B10R0.71 C#CCNCCCOCCC 2230a_100011217757_100000038162 [0,2,0,0,0,0|1,0,1]=4 14007 B10R0.71 C#CCNCCCOCCC 34a_100011217757_100000184674 [0,2,0,0,0,0|1,0,1]=4 14008 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,2,0,0,0,0|1,0,1]=4 14009 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,2,0,0,0,0|1,0,1]=4 14010 B10R0.71 C#CCOCCCCCCBr 34a_100011215345_100000184674 [0,2,0,0,0,0|1,0,1]=4 14011 B10R0.71 C#CCOCCCCCCBr 7a_100011215345_100000038162 [0,2,0,0,0,0|1,0,1]=4 14012 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,2,0,0,0,0|1,0,0]=3 14013 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,2,0,0,0,0|1,0,0]=3 14014 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,2,0,0,0,0|1,0,0]=3 14015 B10R0.71 C#CCOCCCCCCCl 34a_100000766143_100000184674 [0,2,0,0,0,0|1,0,1]=4 14016 B10R0.71 C#CCOCCCCCCCl 7a_100000766143_100000038162 [0,2,0,0,0,0|1,0,1]=4 14017 B10R0.71 C#CCOCCCCCCF 34a_100000210247_100015922095 [0,2,0,0,0,0|1,0,1]=4 14018 B10R0.71 C#CCOCCCCCCF 34a_100000732779_100000184674 [0,2,0,0,0,0|1,0,1]=4 14019 B10R0.71 C#CCOCCCCCCF 7a_100000732779_100000038162 [0,2,0,0,0,0|1,0,1]=4 14020 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [0,2,0,0,0,0|1,0,1]=4 14021 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,2,0,0,0,0|0,0,1]=3 14022 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,2,0,0,0,0|1,0,1]=4 14023 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,2,0,0,0,0|1,0,1]=4 14024 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,2,0,0,0,0|1,0,1]=4 14025 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,2,0,0,0,0|1,0,1]=4 14026 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,2,0,0,0,0|1,0,1]=4 14027 B10R0.71 C#CCOCCNCCCO 2230a_100000700922_100000230001 [0,2,0,0,0,0|0,0,2]=4 14028 B10R0.71 C#CCOCCNCCCO 34a_100000700922_100000230001 [0,2,0,0,0,0|0,0,2]=4 14029 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,2,0,0,0,0|1,0,1]=4 14030 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,2,0,0,0,0|1,0,1]=4 14031 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,2,0,0,0,0|1,0,1]=4 14032 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,2,0,0,0,0|1,0,1]=4 14033 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,2,0,0,0,0|1,0,1]=4 14034 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,2,0,0,0,0|1,0,1]=4 14035 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,2,0,0,0,0|1,0,1]=4 14036 B10R0.71 C#CCOCCOCCCO 34a_100000054580_100000230001 [0,2,0,0,0,0|0,0,2]=4 14037 B10R0.71 C#CCOCCOCCCO 7a_100000054580_100011215043 [0,2,0,0,0,0|0,0,2]=4 14038 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,2,0,0,0,0|1,0,1]=4 14039 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,2,0,0,0,0|1,0,1]=4 14040 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,2,0,0,0,0|1,0,1]=4 14041 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,2,0,0,0,0|1,0,1]=4 14042 B10R0.71 C#CCOCCSCCCO 62a_100010402529_100011215043 [0,2,0,0,0,0|0,0,2]=4 14043 B10R0.71 C#CCOCCSCCCO 62a_100011215043_100010402529 [0,2,0,0,0,0|0,0,2]=4 14044 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,2,0,0,0,0|1,0,0]=3 14045 B10R0.71 C#CCSCCCCCCF 62a_100000038162_100015922095 [0,2,0,0,0,0|1,0,1]=4 14046 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [0,2,0,0,0,0|0,0,1]=3 14047 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,2,0,0,0,0|1,0,1]=4 14048 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,2,0,0,0,0|1,0,1]=4 14049 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,2,0,0,0,0|1,0,1]=4 14050 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,2,0,0,0,0|0,0,1]=3 14051 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,2,0,0,0,0|0,0,2]=4 14052 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,2,0,0,0,0|0,0,1]=3 14053 B10R0.71 C/C=C/CNCCOCCO 34a_100000211614_100102629194 [0,2,0,0,0,0|0,0,2]=4 14054 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,2,0,0,0,0|1,0,1]=4 14055 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,2,0,0,0,0|1,0,1]=4 14056 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,2,0,0,0,0|1,0,1]=4 14057 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,2,0,0,0,0|1,0,1]=4 14058 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,2,0,0,0,0|1,0,1]=4 14059 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,2,0,0,0,0|1,0,1]=4 14060 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,2,0,0,0,0|1,0,1]=4 14061 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,2,0,0,0,0|1,0,1]=4 14062 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,2,0,0,0,0|1,0,1]=4 14063 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,2,0,0,0,0|1,0,1]=4 14064 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,2,0,0,0,0|1,0,1]=4 14065 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,2,0,0,0,0|0,0,1]=3 14066 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,2,0,0,0,0|0,0,2]=4 14067 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,2,0,0,0,0|0,0,2]=4 14068 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [0,2,0,0,0,0|0,0,2]=4 14069 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,2,0,0,0,0|1,0,1]=4 14070 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,2,0,0,0,0|1,0,1]=4 14071 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,2,0,0,0,0|1,0,1]=4 14072 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,2,0,0,0,0|1,0,1]=4 14073 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,2,0,0,0,0|0,0,1]=3 14074 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,2,0,0,0,0|0,0,1]=3 14075 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,2,0,0,0,0|0,0,2]=4 14076 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,2,0,0,0,0|0,0,2]=4 14077 B10R0.71 C/C=C/CSCCOCCO 62a_100011215305_100102629194 [0,2,0,0,0,0|0,0,2]=4 14078 B10R0.71 C/C=C/CSCCOCCO 62a_100102629194_100011215305 [0,2,0,0,0,0|0,0,2]=4 14079 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,2,0,0,0,0|1,0,0]=3 14080 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,2,0,0,0,0|1,0,0]=3 14081 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,2,0,0,0,0|1,0,0]=3 14082 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,2,0,0,0,0|0,0,1]=3 14083 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,2,0,0,0,0|0,0,1]=3 14084 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,2,0,0,0,0|0,0,1]=3 14085 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,2,0,0,0,0|0,0,1]=3 14086 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,2,0,0,0,0|0,0,1]=3 14087 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,2,0,0,0,0|1,0,0]=3 14088 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,2,0,0,0,0|1,0,0]=3 14089 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,2,0,0,0,0|1,0,0]=3 14090 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,2,0,0,0,0|1,0,0]=3 14091 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,2,0,0,0,0|1,0,0]=3 14092 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,2,0,0,0,0|1,0,0]=3 14093 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,2,0,0,0,0|1,0,0]=3 14094 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,2,0,0,0,0|1,0,0]=3 14095 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,2,0,0,0,0|0,0,2]=4 14096 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,2,0,0,0,0|0,0,2]=4 14097 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,2,0,0,0,0|1,0,0]=3 14098 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,2,0,0,0,0|1,0,0]=3 14099 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,2,0,0,0,0|1,0,1]=4 14100 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,2,0,0,0,0|1,0,1]=4 14101 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,2,0,0,0,0|1,0,1]=4 14102 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,2,0,0,0,0|0,0,1]=3 14103 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,2,0,0,0,0|0,0,1]=3 14104 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,2,0,0,0,0|1,0,1]=4 14105 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,2,0,0,0,0|1,0,0]=3 14106 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,2,0,0,0,0|1,0,0]=3 14107 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,2,0,0,0,0|1,0,0]=3 14108 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,2,0,0,0,0|1,0,1]=4 14109 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,2,0,0,0,0|1,0,1]=4 14110 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,2,0,0,0,0|1,0,1]=4 14111 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,2,0,0,0,0|0,0,1]=3 14112 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,2,0,0,0,0|0,0,1]=3 14113 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,2,0,0,0,0|1,0,1]=4 14114 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,2,0,0,0,0|1,0,0]=3 14115 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,2,0,0,0,0|1,0,0]=3 14116 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,2,0,0,0,0|1,0,1]=4 14117 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,2,0,0,0,0|1,0,1]=4 14118 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,2,0,0,0,0|0,0,1]=3 14119 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,2,0,0,0,0|0,0,1]=3 14120 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,2,0,0,0,0|0,0,2]=4 14121 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,2,0,0,0,0|0,0,2]=4 14122 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,2,0,0,0,0|1,0,1]=4 14123 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,2,0,0,0,0|1,0,1]=4 14124 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,2,0,0,0,0|1,0,0]=3 14125 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,2,0,0,0,0|1,0,0]=3 14126 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,2,0,0,0,0|1,0,0]=3 14127 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,2,0,0,0,0|1,0,0]=3 14128 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,2,0,0,0,0|1,0,1]=4 14129 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,2,0,0,0,0|1,0,1]=4 14130 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,2,0,0,0,0|1,0,1]=4 14131 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,2,0,0,0,0|1,0,1]=4 14132 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,2,0,0,0,0|0,0,1]=3 14133 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,2,0,0,0,0|0,0,1]=3 14134 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,2,0,0,0,0|0,0,2]=4 14135 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,2,0,0,0,0|0,0,2]=4 14136 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,2,0,0,0,0|0,0,2]=4 14137 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,2,0,0,0,0|1,0,1]=4 14138 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,2,0,0,0,0|1,0,1]=4 14139 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,2,0,0,0,0|1,0,1]=4 14140 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,2,0,0,0,0|1,0,1]=4 14141 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,2,0,0,0,0|1,0,0]=3 14142 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,2,0,0,0,0|1,0,0]=3 14143 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,2,0,0,0,0|1,0,0]=3 14144 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,2,0,0,0,0|1,0,0]=3 14145 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,2,0,0,0,0|1,0,1]=4 14146 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,2,0,0,0,0|1,0,1]=4 14147 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,2,0,0,0,0|1,0,1]=4 14148 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,2,0,0,0,0|1,0,1]=4 14149 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,2,0,0,0,0|1,0,1]=4 14150 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,2,0,0,0,0|0,0,1]=3 14151 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,2,0,0,0,0|0,0,1]=3 14152 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,2,0,0,0,0|0,0,2]=4 14153 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,2,0,0,0,0|0,0,2]=4 14154 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,2,0,0,0,0|0,0,2]=4 14155 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,2,0,0,0,0|0,0,2]=4 14156 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,2,0,0,0,0|1,0,1]=4 14157 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,2,0,0,0,0|1,0,1]=4 14158 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,2,0,0,0,0|1,0,1]=4 14159 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,2,0,0,0,0|1,0,1]=4 14160 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,2,0,0,0,0|1,0,0]=3 14161 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,2,0,0,0,0|1,0,0]=3 14162 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,2,0,0,0,0|1,0,1]=4 14163 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,2,0,0,0,0|1,0,1]=4 14164 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,2,0,0,0,0|0,0,1]=3 14165 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,2,0,0,0,0|0,0,1]=3 14166 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,2,0,0,0,0|0,0,2]=4 14167 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,2,0,0,0,0|0,0,2]=4 14168 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,2,0,0,0,0|1,0,1]=4 14169 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,2,0,0,0,0|1,0,1]=4 14170 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,2,0,0,0,0|1,0,1]=4 14171 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,2,0,0,0,0|1,0,1]=4 14172 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,2,0,0,0,0|1,0,0]=3 14173 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,2,0,0,0,0|1,0,0]=3 14174 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,2,0,0,0,0|1,0,0]=3 14175 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,2,0,0,0,0|1,0,1]=4 14176 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,2,0,0,0,0|1,0,1]=4 14177 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,2,0,0,0,0|0,0,1]=3 14178 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,2,0,0,0,0|0,0,1]=3 14179 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,2,0,0,0,0|0,0,1]=3 14180 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,2,0,0,0,0|0,0,1]=3 14181 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,2,0,0,0,0|0,0,2]=4 14182 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,2,0,0,0,0|0,0,2]=4 14183 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,2,0,0,0,0|0,0,2]=4 14184 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,2,0,0,0,0|1,0,1]=4 14185 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,2,0,0,0,0|1,0,1]=4 14186 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,2,0,0,0,0|1,0,1]=4 14187 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,2,0,0,0,0|1,0,1]=4 14188 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,2,0,0,0,0|1,0,1]=4 14189 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,2,0,0,0,0|1,0,1]=4 14190 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,2,0,0,0,0|1,0,1]=4 14191 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,2,0,0,0,0|1,0,1]=4 14192 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,2,0,0,0,0|1,0,1]=4 14193 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,2,0,0,0,0|1,0,0]=3 14194 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,2,0,0,0,0|1,0,0]=3 14195 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,2,0,0,0,0|1,0,0]=3 14196 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,2,0,0,0,0|1,0,0]=3 14197 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,2,0,0,0,0|1,0,1]=4 14198 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,2,0,0,0,0|1,0,1]=4 14199 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,2,0,0,0,0|1,0,1]=4 14200 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,2,0,0,0,0|1,0,1]=4 14201 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,2,0,0,0,0|1,0,1]=4 14202 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,2,0,0,0,0|1,0,1]=4 14203 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,2,0,0,0,0|1,0,1]=4 14204 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,2,0,0,0,0|1,0,1]=4 14205 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,2,0,0,0,0|0,0,1]=3 14206 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,2,0,0,0,0|0,0,1]=3 14207 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,2,0,0,0,0|1,0,1]=4 14208 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,2,0,0,0,0|0,0,2]=4 14209 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,2,0,0,0,0|0,0,2]=4 14210 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,2,0,0,0,0|0,0,2]=4 14211 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,2,0,0,0,0|1,0,1]=4 14212 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,2,0,0,0,0|1,0,1]=4 14213 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,2,0,0,0,0|1,0,1]=4 14214 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,2,0,0,0,0|1,0,1]=4 14215 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,2,0,0,0,0|1,0,1]=4 14216 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,2,0,0,0,0|1,0,1]=4 14217 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,2,0,0,0,0|1,0,1]=4 14218 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,2,0,0,0,0|1,0,1]=4 14219 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,2,0,0,0,0|1,0,1]=4 14220 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,2,0,0,0,0|1,0,1]=4 14221 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,2,0,0,0,0|1,0,0]=3 14222 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,2,0,0,0,0|1,0,0]=3 14223 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,2,0,0,0,0|1,0,1]=4 14224 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,2,0,0,0,0|1,0,1]=4 14225 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,2,0,0,0,0|0,0,1]=3 14226 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,2,0,0,0,0|0,0,1]=3 14227 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,2,0,0,0,0|0,0,2]=4 14228 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,2,0,0,0,0|0,0,2]=4 14229 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,2,0,0,0,0|1,0,1]=4 14230 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,2,0,0,0,0|1,0,1]=4 14231 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,2,0,0,0,0|1,0,1]=4 14232 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,2,0,0,0,0|1,0,1]=4 14233 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,2,0,0,0,0|1,0,0]=3 14234 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,2,0,0,0,0|1,0,0]=3 14235 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,2,0,0,0,0|1,0,1]=4 14236 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,2,0,0,0,0|0,0,1]=3 14237 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,2,0,0,0,0|0,0,1]=3 14238 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,2,0,0,0,0|0,0,1]=3 14239 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,2,0,0,0,0|0,0,2]=4 14240 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,2,0,0,0,0|1,0,1]=4 14241 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,2,0,0,0,0|1,0,1]=4 14242 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,2,0,0,0,0|1,0,1]=4 14243 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,2,0,0,0,0|1,0,1]=4 14244 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,2,0,0,0,0|1,0,1]=4 14245 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,2,0,0,0,0|1,0,1]=4 14246 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [0,2,0,0,0,0|0,0,2]=4 14247 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [0,2,0,0,0,0|0,0,2]=4 14248 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [0,2,0,0,0,0|0,0,2]=4 14249 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,2,0,0,0,0|1,0,1]=4 14250 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [0,2,0,0,0,0|0,0,2]=4 14251 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,2,0,0,0,0|1,0,1]=4 14252 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,2,0,0,0,0|1,0,1]=4 14253 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,2,0,0,0,0|1,0,1]=4 14254 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,2,0,0,0,0|1,0,0]=3 14255 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,2,0,0,0,0|1,0,0]=3 14256 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,2,0,0,0,0|1,0,0]=3 14257 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,2,0,0,0,0|1,0,1]=4 14258 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,2,0,0,0,0|1,0,1]=4 14259 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,2,0,0,0,0|1,0,1]=4 14260 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,2,0,0,0,0|1,0,1]=4 14261 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,2,0,0,0,0|1,0,1]=4 14262 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,2,0,0,0,0|1,0,1]=4 14263 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,2,0,0,0,0|0,0,1]=3 14264 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,2,0,0,0,0|0,0,2]=4 14265 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,2,0,0,0,0|0,0,2]=4 14266 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,2,0,0,0,0|1,0,1]=4 14267 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,2,0,0,0,0|1,0,1]=4 14268 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,2,0,0,0,0|1,0,1]=4 14269 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,2,0,0,0,0|1,0,1]=4 14270 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,2,0,0,0,0|1,0,1]=4 14271 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,2,0,0,0,0|1,0,1]=4 14272 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,2,0,0,0,0|1,0,1]=4 14273 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,2,0,0,0,0|1,0,1]=4 14274 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,2,0,0,0,0|1,0,1]=4 14275 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,2,0,0,0,0|1,0,1]=4 14276 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,2,0,0,0,0|0,0,2]=4 14277 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,2,0,0,0,0|1,0,1]=4 14278 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,2,0,0,0,0|1,0,1]=4 14279 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,2,0,0,0,0|1,0,1]=4 14280 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,2,0,0,0,0|1,0,0]=3 14281 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,2,0,0,0,0|1,0,0]=3 14282 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,2,0,0,0,0|1,0,1]=4 14283 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,2,0,0,0,0|1,0,1]=4 14284 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,2,0,0,0,0|0,0,1]=3 14285 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,2,0,0,0,0|0,0,1]=3 14286 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,2,0,0,0,0|0,0,2]=4 14287 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,2,0,0,0,0|0,0,2]=4 14288 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,2,0,0,0,0|1,0,1]=4 14289 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,2,0,0,0,0|1,0,1]=4 14290 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,2,0,0,0,0|1,0,1]=4 14291 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,2,0,0,0,0|1,0,1]=4 14292 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [0,2,0,0,0,0|0,0,2]=4 14293 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [0,2,0,0,0,0|0,0,2]=4 14294 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,2,0,0,0,0|1,0,1]=4 14295 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,2,0,0,0,0|1,0,1]=4 14296 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,2,0,0,0,0|1,0,0]=3 14297 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,2,0,0,0,0|1,0,0]=3 14298 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,2,0,0,0,0|1,0,1]=4 14299 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,2,0,0,0,0|0,0,1]=3 14300 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,2,0,0,0,0|0,0,1]=3 14301 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,2,0,0,0,0|0,0,1]=3 14302 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,2,0,0,0,0|0,0,2]=4 14303 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,2,0,0,0,0|0,0,2]=4 14304 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,2,0,0,0,0|1,0,1]=4 14305 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,2,0,0,0,0|1,0,1]=4 14306 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,2,0,0,0,0|1,0,1]=4 14307 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,2,0,0,0,0|1,0,1]=4 14308 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,2,0,0,0,0|1,0,1]=4 14309 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,2,0,0,0,0|1,0,1]=4 14310 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,2,0,0,0,0|1,0,0]=3 14311 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,2,0,0,0,0|1,0,0]=3 14312 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,2,0,0,0,0|1,0,0]=3 14313 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,2,0,0,0,0|1,0,1]=4 14314 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,2,0,0,0,0|1,0,1]=4 14315 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,2,0,0,0,0|1,0,1]=4 14316 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,2,0,0,0,0|1,0,1]=4 14317 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,2,0,0,0,0|1,0,1]=4 14318 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,2,0,0,0,0|1,0,1]=4 14319 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,2,0,0,0,0|0,0,1]=3 14320 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,2,0,0,0,0|1,0,1]=4 14321 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,2,0,0,0,0|1,0,1]=4 14322 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,2,0,0,0,0|1,0,1]=4 14323 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,2,0,0,0,0|1,0,1]=4 14324 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,2,0,0,0,0|1,0,1]=4 14325 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,2,0,0,0,0|1,0,1]=4 14326 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,2,0,0,0,0|0,0,2]=4 14327 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,2,0,0,0,0|0,0,2]=4 14328 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,2,0,0,0,0|1,0,1]=4 14329 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,2,0,0,0,0|1,0,1]=4 14330 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,2,0,0,0,0|1,0,0]=3 14331 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,2,0,0,0,0|1,0,0]=3 14332 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,2,0,0,0,0|1,0,1]=4 14333 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,2,0,0,0,0|1,0,1]=4 14334 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,2,0,0,0,0|0,0,1]=3 14335 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,2,0,0,0,0|0,0,1]=3 14336 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,2,0,0,0,0|1,0,1]=4 14337 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,2,0,0,0,0|1,0,1]=4 14338 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,2,0,0,0,0|1,0,0]=3 14339 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,2,0,0,0,0|1,0,0]=3 14340 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [0,2,0,0,0,0|2,0,0]=4 14341 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [0,2,0,0,0,0|2,0,0]=4 14342 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,2,0,0,0,0|0,0,2]=4 14343 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,2,0,0,0,0|0,0,2]=4 14344 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,2,0,0,0,0|2,0,0]=4 14345 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,2,0,0,0,0|1,0,0]=3 14346 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,2,0,0,0,0|1,0,0]=3 14347 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [0,2,0,0,0,0|2,0,0]=4 14348 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [0,2,0,0,0,0|2,0,0]=4 14349 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,2,0,0,0,0|0,0,2]=4 14350 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,2,0,0,0,0|0,0,2]=4 14351 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,2,0,0,0,0|2,0,0]=4 14352 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,2,0,0,0,0|2,0,0]=4 14353 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,2,0,0,0,0|2,0,0]=4 14354 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,2,0,0,0,0|2,0,0]=4 14355 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,2,0,0,0,0|1,0,0]=3 14356 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,2,0,0,0,0|0,0,2]=4 14357 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,2,0,0,0,0|0,0,2]=4 14358 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,2,0,0,0,0|2,0,0]=4 14359 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,2,0,0,0,0|2,0,0]=4 14360 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,2,0,0,0,0|2,0,0]=4 14361 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,2,0,0,0,0|2,0,0]=4 14362 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [0,2,0,0,0,0|2,0,0]=4 14363 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,2,0,0,0,0|2,0,0]=4 14364 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,2,0,0,0,0|1,0,0]=3 14365 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,2,0,0,0,0|1,0,0]=3 14366 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,2,0,0,0,0|1,0,0]=3 14367 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,2,0,0,0,0|2,0,0]=4 14368 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,2,0,0,0,0|2,0,0]=4 14369 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,2,0,0,0,0|2,0,0]=4 14370 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,2,0,0,0,0|2,0,0]=4 14371 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,2,0,0,0,0|2,0,0]=4 14372 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,2,0,0,0,0|2,0,0]=4 14373 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,2,0,0,0,0|2,0,0]=4 14374 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,2,0,0,0,0|0,0,2]=4 14375 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,2,0,0,0,0|2,0,0]=4 14376 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,2,0,0,0,0|2,0,0]=4 14377 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,2,0,0,0,0|2,0,0]=4 14378 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,2,0,0,0,0|2,0,0]=4 14379 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,2,0,0,0,0|2,0,0]=4 14380 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,2,0,0,0,0|2,0,0]=4 14381 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,2,0,0,0,0|2,0,0]=4 14382 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,2,0,0,0,0|2,0,0]=4 14383 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,2,0,0,0,0|2,0,0]=4 14384 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,2,0,0,0,0|2,0,0]=4 14385 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,2,0,0,0,0|2,0,0]=4 14386 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,2,0,0,0,0|2,0,0]=4 14387 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,2,0,0,0,0|2,0,0]=4 14388 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,2,0,0,0,0|1,0,0]=3 14389 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,2,0,0,0,0|1,0,0]=3 14390 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [0,2,0,0,0,0|2,0,0]=4 14391 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [0,2,0,0,0,0|2,0,0]=4 14392 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,2,0,0,0,0|0,0,2]=4 14393 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,2,0,0,0,0|0,0,2]=4 14394 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,2,0,0,0,0|2,0,0]=4 14395 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,2,0,0,0,0|2,0,0]=4 14396 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,2,0,0,0,0|2,0,0]=4 14397 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,2,0,0,0,0|2,0,0]=4 14398 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [0,2,0,0,0,0|2,0,0]=4 14399 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [0,2,0,0,0,0|2,0,0]=4 14400 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,2,0,0,0,0|1,0,1]=4 14401 B10R0.71 CC#CCCOCCCCF 34a_100000750427_100000729493 [0,2,0,0,0,0|1,0,1]=4 14402 B10R0.71 CC#CCCOCCCCO 34a_100000750427_100011216708 [0,2,0,0,0,0|0,0,1]=3 14403 B10R0.71 CC#CCCOCCCOC 34a_100000750427_100000740836 [0,2,0,0,0,0|0,0,2]=4 14404 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,2,0,0,0,0|1,0,1]=4 14405 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,2,0,0,0,0|1,0,1]=4 14406 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,2,0,0,0,0|1,0,1]=4 14407 B10R0.71 CC#CCNCCCCCF 2230a_100000685387_100000729378 [0,2,0,0,0,0|1,0,1]=4 14408 B10R0.71 CC#CCNCCCCCF 34a_100000685387_100000729378 [0,2,0,0,0,0|1,0,1]=4 14409 B10R0.71 CC#CCNCCCCCO 2230a_100000685387_100000746330 [0,2,0,0,0,0|0,0,1]=3 14410 B10R0.71 CC#CCNCCCCCO 2230a_100000762737_100000748600 [0,2,0,0,0,0|0,0,1]=3 14411 B10R0.71 CC#CCNCCCCCO 34a_100000685387_100000746330 [0,2,0,0,0,0|0,0,1]=3 14412 B10R0.71 CC#CCNCCCCCO 34a_100000762737_100000748600 [0,2,0,0,0,0|0,0,1]=3 14413 B10R0.71 CC#CCNCCCCOC 2230a_100000685387_100000730899 [0,2,0,0,0,0|0,0,2]=4 14414 B10R0.71 CC#CCNCCCCOC 34a_100000685387_100000755781 [0,2,0,0,0,0|0,0,2]=4 14415 B10R0.71 CC#CCNCCOCCO 2230a_100000211614_100000748600 [0,2,0,0,0,0|0,0,2]=4 14416 B10R0.71 CC#CCNCCOCCO 2230a_100000685387_100011215305 [0,2,0,0,0,0|0,0,2]=4 14417 B10R0.71 CC#CCNCCOCCO 34a_100000211614_100000748600 [0,2,0,0,0,0|0,0,2]=4 14418 B10R0.71 CC#CCNCCOCCO 34a_100000685387_100000692535 [0,2,0,0,0,0|0,0,2]=4 14419 B10R0.71 CC#CCNCCSCCO 2230a_100011219999_100000748600 [0,2,0,0,0,0|0,0,2]=4 14420 B10R0.71 CC#CCOCCCCCBr 34a_100000746331_100000748600 [0,2,0,0,0,0|1,0,1]=4 14421 B10R0.71 CC#CCOCCCCCBr 7a_100000746331_100000748600 [0,2,0,0,0,0|1,0,1]=4 14422 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,2,0,0,0,0|1,0,1]=4 14423 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,2,0,0,0,0|1,0,1]=4 14424 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,2,0,0,0,0|1,0,1]=4 14425 B10R0.71 CC#CCOCCCCCCl 34a_100000746330_100000748600 [0,2,0,0,0,0|1,0,1]=4 14426 B10R0.71 CC#CCOCCCCCCl 7a_100000746330_100000748600 [0,2,0,0,0,0|1,0,1]=4 14427 B10R0.71 CC#CCOCCCCCF 34a_100000761923_100000729378 [0,2,0,0,0,0|1,0,1]=4 14428 B10R0.71 CC#CCOCCCCCI 34a_200012148887_100000748600 [0,2,0,0,0,0|1,0,1]=4 14429 B10R0.71 CC#CCOCCCCCI 7a_200012148887_100000748600 [0,2,0,0,0,0|1,0,1]=4 14430 B10R0.71 CC#CCOCCCCCN 34a_100000762737_100000748600 [0,2,0,0,0,0|1,0,1]=4 14431 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [0,2,0,0,0,0|0,0,1]=3 14432 B10R0.71 CC#CCOCCCCOC 34a_100000740925_100000748600 [0,2,0,0,0,0|0,0,2]=4 14433 B10R0.71 CC#CCOCCCCOC 34a_100000761923_100000755781 [0,2,0,0,0,0|0,0,2]=4 14434 B10R0.71 CC#CCOCCOCCO 34a_100000761923_100000692535 [0,2,0,0,0,0|0,0,2]=4 14435 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,2,0,0,0,0|1,0,1]=4 14436 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,2,0,0,0,0|1,0,1]=4 14437 B10R0.71 CC#CCSCCCCCF 62a_100000729378_100000748600 [0,2,0,0,0,0|1,0,1]=4 14438 B10R0.71 CC#CCSCCCCCF 62a_100000748600_100000729378 [0,2,0,0,0,0|1,0,1]=4 14439 B10R0.71 CC#CCSCCCCCO 62a_100000746330_100000748600 [0,2,0,0,0,0|0,0,1]=3 14440 B10R0.71 CC#CCSCCCCCO 62a_100000748600_100000746330 [0,2,0,0,0,0|0,0,1]=3 14441 B10R0.71 CC#CCSCCCCOC 62a_100000730899_100000748600 [0,2,0,0,0,0|0,0,2]=4 14442 B10R0.71 CC#CCSCCCCOC 62a_100000748600_100000730899 [0,2,0,0,0,0|0,0,2]=4 14443 B10R0.71 CC#CCSCCOCCO 62a_100000748600_100011215305 [0,2,0,0,0,0|0,0,2]=4 14444 B10R0.71 CC#CCSCCOCCO 62a_100011215305_100000748600 [0,2,0,0,0,0|0,0,2]=4 14445 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,2,0,0,0,0|1,0,1]=4 14446 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,2,0,0,0,0|1,0,1]=4 14447 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [0,2,0,0,0,0|1,0,1]=4 14448 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [0,2,0,0,0,0|1,0,1]=4 14449 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,2,0,0,0,0|0,0,1]=3 14450 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,2,0,0,0,0|0,0,1]=3 14451 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,2,0,0,0,0|1,0,1]=4 14452 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,2,0,0,0,0|0,0,1]=3 14453 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,2,0,0,0,0|0,0,1]=3 14454 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,2,0,0,0,0|0,0,1]=3 14455 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,2,0,0,0,0|0,0,1]=3 14456 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,2,0,0,0,0|0,0,2]=4 14457 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,2,0,0,0,0|0,0,2]=4 14458 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [0,2,0,0,0,0|0,0,2]=4 14459 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [0,2,0,0,0,0|0,0,2]=4 14460 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,2,0,0,0,0|1,0,1]=4 14461 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,2,0,0,0,0|1,0,1]=4 14462 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [0,2,0,0,0,0|1,0,1]=4 14463 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [0,2,0,0,0,0|1,0,1]=4 14464 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [0,2,0,0,0,0|0,0,2]=4 14465 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [0,2,0,0,0,0|1,0,1]=4 14466 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,2,0,0,0,0|1,0,1]=4 14467 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,2,0,0,0,0|1,0,1]=4 14468 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,2,0,0,0,0|1,0,1]=4 14469 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,2,0,0,0,0|1,0,1]=4 14470 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [0,2,0,0,0,0|1,0,1]=4 14471 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [0,2,0,0,0,0|1,0,1]=4 14472 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [0,2,0,0,0,0|1,0,1]=4 14473 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [0,2,0,0,0,0|1,0,1]=4 14474 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [0,2,0,0,0,0|1,0,1]=4 14475 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,2,0,0,0,0|0,0,1]=3 14476 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,2,0,0,0,0|0,0,1]=3 14477 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,2,0,0,0,0|0,0,2]=4 14478 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,2,0,0,0,0|0,0,2]=4 14479 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,2,0,0,0,0|0,0,2]=4 14480 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,2,0,0,0,0|0,0,2]=4 14481 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,2,0,0,0,0|1,0,1]=4 14482 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,2,0,0,0,0|1,0,1]=4 14483 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [0,2,0,0,0,0|1,0,1]=4 14484 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [0,2,0,0,0,0|1,0,1]=4 14485 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,2,0,0,0,0|0,0,1]=3 14486 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,2,0,0,0,0|0,0,1]=3 14487 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [0,2,0,0,0,0|0,0,2]=4 14488 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [0,2,0,0,0,0|0,0,2]=4 14489 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,2,0,0,0,0|1,0,1]=4 14490 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,2,0,0,0,0|0,0,1]=3 14491 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,2,0,0,0,0|0,0,1]=3 14492 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [0,2,0,0,0,0|0,0,2]=4 14493 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,2,0,0,0,0|1,0,1]=4 14494 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,2,0,0,0,0|1,0,1]=4 14495 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,2,0,0,0,0|1,0,1]=4 14496 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,2,0,0,0,0|1,0,1]=4 14497 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,2,0,0,0,0|1,0,1]=4 14498 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,2,0,0,0,0|1,0,1]=4 14499 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,2,0,0,0,0|1,0,1]=4 14500 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,2,0,0,0,0|1,0,1]=4 14501 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,2,0,0,0,0|1,0,1]=4 14502 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,2,0,0,0,0|1,0,1]=4 14503 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,2,0,0,0,0|1,0,1]=4 14504 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,2,0,0,0,0|0,0,1]=3 14505 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,2,0,0,0,0|0,0,2]=4 14506 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,2,0,0,0,0|0,0,2]=4 14507 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,2,0,0,0,0|1,0,1]=4 14508 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,2,0,0,0,0|1,0,1]=4 14509 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,2,0,0,0,0|1,0,1]=4 14510 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,2,0,0,0,0|1,0,1]=4 14511 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,2,0,0,0,0|0,0,1]=3 14512 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,2,0,0,0,0|0,0,1]=3 14513 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [0,2,0,0,0,0|0,0,2]=4 14514 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [0,2,0,0,0,0|0,0,2]=4 14515 B10R0.71 CC=C=CCCOCCCO 34a_100011020354_100000230001 [0,2,0,0,0,0|0,0,2]=4 14516 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,2,0,0,0,0|1,0,1]=4 14517 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,2,0,0,0,0|1,0,1]=4 14518 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,2,0,0,0,0|0,0,1]=3 14519 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,2,0,0,0,0|0,0,2]=4 14520 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,2,0,0,0,0|1,0,1]=4 14521 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,2,0,0,0,0|0,0,1]=3 14522 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,2,0,0,0,0|0,0,1]=3 14523 B10R0.71 CC=CCNCCOCCO 2230a_100000211614_100000070051 [0,2,0,0,0,0|0,0,2]=4 14524 B10R0.71 CC=CCNCCOCCO 34a_100000211614_100000070051 [0,2,0,0,0,0|0,0,2]=4 14525 B10R0.71 CC=CCNCCSCCO 2230a_100011219999_100000070051 [0,2,0,0,0,0|0,0,2]=4 14526 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,2,0,0,0,0|1,0,1]=4 14527 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,2,0,0,0,0|1,0,1]=4 14528 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,2,0,0,0,0|1,0,1]=4 14529 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,2,0,0,0,0|1,0,1]=4 14530 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,2,0,0,0,0|1,0,1]=4 14531 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,2,0,0,0,0|1,0,1]=4 14532 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,2,0,0,0,0|1,0,1]=4 14533 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,2,0,0,0,0|1,0,1]=4 14534 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,2,0,0,0,0|1,0,1]=4 14535 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,2,0,0,0,0|0,0,2]=4 14536 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,2,0,0,0,0|1,0,1]=4 14537 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,2,0,0,0,0|1,0,1]=4 14538 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,2,0,0,0,0|1,0,1]=4 14539 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,2,0,0,0,0|1,0,1]=4 14540 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,2,0,0,0,0|0,0,1]=3 14541 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,2,0,0,0,0|0,0,1]=3 14542 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,2,0,0,0,0|0,0,2]=4 14543 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,2,0,0,0,0|0,0,2]=4 14544 B10R0.71 CC=CCSCCOCCO 62a_100000070051_100011215305 [0,2,0,0,0,0|0,0,2]=4 14545 B10R0.71 CC=CCSCCOCCO 62a_100011215305_100000070051 [0,2,0,0,0,0|0,0,2]=4 14546 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [0,2,0,0,0,0|1,0,1]=4 14547 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [0,2,0,0,0,0|1,0,1]=4 14548 B10R0.71 CCC#CCCOCCCF 34a_100000036655_100011934791 [0,2,0,0,0,0|1,0,1]=4 14549 B10R0.71 CCC#CCCOCCCF 7a_100000036655_100011934791 [0,2,0,0,0,0|1,0,1]=4 14550 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [0,2,0,0,0,0|0,0,1]=3 14551 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [0,2,0,0,0,0|0,0,1]=3 14552 B10R0.71 CCC#CCCOCCOC 34a_100000036655_100011201679 [0,2,0,0,0,0|0,0,2]=4 14553 B10R0.71 CCC#CCCOCCOC 7a_100000036655_100000233755 [0,2,0,0,0,0|0,0,2]=4 14554 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [0,2,0,0,0,0|1,0,1]=4 14555 B10R0.71 CCC#CCNCCCCO 2230a_100000750430_100009813939 [0,2,0,0,0,0|0,0,1]=3 14556 B10R0.71 CCC#CCNCCCCO 34a_100000750430_100009813939 [0,2,0,0,0,0|0,0,1]=3 14557 B10R0.71 CCC#CCNCCCOC 34a_100150723488_100009813939 [0,2,0,0,0,0|0,0,2]=4 14558 B10R0.71 CCC#CCOCCCCBr 34a_100011216708_100009813939 [0,2,0,0,0,0|1,0,1]=4 14559 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [0,2,0,0,0,0|1,0,1]=4 14560 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [0,2,0,0,0,0|1,0,1]=4 14561 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [0,2,0,0,0,0|1,0,1]=4 14562 B10R0.71 CCC#CCOCCCCCl 34a_100000210776_100009813939 [0,2,0,0,0,0|1,0,1]=4 14563 B10R0.71 CCC#CCOCCCCCl 7a_100000210776_100009813939 [0,2,0,0,0,0|1,0,1]=4 14564 B10R0.71 CCC#CCOCCCCF 34a_100000032950_100000729493 [0,2,0,0,0,0|1,0,1]=4 14565 B10R0.71 CCC#CCOCCCCF 34a_100011995726_100009813939 [0,2,0,0,0,0|1,0,1]=4 14566 B10R0.71 CCC#CCOCCCCF 7a_100011995726_100009813939 [0,2,0,0,0,0|1,0,1]=4 14567 B10R0.71 CCC#CCOCCCCI 34a_200012148704_100009813939 [0,2,0,0,0,0|1,0,1]=4 14568 B10R0.71 CCC#CCOCCCCN 34a_100000750430_100009813939 [0,2,0,0,0,0|1,0,1]=4 14569 B10R0.71 CCC#CCOCCCCO 34a_100000032950_100011216708 [0,2,0,0,0,0|0,0,1]=3 14570 B10R0.71 CCC#CCOCCCOC 34a_100000032950_100000740836 [0,2,0,0,0,0|0,0,2]=4 14571 B10R0.71 CCC#CCOCCCOC 34a_100000740835_100009813939 [0,2,0,0,0,0|0,0,2]=4 14572 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [0,2,0,0,0,0|1,0,1]=4 14573 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [0,2,0,0,0,0|1,0,1]=4 14574 B10R0.71 CCC#CCSCCCCF 62a_100000729493_100009813939 [0,2,0,0,0,0|1,0,1]=4 14575 B10R0.71 CCC#CCSCCCCF 62a_100009813939_100000729493 [0,2,0,0,0,0|1,0,1]=4 14576 B10R0.71 CCC#CCSCCCCO 62a_100000210776_100009813939 [0,2,0,0,0,0|0,0,1]=3 14577 B10R0.71 CCC#CCSCCCCO 62a_100009813939_100000210776 [0,2,0,0,0,0|0,0,1]=3 14578 B10R0.71 CCC#CCSCCCOC 62a_100000709357_100009813939 [0,2,0,0,0,0|0,0,2]=4 14579 B10R0.71 CCC#CCSCCCOC 62a_100009813939_100000709357 [0,2,0,0,0,0|0,0,2]=4 14580 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,2,0,0,0,0|1,0,1]=4 14581 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,2,0,0,0,0|1,0,1]=4 14582 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,2,0,0,0,0|1,0,1]=4 14583 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,2,0,0,0,0|1,0,1]=4 14584 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,2,0,0,0,0|0,0,1]=3 14585 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,2,0,0,0,0|0,0,1]=3 14586 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,2,0,0,0,0|0,0,2]=4 14587 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,2,0,0,0,0|0,0,2]=4 14588 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [0,2,0,0,0,0|1,0,1]=4 14589 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [0,2,0,0,0,0|1,0,1]=4 14590 B10R0.71 CCCC#CCCOCCF 34a_100000042726_100011217306 [0,2,0,0,0,0|1,0,1]=4 14591 B10R0.71 CCCC#CCCOCCF 7a_100000042726_100011217306 [0,2,0,0,0,0|1,0,1]=4 14592 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,2,0,0,0,0|0,0,1]=3 14593 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,2,0,0,0,0|0,0,1]=3 14594 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [0,2,0,0,0,0|1,0,1]=4 14595 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [0,2,0,0,0,0|1,0,1]=4 14596 B10R0.71 CCCC#CCOCCCF 34a_100000034806_100011934791 [0,2,0,0,0,0|1,0,1]=4 14597 B10R0.71 CCCC#CCOCCCF 7a_100000034806_100011934791 [0,2,0,0,0,0|1,0,1]=4 14598 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [0,2,0,0,0,0|0,0,1]=3 14599 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [0,2,0,0,0,0|0,0,1]=3 14600 B10R0.71 CCCC#CCOCCOC 34a_100000034806_100011201679 [0,2,0,0,0,0|0,0,2]=4 14601 B10R0.71 CCCC#CCOCCOC 7a_100000034806_100000233755 [0,2,0,0,0,0|0,0,2]=4 14602 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [0,2,0,0,0,0|1,0,1]=4 14603 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [0,2,0,0,0,0|1,0,1]=4 14604 B10R0.71 CCCC/C=C/COCCF 34a_200016272032_100011217306 [0,2,0,0,0,0|1,0,1]=4 14605 B10R0.71 CCCC/C=C/COCCF 7a_200016272032_100011217306 [0,2,0,0,0,0|1,0,1]=4 14606 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,2,0,0,0,0|0,0,1]=3 14607 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,2,0,0,0,0|0,0,1]=3 14608 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,2,0,0,0,0|0,0,2]=4 14609 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,2,0,0,0,0|0,0,2]=4 14610 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,2,0,0,0,0|0,0,2]=4 14611 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,2,0,0,0,0|0,0,2]=4 14612 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,2,0,0,0,0|1,0,1]=4 14613 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [0,2,0,0,0,0|1,0,1]=4 14614 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [0,2,0,0,0,0|1,0,1]=4 14615 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [0,2,0,0,0,0|1,0,1]=4 14616 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,2,0,0,0,0|0,0,1]=3 14617 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [0,2,0,0,0,0|0,1,1]=4 14618 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [0,2,0,0,0,0|0,1,1]=4 14619 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [0,2,0,0,0,0|0,1,1]=4 14620 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [0,2,0,0,0,0|0,1,1]=4 14621 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [0,2,0,0,0,0|0,0,2]=4 14622 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [0,2,0,0,0,0|0,0,2]=4 14623 B10R0.71 CCCCC#CCCOCF 34a_100000037610_100015361967 [0,2,0,0,0,0|0,0,2]=4 14624 B10R0.71 CCCCC#CCCOCF 7a_100000037610_100015361967 [0,2,0,0,0,0|0,0,2]=4 14625 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [0,2,0,0,0,0|1,0,1]=4 14626 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [0,2,0,0,0,0|1,0,1]=4 14627 B10R0.71 CCCCC#CCOCCF 34a_200000034558_100011217306 [0,2,0,0,0,0|1,0,1]=4 14628 B10R0.71 CCCCC#CCOCCF 7a_200000034558_100011217306 [0,2,0,0,0,0|1,0,1]=4 14629 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [0,2,0,0,0,0|0,0,1]=3 14630 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [0,2,0,0,0,0|0,0,1]=3 14631 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,2,0,0,0,0|0,0,2]=4 14632 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,2,0,0,0,0|0,0,2]=4 14633 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,2,0,0,0,0|0,0,2]=4 14634 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,2,0,0,0,0|0,0,2]=4 14635 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,2,0,0,0,0|0,0,1]=3 14636 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,2,0,0,0,0|0,0,1]=3 14637 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,2,0,0,0,0|0,0,1]=3 14638 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,2,0,0,0,0|0,0,1]=3 14639 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [0,2,0,0,0,0|1,0,1]=4 14640 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,2,0,0,0,0|0,0,1]=3 14641 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,2,0,0,0,0|0,0,1]=3 14642 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,2,0,0,0,0|0,0,1]=3 14643 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,2,0,0,0,0|0,0,1]=3 14644 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [0,2,0,0,0,0|1,0,1]=4 14645 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [0,2,0,0,0,0|0,0,2]=4 14646 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [0,2,0,0,0,0|0,0,2]=4 14647 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [0,2,0,0,0,0|0,0,2]=4 14648 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [0,2,0,0,0,0|0,0,2]=4 14649 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [0,2,0,0,0,0|0,0,2]=4 14650 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [0,2,0,0,0,0|1,0,1]=4 14651 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [0,2,0,0,0,0|1,0,1]=4 14652 B10R0.71 CCCCCC#CCSCF 62a_100009816472_100015361967 [0,2,0,0,0,0|1,0,1]=4 14653 B10R0.71 CCCCCC#CCSCF 62a_100015361967_100009816472 [0,2,0,0,0,0|1,0,1]=4 14654 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,2,0,0,0,0|0,0,1]=3 14655 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,2,0,0,0,0|0,0,1]=3 14656 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,2,0,0,0,0|0,0,1]=3 14657 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,2,0,0,0,0|0,0,1]=3 14658 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [0,2,0,0,0,0|1,0,1]=4 14659 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [0,2,0,0,0,0|0,0,1]=3 14660 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,2,0,0,0,0|0,0,1]=3 14661 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,2,0,0,0,0|0,0,1]=3 14662 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,2,0,0,0,0|0,0,1]=3 14663 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,2,0,0,0,0|0,0,1]=3 14664 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,2,0,0,0,0|1,0,1]=4 14665 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,2,0,0,0,0|1,0,0]=3 14666 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,2,0,0,0,0|1,0,0]=3 14667 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,2,0,0,0,0|1,0,0]=3 14668 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,2,0,0,0,0|1,0,0]=3 14669 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,2,0,0,0,0|1,0,0]=3 14670 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,2,0,0,0,0|1,0,0]=3 14671 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,2,0,0,0,0|1,0,0]=3 14672 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,2,0,0,0,0|0,0,0]=2 14673 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,2,0,0,0,0|0,0,0]=2 14674 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,2,0,0,0,0|0,0,0]=2 14675 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,2,0,0,0,0|0,0,0]=2 14676 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,2,0,0,0,0|0,0,0]=2 14677 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,2,0,0,0,0|0,1,0]=3 14678 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,2,0,0,0,0|0,1,0]=3 14679 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,2,0,0,0,0|1,0,0]=3 14680 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,2,0,0,0,0|1,0,0]=3 14681 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,2,0,0,0,0|1,0,0]=3 14682 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,2,0,0,0,0|1,0,0]=3 14683 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,2,0,0,0,0|0,0,0]=2 14684 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,2,0,0,0,0|0,0,0]=2 14685 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,2,0,0,0,0|0,0,0]=2 14686 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,2,0,0,0,0|0,0,0]=2 14687 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,2,0,0,0,0|0,0,0]=2 14688 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,2,0,0,0,0|0,1,0]=3 14689 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,2,0,0,0,0|0,1,0]=3 14690 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,2,0,0,0,0|0,1,0]=3 14691 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,2,0,0,0,0|0,1,0]=3 14692 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,2,0,0,0,0|1,0,0]=3 14693 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,2,0,0,0,0|0,0,1]=3 14694 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,2,0,0,0,0|1,0,0]=3 14695 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,2,0,0,0,0|1,0,0]=3 14696 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,2,0,0,0,0|1,0,0]=3 14697 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,2,0,0,0,0|0,0,0]=2 14698 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,2,0,0,0,0|0,0,0]=2 14699 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,2,0,0,0,0|0,0,0]=2 14700 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,2,0,0,0,0|0,0,0]=2 14701 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,2,0,0,0,0|0,1,0]=3 14702 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,2,0,0,0,0|1,0,0]=3 14703 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,2,0,0,0,0|0,0,1]=3 14704 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,2,0,0,0,0|0,0,1]=3 14705 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,2,0,0,0,0|1,0,0]=3 14706 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,2,0,0,0,0|1,0,0]=3 14707 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,2,0,0,0,0|1,0,0]=3 14708 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,2,0,0,0,0|1,0,0]=3 14709 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,2,0,0,0,0|1,0,0]=3 14710 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,2,0,0,0,0|1,0,0]=3 14711 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,2,0,0,0,0|1,0,0]=3 14712 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,2,0,0,0,0|0,0,0]=2 14713 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,2,0,0,0,0|0,0,0]=2 14714 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,2,0,0,0,0|0,1,0]=3 14715 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,2,0,0,0,0|1,0,0]=3 14716 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,2,0,0,0,0|1,0,0]=3 14717 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,2,0,0,0,0|0,0,1]=3 14718 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,2,0,0,0,0|0,0,1]=3 14719 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,2,0,0,0,0|1,0,0]=3 14720 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,2,0,0,0,0|1,0,0]=3 14721 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,2,0,0,0,0|1,0,0]=3 14722 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,2,0,0,0,0|1,0,0]=3 14723 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,2,0,0,0,0|0,0,0]=2 14724 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,2,0,0,0,0|0,0,0]=2 14725 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,2,0,0,0,0|0,0,0]=2 14726 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,2,0,0,0,0|0,0,0]=2 14727 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,2,0,0,0,0|0,1,0]=3 14728 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,2,0,0,0,0|0,1,0]=3 14729 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,2,0,0,0,0|1,0,0]=3 14730 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,2,0,0,0,0|1,0,0]=3 14731 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,2,0,0,0,0|1,0,0]=3 14732 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,2,0,0,0,0|1,0,0]=3 14733 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,2,0,0,0,0|1,0,0]=3 14734 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,2,0,0,0,0|1,0,0]=3 14735 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,2,0,0,0,0|1,0,0]=3 14736 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,2,0,0,0,0|0,0,0]=2 14737 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,2,0,0,0,0|0,0,0]=2 14738 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,2,0,0,0,0|0,0,0]=2 14739 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,2,0,0,0,0|0,1,0]=3 14740 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,2,0,0,0,0|0,1,0]=3 14741 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,2,0,0,0,0|1,0,0]=3 14742 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,2,0,0,0,0|1,0,0]=3 14743 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,2,0,0,0,0|1,0,0]=3 14744 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,2,0,0,0,0|1,0,0]=3 14745 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,2,0,0,0,0|1,0,0]=3 14746 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,2,0,0,0,0|1,0,0]=3 14747 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,2,0,0,0,0|1,0,0]=3 14748 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,2,0,0,0,0|1,0,0]=3 14749 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,2,0,0,0,0|1,0,0]=3 14750 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,2,0,0,0,0|1,0,0]=3 14751 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,2,0,0,0,0|1,0,0]=3 14752 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,2,0,0,0,0|0,0,0]=2 14753 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,2,0,0,0,0|0,0,0]=2 14754 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,2,0,0,0,0|0,0,0]=2 14755 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,2,0,0,0,0|0,0,0]=2 14756 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,2,0,0,0,0|0,0,0]=2 14757 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,2,0,0,0,0|0,0,0]=2 14758 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,2,0,0,0,0|0,0,0]=2 14759 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,2,0,0,0,0|0,0,0]=2 14760 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,2,0,0,0,0|0,0,0]=2 14761 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,2,0,0,0,0|0,0,0]=2 14762 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,2,0,0,0,0|0,1,0]=3 14763 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,2,0,0,0,0|0,1,0]=3 14764 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,2,0,0,0,0|0,1,0]=3 14765 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,2,0,0,0,0|0,1,0]=3 14766 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,2,0,0,0,0|1,0,0]=3 14767 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,2,0,0,0,0|1,0,0]=3 14768 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,2,0,0,0,0|1,0,0]=3 14769 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,2,0,0,0,0|1,0,0]=3 14770 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,2,0,0,0,0|1,0,0]=3 14771 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,2,0,0,0,0|1,0,0]=3 14772 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,2,0,0,0,0|0,0,0]=2 14773 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,2,0,0,0,0|0,0,0]=2 14774 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,2,0,0,0,0|0,0,0]=2 14775 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,2,0,0,0,0|0,0,0]=2 14776 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,2,0,0,0,0|0,1,0]=3 14777 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,2,0,0,0,0|0,1,0]=3 14778 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,2,0,0,0,0|1,0,0]=3 14779 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,2,0,0,0,0|1,0,0]=3 14780 B10R0.71 CCCCCCSCSC#N 62a_100000210314_100000211825 [0,2,0,0,0,0|1,0,1]=4 14781 B10R0.71 CCCCCCSCSC#N 62a_100000211825_100000210757 [0,2,0,0,0,0|1,0,1]=4 14782 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [0,2,0,0,0,0|0,0,1]=3 14783 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,2,0,0,0,0|1,0,0]=3 14784 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,2,0,0,0,0|0,0,1]=3 14785 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,2,0,0,0,0|1,0,0]=3 14786 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,2,0,0,0,0|1,0,0]=3 14787 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,2,0,0,0,0|0,0,0]=2 14788 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,2,0,0,0,0|0,0,0]=2 14789 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,2,0,0,0,0|0,0,0]=2 14790 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,2,0,0,0,0|0,0,0]=2 14791 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,2,0,0,0,0|0,0,0]=2 14792 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,2,0,0,0,0|0,1,0]=3 14793 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,2,0,0,0,0|1,0,0]=3 14794 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,2,0,0,0,0|1,0,0]=3 14795 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,2,0,0,0,0|1,0,0]=3 14796 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,2,0,0,0,0|1,0,0]=3 14797 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,2,0,0,0,0|1,0,0]=3 14798 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,2,0,0,0,0|1,0,0]=3 14799 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,2,0,0,0,0|1,0,0]=3 14800 B10R0.71 CCCCCOCC#CCCl 34a_200000047223_100000718602 [0,2,0,0,0,0|1,0,1]=4 14801 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [0,2,0,0,0,0|0,0,1]=3 14802 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [0,2,0,0,0,0|0,0,1]=3 14803 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,2,0,0,0,0|1,0,0]=3 14804 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,2,0,0,0,0|0,0,1]=3 14805 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,2,0,0,0,0|1,0,0]=3 14806 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,2,0,0,0,0|1,0,0]=3 14807 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,2,0,0,0,0|1,0,0]=3 14808 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,2,0,0,0,0|1,0,0]=3 14809 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,2,0,0,0,0|1,0,0]=3 14810 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,2,0,0,0,0|1,0,0]=3 14811 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,2,0,0,0,0|1,0,0]=3 14812 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,2,0,0,0,0|1,0,0]=3 14813 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,2,0,0,0,0|1,0,0]=3 14814 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,2,0,0,0,0|1,0,0]=3 14815 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,2,0,0,0,0|1,0,0]=3 14816 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,2,0,0,0,0|0,0,0]=2 14817 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,2,0,0,0,0|0,0,0]=2 14818 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,2,0,0,0,0|1,0,0]=3 14819 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,2,0,0,0,0|0,0,0]=2 14820 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,2,0,0,0,0|0,0,0]=2 14821 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,2,0,0,0,0|0,0,0]=2 14822 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,2,0,0,0,0|0,1,0]=3 14823 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,2,0,0,0,0|0,1,0]=3 14824 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,2,0,0,0,0|1,0,0]=3 14825 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,2,0,0,0,0|1,0,0]=3 14826 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,2,0,0,0,0|1,0,0]=3 14827 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,2,0,0,0,0|1,0,0]=3 14828 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,2,0,0,0,0|1,0,0]=3 14829 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,2,0,0,0,0|1,0,0]=3 14830 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,2,0,0,0,0|1,0,0]=3 14831 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,2,0,0,0,0|1,0,0]=3 14832 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,2,0,0,0,0|1,0,0]=3 14833 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,2,0,0,0,0|1,0,0]=3 14834 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,2,0,0,0,0|1,0,0]=3 14835 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,2,0,0,0,0|1,0,0]=3 14836 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [0,2,0,0,0,0|0,0,1]=3 14837 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [0,2,0,0,0,0|0,0,1]=3 14838 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,2,0,0,0,0|1,0,0]=3 14839 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,2,0,0,0,0|1,0,0]=3 14840 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,2,0,0,0,0|0,0,1]=3 14841 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,2,0,0,0,0|0,0,1]=3 14842 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,2,0,0,0,0|1,0,0]=3 14843 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,2,0,0,0,0|1,0,0]=3 14844 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,2,0,0,0,0|1,0,0]=3 14845 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,2,0,0,0,0|0,0,0]=2 14846 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,2,0,0,0,0|0,0,0]=2 14847 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,2,0,0,0,0|0,0,0]=2 14848 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,2,0,0,0,0|0,0,0]=2 14849 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,2,0,0,0,0|1,0,0]=3 14850 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,2,0,0,0,0|1,0,0]=3 14851 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,2,0,0,0,0|1,0,1]=4 14852 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,2,0,0,0,0|1,0,1]=4 14853 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,2,0,0,0,0|1,0,0]=3 14854 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,2,0,0,0,0|1,0,0]=3 14855 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,2,0,0,0,0|1,0,0]=3 14856 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,2,0,0,0,0|1,0,0]=3 14857 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,2,0,0,0,0|0,0,1]=3 14858 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,2,0,0,0,0|0,0,1]=3 14859 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,2,0,0,0,0|1,0,0]=3 14860 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,2,0,0,0,0|1,0,0]=3 14861 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,2,0,0,0,0|0,0,0]=2 14862 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,2,0,0,0,0|0,0,0]=2 14863 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,2,0,0,0,0|0,0,0]=2 14864 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,2,0,0,0,0|0,0,0]=2 14865 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,2,0,0,0,0|0,0,0]=2 14866 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,2,0,0,0,0|0,0,0]=2 14867 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,2,0,0,0,0|0,0,0]=2 14868 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,2,0,0,0,0|0,0,0]=2 14869 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,2,0,0,0,0|2,0,0]=4 14870 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,2,0,0,0,0|1,0,0]=3 14871 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,2,0,0,0,0|1,0,0]=3 14872 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,2,0,0,0,0|1,0,0]=3 14873 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,2,0,0,0,0|1,0,0]=3 14874 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,2,0,0,0,0|1,0,1]=4 14875 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,2,0,0,0,0|1,0,1]=4 14876 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,2,0,0,0,0|1,0,0]=3 14877 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,2,0,0,0,0|1,0,0]=3 14878 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,2,0,0,0,0|1,0,0]=3 14879 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,2,0,0,0,0|1,0,0]=3 14880 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,2,0,0,0,0|0,0,0]=2 14881 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,2,0,0,0,0|0,0,0]=2 14882 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,2,0,0,0,0|0,0,0]=2 14883 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,2,0,0,0,0|0,0,0]=2 14884 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,2,0,0,0,0|1,0,0]=3 14885 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,2,0,0,0,0|0,0,0]=2 14886 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,2,0,0,0,0|1,0,0]=3 14887 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,2,0,0,0,0|1,0,0]=3 14888 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,2,0,0,0,0|1,0,0]=3 14889 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,2,0,0,0,0|0,0,1]=3 14890 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,2,0,0,0,0|1,0,0]=3 14891 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,2,0,0,0,0|1,0,0]=3 14892 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,2,0,0,0,0|1,0,0]=3 14893 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,2,0,0,0,0|1,0,0]=3 14894 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,2,0,0,0,0|1,0,0]=3 14895 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,2,0,0,0,0|1,0,0]=3 14896 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,2,0,0,0,0|1,0,0]=3 14897 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,2,0,0,0,0|1,0,0]=3 14898 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,2,0,0,0,0|1,0,0]=3 14899 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,2,0,0,0,0|0,0,0]=2 14900 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,2,0,0,0,0|0,0,0]=2 14901 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,2,0,0,0,0|0,0,0]=2 14902 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,2,0,0,0,0|0,0,0]=2 14903 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,2,0,0,0,0|0,0,0]=2 14904 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,2,0,0,0,0|0,0,0]=2 14905 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,2,0,0,0,0|0,0,0]=2 14906 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,2,0,0,0,0|0,0,0]=2 14907 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,2,0,0,0,0|0,0,0]=2 14908 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,2,0,0,0,0|0,1,0]=3 14909 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,2,0,0,0,0|0,1,0]=3 14910 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,2,0,0,0,0|1,0,0]=3 14911 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,2,0,0,0,0|1,0,0]=3 14912 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,2,0,0,0,0|1,0,0]=3 14913 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,2,0,0,0,0|1,0,0]=3 14914 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,2,0,0,0,0|1,0,0]=3 14915 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,2,0,0,0,0|1,0,0]=3 14916 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,2,0,0,0,0|1,0,0]=3 14917 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,2,0,0,0,0|1,0,0]=3 14918 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,2,0,0,0,0|1,0,0]=3 14919 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,2,0,0,0,0|1,0,0]=3 14920 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,2,0,0,0,0|1,0,0]=3 14921 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,2,0,0,0,0|1,0,0]=3 14922 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,2,0,0,0,0|1,0,0]=3 14923 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,2,0,0,0,0|1,0,0]=3 14924 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,2,0,0,0,0|0,0,0]=2 14925 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,2,0,0,0,0|0,0,0]=2 14926 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,2,0,0,0,0|1,0,1]=4 14927 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,2,0,0,0,0|1,0,1]=4 14928 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,2,0,0,0,0|0,0,2]=4 14929 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,2,0,0,0,0|0,0,2]=4 14930 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,2,0,0,0,0|1,0,0]=3 14931 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,2,0,0,0,0|1,0,0]=3 14932 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,2,0,0,0,0|1,0,0]=3 14933 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,2,0,0,0,0|1,0,0]=3 14934 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,2,0,0,0,0|1,0,0]=3 14935 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,2,0,0,0,0|1,0,0]=3 14936 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,2,0,0,0,0|1,0,0]=3 14937 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,2,0,0,0,0|1,0,0]=3 14938 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,2,0,0,0,0|1,0,0]=3 14939 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,2,0,0,0,0|1,0,0]=3 14940 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,2,0,0,0,0|1,0,0]=3 14941 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,2,0,0,0,0|1,0,0]=3 14942 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,2,0,0,0,0|1,0,0]=3 14943 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,2,0,0,0,0|1,0,0]=3 14944 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,2,0,0,0,0|1,0,0]=3 14945 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,2,0,0,0,0|1,0,0]=3 14946 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,2,0,0,0,0|1,0,0]=3 14947 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,2,0,0,0,0|1,0,0]=3 14948 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,2,0,0,0,0|1,0,0]=3 14949 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,2,0,0,0,0|1,0,0]=3 14950 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,2,0,0,0,0|0,0,0]=2 14951 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,2,0,0,0,0|0,0,0]=2 14952 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,2,0,0,0,0|0,0,0]=2 14953 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,2,0,0,0,0|0,0,0]=2 14954 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,2,0,0,0,0|1,1,0]=4 14955 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,2,0,0,0,0|1,0,1]=4 14956 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,2,0,0,0,0|1,0,1]=4 14957 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,2,0,0,0,0|0,0,2]=4 14958 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,2,0,0,0,0|0,0,2]=4 14959 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,2,0,0,0,0|1,0,0]=3 14960 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,2,0,0,0,0|1,0,0]=3 14961 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,2,0,0,0,0|1,0,0]=3 14962 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,2,0,0,0,0|1,0,0]=3 14963 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,2,0,0,0,0|1,0,0]=3 14964 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,2,0,0,0,0|1,0,0]=3 14965 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,2,0,0,0,0|0,0,0]=2 14966 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,2,0,0,0,0|0,0,0]=2 14967 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,2,0,0,0,0|1,0,0]=3 14968 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,2,0,0,0,0|1,0,0]=3 14969 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,2,0,0,0,0|1,1,0]=4 14970 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,2,0,0,0,0|1,1,0]=4 14971 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,2,0,0,0,0|1,0,0]=3 14972 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,2,0,0,0,0|1,0,0]=3 14973 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,2,0,0,0,0|1,0,0]=3 14974 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,2,0,0,0,0|1,1,0]=4 14975 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,2,0,0,0,0|1,0,0]=3 14976 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,2,0,0,0,0|1,0,0]=3 14977 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,2,0,0,0,0|1,0,0]=3 14978 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,2,0,0,0,0|1,0,0]=3 14979 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,2,0,0,0,0|1,0,0]=3 14980 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,2,0,0,0,0|1,0,0]=3 14981 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,2,0,0,0,0|1,0,0]=3 14982 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,2,0,0,0,0|1,1,0]=4 14983 B10R0.71 CCCCOCSCCC#N 62a_100011215226_100011995733 [0,2,0,0,0,0|1,0,1]=4 14984 B10R0.71 CCCCOCSCCC#N 62a_100011995733_100011215226 [0,2,0,0,0,0|1,0,1]=4 14985 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,2,0,0,0,0|1,0,0]=3 14986 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,2,0,0,0,0|1,0,0]=3 14987 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,2,0,0,0,0|1,0,0]=3 14988 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,2,0,0,0,0|1,0,0]=3 14989 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,2,0,0,0,0|0,0,0]=2 14990 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,2,0,0,0,0|0,0,0]=2 14991 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,2,0,0,0,0|1,0,0]=3 14992 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,2,0,0,0,0|1,0,0]=3 14993 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,2,0,0,0,0|1,1,0]=4 14994 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,2,0,0,0,0|1,1,0]=4 14995 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [0,2,0,0,0,0|2,0,0]=4 14996 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [0,2,0,0,0,0|2,0,0]=4 14997 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,2,0,0,0,0|1,0,0]=3 14998 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,2,0,0,0,0|1,0,0]=3 14999 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,2,0,0,0,0|0,0,1]=3 15000 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,2,0,0,0,0|0,0,1]=3 15001 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,2,0,0,0,0|1,0,0]=3 15002 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,2,0,0,0,0|1,0,0]=3 15003 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,2,0,0,0,0|0,0,0]=2 15004 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,2,0,0,0,0|0,0,0]=2 15005 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,2,0,0,0,0|0,0,0]=2 15006 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,2,0,0,0,0|0,0,0]=2 15007 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,2,0,0,0,0|1,0,0]=3 15008 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,2,0,0,0,0|1,0,0]=3 15009 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,2,0,0,0,0|1,0,1]=4 15010 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,2,0,0,0,0|0,0,2]=4 15011 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,2,0,0,0,0|1,0,0]=3 15012 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,2,0,0,0,0|1,0,0]=3 15013 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,2,0,0,0,0|0,0,0]=2 15014 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,2,0,0,0,0|1,0,0]=3 15015 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,2,0,0,0,0|1,1,0]=4 15016 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,2,0,0,0,0|1,0,1]=4 15017 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,2,0,0,0,0|1,0,1]=4 15018 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,2,0,0,0,0|1,0,1]=4 15019 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,2,0,0,0,0|0,0,2]=4 15020 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,2,0,0,0,0|0,0,2]=4 15021 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,2,0,0,0,0|1,0,0]=3 15022 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,2,0,0,0,0|1,0,0]=3 15023 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,2,0,0,0,0|1,0,0]=3 15024 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,2,0,0,0,0|1,0,0]=3 15025 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,2,0,0,0,0|1,0,0]=3 15026 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,2,0,0,0,0|1,0,0]=3 15027 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,2,0,0,0,0|0,0,0]=2 15028 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,2,0,0,0,0|0,0,0]=2 15029 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,2,0,0,0,0|0,0,0]=2 15030 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,2,0,0,0,0|0,0,0]=2 15031 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,2,0,0,0,0|1,1,0]=4 15032 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,2,0,0,0,0|1,0,0]=3 15033 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,2,0,0,0,0|1,0,0]=3 15034 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,2,0,0,0,0|0,0,0]=2 15035 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,2,0,0,0,0|0,0,0]=2 15036 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,2,0,0,0,0|0,0,0]=2 15037 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,2,0,0,0,0|0,0,0]=2 15038 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,2,0,0,0,0|2,0,0]=4 15039 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,2,0,0,0,0|1,0,0]=3 15040 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,2,0,0,0,0|1,0,0]=3 15041 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,2,0,0,0,0|1,0,0]=3 15042 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,2,0,0,0,0|1,0,0]=3 15043 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [0,2,0,0,0,0|0,0,1]=3 15044 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,2,0,0,0,0|1,0,0]=3 15045 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,2,0,0,0,0|1,0,0]=3 15046 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,2,0,0,0,0|1,0,0]=3 15047 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,2,0,0,0,0|1,0,0]=3 15048 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,2,0,0,0,0|1,0,0]=3 15049 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,2,0,0,0,0|1,0,0]=3 15050 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,2,0,0,0,0|1,0,0]=3 15051 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,2,0,0,0,0|1,0,0]=3 15052 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,2,0,0,0,0|0,0,0]=2 15053 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,2,0,0,0,0|1,0,0]=3 15054 B10R0.71 CCCOCCCNCC#N 2230a_100011217757_100011215382 [0,2,0,0,0,0|1,0,1]=4 15055 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,2,0,0,0,0|0,0,2]=4 15056 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,2,0,0,0,0|0,0,2]=4 15057 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,2,0,0,0,0|1,0,0]=3 15058 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,2,0,0,0,0|1,0,0]=3 15059 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,2,0,0,0,0|0,0,0]=2 15060 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,2,0,0,0,0|0,0,0]=2 15061 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,2,0,0,0,0|1,0,0]=3 15062 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,2,0,0,0,0|1,1,0]=4 15063 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,2,0,0,0,0|1,1,0]=4 15064 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,2,0,0,0,0|1,0,1]=4 15065 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,2,0,0,0,0|1,0,0]=3 15066 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,2,0,0,0,0|1,0,0]=3 15067 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,2,0,0,0,0|1,0,0]=3 15068 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,2,0,0,0,0|1,0,0]=3 15069 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,2,0,0,0,0|0,0,0]=2 15070 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,2,0,0,0,0|0,0,0]=2 15071 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,2,0,0,0,0|1,0,0]=3 15072 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,2,0,0,0,0|1,0,0]=3 15073 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,2,0,0,0,0|1,0,0]=3 15074 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,2,0,0,0,0|1,1,0]=4 15075 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,2,0,0,0,0|1,1,0]=4 15076 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,2,0,0,0,0|1,1,0]=4 15077 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,2,0,0,0,0|1,0,1]=4 15078 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,2,0,0,0,0|1,0,0]=3 15079 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,2,0,0,0,0|1,0,0]=3 15080 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,2,0,0,0,0|1,0,0]=3 15081 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,2,0,0,0,0|1,0,0]=3 15082 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,2,0,0,0,0|1,0,0]=3 15083 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,2,0,0,0,0|1,0,0]=3 15084 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,2,0,0,0,0|0,0,0]=2 15085 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,2,0,0,0,0|0,0,0]=2 15086 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,2,0,0,0,0|2,0,0]=4 15087 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,2,0,0,0,0|2,0,0]=4 15088 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,2,0,0,0,0|2,0,0]=4 15089 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,2,0,0,0,0|2,0,0]=4 15090 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,2,0,0,0,0|2,0,0]=4 15091 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,2,0,0,0,0|1,0,0]=3 15092 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,2,0,0,0,0|1,0,0]=3 15093 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,2,0,0,0,0|1,0,0]=3 15094 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,2,0,0,0,0|1,0,0]=3 15095 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,2,0,0,0,0|1,0,0]=3 15096 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,2,0,0,0,0|1,0,0]=3 15097 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,2,0,0,0,0|1,0,0]=3 15098 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,2,0,0,0,0|1,1,0]=4 15099 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,2,0,0,0,0|1,1,0]=4 15100 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,2,0,0,0,0|1,1,0]=4 15101 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,2,0,0,0,0|1,1,0]=4 15102 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,2,0,0,0,0|1,0,1]=4 15103 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,2,0,0,0,0|1,0,1]=4 15104 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,2,0,0,0,0|1,0,0]=3 15105 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,2,0,0,0,0|1,0,0]=3 15106 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,2,0,0,0,0|0,0,0]=2 15107 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,2,0,0,0,0|0,0,0]=2 15108 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,2,0,0,0,0|1,0,0]=3 15109 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,2,0,0,0,0|1,0,0]=3 15110 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,2,0,0,0,0|1,1,0]=4 15111 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,2,0,0,0,0|1,1,0]=4 15112 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [0,2,0,0,0,0|2,0,0]=4 15113 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [0,2,0,0,0,0|2,0,0]=4 15114 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,2,0,0,0,0|1,0,0]=3 15115 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,2,0,0,0,0|1,0,0]=3 15116 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,2,0,0,0,0|0,0,1]=3 15117 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,2,0,0,0,0|0,0,1]=3 15118 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,2,0,0,0,0|1,0,0]=3 15119 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,2,0,0,0,0|1,0,0]=3 15120 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,2,0,0,0,0|0,0,0]=2 15121 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,2,0,0,0,0|0,0,0]=2 15122 B10R0.71 CCCSCCNCCC#N 2230a_100020603323_100011215226 [0,2,0,0,0,0|1,0,1]=4 15123 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,2,0,0,0,0|1,0,0]=3 15124 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,2,0,0,0,0|0,0,0]=2 15125 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,2,0,0,0,0|1,0,0]=3 15126 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [0,2,0,0,0,0|1,1,0]=4 15127 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,2,0,0,0,0|1,0,1]=4 15128 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,2,0,0,0,0|1,0,0]=3 15129 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,2,0,0,0,0|1,0,0]=3 15130 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,2,0,0,0,0|0,0,0]=2 15131 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,2,0,0,0,0|0,0,0]=2 15132 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,2,0,0,0,0|1,0,0]=3 15133 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,2,0,0,0,0|1,0,0]=3 15134 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,2,0,0,0,0|1,0,0]=3 15135 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,2,0,0,0,0|1,0,0]=3 15136 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,2,0,0,0,0|1,1,0]=4 15137 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,2,0,0,0,0|1,1,0]=4 15138 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,2,0,0,0,0|1,0,0]=3 15139 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,2,0,0,0,0|0,0,0]=2 15140 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,2,0,0,0,0|0,0,0]=2 15141 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,2,0,0,0,0|0,0,0]=2 15142 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,2,0,0,0,0|0,0,0]=2 15143 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,2,0,0,0,0|0,0,0]=2 15144 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,2,0,0,0,0|0,0,0]=2 15145 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,2,0,0,0,0|1,0,0]=3 15146 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,2,0,0,0,0|1,0,0]=3 15147 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,2,0,0,0,0|1,0,0]=3 15148 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [0,2,0,0,0,0|2,0,0]=4 15149 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [0,2,0,0,0,0|2,0,0]=4 15150 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [0,2,0,0,0,0|2,0,0]=4 15151 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,2,0,0,0,0|1,0,0]=3 15152 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,2,0,0,0,0|1,0,0]=3 15153 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,2,0,0,0,0|1,0,0]=3 15154 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,2,0,0,0,0|0,0,0]=2 15155 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,2,0,0,0,0|0,0,0]=2 15156 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,2,0,0,0,0|0,0,0]=2 15157 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,2,0,0,0,0|0,0,0]=2 15158 B10R0.71 CCOCCCNCCC#N 2230a_100000210961_100011215226 [0,2,0,0,0,0|1,0,1]=4 15159 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,2,0,0,0,0|1,0,0]=3 15160 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,2,0,0,0,0|1,0,0]=3 15161 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,2,0,0,0,0|1,0,0]=3 15162 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,2,0,0,0,0|1,0,0]=3 15163 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,2,0,0,0,0|0,0,0]=2 15164 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,2,0,0,0,0|0,0,0]=2 15165 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,2,0,0,0,0|1,0,0]=3 15166 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,2,0,0,0,0|1,0,0]=3 15167 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,2,0,0,0,0|1,0,0]=3 15168 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,2,0,0,0,0|1,1,0]=4 15169 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,2,0,0,0,0|1,1,0]=4 15170 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,2,0,0,0,0|1,1,0]=4 15171 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,2,0,0,0,0|1,0,1]=4 15172 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,2,0,0,0,0|1,0,0]=3 15173 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,2,0,0,0,0|1,0,0]=3 15174 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,2,0,0,0,0|1,0,0]=3 15175 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,2,0,0,0,0|1,0,0]=3 15176 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,2,0,0,0,0|1,0,0]=3 15177 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,2,0,0,0,0|1,0,0]=3 15178 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,2,0,0,0,0|1,0,0]=3 15179 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,2,0,0,0,0|0,0,0]=2 15180 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,2,0,0,0,0|0,0,0]=2 15181 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,2,0,0,0,0|1,0,0]=3 15182 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,2,0,0,0,0|1,0,0]=3 15183 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,2,0,0,0,0|1,0,0]=3 15184 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,2,0,0,0,0|1,0,0]=3 15185 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,2,0,0,0,0|1,0,0]=3 15186 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,2,0,0,0,0|1,1,0]=4 15187 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,2,0,0,0,0|1,1,0]=4 15188 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,2,0,0,0,0|1,1,0]=4 15189 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,2,0,0,0,0|1,1,0]=4 15190 B10R0.71 CCOCCCSCCC#N 62a_100011215226_100012232248 [0,2,0,0,0,0|1,0,1]=4 15191 B10R0.71 CCOCCCSCCC#N 62a_100012232248_100011215226 [0,2,0,0,0,0|1,0,1]=4 15192 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,2,0,0,0,0|1,0,0]=3 15193 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,2,0,0,0,0|1,0,0]=3 15194 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,2,0,0,0,0|0,0,0]=2 15195 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,2,0,0,0,0|0,0,0]=2 15196 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,2,0,0,0,0|1,0,0]=3 15197 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,2,0,0,0,0|1,0,0]=3 15198 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,2,0,0,0,0|1,1,0]=4 15199 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,2,0,0,0,0|1,1,0]=4 15200 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [0,2,0,0,0,0|2,0,0]=4 15201 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [0,2,0,0,0,0|2,0,0]=4 15202 B10R0.71 CCOCCNCC#CCO 2230a_102516460346_200000047223 [0,2,0,0,0,0|0,0,2]=4 15203 B10R0.71 CCOCCNCC#CCO 34a_102516460346_200000047223 [0,2,0,0,0,0|0,0,2]=4 15204 B10R0.71 CCOCCNCCCC#N 2230a_102516460346_100000687738 [0,2,0,0,0,0|1,0,1]=4 15205 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,2,0,0,0,0|0,0,2]=4 15206 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,2,0,0,0,0|1,0,0]=3 15207 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,2,0,0,0,0|1,0,0]=3 15208 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,2,0,0,0,0|0,0,0]=2 15209 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,2,0,0,0,0|0,0,0]=2 15210 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,2,0,0,0,0|0,0,0]=2 15211 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,2,0,0,0,0|0,0,0]=2 15212 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,2,0,0,0,0|1,0,0]=3 15213 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,2,0,0,0,0|1,0,0]=3 15214 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,2,0,0,0,0|1,0,0]=3 15215 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,2,0,0,0,0|1,1,0]=4 15216 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [0,2,0,0,0,0|2,0,0]=4 15217 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [0,2,0,0,0,0|2,0,0]=4 15218 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [0,2,0,0,0,0|2,0,0]=4 15219 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [0,2,0,0,0,0|2,0,0]=4 15220 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [0,2,0,0,0,0|2,0,0]=4 15221 B10R0.71 CCOCCOCC#CCO 34a_100000210136_200000047223 [0,2,0,0,0,0|0,0,2]=4 15222 B10R0.71 CCOCCOCC#CCO 7a_100000210136_200000047223 [0,2,0,0,0,0|0,0,2]=4 15223 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,2,0,0,0,0|1,0,1]=4 15224 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,2,0,0,0,0|0,0,2]=4 15225 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,2,0,0,0,0|1,0,0]=3 15226 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,2,0,0,0,0|1,0,0]=3 15227 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,2,0,0,0,0|1,0,0]=3 15228 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,2,0,0,0,0|1,0,0]=3 15229 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,2,0,0,0,0|1,0,0]=3 15230 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,2,0,0,0,0|1,0,0]=3 15231 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,2,0,0,0,0|1,0,0]=3 15232 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,2,0,0,0,0|1,0,0]=3 15233 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,2,0,0,0,0|1,0,0]=3 15234 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,2,0,0,0,0|0,0,0]=2 15235 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,2,0,0,0,0|0,0,0]=2 15236 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,2,0,0,0,0|2,0,0]=4 15237 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,2,0,0,0,0|1,0,0]=3 15238 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,2,0,0,0,0|1,0,0]=3 15239 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,2,0,0,0,0|1,0,0]=3 15240 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,2,0,0,0,0|1,1,0]=4 15241 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,2,0,0,0,0|1,1,0]=4 15242 B10R0.71 CCOCCOCCNCF 34a_100102712874_100015361967 [0,2,0,0,0,0|2,0,0]=4 15243 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [0,2,0,0,0,0|2,0,0]=4 15244 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [0,2,0,0,0,0|2,0,0]=4 15245 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [0,2,0,0,0,0|2,0,0]=4 15246 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [0,2,0,0,0,0|2,0,0]=4 15247 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [0,2,0,0,0,0|2,0,0]=4 15248 B10R0.71 CCOCCOCCOCF 34a_100000210240_100015361967 [0,2,0,0,0,0|2,0,0]=4 15249 B10R0.71 CCOCCOCCOCF 7a_100000210240_100015361967 [0,2,0,0,0,0|2,0,0]=4 15250 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [0,2,0,0,0,0|2,0,0]=4 15251 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [0,2,0,0,0,0|2,0,0]=4 15252 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [0,2,0,0,0,0|2,0,0]=4 15253 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [0,2,0,0,0,0|2,0,0]=4 15254 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [0,2,0,0,0,0|2,0,0]=4 15255 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [0,2,0,0,0,0|2,0,0]=4 15256 B10R0.71 CCOCCOCCSCF 62a_100011211534_100015361967 [0,2,0,0,0,0|2,0,0]=4 15257 B10R0.71 CCOCCOCCSCF 62a_100015361967_100011211534 [0,2,0,0,0,0|2,0,0]=4 15258 B10R0.71 CCOCCSCC#CCO 62a_100000210147_200000047223 [0,2,0,0,0,0|0,0,2]=4 15259 B10R0.71 CCOCCSCC#CCO 62a_200000047223_100011215890 [0,2,0,0,0,0|0,0,2]=4 15260 B10R0.71 CCOCCSCCCC#N 62a_100000210147_100000687738 [0,2,0,0,0,0|1,0,1]=4 15261 B10R0.71 CCOCCSCCCC#N 62a_100000687738_100011215890 [0,2,0,0,0,0|1,0,1]=4 15262 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,2,0,0,0,0|0,0,2]=4 15263 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,2,0,0,0,0|0,0,2]=4 15264 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,2,0,0,0,0|1,0,0]=3 15265 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,2,0,0,0,0|1,0,0]=3 15266 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,2,0,0,0,0|0,0,0]=2 15267 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,2,0,0,0,0|0,0,0]=2 15268 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,2,0,0,0,0|1,0,0]=3 15269 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,2,0,0,0,0|1,0,0]=3 15270 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [0,2,0,0,0,0|2,0,0]=4 15271 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [0,2,0,0,0,0|2,0,0]=4 15272 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [0,2,0,0,0,0|2,0,0]=4 15273 B10R0.71 CCOCSCCCCC#N 62a_100000739092_100000211819 [0,2,0,0,0,0|1,0,1]=4 15274 B10R0.71 CCOCSCCCCC#N 62a_100011219923_100000739092 [0,2,0,0,0,0|1,0,1]=4 15275 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,2,0,0,0,0|0,0,2]=4 15276 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,2,0,0,0,0|0,0,2]=4 15277 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,2,0,0,0,0|1,0,0]=3 15278 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,2,0,0,0,0|1,0,0]=3 15279 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,2,0,0,0,0|0,0,0]=2 15280 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,2,0,0,0,0|0,0,0]=2 15281 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,2,0,0,0,0|1,0,0]=3 15282 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,2,0,0,0,0|1,0,0]=3 15283 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,2,0,0,0,0|1,0,0]=3 15284 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,2,0,0,0,0|1,0,0]=3 15285 B10R0.71 CCOCSCOCCOC 62a_100000231047_100000739092 [0,2,0,0,0,0|2,0,0]=4 15286 B10R0.71 CCOCSCOCCOC 62a_100000739092_100000231047 [0,2,0,0,0,0|2,0,0]=4 15287 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,2,0,0,0,0|1,0,0]=3 15288 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,2,0,0,0,0|1,0,0]=3 15289 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,2,0,0,0,0|0,0,0]=2 15290 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,2,0,0,0,0|0,0,0]=2 15291 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,2,0,0,0,0|0,0,0]=2 15292 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,2,0,0,0,0|0,0,0]=2 15293 B10R0.71 CCSCCCOCCC#N 7a_100011216438_100000184422 [0,2,0,0,0,0|1,0,1]=4 15294 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,2,0,0,0,0|1,0,0]=3 15295 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,2,0,0,0,0|1,0,0]=3 15296 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,2,0,0,0,0|0,0,0]=2 15297 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,2,0,0,0,0|0,0,0]=2 15298 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,2,0,0,0,0|1,0,0]=3 15299 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,2,0,0,0,0|1,0,0]=3 15300 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,2,0,0,0,0|1,0,0]=3 15301 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,2,0,0,0,0|1,0,0]=3 15302 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,2,0,0,0,0|1,1,0]=4 15303 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,2,0,0,0,0|1,1,0]=4 15304 B10R0.71 CCSCCNCC#CCO 2230a_100000106463_200000047223 [0,2,0,0,0,0|0,0,2]=4 15305 B10R0.71 CCSCCNCCCC#N 2230a_100000106463_100000687738 [0,2,0,0,0,0|1,0,1]=4 15306 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,2,0,0,0,0|0,0,2]=4 15307 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,2,0,0,0,0|1,0,0]=3 15308 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,2,0,0,0,0|0,0,0]=2 15309 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,2,0,0,0,0|0,0,0]=2 15310 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,2,0,0,0,0|0,0,0]=2 15311 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,2,0,0,0,0|1,0,0]=3 15312 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,2,0,0,0,0|1,0,0]=3 15313 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,2,0,0,0,0|1,1,0]=4 15314 B10R0.71 CCSCCNCCSCC 2230a_100000106463_100000757381 [0,2,0,0,0,0|2,0,0]=4 15315 B10R0.71 CCSCCOCC#CCO 34a_100000212035_200000047223 [0,2,0,0,0,0|0,0,2]=4 15316 B10R0.71 CCSCCOCC#CCO 7a_100000212035_200000047223 [0,2,0,0,0,0|0,0,2]=4 15317 B10R0.71 CCSCCOCCCC#N 7a_100000212035_100000687738 [0,2,0,0,0,0|1,0,1]=4 15318 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,2,0,0,0,0|0,0,2]=4 15319 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,2,0,0,0,0|1,0,0]=3 15320 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,2,0,0,0,0|1,0,0]=3 15321 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,2,0,0,0,0|1,0,0]=3 15322 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,2,0,0,0,0|1,0,0]=3 15323 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,2,0,0,0,0|1,0,0]=3 15324 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,2,0,0,0,0|1,0,0]=3 15325 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,2,0,0,0,0|1,0,0]=3 15326 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,2,0,0,0,0|1,0,0]=3 15327 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,2,0,0,0,0|1,0,0]=3 15328 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,2,0,0,0,0|0,0,0]=2 15329 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,2,0,0,0,0|0,0,0]=2 15330 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,2,0,0,0,0|2,0,0]=4 15331 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,2,0,0,0,0|1,0,0]=3 15332 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,2,0,0,0,0|1,0,0]=3 15333 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,2,0,0,0,0|1,0,0]=3 15334 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,2,0,0,0,0|1,1,0]=4 15335 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,2,0,0,0,0|1,1,0]=4 15336 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [0,2,0,0,0,0|2,0,0]=4 15337 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [0,2,0,0,0,0|2,0,0]=4 15338 B10R0.71 CCSCCSCC#CCO 62a_100000757381_200000047223 [0,2,0,0,0,0|0,0,2]=4 15339 B10R0.71 CCSCCSCC#CCO 62a_200000047223_100000757381 [0,2,0,0,0,0|0,0,2]=4 15340 B10R0.71 CCSCCSCCCC#N 62a_100000687738_100000757381 [0,2,0,0,0,0|1,0,1]=4 15341 B10R0.71 CCSCCSCCCC#N 62a_100000757381_100000687738 [0,2,0,0,0,0|1,0,1]=4 15342 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,2,0,0,0,0|0,0,2]=4 15343 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,2,0,0,0,0|0,0,2]=4 15344 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,2,0,0,0,0|1,0,0]=3 15345 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,2,0,0,0,0|1,0,0]=3 15346 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,2,0,0,0,0|0,0,0]=2 15347 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,2,0,0,0,0|0,0,0]=2 15348 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,2,0,0,0,0|1,0,0]=3 15349 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,2,0,0,0,0|1,0,0]=3 15350 B10R0.71 CCSCCSCCSCC 62a_100000757381_100000757381 [0,2,0,0,0,0|2,0,0]=4 15351 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,2,0,0,0,0|0,0,0]=2 15352 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,2,0,0,0,0|0,0,0]=2 15353 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,2,0,0,0,0|0,0,0]=2 15354 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,2,0,0,0,0|0,0,0]=2 15355 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,2,0,0,0,0|0,0,0]=2 15356 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,2,0,0,0,0|2,0,0]=4 15357 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,2,0,0,0,0|0,0,2]=4 15358 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,2,0,0,0,0|1,0,0]=3 15359 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,2,0,0,0,0|0,0,0]=2 15360 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,2,0,0,0,0|1,1,0]=4 15361 B10R0.71 CNCCCOCC#CCO 34a_100000213112_200000047223 [0,2,0,0,0,0|0,0,2]=4 15362 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,2,0,0,0,0|1,0,0]=3 15363 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,2,0,0,0,0|0,0,0]=2 15364 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,2,0,0,0,0|1,0,0]=3 15365 B10R0.71 CNCCOCCOCCF 34a_100000228057_100011217306 [0,2,0,0,0,0|2,0,0]=4 15366 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,2,0,0,0,0|1,0,0]=3 15367 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,2,0,0,0,0|1,0,0]=3 15368 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,2,0,0,0,0|1,0,0]=3 15369 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,2,0,0,0,0|1,0,0]=3 15370 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,2,0,0,0,0|1,0,0]=3 15371 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,2,0,0,0,0|1,0,0]=3 15372 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,2,0,0,0,0|0,0,0]=2 15373 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,2,0,0,0,0|0,0,0]=2 15374 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,2,0,0,0,0|0,0,0]=2 15375 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,2,0,0,0,0|0,0,0]=2 15376 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,2,0,0,0,0|0,0,0]=2 15377 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,2,0,0,0,0|0,0,0]=2 15378 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,2,0,0,0,0|1,0,0]=3 15379 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,2,0,0,0,0|1,0,0]=3 15380 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,2,0,0,0,0|1,0,0]=3 15381 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,2,0,0,0,0|1,0,0]=3 15382 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,2,0,0,0,0|1,0,1]=4 15383 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,2,0,0,0,0|0,0,2]=4 15384 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,2,0,0,0,0|0,0,2]=4 15385 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,2,0,0,0,0|1,0,0]=3 15386 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,2,0,0,0,0|1,0,0]=3 15387 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,2,0,0,0,0|1,0,0]=3 15388 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,2,0,0,0,0|0,0,0]=2 15389 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,2,0,0,0,0|0,0,0]=2 15390 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,2,0,0,0,0|1,0,0]=3 15391 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,2,0,0,0,0|1,0,0]=3 15392 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,2,0,0,0,0|1,0,0]=3 15393 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,2,0,0,0,0|1,0,0]=3 15394 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,2,0,0,0,0|1,0,0]=3 15395 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,2,0,0,0,0|1,0,0]=3 15396 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,2,0,0,0,0|1,0,0]=3 15397 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,2,0,0,0,0|1,0,0]=3 15398 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,2,0,0,0,0|1,0,0]=3 15399 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,2,0,0,0,0|1,0,0]=3 15400 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,2,0,0,0,0|1,0,0]=3 15401 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,2,0,0,0,0|1,0,0]=3 15402 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,2,0,0,0,0|0,0,0]=2 15403 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,2,0,0,0,0|1,0,0]=3 15404 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,2,0,0,0,0|1,0,0]=3 15405 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,2,0,0,0,0|1,0,0]=3 15406 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,2,0,0,0,0|1,0,0]=3 15407 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,2,0,0,0,0|1,0,0]=3 15408 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,2,0,0,0,0|1,0,0]=3 15409 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [0,2,0,0,0,0|1,0,1]=4 15410 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [0,2,0,0,0,0|1,0,1]=4 15411 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,2,0,0,0,0|1,0,0]=3 15412 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,2,0,0,0,0|1,0,0]=3 15413 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,2,0,0,0,0|0,0,0]=2 15414 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,2,0,0,0,0|0,0,0]=2 15415 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,2,0,0,0,0|1,0,0]=3 15416 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,2,0,0,0,0|1,0,0]=3 15417 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,2,0,0,0,0|1,0,0]=3 15418 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,2,0,0,0,0|1,0,0]=3 15419 B10R0.71 COCCCNCC#CCO 34a_100150723488_200000047223 [0,2,0,0,0,0|0,0,2]=4 15420 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,2,0,0,0,0|1,0,0]=3 15421 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,2,0,0,0,0|0,0,0]=2 15422 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,2,0,0,0,0|0,0,0]=2 15423 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,2,0,0,0,0|0,0,0]=2 15424 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,2,0,0,0,0|1,0,0]=3 15425 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,2,0,0,0,0|1,0,0]=3 15426 B10R0.71 COCCCOCC#CCO 34a_100000740835_200000047223 [0,2,0,0,0,0|0,0,2]=4 15427 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,2,0,0,0,0|1,0,0]=3 15428 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,2,0,0,0,0|1,0,0]=3 15429 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,2,0,0,0,0|1,0,0]=3 15430 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,2,0,0,0,0|1,0,0]=3 15431 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,2,0,0,0,0|1,0,0]=3 15432 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,2,0,0,0,0|1,0,0]=3 15433 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,2,0,0,0,0|1,0,0]=3 15434 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,2,0,0,0,0|1,0,0]=3 15435 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,2,0,0,0,0|0,0,0]=2 15436 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,2,0,0,0,0|1,0,0]=3 15437 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,2,0,0,0,0|1,0,0]=3 15438 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,2,0,0,0,0|1,0,0]=3 15439 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,2,0,0,0,0|1,0,0]=3 15440 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,2,0,0,0,0|1,0,0]=3 15441 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,2,0,0,0,0|1,0,0]=3 15442 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,2,0,0,0,0|1,0,0]=3 15443 B10R0.71 COCCCSCC#CCO 62a_100000709357_200000047223 [0,2,0,0,0,0|0,0,2]=4 15444 B10R0.71 COCCCSCC#CCO 62a_200000047223_100000709357 [0,2,0,0,0,0|0,0,2]=4 15445 B10R0.71 COCCCSCCCC#N 62a_100000687738_100000709357 [0,2,0,0,0,0|1,0,1]=4 15446 B10R0.71 COCCCSCCCC#N 62a_100000709357_100000687738 [0,2,0,0,0,0|1,0,1]=4 15447 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,2,0,0,0,0|0,0,2]=4 15448 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,2,0,0,0,0|0,0,2]=4 15449 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,2,0,0,0,0|1,0,0]=3 15450 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,2,0,0,0,0|1,0,0]=3 15451 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,2,0,0,0,0|0,0,0]=2 15452 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,2,0,0,0,0|0,0,0]=2 15453 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,2,0,0,0,0|1,0,0]=3 15454 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,2,0,0,0,0|1,0,1]=4 15455 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,2,0,0,0,0|0,0,2]=4 15456 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,2,0,0,0,0|1,0,0]=3 15457 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,2,0,0,0,0|0,0,0]=2 15458 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,2,0,0,0,0|0,0,0]=2 15459 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,2,0,0,0,0|0,0,0]=2 15460 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,2,0,0,0,0|1,0,0]=3 15461 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,2,0,0,0,0|1,0,0]=3 15462 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,2,0,0,0,0|1,0,0]=3 15463 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,2,0,0,0,0|1,0,0]=3 15464 B10R0.71 COCCNCOCCOC 2230a_100000209980_100000231047 [0,2,0,0,0,0|2,0,0]=4 15465 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,2,0,0,0,0|1,0,0]=3 15466 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,2,0,0,0,0|1,0,0]=3 15467 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,2,0,0,0,0|1,0,0]=3 15468 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,2,0,0,0,0|1,0,0]=3 15469 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,2,0,0,0,0|1,0,0]=3 15470 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,2,0,0,0,0|1,0,0]=3 15471 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,2,0,0,0,0|1,0,0]=3 15472 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,2,0,0,0,0|1,0,0]=3 15473 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,2,0,0,0,0|0,0,0]=2 15474 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,2,0,0,0,0|1,0,0]=3 15475 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,2,0,0,0,0|1,0,0]=3 15476 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [0,2,0,0,0,0|2,0,0]=4 15477 B10R0.71 COCCOCCCSCF 62a_100011216529_100015361967 [0,2,0,0,0,0|2,0,0]=4 15478 B10R0.71 COCCOCCCSCF 62a_100015361967_100011216529 [0,2,0,0,0,0|2,0,0]=4 15479 B10R0.71 COCCOCCNCCF 2230a_100000745349_100011217306 [0,2,0,0,0,0|2,0,0]=4 15480 B10R0.71 COCCOCCNCCF 34a_100000724931_100000695917 [0,2,0,0,0,0|2,0,0]=4 15481 B10R0.71 COCCOCCNCCF 34a_100000745349_100011217306 [0,2,0,0,0,0|2,0,0]=4 15482 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,2,0,0,0,0|1,0,0]=3 15483 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,2,0,0,0,0|1,0,0]=3 15484 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,2,0,0,0,0|1,0,0]=3 15485 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,2,0,0,0,0|1,0,0]=3 15486 B10R0.71 COCCOCCNCOC 2230a_100000745349_100000766300 [0,2,0,0,0,0|2,0,0]=4 15487 B10R0.71 COCCOCCNCSC 2230a_100000745349_100011218213 [0,2,0,0,0,0|2,0,0]=4 15488 B10R0.71 COCCOCCNCSC 34a_100000745349_100011218213 [0,2,0,0,0,0|2,0,0]=4 15489 B10R0.71 COCCOCCOCCBr 34a_100000211926_100000695917 [0,2,0,0,0,0|2,0,0]=4 15490 B10R0.71 COCCOCCOCCBr 34a_100000692535_100011201679 [0,2,0,0,0,0|2,0,0]=4 15491 B10R0.71 COCCOCCOCCBr 34a_100010132937_200000210301 [0,2,0,0,0,0|2,0,0]=4 15492 B10R0.71 COCCOCCOCCBr 7a_100000692535_100000233755 [0,2,0,0,0,0|2,0,0]=4 15493 B10R0.71 COCCOCCOCCBr 7a_100010132937_200000210301 [0,2,0,0,0,0|2,0,0]=4 15494 B10R0.71 COCCOCCOCCCl 34a_100000032323_200000210301 [0,2,0,0,0,0|2,0,0]=4 15495 B10R0.71 COCCOCCOCCCl 34a_100011215305_100011201679 [0,2,0,0,0,0|2,0,0]=4 15496 B10R0.71 COCCOCCOCCCl 7a_100000032323_200000210301 [0,2,0,0,0,0|2,0,0]=4 15497 B10R0.71 COCCOCCOCCCl 7a_100011215305_100000233755 [0,2,0,0,0,0|2,0,0]=4 15498 B10R0.71 COCCOCCOCCF 34a_100011215163_100011217306 [0,2,0,0,0,0|2,0,0]=4 15499 B10R0.71 COCCOCCOCCF 34a_200015357709_100011201679 [0,2,0,0,0,0|2,0,0]=4 15500 B10R0.71 COCCOCCOCCF 7a_100011215163_100011217306 [0,2,0,0,0,0|2,0,0]=4 15501 B10R0.71 COCCOCCOCCF 7a_200015357709_100000233755 [0,2,0,0,0,0|2,0,0]=4 15502 B10R0.71 COCCOCCOCCI 34a_100012149058_100011201679 [0,2,0,0,0,0|2,0,0]=4 15503 B10R0.71 COCCOCCOCCI 7a_100012149058_100000233755 [0,2,0,0,0,0|2,0,0]=4 15504 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [0,2,0,0,0,0|2,0,0]=4 15505 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [0,2,0,0,0,0|2,0,0]=4 15506 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [0,2,0,0,0,0|2,0,0]=4 15507 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,2,0,0,0,0|1,0,0]=3 15508 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,2,0,0,0,0|1,0,0]=3 15509 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,2,0,0,0,0|1,0,0]=3 15510 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,2,0,0,0,0|1,0,0]=3 15511 B10R0.71 COCCOCCOCSC 34a_100011215163_100011218213 [0,2,0,0,0,0|2,0,0]=4 15512 B10R0.71 COCCOCCSCCF 62a_100000695917_100011217306 [0,2,0,0,0,0|2,0,0]=4 15513 B10R0.71 COCCOCCSCCF 62a_100011217306_100000695917 [0,2,0,0,0,0|2,0,0]=4 15514 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,2,0,0,0,0|1,0,0]=3 15515 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,2,0,0,0,0|1,0,0]=3 15516 B10R0.71 COCCOCCSCOC 62a_100000695917_100000766300 [0,2,0,0,0,0|2,0,0]=4 15517 B10R0.71 COCCOCCSCOC 62a_100000766300_100000695917 [0,2,0,0,0,0|2,0,0]=4 15518 B10R0.71 COCCOCCSCSC 62a_100000695917_100011218213 [0,2,0,0,0,0|2,0,0]=4 15519 B10R0.71 COCCOCCSCSC 62a_100011218213_100000695917 [0,2,0,0,0,0|2,0,0]=4 15520 B10R0.71 COCCOCNCCCF 2230a_100015189416_100000231047 [0,2,0,0,0,0|2,0,0]=4 15521 B10R0.71 COCCOCNCCSC 2230a_100020590264_100000231047 [0,2,0,0,0,0|2,0,0]=4 15522 B10R0.71 COCCOCSCCCF 62a_100000231047_100011934791 [0,2,0,0,0,0|2,0,0]=4 15523 B10R0.71 COCCOCSCCCF 62a_100011934791_100000231047 [0,2,0,0,0,0|2,0,0]=4 15524 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,2,0,0,0,0|1,0,0]=3 15525 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,2,0,0,0,0|1,0,0]=3 15526 B10R0.71 COCCOCSCCOC 62a_100000231047_100000233755 [0,2,0,0,0,0|2,0,0]=4 15527 B10R0.71 COCCOCSCCOC 62a_100000233755_100000231047 [0,2,0,0,0,0|2,0,0]=4 15528 B10R0.71 COCCOCSCCSC 62a_100000212216_100000231047 [0,2,0,0,0,0|2,0,0]=4 15529 B10R0.71 COCCOCSCCSC 62a_100000231047_100000751147 [0,2,0,0,0,0|2,0,0]=4 15530 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,2,0,0,0,0|1,0,1]=4 15531 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,2,0,0,0,0|1,0,1]=4 15532 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,2,0,0,0,0|0,0,2]=4 15533 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,2,0,0,0,0|0,0,2]=4 15534 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,2,0,0,0,0|1,0,0]=3 15535 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,2,0,0,0,0|1,0,0]=3 15536 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,2,0,0,0,0|0,0,0]=2 15537 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,2,0,0,0,0|0,0,0]=2 15538 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,2,0,0,0,0|1,0,0]=3 15539 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,2,0,0,0,0|1,0,0]=3 15540 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,2,0,0,0,0|0,0,0]=2 15541 B10R0.71 COCSCCCCCC#N 62a_100000766300_100009813376 [0,2,0,0,0,0|1,0,1]=4 15542 B10R0.71 COCSCCCCCC#N 62a_100009813376_100000766300 [0,2,0,0,0,0|1,0,1]=4 15543 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,2,0,0,0,0|0,0,2]=4 15544 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,2,0,0,0,0|0,0,2]=4 15545 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,2,0,0,0,0|1,0,0]=3 15546 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,2,0,0,0,0|1,0,0]=3 15547 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,2,0,0,0,0|0,0,0]=2 15548 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,2,0,0,0,0|0,0,0]=2 15549 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,2,0,0,0,0|0,0,0]=2 15550 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,2,0,0,0,0|0,0,0]=2 15551 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,2,0,0,0,0|1,0,1]=4 15552 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,2,0,0,0,0|1,0,0]=3 15553 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,2,0,0,0,0|1,0,0]=3 15554 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,2,0,0,0,0|0,0,0]=2 15555 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,2,0,0,0,0|0,0,0]=2 15556 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,2,0,0,0,0|1,1,0]=4 15557 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,2,0,0,0,0|1,1,0]=4 15558 B10R0.71 CSCCCNCC#CCO 2230a_100000749238_200000047223 [0,2,0,0,0,0|0,0,2]=4 15559 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,2,0,0,0,0|1,0,1]=4 15560 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,2,0,0,0,0|0,0,2]=4 15561 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,2,0,0,0,0|1,0,0]=3 15562 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,2,0,0,0,0|0,0,0]=2 15563 B10R0.71 CSCCCOCC#CCO 34a_100000690336_200000047223 [0,2,0,0,0,0|0,0,2]=4 15564 B10R0.71 CSCCCOCC#CCO 7a_100000690336_200000047223 [0,2,0,0,0,0|0,0,2]=4 15565 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,2,0,0,0,0|1,0,1]=4 15566 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,2,0,0,0,0|0,0,2]=4 15567 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,2,0,0,0,0|1,0,0]=3 15568 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,2,0,0,0,0|1,0,0]=3 15569 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,2,0,0,0,0|0,0,0]=2 15570 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,2,0,0,0,0|0,0,0]=2 15571 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,2,0,0,0,0|1,0,1]=4 15572 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,2,0,0,0,0|0,0,2]=4 15573 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,2,0,0,0,0|1,0,0]=3 15574 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,2,0,0,0,0|0,0,0]=2 15575 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,2,0,0,0,0|0,0,0]=2 15576 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,2,0,0,0,0|0,0,0]=2 15577 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,2,0,0,0,0|1,0,0]=3 15578 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,2,0,0,0,0|1,0,0]=3 15579 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,2,0,0,0,0|1,0,0]=3 15580 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,2,0,0,0,0|1,0,0]=3 15581 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,2,0,0,0,0|1,0,1]=4 15582 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,2,0,0,0,0|0,0,2]=4 15583 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,2,0,0,0,0|1,0,0]=3 15584 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,2,0,0,0,0|1,0,0]=3 15585 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,2,0,0,0,0|1,0,0]=3 15586 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,2,0,0,0,0|1,0,0]=3 15587 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,2,0,0,0,0|1,0,0]=3 15588 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,2,0,0,0,0|1,0,0]=3 15589 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,2,0,0,0,0|1,0,0]=3 15590 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,2,0,0,0,0|1,0,0]=3 15591 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,2,0,0,0,0|1,0,0]=3 15592 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,2,0,0,0,0|0,0,0]=2 15593 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,2,0,0,0,0|0,0,0]=2 15594 B10R0.71 CSCCOCCOCCBr 34a_100000692535_100000212216 [0,2,0,0,0,0|2,0,0]=4 15595 B10R0.71 CSCCOCCOCCBr 7a_100000692535_100000212216 [0,2,0,0,0,0|2,0,0]=4 15596 B10R0.71 CSCCOCCOCCCl 34a_100011215305_100000212216 [0,2,0,0,0,0|2,0,0]=4 15597 B10R0.71 CSCCOCCOCCCl 7a_100011215305_100000212216 [0,2,0,0,0,0|2,0,0]=4 15598 B10R0.71 CSCCOCCOCCF 34a_200015357709_100000212216 [0,2,0,0,0,0|2,0,0]=4 15599 B10R0.71 CSCCOCCOCCF 7a_200015357709_100000212216 [0,2,0,0,0,0|2,0,0]=4 15600 B10R0.71 CSCCOCCOCCI 34a_100012149058_100000212216 [0,2,0,0,0,0|2,0,0]=4 15601 B10R0.71 CSCCOCCOCCI 7a_100012149058_100000212216 [0,2,0,0,0,0|2,0,0]=4 15602 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [0,2,0,0,0,0|2,0,0]=4 15603 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,2,0,0,0,0|1,0,0]=3 15604 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,2,0,0,0,0|1,0,0]=3 15605 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,2,0,0,0,0|1,0,0]=3 15606 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,2,0,0,0,0|1,0,0]=3 15607 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,2,0,0,0,0|1,0,1]=4 15608 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,2,0,0,0,0|1,0,1]=4 15609 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,2,0,0,0,0|0,0,2]=4 15610 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,2,0,0,0,0|0,0,2]=4 15611 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,2,0,0,0,0|1,0,0]=3 15612 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,2,0,0,0,0|1,0,0]=3 15613 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,2,0,0,0,0|0,0,0]=2 15614 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,2,0,0,0,0|0,0,0]=2 15615 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,2,0,0,0,0|1,0,0]=3 15616 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,2,0,0,0,0|1,0,0]=3 15617 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,2,0,0,0,0|0,0,0]=2 15618 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,2,0,0,0,0|0,0,0]=2 15619 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,2,0,0,0,0|1,0,0]=3 15620 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,2,0,0,0,0|1,0,0]=3 15621 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,2,0,0,0,0|1,0,0]=3 15622 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,2,0,0,0,0|1,0,0]=3 15623 B10R0.71 CSCSCCCCCC#N 62a_100009813376_100011218213 [0,2,0,0,0,0|1,0,1]=4 15624 B10R0.71 CSCSCCCCCC#N 62a_100011218213_100009813376 [0,2,0,0,0,0|1,0,1]=4 15625 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,2,0,0,0,0|0,0,2]=4 15626 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,2,0,0,0,0|0,0,2]=4 15627 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,2,0,0,0,0|1,0,0]=3 15628 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,2,0,0,0,0|1,0,0]=3 15629 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,2,0,0,0,0|0,0,0]=2 15630 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,2,0,0,0,0|0,0,0]=2 15631 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,2,0,0,0,0|1,0,0]=3 15632 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,2,0,0,0,0|1,0,0]=3 15633 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,2,0,0,0,0|1,0,0]=3 15634 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,2,0,0,0,0|1,0,0]=3 15635 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,2,0,0,0,0|1,0,0]=3 15636 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,2,0,0,0,0|1,0,0]=3 15637 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,2,0,0,0,0|1,0,0]=3 15638 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,2,0,0,0,0|1,0,0]=3 15639 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,2,0,0,0,0|1,0,0]=3 15640 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,2,0,0,0,0|1,0,0]=3 15641 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,2,0,0,0,0|1,0,0]=3 15642 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,2,0,0,0,0|1,0,0]=3 15643 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,2,0,0,0,0|1,0,0]=3 15644 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,2,0,0,0,0|1,0,0]=3 15645 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,2,0,0,0,0|1,0,0]=3 15646 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,2,0,0,0,0|1,0,0]=3 15647 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,2,0,0,0,0|1,0,0]=3 15648 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,2,0,0,0,0|1,0,0]=3 15649 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,2,0,0,0,0|1,0,0]=3 15650 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [0,2,0,0,0,0|1,0,0]=3 15651 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,2,0,0,0,0|1,0,0]=3 15652 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,2,0,0,0,0|1,0,0]=3 15653 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,2,0,0,0,0|1,0,0]=3 15654 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,2,0,0,0,0|1,0,0]=3 15655 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,2,0,0,0,0|1,0,0]=3 15656 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,2,0,0,0,0|1,0,0]=3 15657 B10R0.71 FCCCOCCOCCBr 34a_100000692535_100011934791 [0,2,0,0,0,0|2,0,0]=4 15658 B10R0.71 FCCCOCCOCCBr 7a_100000692535_100011934791 [0,2,0,0,0,0|2,0,0]=4 15659 B10R0.71 FCCCOCCOCCCl 34a_100011215305_100011934791 [0,2,0,0,0,0|2,0,0]=4 15660 B10R0.71 FCCCOCCOCCCl 7a_100011215305_100011934791 [0,2,0,0,0,0|2,0,0]=4 15661 B10R0.71 FCCCOCCOCCF 34a_200015357709_100011934791 [0,2,0,0,0,0|2,0,0]=4 15662 B10R0.71 FCCCOCCOCCF 7a_200015357709_100011934791 [0,2,0,0,0,0|2,0,0]=4 15663 B10R0.71 FCCCOCCOCCI 34a_100012149058_100011934791 [0,2,0,0,0,0|2,0,0]=4 15664 B10R0.71 FCCCOCCOCCI 7a_100012149058_100011934791 [0,2,0,0,0,0|2,0,0]=4 15665 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,2,0,0,0,0|1,0,0]=3 15666 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,2,0,0,0,0|1,0,0]=3 15667 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,2,0,0,0,0|1,0,0]=3 15668 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,2,0,0,0,0|1,0,0]=3 15669 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,2,0,0,0,0|1,0,0]=3 15670 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,2,0,0,0,0|1,0,0]=3 15671 B10R0.71 N#CCCCCCCSCF 62a_100009813337_100015361967 [0,2,0,0,0,0|1,0,1]=4 15672 B10R0.71 N#CCCCCCCSCF 62a_100015361967_100009813337 [0,2,0,0,0,0|1,0,1]=4 15673 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,2,0,0,0,0|0,0,1]=3 15674 B10R0.71 N#CCCCCCSCCF 62a_100009813376_100011217306 [0,2,0,0,0,0|1,0,1]=4 15675 B10R0.71 N#CCCCCCSCCF 62a_100011217306_100009813376 [0,2,0,0,0,0|1,0,1]=4 15676 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,2,0,0,0,0|0,0,1]=3 15677 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,2,0,0,0,0|0,0,1]=3 15678 B10R0.71 N#CCCCCNCCCF 2230a_100015189416_100000211819 [0,2,0,0,0,0|1,0,1]=4 15679 B10R0.71 N#CCCCCSCCCF 62a_100011219923_100011934791 [0,2,0,0,0,0|1,0,1]=4 15680 B10R0.71 N#CCCCCSCCCF 62a_100011934791_100000211819 [0,2,0,0,0,0|1,0,1]=4 15681 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,2,0,0,0,0|0,0,1]=3 15682 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,2,0,0,0,0|0,0,1]=3 15683 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [0,2,0,0,0,0|0,0,1]=3 15684 B10R0.71 N#CCCCOCCCCCl 7a_100000210776_100000687738 [0,2,0,0,0,0|1,0,1]=4 15685 B10R0.71 N#CCCCOCCCCF 7a_100011995726_100000687738 [0,2,0,0,0,0|1,0,1]=4 15686 B10R0.71 N#CCCCSCCCCF 62a_100000687738_100000729493 [0,2,0,0,0,0|1,0,1]=4 15687 B10R0.71 N#CCCCSCCCCF 62a_100000729493_100000687738 [0,2,0,0,0,0|1,0,1]=4 15688 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [0,2,0,0,0,0|0,0,1]=3 15689 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [0,2,0,0,0,0|0,0,1]=3 15690 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,2,0,0,0,0|0,0,1]=3 15691 B10R0.71 N#CCCNCCOCCO 2230a_100000211614_100011215226 [0,2,0,0,0,0|1,0,1]=4 15692 B10R0.71 N#CCCNCCSCCO 2230a_100011219999_100011215226 [0,2,0,0,0,0|1,0,1]=4 15693 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,2,0,0,0,0|1,0,1]=4 15694 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,2,0,0,0,0|1,0,1]=4 15695 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,2,0,0,0,0|1,0,1]=4 15696 B10R0.71 N#CCCSCCCCCF 62a_100000729378_100011215226 [0,2,0,0,0,0|1,0,1]=4 15697 B10R0.71 N#CCCSCCCCCF 62a_100011215226_100000729378 [0,2,0,0,0,0|1,0,1]=4 15698 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,2,0,0,0,0|0,0,1]=3 15699 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,2,0,0,0,0|0,0,1]=3 15700 B10R0.71 N#CCCSCCOCCO 62a_100011215226_100011215305 [0,2,0,0,0,0|1,0,1]=4 15701 B10R0.71 N#CCCSCCOCCO 62a_100011215305_100011215226 [0,2,0,0,0,0|1,0,1]=4 15702 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,2,0,0,0,0|0,0,1]=3 15703 B10R0.71 N#CCOCCCCCCBr 7a_100011215345_100011215382 [0,2,0,0,0,0|1,0,1]=4 15704 B10R0.71 N#CCOCCCCCCCl 7a_100000766143_100011215382 [0,2,0,0,0,0|1,0,1]=4 15705 B10R0.71 N#CCOCCCCCCF 7a_100000732779_100011215382 [0,2,0,0,0,0|1,0,1]=4 15706 B10R0.71 N#CCOCCSCCCO 62a_100011215043_200000047693 [0,2,0,0,0,0|1,0,1]=4 15707 B10R0.71 N#CCOCCSCCCO 62a_200000047693_100011215043 [0,2,0,0,0,0|1,0,1]=4 15708 B10R0.71 N#CCSCCCCCCF 62a_100011215382_100015922095 [0,2,0,0,0,0|1,0,1]=4 15709 B10R0.71 N#CCSCCCCCCF 62a_100015922095_100011215382 [0,2,0,0,0,0|1,0,1]=4 15710 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [0,2,0,0,0,0|0,0,1]=3 15711 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [0,2,0,0,0,0|0,0,1]=3 15712 B10R0.71 N#CSCCSCCCCO 62a_100000034367_100000210776 [0,2,0,0,0,0|1,0,1]=4 15713 B10R0.71 N#CSCCSCCCCO 62a_100000210776_100000034367 [0,2,0,0,0,0|1,0,1]=4 15714 B10R0.71 N#CSCSCCCCCO 62a_100000211825_100000746330 [0,2,0,0,0,0|1,0,1]=4 15715 B10R0.71 N#CSCSCCCCCO 62a_100000746330_100000211825 [0,2,0,0,0,0|1,0,1]=4 15716 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,2,0,0,0,0|1,0,0]=3 15717 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,2,0,0,0,0|0,0,2]=4 15718 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,2,0,0,0,0|1,0,0]=3 15719 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,2,0,0,0,0|0,0,0]=2 15720 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,2,0,0,0,0|1,0,0]=3 15721 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,2,0,0,0,0|0,0,0]=2 15722 B10R0.71 NCCCCOCC#CCO 34a_100000750430_200000047223 [0,2,0,0,0,0|0,0,2]=4 15723 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,2,0,0,0,0|1,0,0]=3 15724 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,2,0,0,0,0|0,0,0]=2 15725 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,2,0,0,0,0|1,0,0]=3 15726 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,2,0,0,0,0|0,0,0]=2 15727 B10R0.71 NCCCOCCCOCF 34a_100011310245_100015361967 [0,2,0,0,0,0|2,0,0]=4 15728 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,2,0,0,0,0|1,0,0]=3 15729 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,2,0,0,0,0|1,0,0]=3 15730 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,2,0,0,0,0|0,0,0]=2 15731 B10R0.71 NCCOCCOCCCF 34a_100000211614_100011934791 [0,2,0,0,0,0|2,0,0]=4 15732 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,2,0,0,0,0|1,0,0]=3 15733 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,2,0,0,0,0|1,0,0]=3 15734 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,2,0,0,0,0|1,0,0]=3 15735 B10R0.71 NOCCOCCOCCO 34a_100000700252_100000692535 [0,2,0,0,0,0|2,0,0]=4 15736 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,2,0,0,0,0|0,0,1]=3 15737 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,2,0,0,0,0|0,0,2]=4 15738 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,2,0,0,0,0|0,0,2]=4 15739 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,2,0,0,0,0|0,0,1]=3 15740 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,2,0,0,0,0|0,0,1]=3 15741 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,2,0,0,0,0|0,0,2]=4 15742 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,2,0,0,0,0|0,0,2]=4 15743 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,2,0,0,0,0|0,0,2]=4 15744 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,2,0,0,0,0|0,0,1]=3 15745 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,2,0,0,0,0|0,0,1]=3 15746 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,2,0,0,0,0|0,0,1]=3 15747 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,2,0,0,0,0|0,0,2]=4 15748 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,2,0,0,0,0|0,0,2]=4 15749 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,2,0,0,0,0|0,0,2]=4 15750 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,2,0,0,0,0|0,0,2]=4 15751 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,2,0,0,0,0|0,0,1]=3 15752 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,2,0,0,0,0|0,0,1]=3 15753 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,2,0,0,0,0|0,0,1]=3 15754 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,2,0,0,0,0|0,0,1]=3 15755 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,2,0,0,0,0|0,0,2]=4 15756 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,2,0,0,0,0|0,0,2]=4 15757 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,2,0,0,0,0|0,0,2]=4 15758 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,2,0,0,0,0|0,0,2]=4 15759 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,2,0,0,0,0|0,0,2]=4 15760 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,2,0,0,0,0|0,0,2]=4 15761 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,2,0,0,0,0|0,0,2]=4 15762 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,2,0,0,0,0|0,0,2]=4 15763 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,2,0,0,0,0|0,0,1]=3 15764 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,2,0,0,0,0|0,0,1]=3 15765 B10R0.71 OCC#CCNCCCCO 2230a_100000750430_200000047223 [0,2,0,0,0,0|0,0,2]=4 15766 B10R0.71 OCC#CCNCCCCO 34a_100000750430_200000047223 [0,2,0,0,0,0|0,0,2]=4 15767 B10R0.71 OCC#CCOCCCCBr 34a_100011216708_200000047223 [0,2,0,0,0,0|0,0,2]=4 15768 B10R0.71 OCC#CCOCCCCCl 34a_100000210776_200000047223 [0,2,0,0,0,0|0,0,2]=4 15769 B10R0.71 OCC#CCOCCCCCl 7a_100000210776_200000047223 [0,2,0,0,0,0|0,0,2]=4 15770 B10R0.71 OCC#CCOCCCCF 34a_100011995726_200000047223 [0,2,0,0,0,0|0,0,2]=4 15771 B10R0.71 OCC#CCOCCCCF 7a_100011995726_200000047223 [0,2,0,0,0,0|0,0,2]=4 15772 B10R0.71 OCC#CCOCCCCI 34a_200012148704_200000047223 [0,2,0,0,0,0|0,0,2]=4 15773 B10R0.71 OCC#CCSCCCCF 62a_100000729493_200000047223 [0,2,0,0,0,0|0,0,2]=4 15774 B10R0.71 OCC#CCSCCCCF 62a_200000047223_100000729493 [0,2,0,0,0,0|0,0,2]=4 15775 B10R0.71 OCC#CCSCCCCO 62a_100000210776_200000047223 [0,2,0,0,0,0|0,0,2]=4 15776 B10R0.71 OCC#CCSCCCCO 62a_200000047223_100000210776 [0,2,0,0,0,0|0,0,2]=4 15777 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,2,0,0,0,0|1,0,1]=4 15778 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,2,0,0,0,0|0,0,0]=2 15779 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,2,0,0,0,0|0,0,0]=2 15780 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,2,0,0,0,0|0,0,0]=2 15781 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,2,0,0,0,0|0,0,0]=2 15782 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,2,0,0,0,0|0,0,0]=2 15783 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,2,0,0,0,0|0,0,0]=2 15784 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,2,0,0,0,0|0,0,0]=2 15785 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,2,0,0,0,0|0,0,0]=2 15786 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,2,0,0,0,0|0,0,0]=2 15787 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,2,0,0,0,0|0,0,0]=2 15788 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,2,0,0,0,0|0,0,0]=2 15789 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,2,0,0,0,0|0,0,0]=2 15790 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,2,0,0,0,0|0,0,0]=2 15791 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,2,0,0,0,0|0,0,0]=2 15792 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,2,0,0,0,0|0,0,0]=2 15793 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,2,0,0,0,0|0,0,0]=2 15794 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,2,0,0,0,0|0,0,0]=2 15795 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,2,0,0,0,0|0,0,0]=2 15796 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,2,0,0,0,0|0,0,0]=2 15797 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,2,0,0,0,0|0,0,0]=2 15798 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,2,0,0,0,0|0,0,0]=2 15799 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,2,0,0,0,0|0,0,0]=2 15800 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,2,0,0,0,0|0,0,0]=2 15801 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,2,0,0,0,0|0,0,0]=2 15802 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,2,0,0,0,0|0,0,0]=2 15803 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,2,0,0,0,0|0,0,0]=2 15804 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,2,0,0,0,0|0,0,0]=2 15805 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,2,0,0,0,0|0,0,0]=2 15806 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,2,0,0,0,0|0,0,0]=2 15807 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,2,0,0,0,0|0,0,0]=2 15808 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,2,0,0,0,0|0,0,0]=2 15809 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,2,0,0,0,0|0,0,0]=2 15810 B10R0.71 OCCCCOCC#CCCl 34a_200000047223_100011216708 [0,2,0,0,0,0|0,0,2]=4 15811 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,2,0,0,0,0|0,0,0]=2 15812 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,2,0,0,0,0|0,0,0]=2 15813 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,2,0,0,0,0|0,0,0]=2 15814 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,2,0,0,0,0|0,0,0]=2 15815 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,2,0,0,0,0|0,0,0]=2 15816 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,2,0,0,0,0|0,0,0]=2 15817 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,2,0,0,0,0|0,0,0]=2 15818 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,2,0,0,0,0|0,0,0]=2 15819 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,2,0,0,0,0|0,0,0]=2 15820 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,2,0,0,0,0|1,0,0]=3 15821 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,2,0,0,0,0|1,0,0]=3 15822 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,2,0,0,0,0|1,0,0]=3 15823 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,2,0,0,0,0|0,0,0]=2 15824 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,2,0,0,0,0|0,0,0]=2 15825 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,2,0,0,0,0|0,0,0]=2 15826 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,2,0,0,0,0|0,0,0]=2 15827 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,2,0,0,0,0|0,0,0]=2 15828 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,2,0,0,0,0|0,0,0]=2 15829 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,2,0,0,0,0|1,0,0]=3 15830 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,2,0,0,0,0|1,0,0]=3 15831 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,2,0,0,0,0|1,0,0]=3 15832 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,2,0,0,0,0|1,0,0]=3 15833 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,2,0,0,0,0|1,0,0]=3 15834 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,2,0,0,0,0|1,0,0]=3 15835 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,2,0,0,0,0|1,0,0]=3 15836 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,2,0,0,0,0|1,0,0]=3 15837 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,2,0,0,0,0|1,0,0]=3 15838 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,2,0,0,0,0|0,0,0]=2 15839 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,2,0,0,0,0|0,0,0]=2 15840 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,2,0,0,0,0|1,0,0]=3 15841 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,2,0,0,0,0|1,0,0]=3 15842 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,2,0,0,0,0|0,0,0]=2 15843 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,2,0,0,0,0|0,0,0]=2 15844 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,2,0,0,0,0|0,0,0]=2 15845 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,2,0,0,0,0|0,0,0]=2 15846 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,2,0,0,0,0|0,0,0]=2 15847 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,2,0,0,0,0|0,0,0]=2 15848 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,2,0,0,0,0|0,0,0]=2 15849 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,2,0,0,0,0|0,0,0]=2 15850 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,2,0,0,0,0|1,0,0]=3 15851 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,2,0,0,0,0|1,0,0]=3 15852 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,2,0,0,0,0|1,0,0]=3 15853 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,2,0,0,0,0|1,0,0]=3 15854 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,2,0,0,0,0|1,0,0]=3 15855 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,2,0,0,0,0|1,0,0]=3 15856 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,2,0,0,0,0|1,0,0]=3 15857 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,2,0,0,0,0|1,0,0]=3 15858 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,2,0,0,0,0|1,0,0]=3 15859 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,2,0,0,0,0|0,0,0]=2 15860 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,2,0,0,0,0|0,0,0]=2 15861 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,2,0,0,0,0|1,0,0]=3 15862 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,2,0,0,0,0|0,0,0]=2 15863 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,2,0,0,0,0|0,0,0]=2 15864 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,2,0,0,0,0|2,0,0]=4 15865 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,2,0,0,0,0|1,0,0]=3 15866 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,2,0,0,0,0|1,0,0]=3 15867 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,2,0,0,0,0|0,0,0]=2 15868 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,2,0,0,0,0|0,0,0]=2 15869 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,2,0,0,0,0|0,0,0]=2 15870 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,2,0,0,0,0|0,0,0]=2 15871 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,2,0,0,0,0|0,0,0]=2 15872 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,2,0,0,0,0|1,0,0]=3 15873 B10R0.71 [13CH3]OCCOCCOCCBr 34a_100010132937_200025704644 [0,2,0,0,0,0|2,0,0]=4 15874 B10R0.71 [13CH3]OCCOCCOCCBr 7a_100010132937_200025704644 [0,2,0,0,0,0|2,0,0]=4 15875 B10R0.71 [13CH3]OCCOCCOCCCl 34a_100000032323_200025704644 [0,2,0,0,0,0|2,0,0]=4 15876 B10R0.71 [13CH3]OCCOCCOCCCl 7a_100000032323_200025704644 [0,2,0,0,0,0|2,0,0]=4 15877 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [0,2,0,0,0,0|2,0,0]=4 15878 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,2,0,0,0,0|0,0,0]=2 15879 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,2,0,0,0,0|0,0,0]=2 15880 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,2,0,0,0,0|1,0,0]=3 15881 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,2,0,0,0,0|1,0,0]=3 15882 B10R0.71 [N-]=[N+]=NCCCCNCCO 2230a_100000101370_100000211926 [0,2,0,0,0,0|2,0,0]=4 15883 B10R0.71 [N-]=[N+]=NCCCNCCCO 2230a_100000744732_100000230001 [0,2,0,0,0,0|2,0,0]=4 15884 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [0,2,0,0,0,0|2,0,0]=4 15885 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [0,2,0,0,0,0|2,0,0]=4 15886 B10R0.41 C#CC(CC)OCCCCF 34a_100000758843_100000729493 [0,2,0,0,0,0|2,0,0]=4 15887 B10R0.41 C#CC(CC)OCCCCF 7a_100000758843_100000729493 [0,2,0,0,0,0|2,0,0]=4 15888 B10R0.41 C#CC(CC)OCCCCO 34a_100000758843_100011216708 [0,2,0,0,0,0|1,0,0]=3 15889 B10R0.41 C#CC(CC)OCCCCO 7a_100000758843_100000210776 [0,2,0,0,0,0|1,0,0]=3 15890 B10R0.41 C#CC(CCCCCBr)OC 34a_200010408556_200000210301 [0,2,0,0,0,0|2,0,0]=4 15891 B10R0.41 C#CC(CCCCCBr)OC 7a_200010408556_200000210301 [0,2,0,0,0,0|2,0,0]=4 15892 B10R0.41 C#CC(CCCCCBr)O[13CH3] 34a_200010408556_200025704644 [0,2,0,0,0,0|2,0,0]=4 15893 B10R0.41 C#CC(CCCCCBr)O[13CH3] 7a_200010408556_200025704644 [0,2,0,0,0,0|2,0,0]=4 15894 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,2,0,0,0,0|2,0,0]=4 15895 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,2,0,0,0,0|2,0,0]=4 15896 B10R0.41 C=CC(CC)OCCCCF 34a_100000766422_100000729493 [0,2,0,0,0,0|2,0,0]=4 15897 B10R0.41 C=CC(CC)OCCCCF 7a_100000766422_100000729493 [0,2,0,0,0,0|2,0,0]=4 15898 B10R0.41 C=CC(CC)OCCCCO 34a_100000766422_100011216708 [0,2,0,0,0,0|1,0,0]=3 15899 B10R0.41 C=CC(CC)OCCCCO 7a_100000766422_100000210776 [0,2,0,0,0,0|1,0,0]=3 15900 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 15901 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 15902 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 15903 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 15904 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,2,0,0,0,0|1,0,0]=3 15905 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,0]=3 15906 B10R0.41 C=C[C@@H](CO)NCCCCF 2230a_100016989147_100000729493 [0,2,0,0,0,0|2,0,0]=4 15907 B10R0.41 C=C[C@@H](CO)NCCCCF 34a_100016989147_100000729493 [0,2,0,0,0,0|2,0,0]=4 15908 B10R0.41 C=C[C@@H](CO)NCCCCO 2230a_100016989147_100000210776 [0,2,0,0,0,0|2,0,0]=4 15909 B10R0.41 C=C[C@@H](CO)NCCCCO 34a_100016989147_100011216708 [0,2,0,0,0,0|2,0,0]=4 15910 B10R0.41 C=C[C@@H](CO)NCCCOC 2230a_100016989147_100000740836 [0,2,0,0,0,0|2,0,0]=4 15911 B10R0.41 C=C[C@@H](CO)NCCCOC 34a_100016989147_100000740836 [0,2,0,0,0,0|2,0,0]=4 15912 B10R0.41 C=C[C@@H](CO)NCCOCC 2230a_100016989147_100011215890 [0,2,0,0,0,0|2,0,0]=4 15913 B10R0.41 C=C[C@@H](CO)NCCOCC 34a_100016989147_100000210147 [0,2,0,0,0,0|2,0,0]=4 15914 B10R0.41 C=C[C@@H](CO)NCCSCC 2230a_100016989147_100000757381 [0,2,0,0,0,0|2,0,0]=4 15915 B10R0.41 C=C[C@@H](CO)NCCSCC 34a_100016989147_100000757381 [0,2,0,0,0,0|2,0,0]=4 15916 B10R0.41 CCC(CC)CNCCCF 2230a_100015189416_100011215472 [0,2,0,0,0,0|2,0,0]=4 15917 B10R0.41 CCC(CC)CNCCCF 2230a_100102946423_100011934791 [0,2,0,0,0,0|2,0,0]=4 15918 B10R0.41 CCC(CC)CNCCCF 269862a_100015189416_100000211137 [0,2,0,0,0,0|2,0,0]=4 15919 B10R0.41 CCC(CC)CNCCCF 270004a_100015189416_100000211137 [0,2,0,0,0,0|2,0,0]=4 15920 B10R0.41 CCC(CC)CNCCCF 34a_100015189416_100011215472 [0,2,0,0,0,0|2,0,0]=4 15921 B10R0.41 CCC(CC)CNCCCO 2230a_100102946423_100000230001 [0,2,0,0,0,0|1,0,0]=3 15922 B10R0.41 CCC(CC)CNCCCO 269862a_100000182051_100000211137 [0,2,0,0,0,0|1,0,0]=3 15923 B10R0.41 CCC(CC)CNCCCO 270004a_100000182051_100000211137 [0,2,0,0,0,0|1,0,0]=3 15924 B10R0.41 CCC(CC)COCCCBr 34a_100011217188_100011215472 [0,2,0,0,0,0|2,0,0]=4 15925 B10R0.41 CCC(CC)COCCCCl 34a_100000230001_100011215472 [0,2,0,0,0,0|2,0,0]=4 15926 B10R0.41 CCC(CC)COCCCF 34a_100000759539_100011215472 [0,2,0,0,0,0|2,0,0]=4 15927 B10R0.41 CCC(CC)COCCCF 7a_100000703878_100011934791 [0,2,0,0,0,0|2,0,0]=4 15928 B10R0.41 CCC(CC)COCCCN 34a_100000182051_100011215472 [0,2,0,0,0,0|2,0,0]=4 15929 B10R0.41 CCC(CC)COCCCO 7a_100000703878_100011215043 [0,2,0,0,0,0|1,0,0]=3 15930 B10R0.41 CCC(CC)CSCCCF 62a_100011215472_100011934791 [0,2,0,0,0,0|2,0,0]=4 15931 B10R0.41 CCC(CC)CSCCCF 62a_100011934791_100011215472 [0,2,0,0,0,0|2,0,0]=4 15932 B10R0.41 CCC(CC)CSCCCO 62a_100011215043_100011215472 [0,2,0,0,0,0|1,0,0]=3 15933 B10R0.41 CCC(CC)CSCCCO 62a_100011215472_100011215043 [0,2,0,0,0,0|1,0,0]=3 15934 B10R0.41 CCC(CC)NCCCCF 2230a_100000199018_100000729493 [0,2,0,0,0,0|2,0,0]=4 15935 B10R0.41 CCC(CC)NCCCCO 2230a_100000199018_100000210776 [0,2,0,0,0,0|1,0,0]=3 15936 B10R0.41 CCC(CC)NCCCCO 270004a_100000750430_100000210860 [0,2,0,0,0,0|1,0,0]=3 15937 B10R0.41 CCC(CC)OCCCCCl 7a_100000210776_100000210505 [0,2,0,0,0,0|2,0,0]=4 15938 B10R0.41 CCC(CC)OCCCCF 7a_100000688536_100000729493 [0,2,0,0,0,0|2,0,0]=4 15939 B10R0.41 CCC(CC)OCCCCF 7a_100011995726_100000210505 [0,2,0,0,0,0|2,0,0]=4 15940 B10R0.41 CCC(CC)OCCCCO 7a_100000688536_100000210776 [0,2,0,0,0,0|1,0,0]=3 15941 B10R0.41 CCC(CC)SCCCCF 62a_100000210505_100000729493 [0,2,0,0,0,0|2,0,0]=4 15942 B10R0.41 CCC(CC)SCCCCF 62a_100000729493_100000210505 [0,2,0,0,0,0|2,0,0]=4 15943 B10R0.41 CCC(CC)SCCCCO 62a_100000210505_100000210776 [0,2,0,0,0,0|1,0,0]=3 15944 B10R0.41 CCC(CC)SCCCCO 62a_100000210776_100000210505 [0,2,0,0,0,0|1,0,0]=3 15945 B10R0.41 CCC(COCCCF)OC 34a_100011934954_100011934791 [0,2,0,0,0,0|2,0,0]=4 15946 B10R0.41 CCC(COCCCF)OC 7a_100011934954_100011934791 [0,2,0,0,0,0|2,0,0]=4 15947 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [0,2,0,0,0,0|1,0,0]=3 15948 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [0,2,0,0,0,0|1,0,0]=3 15949 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,2,0,0,0,0|1,0,0]=3 15950 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|1,0,0]=3 15951 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|1,0,0]=3 15952 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|1,0,0]=3 15953 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|1,0,0]=3 15954 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [0,2,0,0,0,0|2,0,0]=4 15955 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [0,2,0,0,0,0|2,0,0]=4 15956 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [0,2,0,0,0,0|2,0,0]=4 15957 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [0,2,0,0,0,0|2,0,0]=4 15958 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [0,2,0,0,0,0|2,0,0]=4 15959 B10R0.41 CCCCCNC(CO)CO 2230a_100000759517_100000210326 [0,2,0,0,0,0|1,0,0]=3 15960 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,2,0,0,0,0|1,0,0]=3 15961 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [0,2,0,0,0,0|2,0,0]=4 15962 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [0,2,0,0,0,0|2,0,0]=4 15963 B10R0.41 CCCCCOC(CCl)CCl 7a_100000737055_100000210326 [0,2,0,0,0,0|2,0,0]=4 15964 B10R0.41 CCCCCOC(CF)CF 34a_100000032261_100000718602 [0,2,0,0,0,0|2,0,0]=4 15965 B10R0.41 CCCCCOC(CF)CF 7a_100000032261_100000210326 [0,2,0,0,0,0|2,0,0]=4 15966 B10R0.41 CCCCCOC(CN)CN 34a_100000031598_100000718602 [0,2,0,0,0,0|2,0,0]=4 15967 B10R0.41 CCCCCO[C@@H](CF)CCl 34a_100015614560_100000718602 [0,2,0,0,0,0|2,0,0]=4 15968 B10R0.41 CCCCCO[C@@H](CF)CCl 7a_100015614560_100000210326 [0,2,0,0,0,0|2,0,0]=4 15969 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [0,2,0,0,0,0|2,0,0]=4 15970 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [0,2,0,0,0,0|2,0,0]=4 15971 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [0,2,0,0,0,0|2,0,0]=4 15972 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [0,2,0,0,0,0|2,0,0]=4 15973 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [0,2,0,0,0,0|2,0,0]=4 15974 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [0,2,0,0,0,0|2,0,0]=4 15975 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [0,2,0,0,0,0|2,0,0]=4 15976 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [0,2,0,0,0,0|2,0,0]=4 15977 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [0,2,0,0,0,0|2,0,0]=4 15978 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [0,2,0,0,0,0|2,0,0]=4 15979 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,2,0,0,0,0|2,0,0]=4 15980 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,2,0,0,0,0|2,0,0]=4 15981 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [0,2,0,0,0,0|2,0,0]=4 15982 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [0,2,0,0,0,0|2,0,0]=4 15983 B10R0.41 CCN(CC)CCCCCF 2230a_100000724800_100000729378 [0,2,0,0,0,0|2,0,0]=4 15984 B10R0.41 CCN(CC)CCCCCF 269956a_100000042499_100000729378 [0,2,0,0,0,0|2,0,0]=4 15985 B10R0.41 CCN(CC)CCCCCF 269982a_100000724800_100000729378 [0,2,0,0,0,0|2,0,0]=4 15986 B10R0.41 CCN(CC)CCCCCO 2230a_100000724800_100000746330 [0,2,0,0,0,0|1,0,0]=3 15987 B10R0.41 CCN(CC)CCCCCO 269956a_100000042499_100000746330 [0,2,0,0,0,0|1,0,0]=3 15988 B10R0.41 CCN(CC)CCCCCO 269982a_100000724800_100000746330 [0,2,0,0,0,0|1,0,0]=3 15989 B10R0.41 CCN(CC)CCNCCO 2230a_100015382049_100000211926 [0,2,0,0,0,0|2,0,0]=4 15990 B10R0.41 CCN(CC)CCNCCO 2230a_100016997473_100000700428 [0,2,0,0,0,0|2,0,0]=4 15991 B10R0.41 CCN(CC)CCOCCO 2230a_100000724800_100011215305 [0,2,0,0,0,0|2,0,0]=4 15992 B10R0.41 CCN(CC)CCOCCO 269956a_100000042499_100011215305 [0,2,0,0,0,0|2,0,0]=4 15993 B10R0.41 CCN(CC)CCOCCO 269982a_100000724800_100011215305 [0,2,0,0,0,0|2,0,0]=4 15994 B10R0.41 CCN(CC)CCOCCO 7a_100016990331_100000211926 [0,2,0,0,0,0|2,0,0]=4 15995 B10R0.41 CCN(CC)CCSCCO 62a_100000211926_100000700428 [0,2,0,0,0,0|2,0,0]=4 15996 B10R0.41 CCN(CC)COCCCO 7a_200015374951_100011215043 [0,2,0,0,0,0|2,0,0]=4 15997 B10R0.41 CCOCCNC(CO)CO 2230a_100000759517_100011215890 [0,2,0,0,0,0|2,0,0]=4 15998 B10R0.41 CCOCCN[C@@H](CC)CO 2230a_100000709445_100011215890 [0,2,0,0,0,0|2,0,0]=4 15999 B10R0.41 CCSCCNC(CO)CO 2230a_100000759517_100000757381 [0,2,0,0,0,0|2,0,0]=4 16000 B10R0.41 CCSCCN[C@@H](CC)CO 2230a_100000709445_100000757381 [0,2,0,0,0,0|2,0,0]=4 16001 B10R0.41 CC[C@@H](CO)NCCCCF 2230a_100000709445_100000729493 [0,2,0,0,0,0|2,0,0]=4 16002 B10R0.41 CC[C@@H](CO)NCCCCO 2230a_100000709445_100000210776 [0,2,0,0,0,0|1,0,0]=3 16003 B10R0.41 CC[C@@H](CO)NCCCOC 2230a_100000709445_100000740836 [0,2,0,0,0,0|2,0,0]=4 16004 B10R0.41 COC(CCNCCO)OC 2230a_100016997473_100009813347 [0,2,0,0,0,0|2,0,0]=4 16005 B10R0.41 COC(CCNCCO)OC 34a_100016990907_100000139399 [0,2,0,0,0,0|2,0,0]=4 16006 B10R0.41 COC(CCSCCO)OC 62a_100000139399_100000211926 [0,2,0,0,0,0|2,0,0]=4 16007 B10R0.41 COC(CCSCCO)OC 62a_100000211926_100000139399 [0,2,0,0,0,0|2,0,0]=4 16008 B10R0.41 COC(CNCCCO)OC 270004a_100000182051_100000752162 [0,2,0,0,0,0|2,0,0]=4 16009 B10R0.41 COC(COCCCO)OC 34a_100011216393_100000230001 [0,2,0,0,0,0|2,0,0]=4 16010 B10R0.41 COC(CSCCCO)OC 62a_100000751394_100011215043 [0,2,0,0,0,0|2,0,0]=4 16011 B10R0.41 COC(CSCCCO)OC 62a_100011215043_100000751394 [0,2,0,0,0,0|2,0,0]=4 16012 B10R0.41 COCCCNC(CO)CO 2230a_100000759517_100000740836 [0,2,0,0,0,0|2,0,0]=4 16013 B10R0.41 NCC(CN)OCCCCO 34a_100000031598_100011216708 [0,2,0,0,0,0|2,0,0]=4 16014 B10R0.41 OCC(CO)NCCCCF 2230a_100000759517_100000729493 [0,2,0,0,0,0|2,0,0]=4 16015 B10R0.41 OCCCCNC(CO)CO 2230a_100000759517_100000210776 [0,2,0,0,0,0|2,0,0]=4 16016 B10R0.41 OCCCCOC(CCl)CCl 7a_100000737055_100000210776 [0,2,0,0,0,0|2,0,0]=4 16017 B10R0.41 OCCCCOC(CF)CF 34a_100000032261_100011216708 [0,2,0,0,0,0|2,0,0]=4 16018 B10R0.41 OCCCCOC(CF)CF 7a_100000032261_100000210776 [0,2,0,0,0,0|2,0,0]=4 16019 B10R0.41 OCCCCO[C@@H](CF)CCl 34a_100015614560_100011216708 [0,2,0,0,0,0|2,0,0]=4 16020 B10R0.41 OCCCCO[C@@H](CF)CCl 7a_100015614560_100000210776 [0,2,0,0,0,0|2,0,0]=4 16021 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [0,2,0,0,0,0|2,0,0]=4 16022 B10R0.59 CC(CN)COC[C@@H](C)CO 34a_100000744482_100000059175 [0,2,0,0,0,0|2,0,0]=4 16023 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [0,2,0,0,0,0|2,0,0]=4 16024 B10R0.59 CC(CO)CCNC(C)CO 2230a_106354213184_100012180447 [0,2,0,0,0,0|2,0,0]=4 16025 B10R0.59 CC(CO)CCNC(C)CO 34a_106354213184_100012180447 [0,2,0,0,0,0|2,0,0]=4 16026 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [0,2,0,0,0,0|2,0,0]=4 16027 B10R0.59 CC(CO)CNC[C@@H](C)CO 34a_100000744482_100000059175 [0,2,0,0,0,0|2,0,0]=4 16028 B10R0.59 CC(CO)CNC[C@@H](O)CF 34a_100000744482_100015614560 [0,2,0,0,0,0|2,0,0]=4 16029 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [0,2,0,0,0,0|2,0,0]=4 16030 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,2,0,0,0,0|1,0,1]=4 16031 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,2,0,0,0,0|1,0,1]=4 16032 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,2,0,0,0,0|1,0,1]=4 16033 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,2,0,0,0,0|1,0,1]=4 16034 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,2,0,0,0,0|1,0,1]=4 16035 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,2,0,0,0,0|1,0,1]=4 16036 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,2,0,0,0,0|1,0,1]=4 16037 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,2,0,0,0,0|1,0,1]=4 16038 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,2,0,0,0,0|1,0,1]=4 16039 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|1,0,1]=4 16040 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|1,0,1]=4 16041 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,1]=4 16042 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,1]=4 16043 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,2,0,0,0,0|2,0,0]=4 16044 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [0,2,0,0,0,0|1,0,0]=3 16045 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,2,0,0,0,0|2,0,0]=4 16046 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,2,0,0,0,0|1,0,0]=3 16047 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [0,2,0,0,0,0|2,0,0]=4 16048 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [0,2,0,0,0,0|2,0,0]=4 16049 B10R0.59 CCC(C)CNCC(C)CO 34a_100000744482_100000748023 [0,2,0,0,0,0|1,0,0]=3 16050 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,2,0,0,0,0|2,0,0]=4 16051 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,2,0,0,0,0|2,0,0]=4 16052 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,2,0,0,0,0|2,0,0]=4 16053 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [0,2,0,0,0,0|1,0,0]=3 16054 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [0,2,0,0,0,0|2,0,0]=4 16055 B10R0.59 CCC(C)CNC[C@@H](C)CO 2230a_100020588543_100000059175 [0,2,0,0,0,0|1,0,0]=3 16056 B10R0.59 CCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243153 [0,2,0,0,0,0|1,0,0]=3 16057 B10R0.59 CCC(C)CNC[C@@H](F)CO 34a_100015665980_100000748023 [0,2,0,0,0,0|1,0,0]=3 16058 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [0,2,0,0,0,0|2,0,0]=4 16059 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [0,2,0,0,0,0|1,0,0]=3 16060 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [0,2,0,0,0,0|1,0,0]=3 16061 B10R0.59 CCC(C)COCC(C)CN 34a_100000744482_100000748023 [0,2,0,0,0,0|2,0,0]=4 16062 B10R0.59 CCC(C)COCC(Cl)CCl 34a_100000033668_100000748023 [0,2,0,0,0,0|2,0,0]=4 16063 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [0,2,0,0,0,0|2,0,0]=4 16064 B10R0.59 CCC(C)COC[C@H](F)CN 34a_100015665980_100000748023 [0,2,0,0,0,0|2,0,0]=4 16065 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [0,2,0,0,0,0|2,0,0]=4 16066 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [0,2,0,0,0,0|2,0,0]=4 16067 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [0,2,0,0,0,0|2,0,0]=4 16068 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [0,2,0,0,0,0|1,0,0]=3 16069 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [0,2,0,0,0,0|1,0,0]=3 16070 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [0,2,0,0,0,0|2,0,0]=4 16071 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [0,2,0,0,0,0|2,0,0]=4 16072 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000059175_100000748023 [0,2,0,0,0,0|1,0,0]=3 16073 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000748023_100000059175 [0,2,0,0,0,0|1,0,0]=3 16074 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100000748023_100015614560 [0,2,0,0,0,0|2,0,0]=4 16075 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100015614560_100000748023 [0,2,0,0,0,0|2,0,0]=4 16076 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [0,2,0,0,0,0|1,0,0]=3 16077 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [0,2,0,0,0,0|1,0,0]=3 16078 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [0,2,0,0,0,0|1,0,0]=3 16079 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [0,2,0,0,0,0|1,0,0]=3 16080 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [0,2,0,0,0,0|1,0,0]=3 16081 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,2,0,0,0,0|2,0,0]=4 16082 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,2,0,0,0,0|1,0,0]=3 16083 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,2,0,0,0,0|2,0,0]=4 16084 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [0,2,0,0,0,0|1,0,0]=3 16085 B10R0.59 CCC(O)CNC[C@@H](F)CO 34a_100015665980_100011218378 [0,2,0,0,0,0|1,0,0]=3 16086 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [0,2,0,0,0,0|2,0,0]=4 16087 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,2,0,0,0,0|1,0,0]=3 16088 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,2,0,0,0,0|1,0,0]=3 16089 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [0,2,0,0,0,0|2,0,0]=4 16090 B10R0.59 CCC(O)COCC(Cl)CCl 34a_100000033668_100011218378 [0,2,0,0,0,0|2,0,0]=4 16091 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,2,0,0,0,0|2,0,0]=4 16092 B10R0.59 CCC(O)COC[C@H](F)CN 34a_100015665980_100011218378 [0,2,0,0,0,0|2,0,0]=4 16093 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,2,0,0,0,0|2,0,0]=4 16094 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,2,0,0,0,0|1,0,0]=3 16095 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,2,0,0,0,0|1,0,0]=3 16096 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [0,2,0,0,0,0|2,0,0]=4 16097 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [0,2,0,0,0,0|2,0,0]=4 16098 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [0,2,0,0,0,0|1,0,0]=3 16099 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [0,2,0,0,0,0|1,0,0]=3 16100 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100011218378_100015614560 [0,2,0,0,0,0|2,0,0]=4 16101 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100015614560_100011218378 [0,2,0,0,0,0|2,0,0]=4 16102 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,2,0,0,0,0|1,0,0]=3 16103 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,2,0,0,0,0|1,0,0]=3 16104 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|1,0,1]=4 16105 B10R0.59 CC[C@H](C)CNCC(C)CO 34a_100000744482_100009816398 [0,2,0,0,0,0|1,0,0]=3 16106 B10R0.59 CC[C@H](C)CNC[C@@H](F)CO 34a_100015665980_100009816398 [0,2,0,0,0,0|1,0,0]=3 16107 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [0,2,0,0,0,0|1,0,0]=3 16108 B10R0.59 CC[C@H](C)COCC(C)CN 34a_100000744482_100009816398 [0,2,0,0,0,0|2,0,0]=4 16109 B10R0.59 CC[C@H](C)COCC(Cl)CCl 34a_100000033668_100009816398 [0,2,0,0,0,0|2,0,0]=4 16110 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,2,0,0,0,0|1,0,0]=3 16111 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [0,2,0,0,0,0|2,0,0]=4 16112 B10R0.59 CC[C@H](C)COC[C@@H](C)CO 7a_100009816381_100000059175 [0,2,0,0,0,0|1,0,0]=3 16113 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [0,2,0,0,0,0|2,0,0]=4 16114 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,2,0,0,0,0|1,0,0]=3 16115 B10R0.59 CC[C@H](C)COC[C@H](F)CN 34a_100015665980_100009816398 [0,2,0,0,0,0|2,0,0]=4 16116 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [0,2,0,0,0,0|1,0,0]=3 16117 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [0,2,0,0,0,0|1,0,0]=3 16118 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [0,2,0,0,0,0|2,0,0]=4 16119 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100000059175_100009816398 [0,2,0,0,0,0|1,0,0]=3 16120 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100009816398_100000059175 [0,2,0,0,0,0|1,0,0]=3 16121 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100009816398_100015614560 [0,2,0,0,0,0|2,0,0]=4 16122 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100015614560_100009816398 [0,2,0,0,0,0|2,0,0]=4 16123 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [0,2,0,0,0,0|1,0,0]=3 16124 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [0,2,0,0,0,0|1,0,0]=3 16125 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [0,2,0,0,0,0|2,0,0]=4 16126 B10R0.59 COC(C)COCC(O)CO 34a_100000690652_100011219619 [0,2,0,0,0,0|2,0,0]=4 16127 B10R0.59 COC(C)COC[C@@H](C)CO 34a_100000690652_100000059175 [0,2,0,0,0,0|2,0,0]=4 16128 B10R0.59 COC(C)COC[C@@H](O)CO 34a_100000690652_100009815848 [0,2,0,0,0,0|2,0,0]=4 16129 B10R0.59 CO[C@H](C)CNCC(O)CO 2230a_100020591295_100011219619 [0,2,0,0,0,0|2,0,0]=4 16130 B10R0.59 CO[C@H](C)CNC[C@@H](C)CO 2230a_100020591295_100000059175 [0,2,0,0,0,0|2,0,0]=4 16131 B10R0.59 CO[C@H](C)CNC[C@@H](O)CO 2230a_100020591295_100009815848 [0,2,0,0,0,0|2,0,0]=4 16132 B10R0.59 C[C@@H](CO)CNC[C@@H](F)CO 34a_100015665980_100000059175 [0,2,0,0,0,0|2,0,0]=4 16133 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [0,2,0,0,0,0|2,0,0]=4 16134 B10R0.59 C[C@@H](CO)COCC(Cl)CCl 34a_100000033668_100000059175 [0,2,0,0,0,0|2,0,0]=4 16135 B10R0.59 C[C@@H](CO)COC[C@H](F)CN 34a_100015665980_100000059175 [0,2,0,0,0,0|2,0,0]=4 16136 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [0,2,0,0,0,0|2,0,0]=4 16137 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [0,2,0,0,0,0|2,0,0]=4 16138 B10R0.59 C[C@@H](CO)CSC[C@@H](C)CO 62a_100000059175_100000059175 [0,2,0,0,0,0|2,0,0]=4 16139 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100000059175_100015614560 [0,2,0,0,0,0|2,0,0]=4 16140 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100015614560_100000059175 [0,2,0,0,0,0|2,0,0]=4 16141 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [0,2,0,0,0,0|2,0,0]=4 16142 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [0,2,0,0,0,0|2,0,0]=4 16143 B10R0.59 NC[C@@H](F)COCC(O)CO 34a_100015665980_100011219619 [0,2,0,0,0,0|2,0,0]=4 16144 B10R0.59 NC[C@@H](F)COC[C@@H](O)CO 34a_100015665980_100009815848 [0,2,0,0,0,0|2,0,0]=4 16145 B10R0.59 OCC(O)CNC[C@@H](F)CO 34a_100015665980_100011219619 [0,2,0,0,0,0|2,0,0]=4 16146 B10R0.59 OCC(O)CNC[C@H](O)CO 2230a_100020644852_100011219619 [0,2,0,0,0,0|2,0,0]=4 16147 B10R0.59 OCC(O)COCC(Cl)CCl 34a_100000033668_100011219619 [0,2,0,0,0,0|2,0,0]=4 16148 B10R0.59 OCC(O)CSCC(O)CO 62a_100011219619_100011219619 [0,2,0,0,0,0|2,0,0]=4 16149 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100011219619_100015614560 [0,2,0,0,0,0|2,0,0]=4 16150 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100015614560_100011219619 [0,2,0,0,0,0|2,0,0]=4 16151 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100009815848_100011219619 [0,2,0,0,0,0|2,0,0]=4 16152 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100011219619_100009815848 [0,2,0,0,0,0|2,0,0]=4 16153 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CF 2230a_100020644852_100015614560 [0,2,0,0,0,0|2,0,0]=4 16154 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CO 2230a_100020644852_100009815848 [0,2,0,0,0,0|2,0,0]=4 16155 B10R0.59 OC[C@H](F)CNC[C@@H](O)CF 34a_100015665980_100015614560 [0,2,0,0,0,0|2,0,0]=4 16156 B10R0.59 OC[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100009815848 [0,2,0,0,0,0|2,0,0]=4 16157 B10R0.59 OC[C@H](O)COCC(Cl)CCl 34a_100000033668_100009815848 [0,2,0,0,0,0|2,0,0]=4 16158 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100009815848_100015614560 [0,2,0,0,0,0|2,0,0]=4 16159 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100009815848 [0,2,0,0,0,0|2,0,0]=4 16160 B10R0.59 OC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100009815848 [0,2,0,0,0,0|2,0,0]=4 16161 B10R0.62 CC(C)(CCCCCBr)O[13CH3] 7a_100010402123_200025704644 [0,2,0,0,0,0|2,0,0]=4 16162 B10R0.62 CC(C)(CCl)COCCCO 7a_100011217199_100011215043 [0,2,0,0,0,0|2,0,0]=4 16163 B10R0.62 CC(C)(CCl)OCCCCO 7a_100000764493_100000210776 [0,2,0,0,0,0|2,0,0]=4 16164 B10R0.62 CC(C)(CO)CNCCCF 2230a_100020635058_100011934791 [0,2,0,0,0,0|2,0,0]=4 16165 B10R0.62 CC(C)(CO)CNCCCF 34a_100015189416_100009813988 [0,2,0,0,0,0|2,0,0]=4 16166 B10R0.62 CC(C)(CO)CNCCCO 2230a_100020635058_100000230001 [0,2,0,0,0,0|2,0,0]=4 16167 B10R0.62 CC(C)(CO)COCCCBr 34a_100011217188_100009813988 [0,2,0,0,0,0|2,0,0]=4 16168 B10R0.62 CC(C)(CO)COCCCCl 34a_100000230001_100009813988 [0,2,0,0,0,0|2,0,0]=4 16169 B10R0.62 CC(C)(CO)COCCCF 34a_100000759539_100009813988 [0,2,0,0,0,0|2,0,0]=4 16170 B10R0.62 CC(C)(CO)COCCCN 34a_100000182051_100009813988 [0,2,0,0,0,0|2,0,0]=4 16171 B10R0.62 CC(C)(CO)CSCCCF 62a_100009813988_100011934791 [0,2,0,0,0,0|2,0,0]=4 16172 B10R0.62 CC(C)(CO)CSCCCF 62a_100011934791_100009813988 [0,2,0,0,0,0|2,0,0]=4 16173 B10R0.62 CC(C)(CO)CSCCCO 62a_100009813988_100011215043 [0,2,0,0,0,0|2,0,0]=4 16174 B10R0.62 CC(C)(CO)CSCCCO 62a_100011215043_100009813988 [0,2,0,0,0,0|2,0,0]=4 16175 B10R0.62 CC(C)(CO)NCCCCF 2230a_100000210608_100000729493 [0,2,0,0,0,0|2,0,0]=4 16176 B10R0.62 CC(C)(CO)NCCCCO 2230a_100000210608_100000210776 [0,2,0,0,0,0|2,0,0]=4 16177 B10R0.62 CCC(C)(C)COCCCF 7a_100000765029_100011934791 [0,2,0,0,0,0|2,0,0]=4 16178 B10R0.62 CCC(C)(C)COCCCO 7a_100000765029_100011215043 [0,2,0,0,0,0|1,0,0]=3 16179 B10R0.62 CCC(C)(C)NCCCCF 2230a_100000211385_100000729493 [0,2,0,0,0,0|2,0,0]=4 16180 B10R0.62 CCC(C)(C)NCCCCO 2230a_100000211385_100000210776 [0,2,0,0,0,0|1,0,0]=3 16181 B10R0.62 CCC(C)(C)OCCCCCl 7a_100000210776_100000210677 [0,2,0,0,0,0|2,0,0]=4 16182 B10R0.62 CCC(C)(C)OCCCCF 7a_100000210230_100000729493 [0,2,0,0,0,0|2,0,0]=4 16183 B10R0.62 CCC(C)(C)OCCCCF 7a_100011995726_100000210677 [0,2,0,0,0,0|2,0,0]=4 16184 B10R0.62 CCC(C)(C)OCCCCO 7a_100000210230_100000210776 [0,2,0,0,0,0|1,0,0]=3 16185 B10R0.62 CCC(C)(C)SCCCCF 62a_100000032637_100000729493 [0,2,0,0,0,0|2,0,0]=4 16186 B10R0.62 CCC(C)(C)SCCCCF 62a_100000729493_100000032637 [0,2,0,0,0,0|2,0,0]=4 16187 B10R0.62 CCC(C)(C)SCCCCO 62a_100000032637_100000210776 [0,2,0,0,0,0|1,0,0]=3 16188 B10R0.62 CCC(C)(C)SCCCCO 62a_100000210776_100000032637 [0,2,0,0,0,0|1,0,0]=3 16189 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|2,0,0]=4 16190 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|2,0,0]=4 16191 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [0,2,0,0,0,0|2,0,0]=4 16192 B10R0.62 CCCCCNC(C)(C)CO 2230a_100000210608_100000210326 [0,2,0,0,0,0|1,0,0]=3 16193 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [0,2,0,0,0,0|2,0,0]=4 16194 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [0,2,0,0,0,0|2,0,0]=4 16195 B10R0.62 CCCCCOC(C)(C)CCl 7a_100000764493_100000210326 [0,2,0,0,0,0|2,0,0]=4 16196 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [0,2,0,0,0,0|2,0,0]=4 16197 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [0,2,0,0,0,0|2,0,0]=4 16198 B10R0.62 CCCCCSC(F)(F)CO 62a_100000210326_100011217949 [0,2,0,0,0,0|1,0,0]=3 16199 B10R0.62 CCCCCSC(F)(F)CO 62a_100011217949_100000210326 [0,2,0,0,0,0|1,0,0]=3 16200 B10R0.62 CCCCNCC(C)(C)CO 2230a_100020635058_100000210211 [0,2,0,0,0,0|1,0,0]=3 16201 B10R0.62 CCCCNCC(C)(C)CO 7a_106832991798_100009813988 [0,2,0,0,0,0|1,0,0]=3 16202 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [0,2,0,0,0,0|2,0,0]=4 16203 B10R0.62 CCCCOCC(C)(C)CCl 7a_100011217199_100000210211 [0,2,0,0,0,0|2,0,0]=4 16204 B10R0.62 CCCCOCC(C)(C)CO 34a_100000210227_100009813988 [0,2,0,0,0,0|1,0,0]=3 16205 B10R0.62 CCCCOCC(C)(C)CO 7a_100000210227_100009813988 [0,2,0,0,0,0|1,0,0]=3 16206 B10R0.62 CCCCOCC(F)(F)CN 34a_100000703232_100000210210 [0,2,0,0,0,0|2,0,0]=4 16207 B10R0.62 CCCCSCC(C)(C)CO 62a_100000210211_100009813988 [0,2,0,0,0,0|1,0,0]=3 16208 B10R0.62 CCCCSCC(C)(C)CO 62a_100009813988_100000210210 [0,2,0,0,0,0|1,0,0]=3 16209 B10R0.62 CCNCCCC(C)(C)CO 2230a_100000039164_100000210202 [0,2,0,0,0,0|1,0,0]=3 16210 B10R0.62 CCOCCNC(C)(C)CO 2230a_100000210608_100011215890 [0,2,0,0,0,0|2,0,0]=4 16211 B10R0.62 CCOCCSC(F)(F)CO 62a_100000210147_100011217949 [0,2,0,0,0,0|2,0,0]=4 16212 B10R0.62 CCOCCSC(F)(F)CO 62a_100011217949_100011215890 [0,2,0,0,0,0|2,0,0]=4 16213 B10R0.62 CCOCSCC(C)(C)CO 62a_100000739092_100009813988 [0,2,0,0,0,0|2,0,0]=4 16214 B10R0.62 CCOCSCC(C)(C)CO 62a_100009813988_100000739092 [0,2,0,0,0,0|2,0,0]=4 16215 B10R0.62 CCS(=O)(=O)CCNCCO 2230a_100000751051_100000211926 [0,2,0,0,0,0|2,0,0]=4 16216 B10R0.62 CCS(=O)(=O)CCNCCO 2230a_100016997473_100000756660 [0,2,0,0,0,0|2,0,0]=4 16217 B10R0.62 CCS(=O)(=O)CCNCCO 34a_100000751051_100000211926 [0,2,0,0,0,0|2,0,0]=4 16218 B10R0.62 CCS(=O)(=O)CCNCCO 34a_100016990907_100000756660 [0,2,0,0,0,0|2,0,0]=4 16219 B10R0.62 CCS(=O)(=O)CCOCCO 34a_200011216379_100000211926 [0,2,0,0,0,0|2,0,0]=4 16220 B10R0.62 CCS(=O)(=O)CCOCCO 7a_200011216379_100000211926 [0,2,0,0,0,0|2,0,0]=4 16221 B10R0.62 CCS(=O)(=O)CCSCCO 62a_100000211926_100000756660 [0,2,0,0,0,0|2,0,0]=4 16222 B10R0.62 CCS(=O)(=O)CCSCCO 62a_100000756660_100000211926 [0,2,0,0,0,0|2,0,0]=4 16223 B10R0.62 CCS(=O)(=O)NCCCCO 270084a_100000750430_100000211323 [0,2,0,0,0,0|2,0,0]=4 16224 B10R0.62 CCS(=O)(=O)NCCCCO 274078a_100000750430_100000211323 [0,2,0,0,0,0|2,0,0]=4 16225 B10R0.62 CCS(=O)(=O)NCCCCO 40a_100000750430_100000053943 [0,2,0,0,0,0|2,0,0]=4 16226 B10R0.62 CCSCCNC(C)(C)CO 2230a_100000210608_100000757381 [0,2,0,0,0,0|2,0,0]=4 16227 B10R0.62 CCSCCSC(F)(F)CO 62a_100000757381_100011217949 [0,2,0,0,0,0|2,0,0]=4 16228 B10R0.62 CCSCCSC(F)(F)CO 62a_100011217949_100000757381 [0,2,0,0,0,0|2,0,0]=4 16229 B10R0.62 COC(C)(C)CCCCCBr 7a_100010402123_200000210301 [0,2,0,0,0,0|2,0,0]=4 16230 B10R0.62 COC(C)(C)CCOCCO 7a_100000699976_100000211926 [0,2,0,0,0,0|2,0,0]=4 16231 B10R0.62 COC(C)(C)CNCCCO 2230a_100000763424_100000230001 [0,2,0,0,0,0|2,0,0]=4 16232 B10R0.62 COC(C)(C)CSCCCO 62a_100000701081_100011215043 [0,2,0,0,0,0|2,0,0]=4 16233 B10R0.62 COC(C)(C)CSCCCO 62a_100011215043_100000701081 [0,2,0,0,0,0|2,0,0]=4 16234 B10R0.62 COCCCNC(C)(C)CO 2230a_100000210608_100000740836 [0,2,0,0,0,0|2,0,0]=4 16235 B10R0.62 COCCCSC(F)(F)CO 62a_100000709357_100011217949 [0,2,0,0,0,0|2,0,0]=4 16236 B10R0.62 COCCCSC(F)(F)CO 62a_100011217949_100000709357 [0,2,0,0,0,0|2,0,0]=4 16237 B10R0.62 COCCNCC(C)(C)CO 2230a_100020635058_100011201679 [0,2,0,0,0,0|2,0,0]=4 16238 B10R0.62 COCCOCC(C)(C)CO 34a_100000210237_100009813988 [0,2,0,0,0,0|2,0,0]=4 16239 B10R0.62 COCCSCC(C)(C)CO 62a_100000233755_100009813988 [0,2,0,0,0,0|2,0,0]=4 16240 B10R0.62 COCCSCC(C)(C)CO 62a_100009813988_100000233755 [0,2,0,0,0,0|2,0,0]=4 16241 B10R0.62 CSC(C)(C)CNCCCO 270004a_100000182051_100009845794 [0,2,0,0,0,0|2,0,0]=4 16242 B10R0.62 CSCCNCC(C)(C)CO 2230a_100020635058_100000751147 [0,2,0,0,0,0|2,0,0]=4 16243 B10R0.62 CSCCOCC(C)(C)CO 34a_100000230434_100009813988 [0,2,0,0,0,0|2,0,0]=4 16244 B10R0.62 CSCCOCC(C)(C)CO 7a_100000230434_100009813988 [0,2,0,0,0,0|2,0,0]=4 16245 B10R0.62 CSCCSCC(C)(C)CO 62a_100000212216_100009813988 [0,2,0,0,0,0|2,0,0]=4 16246 B10R0.62 CSCCSCC(C)(C)CO 62a_100009813988_100000751147 [0,2,0,0,0,0|2,0,0]=4 16247 B10R0.62 NCC(F)(F)COCCCO 34a_100000703232_100000230001 [0,2,0,0,0,0|2,0,0]=4 16248 B10R0.62 OCC(F)(F)SCCCCF 62a_100000729493_100011217949 [0,2,0,0,0,0|2,0,0]=4 16249 B10R0.62 OCC(F)(F)SCCCCF 62a_100011217949_100000729493 [0,2,0,0,0,0|2,0,0]=4 16250 B10R0.62 OCCCCSC(F)(F)CO 62a_100000210776_100011217949 [0,2,0,0,0,0|2,0,0]=4 16251 B10R0.62 OCCCCSC(F)(F)CO 62a_100011217949_100000210776 [0,2,0,0,0,0|2,0,0]=4 16252 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 16253 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|2,0,0]=4 16254 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 16255 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 16256 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [1,0,0,1,0,0|2,0,0]=4 16257 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 16258 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [1,0,0,1,0,0|2,0,0]=4 16259 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [1,0,0,1,0,0|2,0,0]=4 16260 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 16261 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,0]=3 16262 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 16263 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,0]=3 16264 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,0]=3 16265 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 16266 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|2,0,0]=4 16267 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 16268 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|2,0,0]=4 16269 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|2,0,0]=4 16270 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|2,0,0]=4 16271 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,1,0,0|2,0,0]=4 16272 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 16273 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,1,0,0|2,0,0]=4 16274 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 16275 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,1,0,0|2,0,0]=4 16276 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 16277 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,1,0,0|2,0,0]=4 16278 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 16279 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,1,0,0|2,0,0]=4 16280 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,1,0,0|2,0,0]=4 16281 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 16282 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,0]=3 16283 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 16284 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,0]=3 16285 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|2,0,0]=4 16286 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|2,0,0]=4 16287 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|2,0,0]=4 16288 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|2,0,0]=4 16289 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 16290 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|2,0,0]=4 16291 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 16292 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,0]=3 16293 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,0]=3 16294 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|2,0,0]=4 16295 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|2,0,0]=4 16296 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|2,0,0]=4 16297 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 16298 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 16299 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 16300 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 16301 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 16302 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 16303 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 16304 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 16305 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 16306 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 16307 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,0]=3 16308 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|2,0,0]=4 16309 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|2,0,0]=4 16310 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|2,0,0]=4 16311 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 16312 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 16313 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,0]=3 16314 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,0]=3 16315 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|2,0,0]=4 16316 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|2,0,0]=4 16317 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|2,0,0]=4 16318 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 16319 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 16320 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 16321 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 16322 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 16323 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 16324 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 16325 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 16326 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 16327 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 16328 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 16329 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 16330 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|1,0,0]=3 16331 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|1,0,0]=3 16332 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 16333 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 16334 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 16335 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|1,0,0]=3 16336 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|1,0,0]=3 16337 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 16338 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|2,0,0]=4 16339 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|2,0,0]=4 16340 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|2,0,0]=4 16341 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|2,0,0]=4 16342 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 16343 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 16344 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 16345 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,0]=3 16346 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 16347 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|1,0,0]=3 16348 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|2,0,0]=4 16349 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|2,0,0]=4 16350 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|2,0,0]=4 16351 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|1,0,0]=3 16352 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|1,0,0]=3 16353 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|2,0,0]=4 16354 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 16355 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 16356 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,0]=3 16357 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 16358 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,0]=3 16359 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 16360 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|1,0,0]=3 16361 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|1,0,0]=3 16362 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 16363 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 16364 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 16365 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|2,0,0]=4 16366 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 16367 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [1,0,0,1,0,0|2,0,0]=4 16368 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [1,0,0,1,0,0|2,0,0]=4 16369 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [1,0,0,1,0,0|2,0,0]=4 16370 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [1,0,0,1,0,0|2,0,0]=4 16371 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [1,0,0,1,0,0|2,0,0]=4 16372 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|1,0,0]=3 16373 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|1,0,0]=3 16374 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 16375 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,0]=3 16376 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 16377 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,0]=3 16378 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,0]=3 16379 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|2,0,0]=4 16380 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|2,0,0]=4 16381 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|2,0,0]=4 16382 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,0,0,1,0,0|2,0,0]=4 16383 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,0,0,1,0,0|2,0,0]=4 16384 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,0,0,1,0,0|2,0,0]=4 16385 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 16386 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 16387 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 16388 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,0]=3 16389 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,0]=3 16390 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|1,0,0]=3 16391 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|1,0,0]=3 16392 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|2,0,0]=4 16393 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|2,0,0]=4 16394 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [1,0,0,1,0,0|2,0,0]=4 16395 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [1,0,0,1,0,0|2,0,0]=4 16396 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 16397 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 16398 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 16399 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 16400 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [1,0,0,1,0,0|2,0,0]=4 16401 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 16402 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 16403 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [1,0,0,1,0,0|2,0,0]=4 16404 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [1,0,0,1,0,0|2,0,0]=4 16405 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [1,0,0,1,0,0|2,0,0]=4 16406 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [1,0,0,1,0,0|1,0,0]=3 16407 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [1,0,0,1,0,0|1,0,0]=3 16408 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [1,0,0,1,0,0|2,0,0]=4 16409 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [1,0,0,1,0,0|2,0,0]=4 16410 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 16411 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 16412 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 16413 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 16414 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [1,0,0,1,0,0|2,0,0]=4 16415 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [1,0,0,1,0,0|2,0,0]=4 16416 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|1,0,0]=3 16417 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|1,0,0]=3 16418 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 16419 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 16420 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,0]=3 16421 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,0]=3 16422 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|2,0,0]=4 16423 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|2,0,0]=4 16424 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,0,0,1,0,0|2,0,0]=4 16425 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,0,0,1,0,0|2,0,0]=4 16426 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 16427 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,0]=3 16428 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,0]=3 16429 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|1,0,0]=3 16430 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|1,0,0]=3 16431 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|2,0,0]=4 16432 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|2,0,0]=4 16433 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [1,0,0,1,0,0|2,0,0]=4 16434 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [1,0,0,1,0,0|2,0,0]=4 16435 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 16436 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 16437 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [1,0,0,1,0,0|2,0,0]=4 16438 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 16439 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 16440 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 16441 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 16442 B8R1.9 OCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211926 [1,0,0,1,0,0|2,0,0]=4 16443 B8R1.9 OCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000211926 [1,0,0,1,0,0|2,0,0]=4 16444 B8R1.9 OCCN[C@@H]1C[C@H]1F 34a_100025746932_100000211926 [1,0,0,1,0,0|2,0,0]=4 16445 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [1,0,0,1,0,0|2,0,0]=4 16446 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|1,0,0]=3 16447 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|1,0,0]=3 16448 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|1,0,0]=3 16449 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|1,0,0]=3 16450 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|2,0,0]=4 16451 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|1,0,0]=3 16452 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|1,0,0]=3 16453 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|2,0,0]=4 16454 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [1,0,0,1,0,0|2,0,0]=4 16455 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|1,0,0]=3 16456 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|2,0,0]=4 16457 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 16458 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,0]=3 16459 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,0]=3 16460 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 16461 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,1,0,0|1,0,0]=3 16462 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 16463 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|2,0,0]=4 16464 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 16465 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,1,0,0|1,0,0]=3 16466 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,1,0,0|1,0,0]=3 16467 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,0]=3 16468 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,0]=3 16469 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|1,0,0]=3 16470 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|1,0,0]=3 16471 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|2,0,0]=4 16472 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|2,0,0]=4 16473 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|2,0,0]=4 16474 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [1,0,0,1,0,0|2,0,0]=4 16475 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|1,0,0]=3 16476 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|1,0,0]=3 16477 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,1,0,0|1,0,0]=3 16478 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,1,0,0|1,0,0]=3 16479 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|2,0,0]=4 16480 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|2,0,0]=4 16481 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|2,0,0]=4 16482 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [1,0,0,1,0,0|2,0,0]=4 16483 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [1,0,0,1,0,0|2,0,0]=4 16484 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [1,0,0,1,0,0|2,0,0]=4 16485 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [1,0,0,1,0,0|2,0,0]=4 16486 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 16487 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 16488 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [1,0,0,1,0,0|2,0,0]=4 16489 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [1,0,0,1,0,0|2,0,0]=4 16490 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [1,0,0,1,0,0|2,0,0]=4 16491 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 16492 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [1,0,0,1,0,0|2,0,0]=4 16493 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 16494 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [1,0,0,1,0,0|2,0,0]=4 16495 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [1,0,0,1,0,0|2,0,0]=4 16496 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [1,0,0,1,0,0|2,0,0]=4 16497 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [1,0,0,1,0,0|2,0,0]=4 16498 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|2,0,0]=4 16499 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [1,0,0,1,0,0|2,0,0]=4 16500 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [1,0,0,1,0,0|2,0,0]=4 16501 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [1,0,0,1,0,0|2,0,0]=4 16502 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [1,0,0,1,0,0|2,0,0]=4 16503 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [1,0,0,1,0,0|2,0,0]=4 16504 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [1,0,0,1,0,0|2,0,0]=4 16505 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [1,0,0,1,0,0|1,0,0]=3 16506 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|1,0,0]=3 16507 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|1,0,0]=3 16508 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|1,0,0]=3 16509 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|1,0,0]=3 16510 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [1,0,0,1,0,0|2,0,0]=4 16511 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [1,0,0,1,0,0|2,0,0]=4 16512 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|1,0,0]=3 16513 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [1,0,0,1,0,0|2,0,0]=4 16514 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [1,0,0,1,0,0|1,0,0]=3 16515 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [1,0,0,1,0,0|2,0,0]=4 16516 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|2,0,0]=4 16517 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 16518 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 16519 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 16520 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 16521 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 16522 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 16523 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 16524 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 16525 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|1,0,0]=3 16526 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|1,0,0]=3 16527 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 16528 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|1,0,0]=3 16529 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 16530 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 16531 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [1,0,0,1,0,0|2,0,0]=4 16532 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 16533 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|1,0,0]=3 16534 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|1,0,0]=3 16535 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,0]=3 16536 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,0]=3 16537 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,0,0,1,0,0|2,0,0]=4 16538 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [1,0,0,1,0,0|2,0,0]=4 16539 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [1,0,0,1,0,0|2,0,0]=4 16540 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [1,0,0,1,0,0|2,0,0]=4 16541 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 16542 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 16543 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [1,0,0,1,0,0|2,0,0]=4 16544 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 16545 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|2,0,0]=4 16546 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|2,0,0]=4 16547 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [1,0,0,1,0,0|2,0,0]=4 16548 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [1,0,0,1,0,0|2,0,0]=4 16549 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|1,0,0]=3 16550 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|1,0,0]=3 16551 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 16552 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 16553 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|2,0,0]=4 16554 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [1,0,0,1,0,0|2,0,0]=4 16555 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|1,0,0]=3 16556 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|1,0,0]=3 16557 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,0]=3 16558 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [1,0,0,1,0,0|2,0,0]=4 16559 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 16560 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|2,0,0]=4 16561 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [1,0,0,1,0,0|2,0,0]=4 16562 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [1,0,0,1,0,0|2,0,0]=4 16563 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|1,0,0]=3 16564 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|1,0,0]=3 16565 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 16566 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 16567 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|1,0,0]=3 16568 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|1,0,0]=3 16569 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|1,0,0]=3 16570 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|1,0,0]=3 16571 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 16572 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 16573 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 16574 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 16575 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 16576 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 16577 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [1,0,0,1,0,0|2,0,0]=4 16578 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 16579 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 16580 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 16581 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 16582 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 16583 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 16584 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 16585 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 16586 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 16587 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 16588 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 16589 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 16590 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 16591 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 16592 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [1,0,0,1,0,0|2,0,0]=4 16593 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [1,0,0,1,0,0|2,0,0]=4 16594 B8R1.36 BrCCOCC1CO1 34a_100000211926_102125554688 [1,0,0,1,0,0|2,0,0]=4 16595 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,0]=3 16596 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,0]=3 16597 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,0]=3 16598 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,0]=3 16599 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,0]=3 16600 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,0]=3 16601 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,0]=3 16602 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,0]=3 16603 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,0]=3 16604 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,0]=3 16605 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,0,0]=3 16606 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,0,0]=3 16607 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|1,0,0]=3 16608 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|1,0,0]=3 16609 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [1,0,0,1,0,0|1,1,0]=4 16610 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [1,0,0,1,0,0|1,1,0]=4 16611 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|1,0,0]=3 16612 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|1,0,0]=3 16613 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,0]=3 16614 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,0]=3 16615 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,0]=3 16616 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 16617 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,0]=3 16618 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 16619 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,0]=3 16620 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,0]=3 16621 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [1,0,0,1,0,0|2,0,0]=4 16622 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,0]=3 16623 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,0]=3 16624 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,0]=3 16625 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,0]=3 16626 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,0]=3 16627 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,0]=3 16628 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,0]=3 16629 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,0]=3 16630 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|2,0,0]=4 16631 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|2,0,0]=4 16632 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|2,0,0]=4 16633 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|2,0,0]=4 16634 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [1,0,0,1,0,0|2,0,0]=4 16635 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [1,0,0,1,0,0|2,0,0]=4 16636 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [1,0,0,1,0,0|2,0,0]=4 16637 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [1,0,0,1,0,0|2,0,0]=4 16638 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [1,0,0,1,0,0|2,0,0]=4 16639 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [1,0,0,1,0,0|2,0,0]=4 16640 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [1,0,0,1,0,0|2,0,0]=4 16641 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,0]=3 16642 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,0]=3 16643 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [1,0,0,1,0,0|2,0,0]=4 16644 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|2,0,0]=4 16645 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [1,0,0,1,0,0|2,0,0]=4 16646 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 16647 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 16648 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [1,0,0,1,0,0|2,0,0]=4 16649 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [1,0,0,1,0,0|2,0,0]=4 16650 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [1,0,0,1,0,0|2,0,0]=4 16651 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [1,0,0,1,0,0|2,0,0]=4 16652 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [1,0,0,1,0,0|2,0,0]=4 16653 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [1,0,0,1,0,0|2,0,0]=4 16654 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [1,0,0,1,0,0|2,0,0]=4 16655 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [1,0,0,1,0,0|2,0,0]=4 16656 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [1,0,0,1,0,0|2,0,0]=4 16657 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [1,0,0,1,0,0|2,0,0]=4 16658 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [1,0,0,1,0,0|2,0,0]=4 16659 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [1,0,0,1,0,0|2,0,0]=4 16660 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [1,0,0,1,0,0|2,0,0]=4 16661 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 16662 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [1,0,0,1,0,0|2,0,0]=4 16663 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [1,0,0,1,0,0|2,0,0]=4 16664 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 16665 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [1,0,0,1,0,0|2,0,0]=4 16666 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [1,0,0,1,0,0|2,0,0]=4 16667 B8R1.36 FCCOC[C@@H]1CO1 34a_100000757423_100011217306 [1,0,0,1,0,0|2,0,0]=4 16668 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [1,0,0,1,0,0|2,0,0]=4 16669 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [1,0,0,1,0,0|2,0,0]=4 16670 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [1,0,0,1,0,0|2,0,0]=4 16671 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [1,0,0,1,0,0|2,0,0]=4 16672 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [1,0,0,1,0,0|2,0,0]=4 16673 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [1,0,0,1,0,0|2,0,0]=4 16674 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [1,0,0,1,0,0|2,0,0]=4 16675 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 16676 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 16677 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [1,0,0,1,0,0|2,0,0]=4 16678 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [1,0,0,1,0,0|2,0,0]=4 16679 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [1,0,0,1,0,0|2,0,0]=4 16680 B8R1.36 FCSCCC1CO1 62a_100000732470_100015361967 [1,0,0,1,0,0|2,0,0]=4 16681 B8R1.36 FCSCCC1CO1 62a_100015361967_100000732470 [1,0,0,1,0,0|2,0,0]=4 16682 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [1,0,0,1,0,0|2,0,0]=4 16683 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [1,0,0,1,0,0|2,0,0]=4 16684 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [1,0,0,1,0,0|2,0,0]=4 16685 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|1,0,0]=3 16686 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|1,0,0]=3 16687 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|1,0,0]=3 16688 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|1,0,0]=3 16689 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|1,0,0]=3 16690 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|1,0,0]=3 16691 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|1,0,0]=3 16692 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [1,0,0,1,0,0|2,0,0]=4 16693 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [1,0,0,1,0,0|2,0,0]=4 16694 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,0]=3 16695 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [1,0,0,1,0,0|2,0,0]=4 16696 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|1,0,0]=3 16697 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|1,0,0]=3 16698 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [1,0,0,1,0,0|2,0,0]=4 16699 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [1,0,0,1,0,0|2,0,0]=4 16700 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [1,0,0,1,0,0|2,0,0]=4 16701 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [1,0,0,1,0,0|2,0,0]=4 16702 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [1,0,0,1,0,0|2,0,0]=4 16703 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [1,0,0,1,0,0|2,0,0]=4 16704 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|2,0,0]=4 16705 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,0]=3 16706 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,0]=3 16707 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [0,1,0,1,0,0|2,0,0]=4 16708 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,1,0,1,0,0|2,0,0]=4 16709 B10R1.10 CC1CN(CCO1)CCO 2230a_100000729577_100000211926 [0,1,0,1,0,0|2,0,0]=4 16710 B10R1.10 CC1CN(CCO1)CCO 269982a_100000729577_100000211926 [0,1,0,1,0,0|2,0,0]=4 16711 B10R1.10 CC1CN(CCO1)CCO 34a_100000729577_100000211926 [0,1,0,1,0,0|2,0,0]=4 16712 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [0,1,0,1,0,0|2,0,0]=4 16713 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [0,1,0,1,0,0|2,0,0]=4 16714 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [0,1,0,1,0,0|2,0,0]=4 16715 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,1,0,1,0,0|1,0,0]=3 16716 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,1,0,1,0,0|1,0,0]=3 16717 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 16718 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 16719 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 16720 B10R1.10 CCCN1CCOC(C1)O 2230a_100000688207_100000210303 [0,1,0,1,0,0|2,0,0]=4 16721 B10R1.10 CCCN1CCOC(C1)O 269982a_100000688207_100000210303 [0,1,0,1,0,0|2,0,0]=4 16722 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,1,0,1,0,0|2,0,0]=4 16723 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,1,0,1,0,0|2,0,0]=4 16724 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,1,0,1,0,0|2,0,0]=4 16725 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,1,0,1,0,0|1,0,0]=3 16726 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,1,0,1,0,0|1,0,0]=3 16727 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|2,0,0]=4 16728 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [0,1,0,1,0,0|1,0,0]=3 16729 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [0,1,0,1,0,0|1,0,0]=3 16730 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [0,1,0,1,0,0|1,0,0]=3 16731 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,1,0,0|1,0,0]=3 16732 B10R1.10 COCC1CN(CCO1)C 2230a_100000760289_200000210301 [0,1,0,1,0,0|2,0,0]=4 16733 B10R1.10 COCC1CN(CCO1)C 269982a_100000760289_200000210301 [0,1,0,1,0,0|2,0,0]=4 16734 B10R1.10 COCC1CN(CCO1)C 34a_100000760289_200000210301 [0,1,0,1,0,0|2,0,0]=4 16735 B10R1.10 COCC1CN(CCO1)[13CH3] 2230a_100000760289_200025704644 [0,1,0,1,0,0|2,0,0]=4 16736 B10R1.10 COCC1CN(CCO1)[13CH3] 269982a_100000760289_200025704644 [0,1,0,1,0,0|2,0,0]=4 16737 B10R1.10 COCC1CN(CCO1)[13CH3] 34a_100000760289_200025704644 [0,1,0,1,0,0|2,0,0]=4 16738 B10R1.10 COCN1CCCC(C1)O 2230a_100000211013_100000766300 [0,1,0,1,0,0|2,0,0]=4 16739 B10R1.10 COCN1CCCC(C1)O 269982a_100000211013_100000766300 [0,1,0,1,0,0|2,0,0]=4 16740 B10R1.10 CSCN1CCCC(C1)O 2230a_100000211013_100011218213 [0,1,0,1,0,0|2,0,0]=4 16741 B10R1.10 CSCN1CCCC(C1)O 269982a_100000211013_100011218213 [0,1,0,1,0,0|2,0,0]=4 16742 B10R1.10 C[C@H]1CCCN(C1)CCF 2230a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 16743 B10R1.10 C[C@H]1CCCN(C1)CCF 269982a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 16744 B10R1.10 C[C@H]1CCCN(C1)CCF 34a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 16745 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [0,1,0,1,0,0|1,0,0]=3 16746 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [0,1,0,1,0,0|1,0,0]=3 16747 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [0,1,0,1,0,0|1,0,0]=3 16748 B10R1.10 FCCN1CCCC(C1)F 2230a_100000697950_100011217306 [0,1,0,1,0,0|2,0,0]=4 16749 B10R1.10 FCCN1CCCC(C1)F 269982a_100000697950_100011217306 [0,1,0,1,0,0|2,0,0]=4 16750 B10R1.10 FCCN1CCCC(C1)F 34a_100000697950_100011217306 [0,1,0,1,0,0|2,0,0]=4 16751 B10R1.10 OC1CCCN(C1)CCF 2230a_100000211013_100011217306 [0,1,0,1,0,0|2,0,0]=4 16752 B10R1.10 OC1CCCN(C1)CCF 269982a_100000211013_100011217306 [0,1,0,1,0,0|2,0,0]=4 16753 B10R1.10 OCCN1CCCC(C1)F 2230a_100000697950_100000211926 [0,1,0,1,0,0|1,0,0]=3 16754 B10R1.10 OCCN1CCCC(C1)F 269982a_100000697950_100000211926 [0,1,0,1,0,0|1,0,0]=3 16755 B10R1.10 OCCN1CCCC(C1)F 34a_100000697950_100000211926 [0,1,0,1,0,0|1,0,0]=3 16756 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [0,1,0,1,0,0|1,0,0]=3 16757 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [0,1,0,1,0,0|1,0,0]=3 16758 B10R1.10 OCCN1CCOC(C1)O 2230a_100000688207_100000211926 [0,1,0,1,0,0|2,0,0]=4 16759 B10R1.10 OCCN1CCOC(C1)O 269982a_100000688207_100000211926 [0,1,0,1,0,0|2,0,0]=4 16760 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [0,1,0,1,0,0|1,0,0]=3 16761 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [0,1,0,1,0,0|1,0,0]=3 16762 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [0,1,0,1,0,0|1,0,0]=3 16763 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,1,0,0|1,0,0]=3 16764 B10R1.16 CC1CCC(C1)NCCO 270004a_100000210304_100011215218 [0,1,0,1,0,0|1,0,0]=3 16765 B10R1.16 CC1CCC(C1)OCCF 34a_100000698185_100011217306 [0,1,0,1,0,0|2,0,0]=4 16766 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [0,1,0,1,0,0|1,0,0]=3 16767 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,1,0,1,0,0|1,0,0]=3 16768 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,1,0,1,0,0|1,0,0]=3 16769 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,1,0,1,0,0|2,0,0]=4 16770 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,1,0,1,0,0|2,0,0]=4 16771 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,1,0,1,0,0|2,0,0]=4 16772 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,1,0,1,0,0|2,0,0]=4 16773 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,1,0,1,0,0|2,0,0]=4 16774 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,1,0,1,0,0|2,0,0]=4 16775 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,1,0,1,0,0|2,0,0]=4 16776 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,1,0,0|1,0,0]=3 16777 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,1,0,0|1,0,0]=3 16778 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,1,0,0|2,0,0]=4 16779 B10R1.16 CCOCN1CCC(C1)O 269982a_100011215560_100000739092 [0,1,0,1,0,0|2,0,0]=4 16780 B10R1.16 CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210202 [0,1,0,1,0,0|2,0,0]=4 16781 B10R1.16 CN1CCC(C1)SCCO 62a_100000211926_200012183744 [0,1,0,1,0,0|2,0,0]=4 16782 B10R1.16 COCCN1CCC(C1)O 2230a_100011215560_100011201679 [0,1,0,1,0,0|2,0,0]=4 16783 B10R1.16 COCCN1CCC(C1)O 269982a_100011215560_100000233755 [0,1,0,1,0,0|2,0,0]=4 16784 B10R1.16 COCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766300 [0,1,0,1,0,0|2,0,0]=4 16785 B10R1.16 CSCCN1CCC(C1)O 2230a_100011215560_100000751147 [0,1,0,1,0,0|2,0,0]=4 16786 B10R1.16 CSCCN1CCC(C1)O 269982a_100011215560_100000212216 [0,1,0,1,0,0|2,0,0]=4 16787 B10R1.16 CSCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218213 [0,1,0,1,0,0|2,0,0]=4 16788 B10R1.16 C[C@@H]1CCN(C1)CCCF 2230a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 16789 B10R1.16 C[C@@H]1CCN(C1)CCCF 269982a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 16790 B10R1.16 C[C@@H]1CCN(C1)CCCF 34a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 16791 B10R1.16 C[C@@H]1CCN(C1)CCCO 2230a_100016987628_100000230001 [0,1,0,1,0,0|1,0,0]=3 16792 B10R1.16 C[C@@H]1CCN(C1)CCCO 269982a_100016987628_100011215043 [0,1,0,1,0,0|1,0,0]=3 16793 B10R1.16 C[C@@H]1CCN(C1)CCCO 34a_100016987628_100000230001 [0,1,0,1,0,0|1,0,0]=3 16794 B10R1.16 FCCCN1CC[C@@H](C1)F 2230a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 16795 B10R1.16 FCCCN1CC[C@@H](C1)F 269982a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 16796 B10R1.16 FCCCN1CC[C@@H](C1)F 34a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 16797 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|1,0,1]=4 16798 B10R1.16 OC1CCN(C1)CCCF 2230a_100011215560_100011934791 [0,1,0,1,0,0|2,0,0]=4 16799 B10R1.16 OC1CCN(C1)CCCF 269982a_100011215560_100011934791 [0,1,0,1,0,0|2,0,0]=4 16800 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [0,1,0,1,0,0|1,0,0]=3 16801 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [0,1,0,1,0,0|1,0,0]=3 16802 B10R1.16 OCCCN1CC[C@@H](C1)F 2230a_100015203821_100000230001 [0,1,0,1,0,0|1,0,0]=3 16803 B10R1.16 OCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215043 [0,1,0,1,0,0|1,0,0]=3 16804 B10R1.16 OCCCN1CC[C@@H](C1)F 34a_100015203821_100000230001 [0,1,0,1,0,0|1,0,0]=3 16805 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [0,1,0,1,0,0|1,0,0]=3 16806 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [0,1,0,1,0,0|1,0,0]=3 16807 B10R1.16 O[C@@H]1CC[C@@H](C1)NCCF 2230a_100015195300_100011217306 [0,1,0,1,0,0|2,0,0]=4 16808 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|0,0,2]=4 16809 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|0,0,2]=4 16810 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|0,0,1]=3 16811 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|0,0,1]=3 16812 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,1,0,1,0,0|2,0,0]=4 16813 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,1,0,1,0,0|2,0,0]=4 16814 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,1,0,1,0,0|2,0,0]=4 16815 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,1,0,1,0,0|2,0,0]=4 16816 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,1,0,1,0,0|2,0,0]=4 16817 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,1,0,1,0,0|2,0,0]=4 16818 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [0,1,0,1,0,0|1,0,0]=3 16819 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,1,0,1,0,0|2,0,0]=4 16820 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,1,0,1,0,0|2,0,0]=4 16821 B10R1.18 CC(O)CN1CCCOC1 2230a_100000131196_100011218427 [0,1,0,1,0,0|2,0,0]=4 16822 B10R1.18 CC(O)CN1CCCOC1 269982a_100000131196_100011218427 [0,1,0,1,0,0|2,0,0]=4 16823 B10R1.18 CC(O)CN1CCCOC1 34a_100000131196_100011218427 [0,1,0,1,0,0|2,0,0]=4 16824 B10R1.18 CC(O)CN1CCOCC1 2230a_100015191051_100011218427 [0,1,0,1,0,0|2,0,0]=4 16825 B10R1.18 CC(O)CN1CCOCC1 269982a_100015191051_100011218427 [0,1,0,1,0,0|2,0,0]=4 16826 B10R1.18 CC(O)CN1CCOCC1 34a_100015191051_100011218427 [0,1,0,1,0,0|2,0,0]=4 16827 B10R1.18 CC(O)CN1CCSCC1 2230a_100000737611_100011218427 [0,1,0,1,0,0|2,0,0]=4 16828 B10R1.18 CC(O)CN1CCSCC1 269982a_100000737611_100011218427 [0,1,0,1,0,0|2,0,0]=4 16829 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16830 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 16831 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16832 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 16833 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16834 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [0,1,0,1,0,0|1,0,0]=3 16835 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [0,1,0,1,0,0|1,0,0]=3 16836 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [0,1,0,1,0,0|1,0,0]=3 16837 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [0,1,0,1,0,0|1,0,0]=3 16838 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [0,1,0,1,0,0|1,0,0]=3 16839 B10R1.18 CN(C)CC1COCCO1 2230a_100011398995_200000210301 [0,1,0,1,0,0|2,0,0]=4 16840 B10R1.18 CN(C)CC1COCCO1 269982a_100011398995_200000210301 [0,1,0,1,0,0|2,0,0]=4 16841 B10R1.18 CN(C)CC1COCCO1 34a_100011398995_200000210301 [0,1,0,1,0,0|2,0,0]=4 16842 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16843 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16844 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16845 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [0,1,0,1,0,0|1,0,0]=3 16846 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [0,1,0,1,0,0|1,0,0]=3 16847 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [0,1,0,1,0,0|1,0,0]=3 16848 B10R1.18 CN([13CH3])CC1COCCO1 2230a_100011398995_200025704644 [0,1,0,1,0,0|2,0,0]=4 16849 B10R1.18 CN([13CH3])CC1COCCO1 269982a_100011398995_200025704644 [0,1,0,1,0,0|2,0,0]=4 16850 B10R1.18 CN([13CH3])CC1COCCO1 34a_100011398995_200025704644 [0,1,0,1,0,0|2,0,0]=4 16851 B10R1.18 C[C@@H](O)CN1CCCOC1 2230a_100000131196_100009817552 [0,1,0,1,0,0|2,0,0]=4 16852 B10R1.18 C[C@@H](O)CN1CCCOC1 269982a_100000131196_100009817552 [0,1,0,1,0,0|2,0,0]=4 16853 B10R1.18 C[C@@H](O)CN1CCCOC1 34a_100000131196_100009817552 [0,1,0,1,0,0|2,0,0]=4 16854 B10R1.18 C[C@@H](O)CN1CCOCC1 2230a_100015191051_100009817552 [0,1,0,1,0,0|2,0,0]=4 16855 B10R1.18 C[C@@H](O)CN1CCOCC1 269982a_100015191051_100009817552 [0,1,0,1,0,0|2,0,0]=4 16856 B10R1.18 C[C@@H](O)CN1CCOCC1 34a_100015191051_100009817552 [0,1,0,1,0,0|2,0,0]=4 16857 B10R1.18 C[C@@H](O)CN1CCSCC1 2230a_100000737611_100009817552 [0,1,0,1,0,0|2,0,0]=4 16858 B10R1.18 C[C@@H](O)CN1CCSCC1 269982a_100000737611_100009817552 [0,1,0,1,0,0|2,0,0]=4 16859 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|0,0,2]=4 16860 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|0,0,1]=3 16861 B10R1.24 C=C1CC(C1)CNCCO 2230a_100102567296_100000211926 [0,1,0,1,0,0|1,0,1]=4 16862 B10R1.24 C=C1CC(C1)CNCCO 34a_100102567296_100000211926 [0,1,0,1,0,0|1,0,1]=4 16863 B10R1.24 C=C1CC(C1)COCCO 34a_100011011225_100000211926 [0,1,0,1,0,0|1,0,1]=4 16864 B10R1.24 C=C1CC(C1)NCCCO 2230a_100132301982_100000230001 [0,1,0,1,0,0|1,0,1]=4 16865 B10R1.24 CC1CN(C1)CCCCF 2230a_100000702820_100000729493 [0,1,0,1,0,0|2,0,0]=4 16866 B10R1.24 CC1CN(C1)CCCCF 269982a_100000702820_100000729493 [0,1,0,1,0,0|2,0,0]=4 16867 B10R1.24 CC1CN(C1)CCCCF 34a_100000702820_100000729493 [0,1,0,1,0,0|2,0,0]=4 16868 B10R1.24 CC1CN(C1)CCCCO 2230a_100000702820_100000210776 [0,1,0,1,0,0|1,0,0]=3 16869 B10R1.24 CC1CN(C1)CCCCO 269982a_100000702820_100000210776 [0,1,0,1,0,0|1,0,0]=3 16870 B10R1.24 CC1CN(C1)CCCCO 34a_100000702820_100011216708 [0,1,0,1,0,0|1,0,0]=3 16871 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [0,1,0,1,0,0|2,0,0]=4 16872 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [0,1,0,1,0,0|2,0,0]=4 16873 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [0,1,0,1,0,0|2,0,0]=4 16874 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [0,1,0,1,0,0|2,0,0]=4 16875 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [0,1,0,1,0,0|2,0,0]=4 16876 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [0,1,0,1,0,0|2,0,0]=4 16877 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,1,0,1,0,0|1,0,0]=3 16878 B10R1.24 CCCCNC1CC(C1)F 2230a_100016993743_100000210211 [0,1,0,1,0,0|2,0,0]=4 16879 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [0,1,0,1,0,0|1,0,0]=3 16880 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [0,1,0,1,0,0|1,0,0]=3 16881 B10R1.24 CCCOCC1CC(C1)Cl 34a_100009874164_100000210303 [0,1,0,1,0,0|2,0,0]=4 16882 B10R1.24 CCOCCN1CC(C1)O 269982a_100000749847_100011215890 [0,1,0,1,0,0|2,0,0]=4 16883 B10R1.24 CCSCCN1CC(C1)O 269982a_100000749847_100000757381 [0,1,0,1,0,0|2,0,0]=4 16884 B10R1.24 COCCCN1CC(C1)O 269982a_100000749847_100000740836 [0,1,0,1,0,0|2,0,0]=4 16885 B10R1.24 COCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011201679 [0,1,0,1,0,0|2,0,0]=4 16886 B10R1.24 COCNCC1CC(C1)O 2230a_100016992100_100000766300 [0,1,0,1,0,0|2,0,0]=4 16887 B10R1.24 CSCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000751147 [0,1,0,1,0,0|2,0,0]=4 16888 B10R1.24 CSCNCC1CC(C1)O 2230a_100016992100_100011218213 [0,1,0,1,0,0|2,0,0]=4 16889 B10R1.24 FCCCCN1CC(C1)F 2230a_100000690557_100000729493 [0,1,0,1,0,0|2,0,0]=4 16890 B10R1.24 FCCCCN1CC(C1)F 269982a_100000690557_100000729493 [0,1,0,1,0,0|2,0,0]=4 16891 B10R1.24 FCCCCN1CC(C1)F 34a_100000690557_100000729493 [0,1,0,1,0,0|2,0,0]=4 16892 B10R1.24 FCCCNC1CC(C1)F 2230a_100016993743_100011934791 [0,1,0,1,0,0|2,0,0]=4 16893 B10R1.24 FCCOCC1CC(C1)Cl 34a_100009874164_100011217306 [0,1,0,1,0,0|2,0,0]=4 16894 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,1,0,1,0,0|1,0,1]=4 16895 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,1,0,1,0,0|1,0,1]=4 16896 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,1,0,1,0,0|1,0,1]=4 16897 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,1,0,1,0,0|1,0,1]=4 16898 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,1,0,1,0,0|1,0,1]=4 16899 B10R1.24 OC1CC(C1)CNCCF 2230a_100016992100_100011217306 [0,1,0,1,0,0|2,0,0]=4 16900 B10R1.24 OC1CN(C1)CCCCF 269982a_100000749847_100000729493 [0,1,0,1,0,0|2,0,0]=4 16901 B10R1.24 OCCCCN1CC(C1)F 2230a_100000690557_100000210776 [0,1,0,1,0,0|1,0,0]=3 16902 B10R1.24 OCCCCN1CC(C1)F 269982a_100000690557_100000210776 [0,1,0,1,0,0|1,0,0]=3 16903 B10R1.24 OCCCCN1CC(C1)F 34a_100000690557_100011216708 [0,1,0,1,0,0|1,0,0]=3 16904 B10R1.24 OCCCCN1CC(C1)O 269982a_100000749847_100000210776 [0,1,0,1,0,0|1,0,0]=3 16905 B10R1.24 OCCCNC1CC(C1)F 2230a_100016993743_100000230001 [0,1,0,1,0,0|1,0,0]=3 16906 B10R1.24 OCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000230001 [0,1,0,1,0,0|1,0,0]=3 16907 B10R1.24 OCCNCC1CC(C1)O 2230a_100016992100_100000211926 [0,1,0,1,0,0|1,0,0]=3 16908 B10R1.24 OCCOCC1CC(C1)Cl 34a_100009874164_100000211926 [0,1,0,1,0,0|1,0,0]=3 16909 B10R1.24 O[C@H]1C[C@@H](C1)NCCCF 2230a_100020629032_100011934791 [0,1,0,1,0,0|2,0,0]=4 16910 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [0,1,0,1,0,0|2,0,0]=4 16911 B10R1.38 CNC1CCCCC1(F)F 2230a_100000686509_200000210301 [0,1,0,1,0,0|2,0,0]=4 16912 B10R1.38 CNC1CCCCC1(F)F 34a_100000686509_200000210301 [0,1,0,1,0,0|2,0,0]=4 16913 B10R1.38 CNC1CCCCC1(F)F 34a_100102657272_200009832135 [0,1,0,1,0,0|2,0,0]=4 16914 B10R1.38 COC1CCCCC1(F)F 34a_100138415774_200009832135 [0,1,0,1,0,0|2,0,0]=4 16915 B10R1.38 CSC1CCCCC1(F)F 62a_200000210301_200009832135 [0,1,0,1,0,0|2,0,0]=4 16916 B10R1.38 CSC1CCCCC1(F)F 62a_200009832135_200000210301 [0,1,0,1,0,0|2,0,0]=4 16917 B10R1.38 [13CH3]NC1CCCCC1(F)F 2230a_100000686509_200025704644 [0,1,0,1,0,0|2,0,0]=4 16918 B10R1.38 [13CH3]NC1CCCCC1(F)F 34a_100000686509_200025704644 [0,1,0,1,0,0|2,0,0]=4 16919 B10R1.38 [13CH3]SC1CCCCC1(F)F 62a_200009832135_200025704644 [0,1,0,1,0,0|2,0,0]=4 16920 B10R1.38 [13CH3]SC1CCCCC1(F)F 62a_200025704644_200009832135 [0,1,0,1,0,0|2,0,0]=4 16921 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|1,0,1]=4 16922 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|1,0,1]=4 16923 B10R1.39 CC(C)C1CCCN1CF 269982a_100000762757_100015361967 [0,1,0,1,0,0|2,0,0]=4 16924 B10R1.39 CC(C)C1CCCN1CF 34a_100000762757_100015361967 [0,1,0,1,0,0|2,0,0]=4 16925 B10R1.39 CC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000210206 [0,1,0,1,0,0|1,0,0]=3 16926 B10R1.39 CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000210206 [0,1,0,1,0,0|1,0,0]=3 16927 B10R1.39 CC(C)N1CCC[C@@H]1CO 34a_100000745186_100000210206 [0,1,0,1,0,0|1,0,0]=3 16928 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [0,1,0,1,0,0|2,0,0]=4 16929 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [0,1,0,1,0,0|2,0,0]=4 16930 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [0,1,0,1,0,0|2,0,0]=4 16931 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [0,1,0,1,0,0|2,0,0]=4 16932 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [0,1,0,1,0,0|2,0,0]=4 16933 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [0,1,0,1,0,0|2,0,0]=4 16934 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [0,1,0,1,0,0|2,0,0]=4 16935 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|1,0,1]=4 16936 B10R1.56 C#CCCOCC1CC1C 34a_100000744939_100000688953 [0,1,0,1,0,0|1,0,1]=4 16937 B10R1.56 C#CCCOCC1CC1C 7a_100000744939_100000688953 [0,1,0,1,0,0|1,0,1]=4 16938 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,1,0,1,0,0|1,0,1]=4 16939 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,1,0,1,0,0|1,0,1]=4 16940 B10R1.56 CC1CC1COCCC#N 7a_100000744939_100000184422 [0,1,0,1,0,0|1,0,1]=4 16941 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,1,0,1,0,0|1,0,0]=3 16942 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,1,0,1,0,0|1,0,0]=3 16943 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,1,0,1,0,0|0,0,0]=2 16944 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,1,0,1,0,0|0,0,0]=2 16945 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,1,0,1,0,0|1,0,0]=3 16946 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,1,0,1,0,0|1,0,0]=3 16947 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,1,0,1,0,0|1,0,0]=3 16948 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,1,0,1,0,0|1,0,0]=3 16949 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,1,0,1,0,0|1,0,0]=3 16950 B10R1.56 CCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215890 [0,1,0,1,0,0|2,0,0]=4 16951 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215890 [0,1,0,1,0,0|2,0,0]=4 16952 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210147 [0,1,0,1,0,0|2,0,0]=4 16953 B10R1.56 CCSCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000757381 [0,1,0,1,0,0|2,0,0]=4 16954 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000757381 [0,1,0,1,0,0|2,0,0]=4 16955 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757381 [0,1,0,1,0,0|2,0,0]=4 16956 B10R1.56 COCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000740836 [0,1,0,1,0,0|2,0,0]=4 16957 B10R1.56 COCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000740836 [0,1,0,1,0,0|2,0,0]=4 16958 B10R1.56 COCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000740836 [0,1,0,1,0,0|2,0,0]=4 16959 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,1,0,1,0,0|1,0,0]=3 16960 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,1,0,1,0,0|1,0,0]=3 16961 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,1,0,1,0,0|1,1,0]=4 16962 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,1,0,1,0,0|1,1,0]=4 16963 B10R1.56 FCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729493 [0,1,0,1,0,0|2,0,0]=4 16964 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729493 [0,1,0,1,0,0|2,0,0]=4 16965 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729493 [0,1,0,1,0,0|2,0,0]=4 16966 B10R1.56 OCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210776 [0,1,0,1,0,0|1,0,0]=3 16967 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210776 [0,1,0,1,0,0|1,0,0]=3 16968 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216708 [0,1,0,1,0,0|1,0,0]=3 16969 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|0,0,2]=4 16970 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|0,0,1]=3 16971 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [0,1,0,1,0,0|2,0,0]=4 16972 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [0,1,0,1,0,0|2,0,0]=4 16973 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [0,1,0,1,0,0|2,0,0]=4 16974 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [0,1,0,1,0,0|2,0,0]=4 16975 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [0,1,0,1,0,0|2,0,0]=4 16976 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [0,1,0,1,0,0|2,0,0]=4 16977 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [0,1,0,1,0,0|2,0,0]=4 16978 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [0,1,0,1,0,0|2,0,0]=4 16979 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [0,1,0,1,0,0|2,0,0]=4 16980 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|0,0,2]=4 16981 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,1,0,1,0,0|2,0,0]=4 16982 B10R1.61 CN(C)C1CCCCC1F 269982a_100102631434_100015423560 [0,1,0,1,0,0|2,0,0]=4 16983 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [0,1,0,1,0,0|1,0,0]=3 16984 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [0,1,0,1,0,0|1,0,0]=3 16985 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [0,1,0,1,0,0|1,0,0]=3 16986 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|1,0,1]=4 16987 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|0,0,1]=3 16988 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|1,0,1]=4 16989 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|1,0,1]=4 16990 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|1,0,1]=4 16991 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [0,1,0,1,0,0|2,0,0]=4 16992 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [0,1,0,1,0,0|2,0,0]=4 16993 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [0,1,0,1,0,0|2,0,0]=4 16994 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [0,1,0,1,0,0|2,0,0]=4 16995 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [0,1,0,1,0,0|2,0,0]=4 16996 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [0,1,0,1,0,0|2,0,0]=4 16997 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [0,1,0,1,0,0|2,0,0]=4 16998 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [0,1,0,1,0,0|2,0,0]=4 16999 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [0,1,0,1,0,0|2,0,0]=4 17000 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [0,1,0,1,0,0|2,0,0]=4 17001 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [0,1,0,1,0,0|2,0,0]=4 17002 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [0,1,0,1,0,0|2,0,0]=4 17003 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [0,1,0,1,0,0|2,0,0]=4 17004 B10R1.64 CC(C)NC1COCC1O 34a_100138425928_200000725654 [0,1,0,1,0,0|2,0,0]=4 17005 B10R1.64 CC(C)N[C@H]1COC[C@@H]1O 2230a_100015191717_100000210206 [0,1,0,1,0,0|2,0,0]=4 17006 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [0,1,0,1,0,0|2,0,0]=4 17007 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [0,1,0,1,0,0|2,0,0]=4 17008 B10R1.64 CC(C)OC1COCC1O 34a_100000212225_200000725654 [0,1,0,1,0,0|2,0,0]=4 17009 B10R1.64 CC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210206 [0,1,0,1,0,0|2,0,0]=4 17010 B10R1.64 CC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000210206 [0,1,0,1,0,0|2,0,0]=4 17011 B10R1.64 CC(C)SC1COCC1O 62a_100000210206_200000725654 [0,1,0,1,0,0|2,0,0]=4 17012 B10R1.64 CC(C)SC1COCC1O 62a_200000725654_100000210206 [0,1,0,1,0,0|2,0,0]=4 17013 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_100000210206_200016002552 [0,1,0,1,0,0|1,0,0]=3 17014 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000210206 [0,1,0,1,0,0|1,0,0]=3 17015 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [0,1,0,1,0,0|1,0,0]=3 17016 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [0,1,0,1,0,0|1,0,0]=3 17017 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [0,1,0,1,0,0|1,0,0]=3 17018 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [0,1,0,1,0,0|1,0,0]=3 17019 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [0,1,0,1,0,0|1,0,0]=3 17020 B10R1.64 CC(O)CN1CCSC1C 2230a_200011216479_100011218427 [0,1,0,1,0,0|2,0,0]=4 17021 B10R1.64 CC(O)CN1CCSC1C 269982a_200011216479_100011218427 [0,1,0,1,0,0|2,0,0]=4 17022 B10R1.64 CC(O)CN1CCSC1C 34a_200011216479_100011218427 [0,1,0,1,0,0|2,0,0]=4 17023 B10R1.64 CC1SCCN1C[C@@H](C)O 2230a_200011216479_100009817552 [0,1,0,1,0,0|2,0,0]=4 17024 B10R1.64 CC1SCCN1C[C@@H](C)O 269982a_200011216479_100009817552 [0,1,0,1,0,0|2,0,0]=4 17025 B10R1.64 CC1SCCN1C[C@@H](C)O 34a_200011216479_100009817552 [0,1,0,1,0,0|2,0,0]=4 17026 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [0,1,0,1,0,0|1,0,0]=3 17027 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [0,1,0,1,0,0|1,0,0]=3 17028 B10R1.64 C[C@@H]1CCCN1CC(F)F 2230a_100015189458_100011934356 [0,1,0,1,0,0|2,0,0]=4 17029 B10R1.64 C[C@@H]1CCCN1CC(F)F 269982a_100015189458_100011934356 [0,1,0,1,0,0|2,0,0]=4 17030 B10R1.64 C[C@@H]1CCCN1CC(F)F 34a_100015189458_100011934356 [0,1,0,1,0,0|2,0,0]=4 17031 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [0,1,0,1,0,0|1,0,0]=3 17032 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [0,1,0,1,0,0|1,0,0]=3 17033 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [0,1,0,1,0,0|1,0,0]=3 17034 B10R1.64 C[C@H]1CCCN1CC(F)F 2230a_100020605311_100011934356 [0,1,0,1,0,0|2,0,0]=4 17035 B10R1.64 C[C@H]1CCCN1CC(F)F 269982a_100020605311_100011934356 [0,1,0,1,0,0|2,0,0]=4 17036 B10R1.66 C=C(C)COC1CCCO1 34a_100000085407_100000748629 [0,1,0,1,0,0|1,0,1]=4 17037 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|0,0,2]=4 17038 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|0,0,2]=4 17039 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|0,0,1]=3 17040 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,1,0,1,0,0|1,0,1]=4 17041 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,1,0,1,0,0|1,0,1]=4 17042 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,1,0,1,0,0|1,0,1]=4 17043 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|1,0,1]=4 17044 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|1,0,1]=4 17045 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|1,0,1]=4 17046 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|1,0,1]=4 17047 B10R1.66 CC(Br)COC1CCCC1 34a_100012180447_100000179811 [0,1,0,1,0,0|2,0,0]=4 17048 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [0,1,0,1,0,0|2,0,0]=4 17049 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [0,1,0,1,0,0|2,0,0]=4 17050 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [0,1,0,1,0,0|2,0,0]=4 17051 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [0,1,0,1,0,0|2,0,0]=4 17052 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [0,1,0,1,0,0|2,0,0]=4 17053 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [0,1,0,1,0,0|2,0,0]=4 17054 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [0,1,0,1,0,0|2,0,0]=4 17055 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [0,1,0,1,0,0|2,0,0]=4 17056 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [0,1,0,1,0,0|2,0,0]=4 17057 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [0,1,0,1,0,0|2,0,0]=4 17058 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [0,1,0,1,0,0|2,0,0]=4 17059 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [0,1,0,1,0,0|1,0,0]=3 17060 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [0,1,0,1,0,0|2,0,0]=4 17061 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [0,1,0,1,0,0|2,0,0]=4 17062 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [0,1,0,1,0,0|2,0,0]=4 17063 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [0,1,0,1,0,0|2,0,0]=4 17064 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [0,1,0,1,0,0|2,0,0]=4 17065 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [0,1,0,1,0,0|2,0,0]=4 17066 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [0,1,0,1,0,0|1,0,0]=3 17067 B10R1.66 CC(C)NCC1OCCO1 2230a_100000036311_100000210206 [0,1,0,1,0,0|2,0,0]=4 17068 B10R1.66 CC(C)NCC1OCCO1 2230a_100138425928_100000755774 [0,1,0,1,0,0|2,0,0]=4 17069 B10R1.66 CC(C)NCC1OCCO1 34a_100000036311_100000210206 [0,1,0,1,0,0|2,0,0]=4 17070 B10R1.66 CC(C)NCC1OCCO1 34a_100138425928_100000755774 [0,1,0,1,0,0|2,0,0]=4 17071 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [0,1,0,1,0,0|1,0,0]=3 17072 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [0,1,0,1,0,0|1,0,0]=3 17073 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [0,1,0,1,0,0|2,0,0]=4 17074 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [0,1,0,1,0,0|2,0,0]=4 17075 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [0,1,0,1,0,0|2,0,0]=4 17076 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [0,1,0,1,0,0|1,0,0]=3 17077 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [0,1,0,1,0,0|1,0,0]=3 17078 B10R1.66 CC(C)OCC1COCO1 34a_100011216627_100000210206 [0,1,0,1,0,0|2,0,0]=4 17079 B10R1.66 CC(C)OCC1OCCO1 34a_100000087154_100000210206 [0,1,0,1,0,0|2,0,0]=4 17080 B10R1.66 CC(C)OCC1OCCO1 34a_100000212225_100000755774 [0,1,0,1,0,0|2,0,0]=4 17081 B10R1.66 CC(C)OC[C@H]1CCCN1 34a_100000745186_100000210206 [0,1,0,1,0,0|2,0,0]=4 17082 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [0,1,0,1,0,0|2,0,0]=4 17083 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [0,1,0,1,0,0|2,0,0]=4 17084 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [0,1,0,1,0,0|1,0,0]=3 17085 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [0,1,0,1,0,0|1,0,0]=3 17086 B10R1.66 CC(C)SCC1OCCO1 62a_100000210206_100000755774 [0,1,0,1,0,0|2,0,0]=4 17087 B10R1.66 CC(C)SCC1OCCO1 62a_100000755774_100000210206 [0,1,0,1,0,0|2,0,0]=4 17088 B10R1.66 CC(F)COC1CCCC1 34a_100015925927_100000179811 [0,1,0,1,0,0|2,0,0]=4 17089 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [0,1,0,1,0,0|1,0,0]=3 17090 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [0,1,0,1,0,0|1,0,0]=3 17091 B10R1.66 CC(O)CCN1CCSC1 2230a_100011215254_100012276601 [0,1,0,1,0,0|2,0,0]=4 17092 B10R1.66 CC(O)CCN1CCSC1 269982a_100011215254_100012276601 [0,1,0,1,0,0|2,0,0]=4 17093 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,1,0,1,0,0|1,0,0]=3 17094 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,1,0,1,0,0|1,0,0]=3 17095 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,1,0,1,0,0|1,0,0]=3 17096 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|1,0,0]=3 17097 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,1,0,1,0,0|1,0,0]=3 17098 B10R1.66 CC(O)CNC1CCOC1 2230a_100000210904_100000731011 [0,1,0,1,0,0|2,0,0]=4 17099 B10R1.66 CC(O)CNC1CCOC1 270004a_100000210904_100000752484 [0,1,0,1,0,0|2,0,0]=4 17100 B10R1.66 CC(O)CNC1CCOC1 34a_100000210904_100000690089 [0,1,0,1,0,0|2,0,0]=4 17101 B10R1.66 CC(O)CNC1CCSC1 270004a_100000210904_100000212027 [0,1,0,1,0,0|2,0,0]=4 17102 B10R1.66 CC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218427 [0,1,0,1,0,0|2,0,0]=4 17103 B10R1.66 CC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218427 [0,1,0,1,0,0|2,0,0]=4 17104 B10R1.66 CC(O)CN[C@H]1CCOC1 34a_100015188467_100011218427 [0,1,0,1,0,0|2,0,0]=4 17105 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,1,0,1,0,0|1,0,0]=3 17106 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,1,0,1,0,0|1,0,0]=3 17107 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [0,1,0,1,0,0|1,0,0]=3 17108 B10R1.66 CC(O)COC1CCSC1 7a_100011232664_100011218427 [0,1,0,1,0,0|2,0,0]=4 17109 B10R1.66 CC(O)CO[C@H]1CCOC1 34a_100000717292_100011218427 [0,1,0,1,0,0|2,0,0]=4 17110 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,1,0,1,0,0|1,0,0]=3 17111 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,1,0,1,0,0|1,0,0]=3 17112 B10R1.66 CC(O)CSC1CCOC1 62a_100011218427_100000690089 [0,1,0,1,0,0|2,0,0]=4 17113 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 17114 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 17115 B10R1.66 CN(C)CCC1OCCO1 2230a_100102631434_100000740749 [0,1,0,1,0,0|2,0,0]=4 17116 B10R1.66 CN(C)CCC1OCCO1 269982a_100102631434_100000740749 [0,1,0,1,0,0|2,0,0]=4 17117 B10R1.66 C[C@@H](Cl)COC1CCCC1 34a_100016084084_100000179811 [0,1,0,1,0,0|2,0,0]=4 17118 B10R1.66 C[C@@H](N)COC1CCCC1 34a_100000737577_100000179811 [0,1,0,1,0,0|2,0,0]=4 17119 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,1,0,1,0,0|1,0,0]=3 17120 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,1,0,1,0,0|1,0,0]=3 17121 B10R1.66 C[C@@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009817552 [0,1,0,1,0,0|2,0,0]=4 17122 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009817552 [0,1,0,1,0,0|2,0,0]=4 17123 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 34a_100015188467_100009817552 [0,1,0,1,0,0|2,0,0]=4 17124 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,1,0,1,0,0|1,0,0]=3 17125 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,1,0,1,0,0|1,0,0]=3 17126 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [0,1,0,1,0,0|1,0,0]=3 17127 B10R1.66 C[C@@H](O)COC1CCSC1 7a_100011232664_100009817552 [0,1,0,1,0,0|2,0,0]=4 17128 B10R1.66 C[C@@H](O)CO[C@H]1CCOC1 34a_100000717292_100009817552 [0,1,0,1,0,0|2,0,0]=4 17129 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,1,0,1,0,0|1,0,0]=3 17130 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,1,0,1,0,0|1,0,0]=3 17131 B10R1.66 C[C@@H](O)CSC1CCOC1 62a_100009817552_100000690089 [0,1,0,1,0,0|2,0,0]=4 17132 B10R1.66 FC(F)CNC1CCCC1 2230a_100000211070_100011934356 [0,1,0,1,0,0|2,0,0]=4 17133 B10R1.66 FC(F)CNC1CCCC1 270004a_100000765723_100000210133 [0,1,0,1,0,0|2,0,0]=4 17134 B10R1.66 FC(F)CNC1CCCC1 34a_100000211070_100011934356 [0,1,0,1,0,0|2,0,0]=4 17135 B10R1.66 FC(F)CNC1CCCC1 34a_100000765723_100000179811 [0,1,0,1,0,0|2,0,0]=4 17136 B10R1.66 FC(F)COC1CCCC1 34a_100000210269_100011934356 [0,1,0,1,0,0|2,0,0]=4 17137 B10R1.66 FC(F)COC1CCCC1 34a_100000743014_100000179811 [0,1,0,1,0,0|2,0,0]=4 17138 B10R1.66 FC(F)COC1CCCC1 7a_100000210269_100011934356 [0,1,0,1,0,0|2,0,0]=4 17139 B10R1.66 FC(F)COC1CCCO1 34a_100000085407_100011934356 [0,1,0,1,0,0|2,0,0]=4 17140 B10R1.66 FC(F)CSC1CCCC1 62a_100011217020_100011934356 [0,1,0,1,0,0|2,0,0]=4 17141 B10R1.66 FC(F)CSC1CCCC1 62a_100011934356_100000179811 [0,1,0,1,0,0|2,0,0]=4 17142 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|1,0,1]=4 17143 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|0,0,2]=4 17144 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|0,0,1]=3 17145 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,1,0,1,0,0|1,0,1]=4 17146 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,1,0,1,0,0|1,0,1]=4 17147 B10R1.73 CC(C)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210312 [0,1,0,1,0,0|2,0,0]=4 17148 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210312 [0,1,0,1,0,0|2,0,0]=4 17149 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210312 [0,1,0,1,0,0|2,0,0]=4 17150 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [0,1,0,1,0,0|2,0,0]=4 17151 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [0,1,0,1,0,0|2,0,0]=4 17152 B10R1.73 CC(O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012276601 [0,1,0,1,0,0|2,0,0]=4 17153 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100012276601 [0,1,0,1,0,0|2,0,0]=4 17154 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012276601 [0,1,0,1,0,0|2,0,0]=4 17155 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,1,0,1,0,0|1,0,0]=3 17156 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,1,0,1,0,0|1,0,0]=3 17157 B10R1.73 CC1CC1COCC(F)F 34a_100000744939_100011934356 [0,1,0,1,0,0|2,0,0]=4 17158 B10R1.73 CC1CC1COCC(F)F 7a_100000744939_100011934356 [0,1,0,1,0,0|2,0,0]=4 17159 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,1,0,1,0,0|1,0,0]=3 17160 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,1,0,1,0,0|1,0,0]=3 17161 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,1,0,1,0,0|1,0,0]=3 17162 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,1,0,1,0,0|1,0,0]=3 17163 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,1,0,1,0,0|1,0,0]=3 17164 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,1,0,1,0,0|1,0,0]=3 17165 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,1,0,1,0,0|1,0,0]=3 17166 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,1,0,1,0,0|1,0,0]=3 17167 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|1,0,1]=4 17168 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [0,1,0,1,0,0|2,0,0]=4 17169 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [0,1,0,1,0,0|2,0,0]=4 17170 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,1,0,1,0,0|1,0,0]=3 17171 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,1,0,1,0,0|1,0,0]=3 17172 B10R1.126 C=C(C)CCOCC1CO1 34a_100000764851_102125554688 [0,1,0,1,0,0|1,0,1]=4 17173 B10R1.126 C=C(C)CCOC[C@@H]1CO1 34a_100000757423_100000730704 [0,1,0,1,0,0|1,0,1]=4 17174 B10R1.126 C=C(C)CCSCC1CO1 62a_100000730704_102125554688 [0,1,0,1,0,0|1,0,1]=4 17175 B10R1.126 C=C(C)CCSCC1CO1 62a_102125554688_100000730704 [0,1,0,1,0,0|1,0,1]=4 17176 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000730704_100000745022 [0,1,0,1,0,0|1,0,1]=4 17177 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000745022_100000730704 [0,1,0,1,0,0|1,0,1]=4 17178 B10R1.126 C=C(C)COCCC1CO1 34a_100000210245_100000732470 [0,1,0,1,0,0|1,0,1]=4 17179 B10R1.126 C=C(C)COCC[C@@H]1CO1 34a_100009820653_100000748629 [0,1,0,1,0,0|1,0,1]=4 17180 B10R1.126 C=C(C)CSCCC1CO1 62a_100000732470_100000211660 [0,1,0,1,0,0|1,0,1]=4 17181 B10R1.126 C=C(C)CSCCC1CO1 62a_100000748629_100000732470 [0,1,0,1,0,0|1,0,1]=4 17182 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|1,0,1]=4 17183 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|1,0,1]=4 17184 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|1,0,1]=4 17185 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|1,0,1]=4 17186 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|1,0,1]=4 17187 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|1,0,1]=4 17188 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|1,0,1]=4 17189 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|1,0,1]=4 17190 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [0,1,0,1,0,0|2,0,0]=4 17191 B10R1.126 CC(Br)CCOCC1CO1 34a_100009893172_102125554688 [0,1,0,1,0,0|1,0,0]=3 17192 B10R1.126 CC(Br)COCCC1CC1 34a_100012180447_100000694398 [0,1,0,1,0,0|2,0,0]=4 17193 B10R1.126 CC(Br)COCCC1CO1 34a_100012180447_100000732470 [0,1,0,1,0,0|1,0,0]=3 17194 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [0,1,0,1,0,0|2,0,0]=4 17195 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [0,1,0,1,0,0|2,0,0]=4 17196 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [0,1,0,1,0,0|2,0,0]=4 17197 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [0,1,0,1,0,0|2,0,0]=4 17198 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [0,1,0,1,0,0|2,0,0]=4 17199 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [0,1,0,1,0,0|2,0,0]=4 17200 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [0,1,0,1,0,0|2,0,0]=4 17201 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [0,1,0,1,0,0|2,0,0]=4 17202 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [0,1,0,1,0,0|2,0,0]=4 17203 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [0,1,0,1,0,0|2,0,0]=4 17204 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [0,1,0,1,0,0|1,0,0]=3 17205 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [0,1,0,1,0,0|1,0,0]=3 17206 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [0,1,0,1,0,0|1,1,0]=4 17207 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [0,1,0,1,0,0|1,0,0]=3 17208 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [0,1,0,1,0,0|1,0,0]=3 17209 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [0,1,0,1,0,0|2,0,0]=4 17210 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [0,1,0,1,0,0|2,0,0]=4 17211 B10R1.126 CC(C)CCSCC1CO1 62a_100000210312_102125554688 [0,1,0,1,0,0|1,0,0]=3 17212 B10R1.126 CC(C)CCSCC1CO1 62a_102125554688_100000210312 [0,1,0,1,0,0|1,0,0]=3 17213 B10R1.126 CC(C)CCSCC1CS1 62a_100000031435_100000210312 [0,1,0,1,0,0|1,1,0]=4 17214 B10R1.126 CC(C)CCSCC1CS1 62a_100000210312_100000031435 [0,1,0,1,0,0|1,1,0]=4 17215 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000210312_100000745022 [0,1,0,1,0,0|1,0,0]=3 17216 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000745022_100000210312 [0,1,0,1,0,0|1,0,0]=3 17217 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [0,1,0,1,0,0|2,0,0]=4 17218 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [0,1,0,1,0,0|2,0,0]=4 17219 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [0,1,0,1,0,0|2,0,0]=4 17220 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [0,1,0,1,0,0|2,0,0]=4 17221 B10R1.126 CC(C)CNCCC1CO1 2230a_100000210953_100000732470 [0,1,0,1,0,0|1,0,0]=3 17222 B10R1.126 CC(C)CNCCC1CO1 34a_100000210953_100000732470 [0,1,0,1,0,0|1,0,0]=3 17223 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [0,1,0,1,0,0|2,0,0]=4 17224 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [0,1,0,1,0,0|2,0,0]=4 17225 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [0,1,0,1,0,0|2,0,0]=4 17226 B10R1.126 CC(C)COCCC1CO1 34a_100000210257_100000732470 [0,1,0,1,0,0|1,0,0]=3 17227 B10R1.126 CC(C)COCC[C@@H]1CO1 34a_100009820653_100000210624 [0,1,0,1,0,0|1,0,0]=3 17228 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [0,1,0,1,0,0|2,0,0]=4 17229 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [0,1,0,1,0,0|2,0,0]=4 17230 B10R1.126 CC(C)CSCCC1CO1 62a_100000210624_100000732470 [0,1,0,1,0,0|1,0,0]=3 17231 B10R1.126 CC(C)CSCCC1CO1 62a_100000732470_100000210760 [0,1,0,1,0,0|1,0,0]=3 17232 B10R1.126 CC(C)NCCCC1CO1 2230a_100138425928_100000733510 [0,1,0,1,0,0|1,0,0]=3 17233 B10R1.126 CC(C)NCCCC1CO1 34a_100138425928_100000733510 [0,1,0,1,0,0|1,0,0]=3 17234 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [0,1,0,1,0,0|1,0,0]=3 17235 B10R1.126 CC(C)OCOC[C@@H]1CO1 34a_100000757423_100000709892 [0,1,0,1,0,0|2,0,0]=4 17236 B10R1.126 CC(C)OCSCC1CO1 62a_100000709892_102125554688 [0,1,0,1,0,0|2,0,0]=4 17237 B10R1.126 CC(C)OCSCC1CO1 62a_102125554688_100000709892 [0,1,0,1,0,0|2,0,0]=4 17238 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000709892_100000745022 [0,1,0,1,0,0|2,0,0]=4 17239 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000745022_100000709892 [0,1,0,1,0,0|2,0,0]=4 17240 B10R1.126 CC(C)SCCCC1CO1 62a_100000210206_100000733510 [0,1,0,1,0,0|1,0,0]=3 17241 B10R1.126 CC(C)SCCCC1CO1 62a_100000733510_100000210206 [0,1,0,1,0,0|1,0,0]=3 17242 B10R1.126 CC(F)COCCC1CC1 34a_100015925927_100000694398 [0,1,0,1,0,0|2,0,0]=4 17243 B10R1.126 CC(F)COCCC1CO1 34a_100015925927_100000732470 [0,1,0,1,0,0|1,0,0]=3 17244 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,1,0,1,0,0|1,0,0]=3 17245 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,1,0,1,0,0|1,0,0]=3 17246 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,1,0,1,0,0|1,0,0]=3 17247 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,1,0,1,0,0|1,0,0]=3 17248 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,1,0,1,0,0|1,0,0]=3 17249 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,1,0,1,0,0|1,0,0]=3 17250 B10R1.126 CC(O)CCNCC1CO1 2230a_200000755665_100011216344 [0,1,0,1,0,0|1,0,0]=3 17251 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,1,0,1,0,0|1,0,0]=3 17252 B10R1.126 CC(O)CCOC[C@@H]1CO1 34a_100000757423_100012276601 [0,1,0,1,0,0|1,0,0]=3 17253 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,1,0,1,0,0|1,0,0]=3 17254 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,1,0,1,0,0|1,0,0]=3 17255 B10R1.126 CC(O)CCSCC1CO1 62a_100012276601_102125554688 [0,1,0,1,0,0|1,0,0]=3 17256 B10R1.126 CC(O)CCSCC1CO1 62a_102125554688_100012276601 [0,1,0,1,0,0|1,0,0]=3 17257 B10R1.126 CC(O)CCSCC1CS1 62a_100000031435_100012276601 [0,1,0,1,0,0|1,1,0]=4 17258 B10R1.126 CC(O)CCSCC1CS1 62a_100012276601_100000031435 [0,1,0,1,0,0|1,1,0]=4 17259 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100000745022_100012276601 [0,1,0,1,0,0|1,0,0]=3 17260 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100012276601_100000745022 [0,1,0,1,0,0|1,0,0]=3 17261 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,1,0,1,0,0|1,0,0]=3 17262 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|1,0,0]=3 17263 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,1,0,1,0,0|1,0,0]=3 17264 B10R1.126 CC(O)CNCCC1CO1 2230a_100000210904_100000732470 [0,1,0,1,0,0|1,0,0]=3 17265 B10R1.126 CC(O)CNCCC1CO1 34a_100000210904_100000732470 [0,1,0,1,0,0|1,0,0]=3 17266 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,1,0,1,0,0|1,0,0]=3 17267 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,1,0,1,0,0|1,0,0]=3 17268 B10R1.126 CC(O)COCC[C@@H]1CO1 34a_100009820653_100011218427 [0,1,0,1,0,0|1,0,0]=3 17269 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,1,0,1,0,0|1,0,0]=3 17270 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,1,0,1,0,0|1,0,0]=3 17271 B10R1.126 CC(O)CSCCC1CO1 62a_100000732470_100011218427 [0,1,0,1,0,0|1,0,0]=3 17272 B10R1.126 CC(O)CSCCC1CO1 62a_100011218427_100000732470 [0,1,0,1,0,0|1,0,0]=3 17273 B10R1.126 CN(C)CCSCC1CO1 62a_102125554688_100000755713 [0,1,0,1,0,0|2,0,0]=4 17274 B10R1.126 CN(C)CCSC[C@@H]1CO1 62a_100000745022_100000755713 [0,1,0,1,0,0|2,0,0]=4 17275 B10R1.126 C[C@@H](Cl)COCCC1CC1 34a_100016084084_100000694398 [0,1,0,1,0,0|2,0,0]=4 17276 B10R1.126 C[C@@H](Cl)COCCC1CO1 34a_100016084084_100000732470 [0,1,0,1,0,0|1,0,0]=3 17277 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [0,1,0,1,0,0|2,0,0]=4 17278 B10R1.126 C[C@@H](N)CCOCC1CO1 34a_100000706166_102125554688 [0,1,0,1,0,0|1,0,0]=3 17279 B10R1.126 C[C@@H](N)COCCC1CC1 34a_100000737577_100000694398 [0,1,0,1,0,0|2,0,0]=4 17280 B10R1.126 C[C@@H](N)COCCC1CO1 34a_100000737577_100000732470 [0,1,0,1,0,0|1,0,0]=3 17281 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,1,0,1,0,0|1,0,0]=3 17282 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,1,0,1,0,0|1,0,0]=3 17283 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,1,0,1,0,0|1,0,0]=3 17284 B10R1.126 C[C@@H](O)COCC[C@@H]1CO1 34a_100009820653_100009817552 [0,1,0,1,0,0|1,0,0]=3 17285 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,1,0,1,0,0|1,0,0]=3 17286 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,1,0,1,0,0|1,0,0]=3 17287 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100000732470_100009817552 [0,1,0,1,0,0|1,0,0]=3 17288 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100009817552_100000732470 [0,1,0,1,0,0|1,0,0]=3 17289 B10R1.126 FC(F)CCOCC1CC1 34a_100103093639_100000742324 [0,1,0,1,0,0|2,0,0]=4 17290 B10R1.126 FC(F)CCOCC1CO1 34a_100103093639_102125554688 [0,1,0,1,0,0|2,0,0]=4 17291 B10R1.126 FC(F)CNCCC1CC1 34a_100000764129_100011934356 [0,1,0,1,0,0|2,0,0]=4 17292 B10R1.126 FC(F)CNCCC1CC1 34a_100000765723_100000694398 [0,1,0,1,0,0|2,0,0]=4 17293 B10R1.126 FC(F)CNCCC1CO1 34a_100000765723_100000732470 [0,1,0,1,0,0|2,0,0]=4 17294 B10R1.126 FC(F)COCCC1CC1 34a_100000743014_100000694398 [0,1,0,1,0,0|2,0,0]=4 17295 B10R1.126 FC(F)COCCC1CC1 34a_100000754188_100011934356 [0,1,0,1,0,0|2,0,0]=4 17296 B10R1.126 FC(F)COCCC1CC1 7a_100000754188_100011934356 [0,1,0,1,0,0|2,0,0]=4 17297 B10R1.126 FC(F)COCCC1CO1 34a_100000743014_100000732470 [0,1,0,1,0,0|2,0,0]=4 17298 B10R1.126 FC(F)COCC[C@@H]1CO1 34a_100009820653_100011934356 [0,1,0,1,0,0|2,0,0]=4 17299 B10R1.126 FC(F)CSCCC1CC1 62a_100000764125_100011934356 [0,1,0,1,0,0|2,0,0]=4 17300 B10R1.126 FC(F)CSCCC1CC1 62a_100011934356_100000764125 [0,1,0,1,0,0|2,0,0]=4 17301 B10R1.126 FC(F)CSCCC1CO1 62a_100000732470_100011934356 [0,1,0,1,0,0|2,0,0]=4 17302 B10R1.126 FC(F)CSCCC1CO1 62a_100011934356_100000732470 [0,1,0,1,0,0|2,0,0]=4 17303 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,1,0,1,0,0|1,0,1]=4 17304 B10R1.127 C=C(C)CNC[C@@H]1CCO1 2230a_100020831831_100000748629 [0,1,0,1,0,0|1,0,1]=4 17305 B10R1.127 C=C(C)CNC[C@@H]1CCO1 34a_100020831831_100000748629 [0,1,0,1,0,0|1,0,1]=4 17306 B10R1.127 C=C(C)COCC1CCO1 34a_100000039022_100000748629 [0,1,0,1,0,0|1,0,1]=4 17307 B10R1.127 C=C(C)COCC1CCO1 34a_100000210245_100000103362 [0,1,0,1,0,0|1,0,1]=4 17308 B10R1.127 C=C(C)CSCC1CCO1 62a_100000103362_100000211660 [0,1,0,1,0,0|1,0,1]=4 17309 B10R1.127 C=C(C)CSCC1CCO1 62a_100000748629_100000103362 [0,1,0,1,0,0|1,0,1]=4 17310 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|1,0,1]=4 17311 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [0,1,0,1,0,0|2,0,0]=4 17312 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [0,1,0,1,0,0|2,0,0]=4 17313 B10R1.127 CC(Br)COCC1CCO1 34a_100012180447_100000103362 [0,1,0,1,0,0|1,0,0]=3 17314 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [0,1,0,1,0,0|2,0,0]=4 17315 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [0,1,0,1,0,0|2,0,0]=4 17316 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [0,1,0,1,0,0|2,0,0]=4 17317 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [0,1,0,1,0,0|2,0,0]=4 17318 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [0,1,0,1,0,0|2,0,0]=4 17319 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,1,0,1,0,0|2,0,0]=4 17320 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,1,0,1,0,0|2,0,0]=4 17321 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [0,1,0,1,0,0|2,0,0]=4 17322 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [0,1,0,1,0,0|2,0,0]=4 17323 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [0,1,0,1,0,0|2,0,0]=4 17324 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [0,1,0,1,0,0|2,0,0]=4 17325 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [0,1,0,1,0,0|2,0,0]=4 17326 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [0,1,0,1,0,0|2,0,0]=4 17327 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [0,1,0,1,0,0|2,0,0]=4 17328 B10R1.127 CC(C)CNCC1CCO1 2230a_100000210953_100000103362 [0,1,0,1,0,0|1,0,0]=3 17329 B10R1.127 CC(C)CNCC1CCO1 34a_100000210953_100000103362 [0,1,0,1,0,0|1,0,0]=3 17330 B10R1.127 CC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000210760 [0,1,0,1,0,0|1,0,0]=3 17331 B10R1.127 CC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000210432 [0,1,0,1,0,0|1,0,0]=3 17332 B10R1.127 CC(C)CNC[C@@H]1CCO1 34a_100020831831_100000210624 [0,1,0,1,0,0|1,0,0]=3 17333 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [0,1,0,1,0,0|2,0,0]=4 17334 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [0,1,0,1,0,0|2,0,0]=4 17335 B10R1.127 CC(C)COCC1CCO1 34a_100000039022_100000210624 [0,1,0,1,0,0|1,0,0]=3 17336 B10R1.127 CC(C)COCC1CCO1 34a_100000210257_100000103362 [0,1,0,1,0,0|1,0,0]=3 17337 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [0,1,0,1,0,0|2,0,0]=4 17338 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [0,1,0,1,0,0|2,0,0]=4 17339 B10R1.127 CC(C)CSCC1CCO1 62a_100000103362_100000210760 [0,1,0,1,0,0|1,0,0]=3 17340 B10R1.127 CC(C)CSCC1CCO1 62a_100000210624_100000103362 [0,1,0,1,0,0|1,0,0]=3 17341 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [0,1,0,1,0,0|2,0,0]=4 17342 B10R1.127 CC(F)COCC1CCO1 34a_100015925927_100000103362 [0,1,0,1,0,0|1,0,0]=3 17343 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,1,0,1,0,0|1,0,0]=3 17344 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,1,0,1,0,0|1,0,0]=3 17345 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,1,0,1,0,0|1,0,0]=3 17346 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,1,0,1,0,0|1,0,0]=3 17347 B10R1.127 CC(O)CCNC1COC1 2230a_100016991112_100012276601 [0,1,0,1,0,0|2,0,0]=4 17348 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,1,0,1,0,0|1,0,0]=3 17349 B10R1.127 CC(O)CCOC1CSC1 7a_100000072292_100012276601 [0,1,0,1,0,0|2,0,0]=4 17350 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,1,0,1,0,0|1,0,0]=3 17351 B10R1.127 CC(O)CCSC1COC1 62a_100012276601_100009818527 [0,1,0,1,0,0|2,0,0]=4 17352 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,1,0,1,0,0|1,0,0]=3 17353 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,1,0,1,0,0|1,0,0]=3 17354 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,1,0,1,0,0|1,0,0]=3 17355 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|1,0,0]=3 17356 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,1,0,1,0,0|1,0,0]=3 17357 B10R1.127 CC(O)CNCC1CCO1 2230a_100000210904_100000103362 [0,1,0,1,0,0|1,0,0]=3 17358 B10R1.127 CC(O)CNCC1CCO1 34a_100000210904_100000103362 [0,1,0,1,0,0|1,0,0]=3 17359 B10R1.127 CC(O)CNCC1COC1 2230a_100000210904_100010264016 [0,1,0,1,0,0|2,0,0]=4 17360 B10R1.127 CC(O)CNCC1COC1 2230a_100015281925_100011218427 [0,1,0,1,0,0|2,0,0]=4 17361 B10R1.127 CC(O)CNCC1COC1 34a_100000210904_100010264016 [0,1,0,1,0,0|2,0,0]=4 17362 B10R1.127 CC(O)CNCC1COC1 34a_100015281925_100011218427 [0,1,0,1,0,0|2,0,0]=4 17363 B10R1.127 CC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218427 [0,1,0,1,0,0|1,0,0]=3 17364 B10R1.127 CC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218427 [0,1,0,1,0,0|1,0,0]=3 17365 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,1,0,1,0,0|1,0,0]=3 17366 B10R1.127 CC(O)COCC1CCO1 34a_100000039022_100011218427 [0,1,0,1,0,0|1,0,0]=3 17367 B10R1.127 CC(O)COCC1CNC1 34a_100016987283_100011218427 [0,1,0,1,0,0|2,0,0]=4 17368 B10R1.127 CC(O)COCC1COC1 34a_100000060846_100011218427 [0,1,0,1,0,0|2,0,0]=4 17369 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,1,0,1,0,0|1,0,0]=3 17370 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,1,0,1,0,0|1,0,0]=3 17371 B10R1.127 CC(O)CSCC1CCO1 62a_100000103362_100011218427 [0,1,0,1,0,0|1,0,0]=3 17372 B10R1.127 CC(O)CSCC1CCO1 62a_100011218427_100000103362 [0,1,0,1,0,0|1,0,0]=3 17373 B10R1.127 CC(O)CSCC1COC1 62a_100010264016_100011218427 [0,1,0,1,0,0|2,0,0]=4 17374 B10R1.127 CC(O)CSCC1COC1 62a_100011218427_100010264016 [0,1,0,1,0,0|2,0,0]=4 17375 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [0,1,0,1,0,0|2,0,0]=4 17376 B10R1.127 C[C@@H](Cl)COCC1CCO1 34a_100016084084_100000103362 [0,1,0,1,0,0|1,0,0]=3 17377 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [0,1,0,1,0,0|2,0,0]=4 17378 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [0,1,0,1,0,0|2,0,0]=4 17379 B10R1.127 C[C@@H](N)COCC1CCO1 34a_100000737577_100000103362 [0,1,0,1,0,0|1,0,0]=3 17380 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,1,0,1,0,0|1,0,0]=3 17381 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,1,0,1,0,0|1,0,0]=3 17382 B10R1.127 C[C@@H](O)CNCC1COC1 2230a_100015281925_100009817552 [0,1,0,1,0,0|2,0,0]=4 17383 B10R1.127 C[C@@H](O)CNCC1COC1 34a_100015281925_100009817552 [0,1,0,1,0,0|2,0,0]=4 17384 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009817552 [0,1,0,1,0,0|1,0,0]=3 17385 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009817552 [0,1,0,1,0,0|1,0,0]=3 17386 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,1,0,1,0,0|1,0,0]=3 17387 B10R1.127 C[C@@H](O)COCC1CCO1 34a_100000039022_100009817552 [0,1,0,1,0,0|1,0,0]=3 17388 B10R1.127 C[C@@H](O)COCC1CNC1 34a_100016987283_100009817552 [0,1,0,1,0,0|2,0,0]=4 17389 B10R1.127 C[C@@H](O)COCC1COC1 34a_100000060846_100009817552 [0,1,0,1,0,0|2,0,0]=4 17390 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,1,0,1,0,0|1,0,0]=3 17391 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,1,0,1,0,0|1,0,0]=3 17392 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100000103362_100009817552 [0,1,0,1,0,0|1,0,0]=3 17393 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100009817552_100000103362 [0,1,0,1,0,0|1,0,0]=3 17394 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100009817552_100010264016 [0,1,0,1,0,0|2,0,0]=4 17395 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100010264016_100009817552 [0,1,0,1,0,0|2,0,0]=4 17396 B10R1.127 FC(F)CCOC1CCC1 34a_100103093639_100000749161 [0,1,0,1,0,0|2,0,0]=4 17397 B10R1.127 FC(F)CNCC1CCC1 2230a_100000738700_100011934356 [0,1,0,1,0,0|2,0,0]=4 17398 B10R1.127 FC(F)CNCC1CCC1 34a_100000738700_100011934356 [0,1,0,1,0,0|2,0,0]=4 17399 B10R1.127 FC(F)CNCC1CCC1 34a_100000765723_100000763275 [0,1,0,1,0,0|2,0,0]=4 17400 B10R1.127 FC(F)CNCC1CCO1 34a_100000765723_100000103362 [0,1,0,1,0,0|2,0,0]=4 17401 B10R1.127 FC(F)CNC[C@@H]1CCO1 2230a_100020831831_100011934356 [0,1,0,1,0,0|2,0,0]=4 17402 B10R1.127 FC(F)CNC[C@@H]1CCO1 34a_100020831831_100011934356 [0,1,0,1,0,0|2,0,0]=4 17403 B10R1.127 FC(F)COCC1CCC1 34a_100000743014_100000763275 [0,1,0,1,0,0|2,0,0]=4 17404 B10R1.127 FC(F)COCC1CCC1 34a_100000760304_100011934356 [0,1,0,1,0,0|2,0,0]=4 17405 B10R1.127 FC(F)COCC1CCO1 34a_100000039022_100011934356 [0,1,0,1,0,0|2,0,0]=4 17406 B10R1.127 FC(F)COCC1CCO1 34a_100000743014_100000103362 [0,1,0,1,0,0|2,0,0]=4 17407 B10R1.127 FC(F)CSCC1CCC1 62a_100000763275_100011934356 [0,1,0,1,0,0|2,0,0]=4 17408 B10R1.127 FC(F)CSCC1CCC1 62a_100011934356_100000763275 [0,1,0,1,0,0|2,0,0]=4 17409 B10R1.127 FC(F)CSCC1CCO1 62a_100000103362_100011934356 [0,1,0,1,0,0|2,0,0]=4 17410 B10R1.127 FC(F)CSCC1CCO1 62a_100011934356_100000103362 [0,1,0,1,0,0|2,0,0]=4 17411 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|1,0,1]=4 17412 B10R1.133 CC1(CCCC1OCF)C 34a_100000726220_100015361967 [0,1,0,1,0,0|2,0,0]=4 17413 B10R1.133 CC1(CCCC1OCF)C 7a_100000726220_100015361967 [0,1,0,1,0,0|2,0,0]=4 17414 B10R1.133 CC1(CCCN1CCF)C 2230a_100000761399_100011217306 [0,1,0,1,0,0|2,0,0]=4 17415 B10R1.133 CC1(CCCN1CCF)C 269982a_100000761399_100011217306 [0,1,0,1,0,0|2,0,0]=4 17416 B10R1.133 CC1(CCCN1CCF)C 34a_100000761399_100011217306 [0,1,0,1,0,0|2,0,0]=4 17417 B10R1.133 CC1(CCCN1CCO)C 2230a_100000761399_100000211926 [0,1,0,1,0,0|1,0,0]=3 17418 B10R1.133 CC1(CCCN1CCO)C 269982a_100000761399_100000211926 [0,1,0,1,0,0|1,0,0]=3 17419 B10R1.133 CC1(CCCN1CCO)C 34a_100000761399_100000211926 [0,1,0,1,0,0|1,0,0]=3 17420 B10R1.133 CC1(COCN1CCO)C 2230a_100000043020_100000211926 [0,1,0,1,0,0|2,0,0]=4 17421 B10R1.133 CC1(COCN1CCO)C 269982a_100000043020_100000211926 [0,1,0,1,0,0|2,0,0]=4 17422 B10R1.133 CC1(SCCN1CCO)C 2230a_100011217261_100000211926 [0,1,0,1,0,0|2,0,0]=4 17423 B10R1.133 CC1(SCCN1CCO)C 269982a_100011217261_100000211926 [0,1,0,1,0,0|2,0,0]=4 17424 B10R1.133 CC1(SCCN1CCO)C 34a_100011217261_100000211926 [0,1,0,1,0,0|2,0,0]=4 17425 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [0,1,0,1,0,0|2,0,0]=4 17426 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [0,1,0,1,0,0|2,0,0]=4 17427 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [0,1,0,1,0,0|2,0,0]=4 17428 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [0,1,0,1,0,0|2,0,0]=4 17429 B10R1.133 CCNC1CCCC1(F)F 2230a_100000767123_100000210202 [0,1,0,1,0,0|2,0,0]=4 17430 B10R1.133 CCNC1CCCC1(F)F 34a_100000767123_100000210202 [0,1,0,1,0,0|2,0,0]=4 17431 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,1,0,1,0,0|1,0,0]=3 17432 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,1,0,1,0,0|1,0,0]=3 17433 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,1,0,1,0,0|2,0,0]=4 17434 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,1,0,1,0,0|2,0,0]=4 17435 B10R1.133 CCOC1CCCC1(F)F 34a_100121572206_100119073726 [0,1,0,1,0,0|2,0,0]=4 17436 B10R1.133 CCSC1CCCC1(F)F 62a_100000210202_100119073726 [0,1,0,1,0,0|2,0,0]=4 17437 B10R1.133 CCSC1CCCC1(F)F 62a_100119073726_100000210202 [0,1,0,1,0,0|2,0,0]=4 17438 B10R1.133 C[C@]1(CCC[C@H]1NCF)O 34a_100015977457_100015361967 [0,1,0,1,0,0|2,0,0]=4 17439 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,1,0,1,0,0|1,0,0]=3 17440 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,1,0,1,0,0|1,0,0]=3 17441 B10R1.162 CCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210202 [0,1,0,1,0,0|2,0,0]=4 17442 B10R1.162 CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000204670 [0,1,0,1,0,0|2,0,0]=4 17443 B10R1.162 CN1CCOCC(C1)CO 2230a_100103147999_200000210301 [0,1,0,1,0,0|2,0,0]=4 17444 B10R1.162 CN1CCOCC(C1)CO 269982a_100103147999_200000210301 [0,1,0,1,0,0|2,0,0]=4 17445 B10R1.162 CN1CCOCC(C1)CO 34a_100103147999_200000210301 [0,1,0,1,0,0|2,0,0]=4 17446 B10R1.162 OC1CCCCN(C1)CF 269982a_100025706797_100015361967 [0,1,0,1,0,0|2,0,0]=4 17447 B10R1.162 [13CH3]N1CCOCC(C1)CO 2230a_100103147999_200025704644 [0,1,0,1,0,0|2,0,0]=4 17448 B10R1.162 [13CH3]N1CCOCC(C1)CO 269982a_100103147999_200025704644 [0,1,0,1,0,0|2,0,0]=4 17449 B10R1.162 [13CH3]N1CCOCC(C1)CO 34a_100103147999_200025704644 [0,1,0,1,0,0|2,0,0]=4 17450 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,1,0,1,0,0|1,0,0]=3 17451 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,1,0,1,0,0|1,0,0]=3 17452 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [0,1,0,1,0,0|1,0,0]=3 17453 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,1,0,1,0,0|1,0,0]=3 17454 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [0,1,0,1,0,0|1,0,0]=3 17455 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [0,1,0,1,0,0|1,0,0]=3 17456 B10R1.177 BrCCOCCOC1CC1 34a_100000692535_100000211595 [0,1,0,1,0,0|2,0,0]=4 17457 B10R1.177 C#CCCCCNC1CC1 34a_100000212008_100010269958 [0,1,0,1,0,0|1,0,1]=4 17458 B10R1.177 C#CCCCCNC1CC1 34a_100000706060_100000211595 [0,1,0,1,0,0|1,0,1]=4 17459 B10R1.177 C#CCCCCOC1CC1 34a_100000766709_100000211595 [0,1,0,1,0,0|1,0,1]=4 17460 B10R1.177 C#CCCCCSC1CC1 62a_100010269958_100000211595 [0,1,0,1,0,0|1,0,1]=4 17461 B10R1.177 C#CCCCNCC1CC1 2230a_100000735609_100000731252 [0,1,0,1,0,0|1,0,1]=4 17462 B10R1.177 C#CCCCNCC1CC1 34a_100000718082_100000742324 [0,1,0,1,0,0|1,0,1]=4 17463 B10R1.177 C#CCCCNCC1CC1 34a_100000735609_100000695029 [0,1,0,1,0,0|1,0,1]=4 17464 B10R1.177 C#CCCCNCC1CO1 34a_100000718082_102125554688 [0,1,0,1,0,0|0,0,2]=4 17465 B10R1.177 C#CCCCOCC1CC1 34a_100000211283_100000695029 [0,1,0,1,0,0|1,0,1]=4 17466 B10R1.177 C#CCCCOCC1CC1 34a_100000215630_100000742324 [0,1,0,1,0,0|1,0,1]=4 17467 B10R1.177 C#CCCCOCC1CC1 7a_100000215630_100000742324 [0,1,0,1,0,0|1,0,1]=4 17468 B10R1.177 C#CCCCOCC1CO1 34a_100000215630_102125554688 [0,1,0,1,0,0|0,0,2]=4 17469 B10R1.177 C#CCCCOCC1CO1 7a_100000215630_102125554688 [0,1,0,1,0,0|0,0,2]=4 17470 B10R1.177 C#CCCCOC[C@@H]1CO1 34a_100000757423_100000695029 [0,1,0,1,0,0|0,0,2]=4 17471 B10R1.177 C#CCCCOC[C@@H]1CO1 7a_100000215630_100000745022 [0,1,0,1,0,0|0,0,2]=4 17472 B10R1.177 C#CCCCSCC1CC1 62a_100000756562_100011215417 [0,1,0,1,0,0|1,0,1]=4 17473 B10R1.177 C#CCCCSCC1CC1 62a_100011215417_100000742324 [0,1,0,1,0,0|1,0,1]=4 17474 B10R1.177 C#CCCCSCC1CO1 62a_100011215417_102125554688 [0,1,0,1,0,0|0,0,2]=4 17475 B10R1.177 C#CCCCSCC1CO1 62a_102125554688_100011215417 [0,1,0,1,0,0|0,0,2]=4 17476 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100000745022_100011215417 [0,1,0,1,0,0|0,0,2]=4 17477 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100011215417_100000745022 [0,1,0,1,0,0|0,0,2]=4 17478 B10R1.177 C#CCCNCCC1CC1 34a_100000755551_100000694398 [0,1,0,1,0,0|1,0,1]=4 17479 B10R1.177 C#CCCNCCC1CC1 34a_100000764129_100000688953 [0,1,0,1,0,0|1,0,1]=4 17480 B10R1.177 C#CCCNCCC1CO1 34a_100000755551_100000732470 [0,1,0,1,0,0|0,0,2]=4 17481 B10R1.177 C#CCCOCCC1CC1 34a_100000754188_100000688953 [0,1,0,1,0,0|1,0,1]=4 17482 B10R1.177 C#CCCOCCC1CC1 34a_100011215631_100000694398 [0,1,0,1,0,0|1,0,1]=4 17483 B10R1.177 C#CCCOCCC1CC1 7a_100000754188_100000688953 [0,1,0,1,0,0|1,0,1]=4 17484 B10R1.177 C#CCCOCCC1CO1 34a_100011215631_100000732470 [0,1,0,1,0,0|0,0,2]=4 17485 B10R1.177 C#CCCOCC[C@@H]1CO1 34a_100009820653_100000688953 [0,1,0,1,0,0|0,0,2]=4 17486 B10R1.177 C#CCCSCCC1CC1 62a_100000688953_100000764125 [0,1,0,1,0,0|1,0,1]=4 17487 B10R1.177 C#CCCSCCC1CC1 62a_100000764125_100000688953 [0,1,0,1,0,0|1,0,1]=4 17488 B10R1.177 C#CCCSCCC1CO1 62a_100000688953_100000732470 [0,1,0,1,0,0|0,0,2]=4 17489 B10R1.177 C#CCCSCCC1CO1 62a_100000732470_100000688953 [0,1,0,1,0,0|0,0,2]=4 17490 B10R1.177 C#CCNCCCC1CO1 34a_100000212058_100000733510 [0,1,0,1,0,0|0,0,2]=4 17491 B10R1.177 C#CCOCCCC1CO1 34a_100000210247_100000733510 [0,1,0,1,0,0|0,0,2]=4 17492 B10R1.177 C#CCSCCCC1CO1 62a_100000038162_100000733510 [0,1,0,1,0,0|0,0,2]=4 17493 B10R1.177 C/C=C/CCOCC1CO1 34a_100016278192_102125554688 [0,1,0,1,0,0|0,0,2]=4 17494 B10R1.177 C/C=C/COCCC1CO1 34a_100016270725_100000732470 [0,1,0,1,0,0|0,0,2]=4 17495 B10R1.177 C/C=C/COCC[C@@H]1CO1 34a_100009820653_100102629194 [0,1,0,1,0,0|0,0,2]=4 17496 B10R1.177 C/C=C/CSCCC1CO1 62a_100000732470_100102629194 [0,1,0,1,0,0|0,0,2]=4 17497 B10R1.177 C/C=C/CSCCC1CO1 62a_100102629194_100000732470 [0,1,0,1,0,0|0,0,2]=4 17498 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,1,0,1,0,0|1,0,1]=4 17499 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,1,0,1,0,0|1,0,1]=4 17500 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,1,0,1,0,0|1,0,1]=4 17501 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,1,0,1,0,0|1,0,1]=4 17502 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,1,0,1,0,0|1,0,1]=4 17503 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,1,0,1,0,0|1,0,1]=4 17504 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,1,0,1,0,0|1,0,1]=4 17505 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,1,0,1,0,0|1,0,1]=4 17506 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,1,0,1,0,0|1,0,1]=4 17507 B10R1.177 C=CCCCNCC1CO1 2230a_100000700776_100011216344 [0,1,0,1,0,0|0,0,2]=4 17508 B10R1.177 C=CCCCNCC1CO1 34a_100000700776_102125554688 [0,1,0,1,0,0|0,0,2]=4 17509 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,1,0,1,0,0|1,0,1]=4 17510 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,1,0,1,0,0|1,0,1]=4 17511 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,1,0,1,0,0|1,0,1]=4 17512 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,1,0,1,0,0|0,0,2]=4 17513 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,1,0,1,0,0|0,0,2]=4 17514 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,1,0,1,0,0|0,0,2]=4 17515 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,1,0,1,0,0|0,0,2]=4 17516 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,1,0,1,0,0|1,0,1]=4 17517 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,1,0,1,0,0|1,0,1]=4 17518 B10R1.177 C=CCCCSCC1CO1 62a_100011713584_102125554688 [0,1,0,1,0,0|0,0,2]=4 17519 B10R1.177 C=CCCCSCC1CO1 62a_102125554688_100000757094 [0,1,0,1,0,0|0,0,2]=4 17520 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100000745022_100000757094 [0,1,0,1,0,0|0,0,2]=4 17521 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100011713584_100000745022 [0,1,0,1,0,0|0,0,2]=4 17522 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,1,0,1,0,0|1,0,1]=4 17523 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,1,0,1,0,0|1,0,1]=4 17524 B10R1.177 C=CCCNCCC1CO1 2230a_100015191253_100000732470 [0,1,0,1,0,0|0,0,2]=4 17525 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,1,0,1,0,0|1,0,1]=4 17526 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,1,0,1,0,0|1,0,1]=4 17527 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,1,0,1,0,0|1,0,1]=4 17528 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,1,0,1,0,0|0,0,2]=4 17529 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,1,0,1,0,0|0,0,2]=4 17530 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,1,0,1,0,0|1,0,1]=4 17531 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,1,0,1,0,0|1,0,1]=4 17532 B10R1.177 C=CCCSCCC1CO1 62a_100000732470_100000754431 [0,1,0,1,0,0|0,0,2]=4 17533 B10R1.177 C=CCCSCCC1CO1 62a_100000754431_100000732470 [0,1,0,1,0,0|0,0,2]=4 17534 B10R1.177 C=CCNCCCC1CO1 2230a_100020586998_100000733510 [0,1,0,1,0,0|0,0,2]=4 17535 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,1,0,1,0,0|0,0,2]=4 17536 B10R1.177 C=CCSCCCC1CO1 62a_100000210623_100000733510 [0,1,0,1,0,0|0,0,2]=4 17537 B10R1.177 C=CCSCCCC1CO1 62a_100000733510_100000210623 [0,1,0,1,0,0|0,0,2]=4 17538 B10R1.177 CC#CCCOCC1CO1 34a_100000750427_102125554688 [0,1,0,1,0,0|0,0,2]=4 17539 B10R1.177 CC#CCNCCC1CO1 2230a_100000685387_100000732470 [0,1,0,1,0,0|0,0,2]=4 17540 B10R1.177 CC#CCNCCC1CO1 34a_100000685387_100000732470 [0,1,0,1,0,0|0,0,2]=4 17541 B10R1.177 CC#CCOCCC1CO1 34a_100000761923_100000732470 [0,1,0,1,0,0|0,0,2]=4 17542 B10R1.177 CC#CCOCC[C@@H]1CO1 34a_100009820653_100000748600 [0,1,0,1,0,0|0,0,2]=4 17543 B10R1.177 CC#CCSCCC1CO1 62a_100000732470_100000748600 [0,1,0,1,0,0|0,0,2]=4 17544 B10R1.177 CC#CCSCCC1CO1 62a_100000748600_100000732470 [0,1,0,1,0,0|0,0,2]=4 17545 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,1,0,1,0,0|0,0,2]=4 17546 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,1,0,1,0,0|0,0,2]=4 17547 B10R1.177 CC/C=C\CSCC1CO1 62a_100103147603_102125554688 [0,1,0,1,0,0|0,0,2]=4 17548 B10R1.177 CC/C=C\CSCC1CO1 62a_102125554688_100103147603 [0,1,0,1,0,0|0,0,2]=4 17549 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100000745022_100103147603 [0,1,0,1,0,0|0,0,2]=4 17550 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100103147603_100000745022 [0,1,0,1,0,0|0,0,2]=4 17551 B10R1.177 CC=CCOCC[C@@H]1CO1 34a_100009820653_100000070051 [0,1,0,1,0,0|0,0,2]=4 17552 B10R1.177 CC=CCSCCC1CO1 62a_100000070051_100000732470 [0,1,0,1,0,0|0,0,2]=4 17553 B10R1.177 CC=CCSCCC1CO1 62a_100000732470_100000070051 [0,1,0,1,0,0|0,0,2]=4 17554 B10R1.177 CCC#CCOCC1CO1 34a_100000032950_102125554688 [0,1,0,1,0,0|0,0,2]=4 17555 B10R1.177 CCC#CCOC[C@@H]1CO1 34a_100000757423_100009813939 [0,1,0,1,0,0|0,0,2]=4 17556 B10R1.177 CCC#CCSCC1CO1 62a_100009813939_102125554688 [0,1,0,1,0,0|0,0,2]=4 17557 B10R1.177 CCC#CCSCC1CO1 62a_102125554688_100009813939 [0,1,0,1,0,0|0,0,2]=4 17558 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100000745022_100009813939 [0,1,0,1,0,0|0,0,2]=4 17559 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100009813939_100000745022 [0,1,0,1,0,0|0,0,2]=4 17560 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,1,0,1,0,0|1,0,0]=3 17561 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,1,0,1,0,0|1,0,0]=3 17562 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,1,0,1,0,0|1,0,0]=3 17563 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,1,0,1,0,0|1,0,0]=3 17564 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,1,0,1,0,0|1,0,0]=3 17565 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,1,0,1,0,0|1,0,0]=3 17566 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,1,0,1,0,0|1,0,0]=3 17567 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,1,0,1,0,0|0,0,0]=2 17568 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,1,0,1,0,0|1,0,0]=3 17569 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,1,0,1,0,0|1,0,0]=3 17570 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,1,0,1,0,0|1,0,0]=3 17571 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,1,0,1,0,0|0,0,0]=2 17572 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,1,0,1,0,0|0,0,0]=2 17573 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,1,0,1,0,0|0,1,0]=3 17574 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,1,0,1,0,0|0,0,0]=2 17575 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,1,0,1,0,0|0,0,0]=2 17576 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,1,0,1,0,0|1,0,0]=3 17577 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,1,0,1,0,0|1,0,0]=3 17578 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,1,0,1,0,0|0,0,0]=2 17579 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,1,0,1,0,0|0,0,0]=2 17580 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,1,0,1,0,0|0,1,0]=3 17581 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,1,0,1,0,0|0,1,0]=3 17582 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,1,0,1,0,0|0,0,0]=2 17583 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,1,0,1,0,0|0,0,0]=2 17584 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,1,0,1,0,0|1,0,0]=3 17585 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,1,0,1,0,0|1,0,0]=3 17586 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,1,0,1,0,0|1,0,0]=3 17587 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,1,0,1,0,0|0,0,0]=2 17588 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,1,0,1,0,0|0,0,0]=2 17589 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,1,0,1,0,0|1,0,0]=3 17590 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,1,0,1,0,0|1,0,0]=3 17591 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,1,0,1,0,0|1,0,0]=3 17592 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,1,0,1,0,0|1,0,0]=3 17593 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,1,0,1,0,0|0,0,0]=2 17594 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,1,0,1,0,0|0,0,0]=2 17595 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,1,0,1,0,0|0,0,0]=2 17596 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [0,1,0,1,0,0|2,0,0]=4 17597 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [0,1,0,1,0,0|2,0,0]=4 17598 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,1,0,1,0,0|1,0,0]=3 17599 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,1,0,1,0,0|1,0,0]=3 17600 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,1,0,1,0,0|0,0,0]=2 17601 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,1,0,1,0,0|0,0,0]=2 17602 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,1,0,1,0,0|0,0,0]=2 17603 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [0,1,0,1,0,0|2,0,0]=4 17604 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [0,1,0,1,0,0|2,0,0]=4 17605 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [0,1,0,1,0,0|2,0,0]=4 17606 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [0,1,0,1,0,0|2,0,0]=4 17607 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [0,1,0,1,0,0|2,0,0]=4 17608 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,1,0,1,0,0|0,0,0]=2 17609 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,1,0,1,0,0|0,0,0]=2 17610 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [0,1,0,1,0,0|2,0,0]=4 17611 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [0,1,0,1,0,0|2,0,0]=4 17612 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [0,1,0,1,0,0|2,0,0]=4 17613 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [0,1,0,1,0,0|2,0,0]=4 17614 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [0,1,0,1,0,0|2,0,0]=4 17615 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [0,1,0,1,0,0|2,0,0]=4 17616 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [0,1,0,1,0,0|2,0,0]=4 17617 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [0,1,0,1,0,0|2,0,0]=4 17618 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [0,1,0,1,0,0|2,0,0]=4 17619 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [0,1,0,1,0,0|2,0,0]=4 17620 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,1,0,1,0,0|1,0,0]=3 17621 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,1,0,1,0,0|1,0,0]=3 17622 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [0,1,0,1,0,0|2,0,0]=4 17623 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [0,1,0,1,0,0|2,0,0]=4 17624 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [0,1,0,1,0,0|2,0,0]=4 17625 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,1,0,1,0,0|1,0,0]=3 17626 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,1,0,1,0,0|1,0,0]=3 17627 B10R1.177 CCOCCOCC1CS1 7a_100000210136_100000031435 [0,1,0,1,0,0|1,1,0]=4 17628 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,1,0,1,0,0|1,0,0]=3 17629 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,1,0,1,0,0|1,0,0]=3 17630 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [0,1,0,1,0,0|2,0,0]=4 17631 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [0,1,0,1,0,0|2,0,0]=4 17632 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,1,0,1,0,0|1,0,0]=3 17633 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,1,0,1,0,0|1,0,0]=3 17634 B10R1.177 CCOCCSCC1CS1 62a_100000031435_100011215890 [0,1,0,1,0,0|1,1,0]=4 17635 B10R1.177 CCOCCSCC1CS1 62a_100000210147_100000031435 [0,1,0,1,0,0|1,1,0]=4 17636 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,1,0,1,0,0|1,0,0]=3 17637 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,1,0,1,0,0|1,0,0]=3 17638 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [0,1,0,1,0,0|2,0,0]=4 17639 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [0,1,0,1,0,0|2,0,0]=4 17640 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [0,1,0,1,0,0|1,0,0]=3 17641 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [0,1,0,1,0,0|1,0,0]=3 17642 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [0,1,0,1,0,0|2,0,0]=4 17643 B10R1.177 CCSCCNCC1CC1 2230a_100000106463_100000742324 [0,1,0,1,0,0|2,0,0]=4 17644 B10R1.177 CCSCCNCC1CC1 2230a_100000735609_100000757381 [0,1,0,1,0,0|2,0,0]=4 17645 B10R1.177 CCSCCNCC1CC1 269862a_100000106463_100000741477 [0,1,0,1,0,0|2,0,0]=4 17646 B10R1.177 CCSCCNCC1CC1 34a_100000735609_100000757381 [0,1,0,1,0,0|2,0,0]=4 17647 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,1,0,1,0,0|1,0,0]=3 17648 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [0,1,0,1,0,0|2,0,0]=4 17649 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [0,1,0,1,0,0|2,0,0]=4 17650 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [0,1,0,1,0,0|2,0,0]=4 17651 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,1,0,1,0,0|1,0,0]=3 17652 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,1,0,1,0,0|1,0,0]=3 17653 B10R1.177 CCSCCOCC1CS1 7a_100000212035_100000031435 [0,1,0,1,0,0|1,1,0]=4 17654 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,1,0,1,0,0|1,0,0]=3 17655 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,1,0,1,0,0|1,0,0]=3 17656 B10R1.177 CCSCCSCC1CC1 62a_100000756562_100000757381 [0,1,0,1,0,0|2,0,0]=4 17657 B10R1.177 CCSCCSCC1CC1 62a_100000757381_100000742324 [0,1,0,1,0,0|2,0,0]=4 17658 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,1,0,1,0,0|1,0,0]=3 17659 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,1,0,1,0,0|1,0,0]=3 17660 B10R1.177 CCSCCSCC1CS1 62a_100000031435_100000757381 [0,1,0,1,0,0|1,1,0]=4 17661 B10R1.177 CCSCCSCC1CS1 62a_100000757381_100000031435 [0,1,0,1,0,0|1,1,0]=4 17662 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,1,0,1,0,0|1,0,0]=3 17663 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,1,0,1,0,0|1,0,0]=3 17664 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,1,0,1,0,0|2,0,0]=4 17665 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [0,1,0,1,0,0|1,0,0]=3 17666 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,1,0,1,0,0|1,0,0]=3 17667 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,1,0,1,0,0|1,0,0]=3 17668 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,1,0,1,0,0|1,0,0]=3 17669 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,1,0,1,0,0|1,0,0]=3 17670 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,1,0,1,0,0|1,0,0]=3 17671 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,1,0,1,0,0|1,0,0]=3 17672 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,1,0,1,0,0|1,0,0]=3 17673 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [0,1,0,1,0,0|1,0,0]=3 17674 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,1,0,1,0,0|1,0,0]=3 17675 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,1,0,1,0,0|1,0,0]=3 17676 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [0,1,0,1,0,0|1,0,0]=3 17677 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [0,1,0,1,0,0|1,0,0]=3 17678 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,1,0,1,0,0|1,0,0]=3 17679 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,1,0,1,0,0|1,0,0]=3 17680 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [0,1,0,1,0,0|1,0,0]=3 17681 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [0,1,0,1,0,0|1,0,0]=3 17682 B10R1.177 COCCCSCC1CS1 62a_100000031435_100000709357 [0,1,0,1,0,0|1,1,0]=4 17683 B10R1.177 COCCCSCC1CS1 62a_100000709357_100000031435 [0,1,0,1,0,0|1,1,0]=4 17684 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [0,1,0,1,0,0|1,0,0]=3 17685 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [0,1,0,1,0,0|1,0,0]=3 17686 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,1,0,1,0,0|1,0,0]=3 17687 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,1,0,1,0,0|1,0,0]=3 17688 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [0,1,0,1,0,0|1,0,0]=3 17689 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,1,0,1,0,0|1,0,0]=3 17690 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,1,0,1,0,0|1,0,0]=3 17691 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,1,0,1,0,0|1,0,0]=3 17692 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [0,1,0,1,0,0|1,0,0]=3 17693 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [0,1,0,1,0,0|1,0,0]=3 17694 B10R1.177 COCCOCSC1CC1 62a_100000231047_100000211595 [0,1,0,1,0,0|2,0,0]=4 17695 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,1,0,1,0,0|1,0,0]=3 17696 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,1,0,1,0,0|1,0,0]=3 17697 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [0,1,0,1,0,0|1,0,0]=3 17698 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [0,1,0,1,0,0|1,0,0]=3 17699 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [0,1,0,1,0,0|1,0,0]=3 17700 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [0,1,0,1,0,0|1,0,0]=3 17701 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,1,0,1,0,0|1,1,0]=4 17702 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [0,1,0,1,0,0|1,1,0]=4 17703 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [0,1,0,1,0,0|1,1,0]=4 17704 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [0,1,0,1,0,0|1,0,0]=3 17705 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,1,0,1,0,0|1,1,0]=4 17706 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,1,0,1,0,0|1,1,0]=4 17707 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,1,0,1,0,0|1,0,0]=3 17708 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,1,0,1,0,0|1,0,0]=3 17709 B10R1.177 CSCCCOCC1CS1 7a_100000690336_100000031435 [0,1,0,1,0,0|1,1,0]=4 17710 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,1,0,1,0,0|1,0,0]=3 17711 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [0,1,0,1,0,0|1,1,0]=4 17712 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [0,1,0,1,0,0|1,1,0]=4 17713 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [0,1,0,1,0,0|1,0,0]=3 17714 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,1,0,1,0,0|1,1,0]=4 17715 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,1,0,1,0,0|1,1,0]=4 17716 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,1,0,1,0,0|1,1,0]=4 17717 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,1,0,1,0,0|1,1,0]=4 17718 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [0,1,0,1,0,0|1,0,0]=3 17719 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [0,1,0,1,0,0|1,0,0]=3 17720 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [0,1,0,1,0,0|1,0,0]=3 17721 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [0,1,0,1,0,0|1,1,0]=4 17722 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [0,1,0,1,0,0|1,1,0]=4 17723 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [0,1,0,1,0,0|1,0,0]=3 17724 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [0,1,0,1,0,0|1,0,0]=3 17725 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [0,1,0,1,0,0|1,0,0]=3 17726 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [0,1,0,1,0,0|1,0,0]=3 17727 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,1,0,1,0,0|1,0,0]=3 17728 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,1,0,1,0,0|1,0,0]=3 17729 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,1,0,1,0,0|1,0,0]=3 17730 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 17731 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 17732 B10R1.177 ClCCCCOCC1CS1 7a_100000210776_100000031435 [0,1,0,1,0,0|1,1,0]=4 17733 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [0,1,0,1,0,0|1,0,0]=3 17734 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,1,0,1,0,0|1,0,0]=3 17735 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [0,1,0,1,0,0|1,0,0]=3 17736 B10R1.177 ClCCOCCOC1CC1 34a_100011215305_100000211595 [0,1,0,1,0,0|2,0,0]=4 17737 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,1,0,1,0,0|1,0,0]=3 17738 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,1,0,1,0,0|1,0,0]=3 17739 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [0,1,0,1,0,0|1,0,0]=3 17740 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [0,1,0,1,0,0|1,0,0]=3 17741 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,1,0,1,0,0|1,0,0]=3 17742 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,1,0,1,0,0|1,0,0]=3 17743 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,1,0,1,0,0|1,0,0]=3 17744 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [0,1,0,1,0,0|1,0,0]=3 17745 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [0,1,0,1,0,0|1,0,0]=3 17746 B10R1.177 FCCCCOCC1CS1 7a_100011995726_100000031435 [0,1,0,1,0,0|1,1,0]=4 17747 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [0,1,0,1,0,0|1,0,0]=3 17748 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [0,1,0,1,0,0|1,0,0]=3 17749 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [0,1,0,1,0,0|1,0,0]=3 17750 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [0,1,0,1,0,0|1,0,0]=3 17751 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [0,1,0,1,0,0|1,0,0]=3 17752 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [0,1,0,1,0,0|1,0,0]=3 17753 B10R1.177 FCCCCSCC1CS1 62a_100000031435_100000729493 [0,1,0,1,0,0|1,1,0]=4 17754 B10R1.177 FCCCCSCC1CS1 62a_100000729493_100000031435 [0,1,0,1,0,0|1,1,0]=4 17755 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [0,1,0,1,0,0|1,0,0]=3 17756 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [0,1,0,1,0,0|1,0,0]=3 17757 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,1,0,1,0,0|1,0,0]=3 17758 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,1,0,1,0,0|1,0,0]=3 17759 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,1,0,1,0,0|1,0,0]=3 17760 B10R1.177 FCCCNCCC1CO1 2230a_100015189416_100000732470 [0,1,0,1,0,0|1,0,0]=3 17761 B10R1.177 FCCCNCCC1CO1 34a_100015189416_100000732470 [0,1,0,1,0,0|1,0,0]=3 17762 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,1,0,1,0,0|1,0,0]=3 17763 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,1,0,1,0,0|1,0,0]=3 17764 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,1,0,1,0,0|1,0,0]=3 17765 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [0,1,0,1,0,0|1,0,0]=3 17766 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [0,1,0,1,0,0|1,0,0]=3 17767 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,1,0,1,0,0|1,0,0]=3 17768 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,1,0,1,0,0|1,0,0]=3 17769 B10R1.177 FCCCSCCC1CO1 62a_100000732470_100011934791 [0,1,0,1,0,0|1,0,0]=3 17770 B10R1.177 FCCCSCCC1CO1 62a_100011934791_100000732470 [0,1,0,1,0,0|1,0,0]=3 17771 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [0,1,0,1,0,0|1,0,0]=3 17772 B10R1.177 FCCOCCNC1CC1 34a_100000738766_100011217306 [0,1,0,1,0,0|2,0,0]=4 17773 B10R1.177 FCCOCCOC1CC1 34a_200015357709_100000211595 [0,1,0,1,0,0|2,0,0]=4 17774 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [0,1,0,1,0,0|1,0,0]=3 17775 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [0,1,0,1,0,0|1,0,0]=3 17776 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,1,0,1,0,0|1,0,0]=3 17777 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,1,0,1,0,0|1,0,0]=3 17778 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [0,1,0,1,0,0|1,0,0]=3 17779 B10R1.177 ICCOCCOC1CC1 34a_100012149058_100000211595 [0,1,0,1,0,0|2,0,0]=4 17780 B10R1.177 N#CCCCCSC1CC1 62a_100011219923_100000211595 [0,1,0,1,0,0|1,0,1]=4 17781 B10R1.177 N#CCCCNCC1CC1 2230a_100000735609_100000687738 [0,1,0,1,0,0|1,0,1]=4 17782 B10R1.177 N#CCCCSCC1CC1 62a_100000687738_100000742324 [0,1,0,1,0,0|1,0,1]=4 17783 B10R1.177 N#CCCCSCC1CC1 62a_100000756562_100000687738 [0,1,0,1,0,0|1,0,1]=4 17784 B10R1.177 N#CCCCSCC1CO1 62a_100000687738_102125554688 [0,1,0,1,0,0|1,0,1]=4 17785 B10R1.177 N#CCCCSCC1CO1 62a_102125554688_100000687738 [0,1,0,1,0,0|1,0,1]=4 17786 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000687738_100000745022 [0,1,0,1,0,0|1,0,1]=4 17787 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000745022_100000687738 [0,1,0,1,0,0|1,0,1]=4 17788 B10R1.177 N#CCCOCCC1CC1 7a_100000754188_100000184422 [0,1,0,1,0,0|1,0,1]=4 17789 B10R1.177 N#CCCSCCC1CC1 62a_100000764125_100011215226 [0,1,0,1,0,0|1,0,1]=4 17790 B10R1.177 N#CCCSCCC1CC1 62a_100011215226_100000764125 [0,1,0,1,0,0|1,0,1]=4 17791 B10R1.177 N#CCCSCCC1CO1 62a_100000732470_100011215226 [0,1,0,1,0,0|1,0,1]=4 17792 B10R1.177 N#CCCSCCC1CO1 62a_100011215226_100000732470 [0,1,0,1,0,0|1,0,1]=4 17793 B10R1.177 N#CCSCCCC1CO1 62a_100000733510_100011215382 [0,1,0,1,0,0|1,0,1]=4 17794 B10R1.177 N#CCSCCCC1CO1 62a_100011215382_100000733510 [0,1,0,1,0,0|1,0,1]=4 17795 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,1,0,1,0,0|1,0,0]=3 17796 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|1,0,0]=3 17797 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,1,0,1,0,0|1,0,0]=3 17798 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,1,0,1,0,0|1,0,0]=3 17799 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [0,1,0,1,0,0|1,0,0]=3 17800 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [0,1,0,1,0,0|1,0,0]=3 17801 B10R1.177 NCCOCCOC1CC1 34a_100000211614_100000211595 [0,1,0,1,0,0|2,0,0]=4 17802 B10R1.177 NOCCOCCC1CC1 34a_100000700252_100000694398 [0,1,0,1,0,0|1,0,0]=3 17803 B10R1.177 NOCCOCCC1CO1 34a_100000700252_100000732470 [0,1,0,1,0,0|2,0,0]=4 17804 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,1,0,1,0,0|0,0,2]=4 17805 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,1,0,1,0,0|0,0,2]=4 17806 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,1,0,1,0,0|0,0,2]=4 17807 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,1,0,1,0,0|0,0,2]=4 17808 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,1,0,1,0,0|1,0,1]=4 17809 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,1,0,1,0,0|1,0,1]=4 17810 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,1,0,1,0,0|1,0,1]=4 17811 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,1,0,1,0,0|1,0,1]=4 17812 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,1,0,1,0,0|1,0,1]=4 17813 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,1,0,1,0,0|1,0,1]=4 17814 B10R1.177 OCC#CCNCC1CC1 2230a_100000735609_200000047223 [0,1,0,1,0,0|0,0,2]=4 17815 B10R1.177 OCC#CCNCC1CC1 34a_100000735609_200000047223 [0,1,0,1,0,0|0,0,2]=4 17816 B10R1.177 OCC#CCOCC1CC1 34a_100000211283_200000047223 [0,1,0,1,0,0|0,0,2]=4 17817 B10R1.177 OCC#CCSCC1CC1 62a_100000756562_200000047223 [0,1,0,1,0,0|0,0,2]=4 17818 B10R1.177 OCC#CCSCC1CC1 62a_200000047223_100000742324 [0,1,0,1,0,0|0,0,2]=4 17819 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,1,0,1,0,0|0,0,0]=2 17820 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,1,0,1,0,0|0,0,0]=2 17821 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,1,0,1,0,0|0,0,0]=2 17822 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,1,0,1,0,0|0,0,0]=2 17823 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,1,0,1,0,0|0,0,0]=2 17824 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,1,0,1,0,0|0,0,0]=2 17825 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,1,0,1,0,0|0,0,0]=2 17826 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|0,0,0]=2 17827 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,1,0,1,0,0|1,0,0]=3 17828 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,1,0,1,0,0|1,0,0]=3 17829 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,1,0,1,0,0|0,0,0]=2 17830 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,1,0,1,0,0|1,0,0]=3 17831 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,1,0,1,0,0|0,0,0]=2 17832 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,1,0,1,0,0|0,0,0]=2 17833 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 17834 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,1,0,1,0,0|1,0,0]=3 17835 B10R1.177 OCCCCSCC1CS1 62a_100000031435_100000210776 [0,1,0,1,0,0|1,0,0]=3 17836 B10R1.177 OCCCCSCC1CS1 62a_100000210776_100000031435 [0,1,0,1,0,0|1,0,0]=3 17837 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,1,0,1,0,0|1,0,0]=3 17838 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,1,0,1,0,0|1,0,0]=3 17839 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,1,0,1,0,0|0,0,0]=2 17840 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,1,0,1,0,0|0,0,0]=2 17841 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,1,0,1,0,0|0,0,0]=2 17842 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,1,0,1,0,0|1,0,0]=3 17843 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,1,0,1,0,0|0,0,0]=2 17844 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,1,0,1,0,0|0,0,0]=2 17845 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [0,1,0,1,0,0|1,0,0]=3 17846 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [0,1,0,1,0,0|1,0,0]=3 17847 B10R1.177 OCCNCC#CC1CC1 2230a_100016997473_100009895102 [0,1,0,1,0,0|0,0,2]=4 17848 B10R1.177 OCCNCC#CC1CC1 34a_100016990907_100009895102 [0,1,0,1,0,0|0,0,2]=4 17849 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,1,0,1,0,0|1,0,0]=3 17850 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,1,0,1,0,0|1,0,0]=3 17851 B10R1.177 OCCOCC#CC1CC1 34a_100000083941_100000211926 [0,1,0,1,0,0|0,0,2]=4 17852 B10R1.177 OCCOCC#CC1CC1 7a_100000083941_100000211926 [0,1,0,1,0,0|0,0,2]=4 17853 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [0,1,0,1,0,0|1,0,0]=3 17854 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [0,1,0,1,0,0|1,0,0]=3 17855 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [0,1,0,1,0,0|1,0,0]=3 17856 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [0,1,0,1,0,0|1,0,0]=3 17857 B10R1.177 OCCSCC#CC1CC1 62a_100000211926_100009895102 [0,1,0,1,0,0|0,0,2]=4 17858 B10R1.177 OCCSCC#CC1CC1 62a_100009895102_100000211926 [0,1,0,1,0,0|0,0,2]=4 17859 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,1,0,1,0,0|1,0,0]=3 17860 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,1,0,1,0,0|1,0,0]=3 17861 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|0,0,2]=4 17862 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|0,0,2]=4 17863 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 17864 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 17865 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 17866 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17867 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17868 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,1,0,1,0,0|2,0,0]=4 17869 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,1,0,1,0,0|2,0,0]=4 17870 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17871 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17872 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17873 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17874 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|0,0,2]=4 17875 B10R1.375 CC1(CC1COCCF)C 34a_100000728257_100011217306 [0,1,0,1,0,0|2,0,0]=4 17876 B10R1.375 CC1(CC1COCCF)C 7a_100000728257_100011217306 [0,1,0,1,0,0|2,0,0]=4 17877 B10R1.375 CC1(CC1COCCO)C 34a_100000728257_100000211926 [0,1,0,1,0,0|1,0,0]=3 17878 B10R1.375 CC1(CC1COCCO)C 7a_100000728257_100000211926 [0,1,0,1,0,0|1,0,0]=3 17879 B10R1.375 CC1(OC1COCCO)C 34a_200010283642_100000211926 [0,1,0,1,0,0|2,0,0]=4 17880 B10R1.375 CC1(OC1COCCO)C 7a_200010283642_100000211926 [0,1,0,1,0,0|2,0,0]=4 17881 B10R1.375 CCCCNC1CC1(F)F 2230a_100020610826_100000210211 [0,1,0,1,0,0|2,0,0]=4 17882 B10R1.375 CCCCNC1CC1(F)F 34a_100020610826_100000210210 [0,1,0,1,0,0|2,0,0]=4 17883 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [0,1,0,1,0,0|2,0,0]=4 17884 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [0,1,0,1,0,0|2,0,0]=4 17885 B10R1.375 CCCOCC1CC1(F)F 34a_100000056500_100000210303 [0,1,0,1,0,0|2,0,0]=4 17886 B10R1.375 CCCOCC1CC1(F)F 34a_100000210258_100009817841 [0,1,0,1,0,0|2,0,0]=4 17887 B10R1.375 CCCOCC1CC1(F)F 7a_100000056500_100000210303 [0,1,0,1,0,0|2,0,0]=4 17888 B10R1.375 CCCSCC1CC1(F)F 62a_100000210303_100009817841 [0,1,0,1,0,0|2,0,0]=4 17889 B10R1.375 CCCSCC1CC1(F)F 62a_100009817841_100000210303 [0,1,0,1,0,0|2,0,0]=4 17890 B10R1.375 CCOCCC1CC1(F)F 34a_100009864177_100000210202 [0,1,0,1,0,0|2,0,0]=4 17891 B10R1.375 CCOCCC1CC1(F)F 7a_100009864177_100000210202 [0,1,0,1,0,0|2,0,0]=4 17892 B10R1.375 OCCCNC1CC1(F)F 2230a_100020610826_100000230001 [0,1,0,1,0,0|2,0,0]=4 17893 B10R1.375 OCCCNC1CC1(F)F 34a_100020610826_100000230001 [0,1,0,1,0,0|2,0,0]=4 17894 B10R1.375 OCCNCC1CC1(F)F 2230a_100016997473_100009817841 [0,1,0,1,0,0|2,0,0]=4 17895 B10R1.375 OCCNCC1CC1(F)F 34a_100016990907_100009817841 [0,1,0,1,0,0|2,0,0]=4 17896 B10R1.375 OCCOCC1CC1(F)F 34a_100000056500_100000211926 [0,1,0,1,0,0|2,0,0]=4 17897 B10R1.375 OCCOCC1CC1(F)F 7a_100000056500_100000211926 [0,1,0,1,0,0|2,0,0]=4 17898 B10R1.375 OCCSCC1CC1(F)F 62a_100000211926_100009817841 [0,1,0,1,0,0|2,0,0]=4 17899 B10R1.375 OCCSCC1CC1(F)F 62a_100009817841_100000211926 [0,1,0,1,0,0|2,0,0]=4 17900 B10R1.11 CC(CCO)N1CCCC1 2230a_100000188435_100009893172 [0,1,0,1,0,0|1,0,0]=3 17901 B10R1.11 CC(CCO)N1CCCC1 269982a_100000188435_100009893172 [0,1,0,1,0,0|1,0,0]=3 17902 B10R1.11 CC(CCO)N1CCSC1 2230a_100011215254_100009893172 [0,1,0,1,0,0|2,0,0]=4 17903 B10R1.11 CC(CCO)N1CCSC1 269982a_100011215254_100009893172 [0,1,0,1,0,0|2,0,0]=4 17904 B10R1.11 CC(NCF)C1CCCC1 34a_100015185923_100015361967 [0,1,0,1,0,0|2,0,0]=4 17905 B10R1.11 CC(NCF)C1CCCO1 34a_100025754208_100015361967 [0,1,0,1,0,0|2,0,0]=4 17906 B10R1.11 CC(OCF)C1CCCC1 34a_100011216366_100015361967 [0,1,0,1,0,0|2,0,0]=4 17907 B10R1.11 CC(OCF)C1CCCC1 7a_100011216366_100015361967 [0,1,0,1,0,0|2,0,0]=4 17908 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|1,0,1]=4 17909 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|1,0,1]=4 17910 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,1,0,0|0,1,1]=4 17911 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,1,0,0|0,0,1]=3 17912 B10R1.11 CCCC(C)N1CCCC1 2230a_100000188435_100000766640 [0,1,0,1,0,0|2,0,0]=4 17913 B10R1.11 CCCC(C)N1CCCC1 269982a_100000188435_100000766640 [0,1,0,1,0,0|2,0,0]=4 17914 B10R1.11 CCCC(C)N1CCCC1 270004a_100000188435_100000211909 [0,1,0,1,0,0|2,0,0]=4 17915 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 17916 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 17917 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [0,1,0,1,0,0|2,0,0]=4 17918 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 17919 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 17920 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [0,1,0,1,0,0|2,0,0]=4 17921 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [0,1,0,1,0,0|2,0,0]=4 17922 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 17923 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 17924 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 17925 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 17926 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 17927 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,1,0,0|1,0,1]=4 17928 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,1,0,0|1,0,1]=4 17929 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,1,0,0|1,0,1]=4 17930 B10R1.11 CCNC(C)C1CCCC1 2230a_100015185923_100000210202 [0,1,0,1,0,0|2,0,0]=4 17931 B10R1.11 CCNC(C)C1CCCC1 269862a_100015525214_100000749594 [0,1,0,1,0,0|2,0,0]=4 17932 B10R1.11 CCNC(C)C1CCCC1 270004a_100015525214_100000749594 [0,1,0,1,0,0|2,0,0]=4 17933 B10R1.11 CCNC(C)C1CCCC1 34a_100015185923_100000210202 [0,1,0,1,0,0|2,0,0]=4 17934 B10R1.11 CCNC(C)C1CCCO1 2230a_100025754208_100000210202 [0,1,0,1,0,0|1,0,0]=3 17935 B10R1.11 CCNC(C)C1CCCO1 34a_100025754208_100000210202 [0,1,0,1,0,0|1,0,0]=3 17936 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,1,0,1,0,0|2,0,0]=4 17937 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,1,0,1,0,0|2,0,0]=4 17938 B10R1.11 CN(CCF)C1CCCC1 2230a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 17939 B10R1.11 CN(CCF)C1CCCC1 269982a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 17940 B10R1.11 CN(CCF)C1CCCC1 34a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 17941 B10R1.11 CN(CCO)C1CCCC1 2230a_100000207505_100000211926 [0,1,0,1,0,0|1,0,0]=3 17942 B10R1.11 CN(CCO)C1CCCC1 2230a_100000210263_100000179811 [0,1,0,1,0,0|1,0,0]=3 17943 B10R1.11 CN(CCO)C1CCCC1 269982a_100000207505_100000211926 [0,1,0,1,0,0|1,0,0]=3 17944 B10R1.11 CN(CCO)C1CCCC1 269982a_100000210263_100000179811 [0,1,0,1,0,0|1,0,0]=3 17945 B10R1.11 CN(CCO)C1CCCC1 269982a_200000200444_200000210301 [0,1,0,1,0,0|1,0,0]=3 17946 B10R1.11 CN(CCO)C1CCCC1 270004a_100000210263_100000210133 [0,1,0,1,0,0|1,0,0]=3 17947 B10R1.11 CN(CCO)C1CCCC1 34a_100000207505_100000211926 [0,1,0,1,0,0|1,0,0]=3 17948 B10R1.11 CN(CCO)C1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|1,0,0]=3 17949 B10R1.11 CN(CCO)C1CCOC1 2230a_100000210263_100000731011 [0,1,0,1,0,0|2,0,0]=4 17950 B10R1.11 CN(CCO)C1CCOC1 2230a_100016988252_100000211926 [0,1,0,1,0,0|2,0,0]=4 17951 B10R1.11 CN(CCO)C1CCOC1 269982a_100000210263_100000731011 [0,1,0,1,0,0|2,0,0]=4 17952 B10R1.11 CN(CCO)C1CCOC1 269982a_100016988252_100000211926 [0,1,0,1,0,0|2,0,0]=4 17953 B10R1.11 CN(CCO)C1CCOC1 270004a_100000210263_100000752484 [0,1,0,1,0,0|2,0,0]=4 17954 B10R1.11 CN(CCO)C1CCOC1 34a_100016988252_100000211926 [0,1,0,1,0,0|2,0,0]=4 17955 B10R1.11 CN(CCO)C1CCSC1 270004a_100000210263_100000212027 [0,1,0,1,0,0|2,0,0]=4 17956 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|1,0,1]=4 17957 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,1,0,1,0,0|1,0,1]=4 17958 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|0,0,1]=3 17959 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|0,0,1]=3 17960 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,1,0,0|1,0,1]=4 17961 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,1,0,0|1,0,1]=4 17962 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,1,0,0|1,0,1]=4 17963 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,1,0,1,0,0|1,0,1]=4 17964 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,1,0,0|1,0,1]=4 17965 B10R1.11 [13CH3]N(CCO)C1CCCC1 269982a_200000200444_200025704644 [0,1,0,1,0,0|1,0,0]=3 17966 B10R1.11 [13CH3]N(CCO)C1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|1,0,0]=3 17967 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|0,0,2]=4 17968 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,0,2]=4 17969 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,0,2]=4 17970 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,0,2]=4 17971 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,0,2]=4 17972 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [0,1,0,1,0,0|1,0,0]=3 17973 B10R1.21 BrCCCOC1CCOC1 34a_100011217188_100000690089 [0,1,0,1,0,0|2,0,0]=4 17974 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,1,0,1,0,0|1,0,0]=3 17975 B10R1.21 BrCCOCC1CCOC1 34a_100000211926_100011261433 [0,1,0,1,0,0|2,0,0]=4 17976 B10R1.21 BrCCOCC1OCCO1 34a_100000211926_100000755774 [0,1,0,1,0,0|2,0,0]=4 17977 B10R1.21 C#CCCCN1CCCC1 2230a_100000188435_100000731252 [0,1,0,1,0,0|1,0,1]=4 17978 B10R1.21 C#CCCCN1CCCC1 269982a_100000188435_100011215417 [0,1,0,1,0,0|1,0,1]=4 17979 B10R1.21 C#CCCNC1CCCC1 2230a_100000211070_100000688953 [0,1,0,1,0,0|1,0,1]=4 17980 B10R1.21 C#CCCNC1CCCC1 34a_100000211070_100000688953 [0,1,0,1,0,0|1,0,1]=4 17981 B10R1.21 C#CCCNC1CCCC1 34a_100000755551_100000179811 [0,1,0,1,0,0|1,0,1]=4 17982 B10R1.21 C#CCCOC1CCCC1 34a_100000210269_100000688953 [0,1,0,1,0,0|1,0,1]=4 17983 B10R1.21 C#CCCOC1CCCC1 34a_100011215631_100000179811 [0,1,0,1,0,0|1,0,1]=4 17984 B10R1.21 C#CCCOC1CCCC1 7a_100000210269_100000688953 [0,1,0,1,0,0|1,0,1]=4 17985 B10R1.21 C#CCCOC1CCCO1 34a_100000085407_100000688953 [0,1,0,1,0,0|0,0,2]=4 17986 B10R1.21 C#CCCSC1CCCC1 62a_100000688953_100000179811 [0,1,0,1,0,0|1,0,1]=4 17987 B10R1.21 C#CCCSC1CCCC1 62a_100011217020_100000688953 [0,1,0,1,0,0|1,0,1]=4 17988 B10R1.21 C#CCNCC1CCCC1 2230a_100000737975_100000038162 [0,1,0,1,0,0|1,0,1]=4 17989 B10R1.21 C#CCNCC1CCCC1 34a_100000212058_100000740388 [0,1,0,1,0,0|1,0,1]=4 17990 B10R1.21 C#CCNCC1CCCC1 34a_100000737975_100000184674 [0,1,0,1,0,0|1,0,1]=4 17991 B10R1.21 C#CCNC[C@@H]1CCCO1 2230a_100020590478_100000038162 [0,1,0,1,0,0|0,0,2]=4 17992 B10R1.21 C#CCNC[C@@H]1CCCO1 34a_100020590478_100000184674 [0,1,0,1,0,0|0,0,2]=4 17993 B10R1.21 C#CCOCC1CCCC1 34a_100000210247_100000740388 [0,1,0,1,0,0|1,0,1]=4 17994 B10R1.21 C#CCOCC1CCCC1 34a_100000742336_100000184674 [0,1,0,1,0,0|1,0,1]=4 17995 B10R1.21 C#CCOCC1CCCC1 7a_100000742336_100000038162 [0,1,0,1,0,0|1,0,1]=4 17996 B10R1.21 C#CCOCC1CCCO1 34a_100000210270_100000184674 [0,1,0,1,0,0|0,0,2]=4 17997 B10R1.21 C#CCOCC1CCCO1 7a_100000210270_100000038162 [0,1,0,1,0,0|0,0,2]=4 17998 B10R1.21 C#CCSCC1CCCC1 62a_100000038162_100000740388 [0,1,0,1,0,0|1,0,1]=4 17999 B10R1.21 C#CCSCC1CCCO1 62a_100000038162_100000203698 [0,1,0,1,0,0|0,0,2]=4 18000 B10R1.21 C/C=C/COC1CCCO1 34a_100000085407_100102629194 [0,1,0,1,0,0|0,0,2]=4 18001 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,1,0,1,0,0|1,0,1]=4 18002 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,1,0,1,0,0|1,0,1]=4 18003 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [0,1,0,1,0,0|1,0,1]=4 18004 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [0,1,0,1,0,0|1,0,1]=4 18005 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [0,1,0,1,0,0|1,0,1]=4 18006 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [0,1,0,1,0,0|1,0,1]=4 18007 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,1,0,1,0,0|1,0,1]=4 18008 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,1,0,1,0,0|1,0,1]=4 18009 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,1,0,1,0,0|1,0,1]=4 18010 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,1,0,1,0,0|0,0,2]=4 18011 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [0,1,0,1,0,0|1,0,1]=4 18012 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [0,1,0,1,0,0|1,0,1]=4 18013 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [0,1,0,1,0,0|1,0,1]=4 18014 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [0,1,0,1,0,0|1,0,1]=4 18015 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [0,1,0,1,0,0|1,0,1]=4 18016 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [0,1,0,1,0,0|0,0,2]=4 18017 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [0,1,0,1,0,0|0,0,2]=4 18018 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [0,1,0,1,0,0|0,0,2]=4 18019 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [0,1,0,1,0,0|1,0,1]=4 18020 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [0,1,0,1,0,0|1,0,1]=4 18021 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [0,1,0,1,0,0|1,0,1]=4 18022 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,1,0,1,0,0|0,0,2]=4 18023 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,1,0,1,0,0|0,0,2]=4 18024 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [0,1,0,1,0,0|1,0,1]=4 18025 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [0,1,0,1,0,0|1,0,1]=4 18026 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [0,1,0,1,0,0|0,0,2]=4 18027 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [0,1,0,1,0,0|0,0,2]=4 18028 B10R1.21 CC#CCOC1CCCO1 34a_100000085407_100000748600 [0,1,0,1,0,0|0,0,2]=4 18029 B10R1.21 CC=CCOC1CCCO1 34a_100000085407_100000070051 [0,1,0,1,0,0|0,0,2]=4 18030 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,1,0,1,0,0|1,0,0]=3 18031 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,1,0,1,0,0|1,0,0]=3 18032 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [0,1,0,1,0,0|1,1,0]=4 18033 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [0,1,0,1,0,0|1,1,0]=4 18034 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [0,1,0,1,0,0|1,0,0]=3 18035 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [0,1,0,1,0,0|1,0,0]=3 18036 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [0,1,0,1,0,0|1,0,0]=3 18037 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [0,1,0,1,0,0|1,0,0]=3 18038 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [0,1,0,1,0,0|1,0,0]=3 18039 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,1,0,1,0,0|1,0,0]=3 18040 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,1,0,1,0,0|1,0,0]=3 18041 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,1,0,1,0,0|1,0,0]=3 18042 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [0,1,0,1,0,0|1,1,0]=4 18043 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,1,0,1,0,0|1,0,0]=3 18044 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,1,0,1,0,0|1,0,0]=3 18045 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,1,0,1,0,0|1,0,0]=3 18046 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,1,0,1,0,0|1,0,0]=3 18047 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,1,0,1,0,0|1,0,0]=3 18048 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,1,0,1,0,0|1,0,0]=3 18049 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,1,0,1,0,0|1,0,0]=3 18050 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,1,0,1,0,0|0,0,0]=2 18051 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,1,0,1,0,0|1,0,0]=3 18052 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,1,0,1,0,0|1,0,0]=3 18053 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [0,1,0,1,0,0|1,1,0]=4 18054 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,1,0,1,0,0|1,0,0]=3 18055 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [0,1,0,1,0,0|1,0,0]=3 18056 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [0,1,0,1,0,0|1,0,0]=3 18057 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,1,0,1,0,0|1,0,0]=3 18058 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,1,0,1,0,0|1,0,0]=3 18059 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,1,0,1,0,0|1,0,0]=3 18060 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,1,0,1,0,0|1,0,0]=3 18061 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,1,0,1,0,0|1,0,0]=3 18062 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,1,0,1,0,0|1,0,0]=3 18063 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,1,0,1,0,0|1,0,0]=3 18064 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,1,0,1,0,0|1,0,0]=3 18065 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,1,0,1,0,0|0,0,0]=2 18066 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,1,0,1,0,0|0,0,0]=2 18067 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,1,0,1,0,0|1,0,0]=3 18068 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,1,0,1,0,0|1,0,0]=3 18069 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,1,0,1,0,0|1,0,0]=3 18070 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,1,0,1,0,0|0,0,0]=2 18071 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,1,0,1,0,0|0,0,0]=2 18072 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [0,1,0,1,0,0|2,0,0]=4 18073 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,1,0,1,0,0|1,0,0]=3 18074 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,1,0,1,0,0|1,0,0]=3 18075 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [0,1,0,1,0,0|1,0,0]=3 18076 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,1,0,1,0,0|1,0,0]=3 18077 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,1,0,1,0,0|1,0,0]=3 18078 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,1,0,1,0,0|1,0,0]=3 18079 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,1,0,1,0,0|1,0,0]=3 18080 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,1,0,1,0,0|1,0,0]=3 18081 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,1,0,1,0,0|0,0,0]=2 18082 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,1,0,1,0,0|0,0,0]=2 18083 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,1,0,1,0,0|1,0,0]=3 18084 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,1,0,1,0,0|1,0,0]=3 18085 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,1,0,1,0,0|1,0,0]=3 18086 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,1,0,1,0,0|1,0,0]=3 18087 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,1,0,1,0,0|1,0,0]=3 18088 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,1,0,1,0,0|1,0,0]=3 18089 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,1,0,1,0,0|1,0,0]=3 18090 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,1,0,1,0,0|1,0,0]=3 18091 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,1,0,1,0,0|1,0,0]=3 18092 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,1,0,1,0,0|1,0,0]=3 18093 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,1,0,1,0,0|1,0,0]=3 18094 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,1,0,1,0,0|1,0,0]=3 18095 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,1,0,1,0,0|1,0,0]=3 18096 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 18097 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,1,0,1,0,0|1,0,0]=3 18098 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,1,0,1,0,0|1,0,0]=3 18099 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [0,1,0,1,0,0|2,0,0]=4 18100 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [0,1,0,1,0,0|2,0,0]=4 18101 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [0,1,0,1,0,0|2,0,0]=4 18102 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [0,1,0,1,0,0|2,0,0]=4 18103 B10R1.21 CCOCSC1CCOC1 62a_100000739092_100000690089 [0,1,0,1,0,0|2,0,0]=4 18104 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,1,0,1,0,0|1,0,0]=3 18105 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,1,0,1,0,0|1,0,0]=3 18106 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,1,0,1,0,0|1,0,0]=3 18107 B10R1.21 CCSCCN1CCCC1 2230a_100000188435_100000757381 [0,1,0,1,0,0|2,0,0]=4 18108 B10R1.21 CCSCCN1CCCC1 269982a_100000188435_100000757381 [0,1,0,1,0,0|2,0,0]=4 18109 B10R1.21 CCSCCN1CCCC1 62a_100000210202_100000004467 [0,1,0,1,0,0|2,0,0]=4 18110 B10R1.21 CCSCCN1CCCC1 62a_100000700749_100000210202 [0,1,0,1,0,0|2,0,0]=4 18111 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [0,1,0,1,0,0|1,0,0]=3 18112 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [0,1,0,1,0,0|1,0,0]=3 18113 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [0,1,0,1,0,0|1,0,0]=3 18114 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [0,1,0,1,0,0|1,0,0]=3 18115 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [0,1,0,1,0,0|1,0,0]=3 18116 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [0,1,0,1,0,0|1,0,0]=3 18117 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [0,1,0,1,0,0|1,0,0]=3 18118 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [0,1,0,1,0,0|1,0,0]=3 18119 B10R1.21 CNCCCN1CCCC1 2230a_106832991635_100011445909 [0,1,0,1,0,0|2,0,0]=4 18120 B10R1.21 CNCCCN1CCCC1 34a_100102657272_100016991639 [0,1,0,1,0,0|2,0,0]=4 18121 B10R1.21 CNCCCN1CCCC1 7a_106832991635_100011445909 [0,1,0,1,0,0|2,0,0]=4 18122 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [0,1,0,1,0,0|2,0,0]=4 18123 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,1,0,1,0,0|0,0,0]=2 18124 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,1,0,1,0,0|0,0,0]=2 18125 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,1,0,1,0,0|0,0,0]=2 18126 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [0,1,0,1,0,0|1,0,0]=3 18127 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [0,1,0,1,0,0|1,0,0]=3 18128 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [0,1,0,1,0,0|1,0,0]=3 18129 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [0,1,0,1,0,0|1,0,0]=3 18130 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [0,1,0,1,0,0|1,0,0]=3 18131 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [0,1,0,1,0,0|1,0,0]=3 18132 B10R1.21 COCCCN1CCSC1 2230a_100011215254_100000740836 [0,1,0,1,0,0|2,0,0]=4 18133 B10R1.21 COCCCN1CCSC1 269982a_100011215254_100000740836 [0,1,0,1,0,0|2,0,0]=4 18134 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [0,1,0,1,0,0|1,0,0]=3 18135 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [0,1,0,1,0,0|1,0,0]=3 18136 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [0,1,0,1,0,0|1,0,0]=3 18137 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [0,1,0,1,0,0|1,0,0]=3 18138 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|1,0,0]=3 18139 B10R1.21 COCCNC1CCOC1 2230a_100000209980_100000731011 [0,1,0,1,0,0|2,0,0]=4 18140 B10R1.21 COCCNC1CCOC1 270004a_100000209980_100000752484 [0,1,0,1,0,0|2,0,0]=4 18141 B10R1.21 COCCNC1CCSC1 270004a_100000209980_100000212027 [0,1,0,1,0,0|2,0,0]=4 18142 B10R1.21 COCCN[C@@H]1CCOC1 2230a_200015188469_100011201679 [0,1,0,1,0,0|2,0,0]=4 18143 B10R1.21 COCCN[C@H]1CCOC1 2230a_100015188467_100011201679 [0,1,0,1,0,0|2,0,0]=4 18144 B10R1.21 COCCN[C@H]1CCOC1 34a_100015188467_100011201679 [0,1,0,1,0,0|2,0,0]=4 18145 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,1,0,1,0,0|1,0,0]=3 18146 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,1,0,1,0,0|1,0,0]=3 18147 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,1,0,1,0,0|1,0,0]=3 18148 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,1,0,1,0,0|1,0,0]=3 18149 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,1,0,1,0,0|1,0,0]=3 18150 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [0,1,0,1,0,0|1,0,0]=3 18151 B10R1.21 COCCOC1CCOC1 34a_100000210237_100000690089 [0,1,0,1,0,0|2,0,0]=4 18152 B10R1.21 COCCOC1CCSC1 7a_100011232664_100000233755 [0,1,0,1,0,0|2,0,0]=4 18153 B10R1.21 COCCO[C@H]1CCOC1 34a_100000717292_100011201679 [0,1,0,1,0,0|2,0,0]=4 18154 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [0,1,0,1,0,0|1,0,0]=3 18155 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [0,1,0,1,0,0|1,0,0]=3 18156 B10R1.21 COCCSC1CCOC1 62a_100000233755_100000690089 [0,1,0,1,0,0|2,0,0]=4 18157 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [0,1,0,1,0,0|1,0,0]=3 18158 B10R1.21 COCNCC1CCOC1 2230a_100000737293_100000766300 [0,1,0,1,0,0|2,0,0]=4 18159 B10R1.21 COCNCC1OCCO1 2230a_100000036311_100000766300 [0,1,0,1,0,0|2,0,0]=4 18160 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [0,1,0,1,0,0|1,0,0]=3 18161 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [0,1,0,1,0,0|1,0,0]=3 18162 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [0,1,0,1,0,0|1,0,0]=3 18163 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [0,1,0,1,0,0|1,0,0]=3 18164 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [0,1,0,1,0,0|1,0,0]=3 18165 B10R1.21 COCSCC1CCOC1 62a_100000702531_100000766300 [0,1,0,1,0,0|2,0,0]=4 18166 B10R1.21 COCSCC1CCOC1 62a_100000766300_100000702531 [0,1,0,1,0,0|2,0,0]=4 18167 B10R1.21 COCSCC1OCCO1 62a_100000755774_100000766300 [0,1,0,1,0,0|2,0,0]=4 18168 B10R1.21 COCSCC1OCCO1 62a_100000766300_100000755774 [0,1,0,1,0,0|2,0,0]=4 18169 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [0,1,0,1,0,0|0,1,0]=3 18170 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [0,1,0,1,0,0|0,1,0]=3 18171 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,1,0,1,0,0|1,0,0]=3 18172 B10R1.21 CSCCCN1CCCC1 62a_100016991639_200000210301 [0,1,0,1,0,0|1,1,0]=4 18173 B10R1.21 CSCCCN1CCCC1 62a_200000210301_100011445909 [0,1,0,1,0,0|1,1,0]=4 18174 B10R1.21 CSCCNC1CCCC1 2230a_100000211070_100000751147 [0,1,0,1,0,0|1,1,0]=4 18175 B10R1.21 CSCCNC1CCCC1 2230a_100020590264_100000179811 [0,1,0,1,0,0|1,1,0]=4 18176 B10R1.21 CSCCNC1CCCC1 270004a_100020590264_100000210133 [0,1,0,1,0,0|1,1,0]=4 18177 B10R1.21 CSCCNC1CCCC1 34a_100000211070_100000212216 [0,1,0,1,0,0|1,1,0]=4 18178 B10R1.21 CSCCNC1CCOC1 2230a_100020590264_100000731011 [0,1,0,1,0,0|2,0,0]=4 18179 B10R1.21 CSCCNC1CCOC1 270004a_100020590264_100000752484 [0,1,0,1,0,0|2,0,0]=4 18180 B10R1.21 CSCCN[C@@H]1CCOC1 2230a_200015188469_100000751147 [0,1,0,1,0,0|2,0,0]=4 18181 B10R1.21 CSCCN[C@H]1CCOC1 2230a_100015188467_100000751147 [0,1,0,1,0,0|2,0,0]=4 18182 B10R1.21 CSCCN[C@H]1CCOC1 34a_100015188467_100000212216 [0,1,0,1,0,0|2,0,0]=4 18183 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [0,1,0,1,0,0|1,1,0]=4 18184 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [0,1,0,1,0,0|1,1,0]=4 18185 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [0,1,0,1,0,0|1,1,0]=4 18186 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [0,1,0,1,0,0|1,1,0]=4 18187 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [0,1,0,1,0,0|1,0,0]=3 18188 B10R1.21 CSCCOC1CCOC1 34a_100000230434_100000690089 [0,1,0,1,0,0|2,0,0]=4 18189 B10R1.21 CSCCOC1CCOC1 7a_100000230434_100000731011 [0,1,0,1,0,0|2,0,0]=4 18190 B10R1.21 CSCCO[C@H]1CCOC1 34a_100000717292_100000212216 [0,1,0,1,0,0|2,0,0]=4 18191 B10R1.21 CSCCSC1CCCC1 62a_100000212216_100000179811 [0,1,0,1,0,0|1,1,0]=4 18192 B10R1.21 CSCCSC1CCCC1 62a_100011217020_100000751147 [0,1,0,1,0,0|1,1,0]=4 18193 B10R1.21 CSCCSC1CCOC1 62a_100000212216_100000690089 [0,1,0,1,0,0|2,0,0]=4 18194 B10R1.21 CSCNCC1CCCC1 2230a_100000737975_100011218213 [0,1,0,1,0,0|1,1,0]=4 18195 B10R1.21 CSCNCC1CCCC1 34a_100000737975_100011218213 [0,1,0,1,0,0|1,1,0]=4 18196 B10R1.21 CSCNCC1CCOC1 2230a_100000737293_100011218213 [0,1,0,1,0,0|2,0,0]=4 18197 B10R1.21 CSCNCC1CCOC1 34a_100000737293_100011218213 [0,1,0,1,0,0|2,0,0]=4 18198 B10R1.21 CSCNCC1OCCO1 2230a_100000036311_100011218213 [0,1,0,1,0,0|2,0,0]=4 18199 B10R1.21 CSCNCC1OCCO1 34a_100000036311_100011218213 [0,1,0,1,0,0|2,0,0]=4 18200 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [0,1,0,1,0,0|1,0,0]=3 18201 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [0,1,0,1,0,0|1,0,0]=3 18202 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [0,1,0,1,0,0|1,1,0]=4 18203 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [0,1,0,1,0,0|1,0,0]=3 18204 B10R1.21 CSCOCC1CCOC1 34a_100000740260_100011218213 [0,1,0,1,0,0|2,0,0]=4 18205 B10R1.21 CSCOCC1COCO1 34a_100011216627_100011218213 [0,1,0,1,0,0|2,0,0]=4 18206 B10R1.21 CSCOCC1OCCO1 34a_100000087154_100011218213 [0,1,0,1,0,0|2,0,0]=4 18207 B10R1.21 CSCOC[C@H]1CCCN1 34a_100000745186_100011218213 [0,1,0,1,0,0|2,0,0]=4 18208 B10R1.21 CSCSCC1CCCC1 62a_100000740388_100011218213 [0,1,0,1,0,0|1,1,0]=4 18209 B10R1.21 CSCSCC1CCCC1 62a_100011218213_100000740388 [0,1,0,1,0,0|1,1,0]=4 18210 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [0,1,0,1,0,0|1,0,0]=3 18211 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [0,1,0,1,0,0|1,0,0]=3 18212 B10R1.21 CSCSCC1CCOC1 62a_100000702531_100011218213 [0,1,0,1,0,0|2,0,0]=4 18213 B10R1.21 CSCSCC1CCOC1 62a_100011218213_100000702531 [0,1,0,1,0,0|2,0,0]=4 18214 B10R1.21 CSCSCC1OCCO1 62a_100000755774_100011218213 [0,1,0,1,0,0|2,0,0]=4 18215 B10R1.21 CSCSCC1OCCO1 62a_100011218213_100000755774 [0,1,0,1,0,0|2,0,0]=4 18216 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [0,1,0,1,0,0|1,0,0]=3 18217 B10R1.21 ClCCCOC1CCOC1 34a_100000230001_100000690089 [0,1,0,1,0,0|2,0,0]=4 18218 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [0,1,0,1,0,0|1,0,0]=3 18219 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [0,1,0,1,0,0|1,0,0]=3 18220 B10R1.21 FCCCCN1CCSC1 2230a_100011215254_100000729493 [0,1,0,1,0,0|2,0,0]=4 18221 B10R1.21 FCCCCN1CCSC1 269982a_100011215254_100000729493 [0,1,0,1,0,0|2,0,0]=4 18222 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [0,1,0,1,0,0|1,0,0]=3 18223 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [0,1,0,1,0,0|1,0,0]=3 18224 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [0,1,0,1,0,0|1,0,0]=3 18225 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [0,1,0,1,0,0|1,0,0]=3 18226 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [0,1,0,1,0,0|1,0,0]=3 18227 B10R1.21 FCCCNC1CCOC1 2230a_100015189416_100000731011 [0,1,0,1,0,0|2,0,0]=4 18228 B10R1.21 FCCCNC1CCOC1 270004a_100015189416_100000752484 [0,1,0,1,0,0|2,0,0]=4 18229 B10R1.21 FCCCNC1CCOC1 34a_100015189416_100000690089 [0,1,0,1,0,0|2,0,0]=4 18230 B10R1.21 FCCCNC1CCSC1 270004a_100015189416_100000212027 [0,1,0,1,0,0|2,0,0]=4 18231 B10R1.21 FCCCN[C@@H]1CCOC1 2230a_200015188469_100011934791 [0,1,0,1,0,0|2,0,0]=4 18232 B10R1.21 FCCCN[C@H]1CCOC1 2230a_100015188467_100011934791 [0,1,0,1,0,0|2,0,0]=4 18233 B10R1.21 FCCCN[C@H]1CCOC1 34a_100015188467_100011934791 [0,1,0,1,0,0|2,0,0]=4 18234 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [0,1,0,1,0,0|1,0,0]=3 18235 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [0,1,0,1,0,0|1,0,0]=3 18236 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [0,1,0,1,0,0|1,0,0]=3 18237 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [0,1,0,1,0,0|1,0,0]=3 18238 B10R1.21 FCCCOC1CCOC1 34a_100000759539_100000690089 [0,1,0,1,0,0|2,0,0]=4 18239 B10R1.21 FCCCOC1CCSC1 7a_100011232664_100011934791 [0,1,0,1,0,0|2,0,0]=4 18240 B10R1.21 FCCCO[C@H]1CCOC1 34a_100000717292_100011934791 [0,1,0,1,0,0|2,0,0]=4 18241 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [0,1,0,1,0,0|1,0,0]=3 18242 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [0,1,0,1,0,0|1,0,0]=3 18243 B10R1.21 FCCCSC1CCOC1 62a_100011934791_100000690089 [0,1,0,1,0,0|2,0,0]=4 18244 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [0,1,0,1,0,0|1,0,0]=3 18245 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [0,1,0,1,0,0|1,0,0]=3 18246 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [0,1,0,1,0,0|1,0,0]=3 18247 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [0,1,0,1,0,0|1,0,0]=3 18248 B10R1.21 FCCNCC1CCOC1 2230a_100000737293_100011217306 [0,1,0,1,0,0|2,0,0]=4 18249 B10R1.21 FCCNCC1CCOC1 34a_100000724931_100011261433 [0,1,0,1,0,0|2,0,0]=4 18250 B10R1.21 FCCNCC1CCOC1 34a_100000737293_100011217306 [0,1,0,1,0,0|2,0,0]=4 18251 B10R1.21 FCCNCC1OCCO1 2230a_100000036311_100011217306 [0,1,0,1,0,0|2,0,0]=4 18252 B10R1.21 FCCNCC1OCCO1 34a_100000036311_100011217306 [0,1,0,1,0,0|2,0,0]=4 18253 B10R1.21 FCCNCC1OCCO1 34a_100000724931_100000755774 [0,1,0,1,0,0|2,0,0]=4 18254 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [0,1,0,1,0,0|1,0,0]=3 18255 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [0,1,0,1,0,0|1,0,0]=3 18256 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,1,0,1,0,0|1,0,0]=3 18257 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,1,0,1,0,0|1,0,0]=3 18258 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [0,1,0,1,0,0|1,0,0]=3 18259 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [0,1,0,1,0,0|1,0,0]=3 18260 B10R1.21 FCCOCC1CCNC1 34a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 18261 B10R1.21 FCCOCC1CCOC1 34a_100000740260_100011217306 [0,1,0,1,0,0|2,0,0]=4 18262 B10R1.21 FCCOCC1COCO1 34a_100011216627_100011217306 [0,1,0,1,0,0|2,0,0]=4 18263 B10R1.21 FCCOCC1OCCO1 34a_100000087154_100011217306 [0,1,0,1,0,0|2,0,0]=4 18264 B10R1.21 FCCOC[C@H]1CCCN1 34a_100000745186_100011217306 [0,1,0,1,0,0|2,0,0]=4 18265 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [0,1,0,1,0,0|1,0,0]=3 18266 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [0,1,0,1,0,0|1,0,0]=3 18267 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [0,1,0,1,0,0|1,0,0]=3 18268 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [0,1,0,1,0,0|1,0,0]=3 18269 B10R1.21 FCCSCC1CCOC1 62a_100000702531_100011217306 [0,1,0,1,0,0|2,0,0]=4 18270 B10R1.21 FCCSCC1CCOC1 62a_100011217306_100000702531 [0,1,0,1,0,0|2,0,0]=4 18271 B10R1.21 FCCSCC1OCCO1 62a_100000755774_100011217306 [0,1,0,1,0,0|2,0,0]=4 18272 B10R1.21 FCCSCC1OCCO1 62a_100011217306_100000755774 [0,1,0,1,0,0|2,0,0]=4 18273 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [0,1,0,1,0,0|1,0,0]=3 18274 B10R1.21 FCNCCC1OCCO1 34a_100000034215_100015361967 [0,1,0,1,0,0|2,0,0]=4 18275 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,1,0,1,0,0|1,0,0]=3 18276 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,1,0,1,0,0|1,0,0]=3 18277 B10R1.21 FCOCCC1CCNC1 34a_100016987287_100015361967 [0,1,0,1,0,0|2,0,0]=4 18278 B10R1.21 FCOCCC1CCOC1 34a_100011879284_100015361967 [0,1,0,1,0,0|2,0,0]=4 18279 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [0,1,0,1,0,0|1,0,0]=3 18280 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [0,1,0,1,0,0|1,0,0]=3 18281 B10R1.21 FCSCCC1OCCO1 62a_100015361967_100000740749 [0,1,0,1,0,0|2,0,0]=4 18282 B10R1.21 FCSCCN1CCCC1 62a_100000700749_100015361967 [0,1,0,1,0,0|2,0,0]=4 18283 B10R1.21 FCSCCN1CCCC1 62a_100015361967_100000004467 [0,1,0,1,0,0|2,0,0]=4 18284 B10R1.21 N#CCCCN1CCCC1 2230a_100000188435_100000687738 [0,1,0,1,0,0|1,0,1]=4 18285 B10R1.21 N#CCCCN1CCCC1 269982a_100000188435_100000687738 [0,1,0,1,0,0|1,0,1]=4 18286 B10R1.21 N#CCCNC1CCCC1 2230a_100000211070_100011215226 [0,1,0,1,0,0|1,0,1]=4 18287 B10R1.21 N#CCCNC1CCCC1 270004a_100000720768_100000210133 [0,1,0,1,0,0|1,0,1]=4 18288 B10R1.21 N#CCCOC1CCCC1 7a_100000210269_100000184422 [0,1,0,1,0,0|1,0,1]=4 18289 B10R1.21 N#CCCSC1CCCC1 62a_100011215226_100000179811 [0,1,0,1,0,0|1,0,1]=4 18290 B10R1.21 N#CCCSC1CCCC1 62a_100011217020_100011215226 [0,1,0,1,0,0|1,0,1]=4 18291 B10R1.21 N#CCNCC1CCCC1 2230a_100000737975_100011215382 [0,1,0,1,0,0|1,0,1]=4 18292 B10R1.21 N#CCNC[C@@H]1CCCO1 2230a_100020590478_100011215382 [0,1,0,1,0,0|1,0,1]=4 18293 B10R1.21 N#CCOCC1CCCC1 7a_100000742336_100011215382 [0,1,0,1,0,0|1,0,1]=4 18294 B10R1.21 N#CCOCC1CCCO1 7a_100000210270_100011215382 [0,1,0,1,0,0|1,0,1]=4 18295 B10R1.21 N#CCSCC1CCCC1 62a_100000740388_100011215382 [0,1,0,1,0,0|1,0,1]=4 18296 B10R1.21 N#CCSCC1CCCC1 62a_100011215382_100000740388 [0,1,0,1,0,0|1,0,1]=4 18297 B10R1.21 N#CCSCC1CCCO1 62a_100000203698_100011215382 [0,1,0,1,0,0|1,0,1]=4 18298 B10R1.21 N#CCSCC1CCCO1 62a_100011215382_100000203698 [0,1,0,1,0,0|1,0,1]=4 18299 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [0,1,0,1,0,0|1,0,0]=3 18300 B10R1.21 NCCCOC1CCOC1 34a_100000182051_100000690089 [0,1,0,1,0,0|2,0,0]=4 18301 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,1,0,1,0,0|1,0,0]=3 18302 B10R1.21 NCCOCC1CCOC1 34a_100000210304_100011261433 [0,1,0,1,0,0|2,0,0]=4 18303 B10R1.21 NCCOCC1OCCO1 34a_100000210304_100000755774 [0,1,0,1,0,0|2,0,0]=4 18304 B10R1.21 NOCCOC1CCCC1 34a_100000700252_100000179811 [0,1,0,1,0,0|1,0,0]=3 18305 B10R1.21 NOCCOC1CCOC1 34a_100000700252_100000690089 [0,1,0,1,0,0|2,0,0]=4 18306 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,1,0,1,0,0|0,0,2]=4 18307 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,1,0,1,0,0|0,0,2]=4 18308 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,1,0,1,0,0|0,0,2]=4 18309 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,1,0,1,0,0|0,0,2]=4 18310 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,1,0,1,0,0|1,0,1]=4 18311 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,1,0,1,0,0|1,0,1]=4 18312 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,1,0,1,0,0|0,0,2]=4 18313 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,1,0,1,0,0|0,0,2]=4 18314 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,1,0,1,0,0|1,0,1]=4 18315 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,1,0,1,0,0|1,0,1]=4 18316 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,1,0,1,0,0|0,0,2]=4 18317 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,1,0,1,0,0|0,0,2]=4 18318 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,1,0,1,0,0|1,0,1]=4 18319 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,1,0,1,0,0|1,0,1]=4 18320 B10R1.21 OCC#CCN1CCCC1 2230a_100000188435_200000047223 [0,1,0,1,0,0|0,0,2]=4 18321 B10R1.21 OCCCCN1CC=CC1 269982a_100015195280_100000210776 [0,1,0,1,0,0|0,0,2]=4 18322 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,1,0,1,0,0|0,0,0]=2 18323 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,1,0,1,0,0|0,0,0]=2 18324 B10R1.21 OCCCCN1CCSC1 2230a_100011215254_100000210776 [0,1,0,1,0,0|1,0,0]=3 18325 B10R1.21 OCCCCN1CCSC1 269982a_100011215254_100000210776 [0,1,0,1,0,0|1,0,0]=3 18326 B10R1.21 OCCCNC1CC=CC1 2230a_100015188752_100000230001 [0,1,0,1,0,0|0,0,2]=4 18327 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,1,0,1,0,0|0,0,0]=2 18328 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,1,0,1,0,0|0,0,0]=2 18329 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,1,0,1,0,0|0,0,0]=2 18330 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [0,1,0,1,0,0|1,0,0]=3 18331 B10R1.21 OCCCNC1CCSC1 270004a_100000182051_100000212027 [0,1,0,1,0,0|1,0,0]=3 18332 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [0,1,0,1,0,0|1,0,0]=3 18333 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [0,1,0,1,0,0|1,0,0]=3 18334 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [0,1,0,1,0,0|1,0,0]=3 18335 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,1,0,1,0,0|0,0,0]=2 18336 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,1,0,1,0,0|0,0,0]=2 18337 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,1,0,1,0,0|1,0,0]=3 18338 B10R1.21 OCCCOC1CCSC1 7a_100011232664_100011215043 [0,1,0,1,0,0|1,0,0]=3 18339 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [0,1,0,1,0,0|1,0,0]=3 18340 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,1,0,1,0,0|0,0,0]=2 18341 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,1,0,1,0,0|0,0,0]=2 18342 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [0,1,0,1,0,0|1,0,0]=3 18343 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,1,0,1,0,0|0,0,0]=2 18344 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,1,0,1,0,0|0,0,0]=2 18345 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,1,0,1,0,0|0,0,0]=2 18346 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,1,0,1,0,0|0,0,0]=2 18347 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,1,0,1,0,0|0,0,0]=2 18348 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [0,1,0,1,0,0|1,0,0]=3 18349 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [0,1,0,1,0,0|1,0,0]=3 18350 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [0,1,0,1,0,0|1,0,0]=3 18351 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [0,1,0,1,0,0|1,0,0]=3 18352 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [0,1,0,1,0,0|1,0,0]=3 18353 B10R1.21 OCCNCC1OCCO1 2230a_100000036311_100000211926 [0,1,0,1,0,0|2,0,0]=4 18354 B10R1.21 OCCNCC1OCCO1 2230a_100016997473_100000755774 [0,1,0,1,0,0|2,0,0]=4 18355 B10R1.21 OCCNCC1OCCO1 34a_100000036311_100000211926 [0,1,0,1,0,0|2,0,0]=4 18356 B10R1.21 OCCNCC1OCCO1 34a_100016990907_100000755774 [0,1,0,1,0,0|2,0,0]=4 18357 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [0,1,0,1,0,0|1,0,0]=3 18358 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [0,1,0,1,0,0|1,0,0]=3 18359 B10R1.21 OCCNN=C1CCCC1 4a_100000210001_100000210133 [0,1,0,1,0,0|1,0,1]=4 18360 B10R1.21 OCCOCC1CC=CC1 34a_100000688395_100000211926 [0,1,0,1,0,0|0,0,2]=4 18361 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,1,0,1,0,0|0,0,0]=2 18362 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,1,0,1,0,0|0,0,0]=2 18363 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [0,1,0,1,0,0|1,0,0]=3 18364 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [0,1,0,1,0,0|1,0,0]=3 18365 B10R1.21 OCCOCC1CCNC1 34a_100000748654_100000211926 [0,1,0,1,0,0|1,0,0]=3 18366 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,1,0,1,0,0|1,0,0]=3 18367 B10R1.21 OCCOCC1COCO1 34a_100011216627_100000211926 [0,1,0,1,0,0|2,0,0]=4 18368 B10R1.21 OCCOCC1OCCO1 34a_100000087154_100000211926 [0,1,0,1,0,0|2,0,0]=4 18369 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [0,1,0,1,0,0|1,0,0]=3 18370 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,1,0,1,0,0|0,0,0]=2 18371 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,1,0,1,0,0|0,0,0]=2 18372 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [0,1,0,1,0,0|1,0,0]=3 18373 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [0,1,0,1,0,0|1,0,0]=3 18374 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [0,1,0,1,0,0|1,0,0]=3 18375 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [0,1,0,1,0,0|1,0,0]=3 18376 B10R1.21 OCCSCC1OCCO1 62a_100000211926_100000755774 [0,1,0,1,0,0|2,0,0]=4 18377 B10R1.21 OCCSCC1OCCO1 62a_100000755774_100000211926 [0,1,0,1,0,0|2,0,0]=4 18378 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [0,1,0,1,0,0|1,0,0]=3 18379 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [0,1,0,1,0,0|1,0,0]=3 18380 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [0,1,0,1,0,0|2,0,0]=4 18381 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,1,0,1,0,0|0,0,0]=2 18382 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,1,0,1,0,0|0,0,0]=2 18383 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [0,1,0,1,0,0|1,0,0]=3 18384 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [0,1,0,1,0,0|1,0,0]=3 18385 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|1,0,0]=3 18386 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,1,0,1,0,0|1,0,0]=3 18387 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,1,0,1,0,0|1,0,0]=3 18388 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [0,1,0,1,0,0|0,1,0]=3 18389 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [0,1,0,1,0,0|0,1,0]=3 18390 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,1,0,1,0,0|1,0,0]=3 18391 B10R1.21 [13CH3]SCCCN1CCCC1 62a_100016991639_200025704644 [0,1,0,1,0,0|1,1,0]=4 18392 B10R1.21 [13CH3]SCCCN1CCCC1 62a_200025704644_100011445909 [0,1,0,1,0,0|1,1,0]=4 18393 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 18394 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 18395 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 18396 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 18397 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 2230a_200015396376_200000210301 [0,1,0,1,0,0|2,0,0]=4 18398 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 269982a_200015396376_200000210301 [0,1,0,1,0,0|2,0,0]=4 18399 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 2230a_200015396376_200025704644 [0,1,0,1,0,0|2,0,0]=4 18400 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 269982a_200015396376_200025704644 [0,1,0,1,0,0|2,0,0]=4 18401 B10R1.29 C#CCCN1CCC[C@@H]1C 2230a_100020605311_100000688953 [0,1,0,1,0,0|1,0,1]=4 18402 B10R1.29 C#CCCN1CCC[C@@H]1C 269982a_100020605311_100000730999 [0,1,0,1,0,0|1,0,1]=4 18403 B10R1.29 C#CCCN1CCC[C@H]1C 2230a_100015189458_100000688953 [0,1,0,1,0,0|1,0,1]=4 18404 B10R1.29 C#CCCN1CCC[C@H]1C 269982a_100015189458_100000730999 [0,1,0,1,0,0|1,0,1]=4 18405 B10R1.29 C#CCCN1CCC[C@H]1C 34a_100015189458_100000688953 [0,1,0,1,0,0|1,0,1]=4 18406 B10R1.29 C#CCOC1CCCC1C 34a_100011216460_100000184674 [0,1,0,1,0,0|1,0,1]=4 18407 B10R1.29 C#CCOC1CCCC1C 7a_100011216460_100000038162 [0,1,0,1,0,0|1,0,1]=4 18408 B10R1.29 C#CCS[C@@H]1CCC[C@H]1O 62a_100000038162_200016002552 [0,1,0,1,0,0|0,0,2]=4 18409 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [0,1,0,1,0,0|1,0,1]=4 18410 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [0,1,0,1,0,0|1,0,1]=4 18411 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [0,1,0,1,0,0|1,0,1]=4 18412 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [0,1,0,1,0,0|1,0,1]=4 18413 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [0,1,0,1,0,0|1,0,1]=4 18414 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [0,1,0,1,0,0|1,0,1]=4 18415 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [0,1,0,1,0,0|1,0,1]=4 18416 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_100000210623_200016002552 [0,1,0,1,0,0|0,0,2]=4 18417 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210623 [0,1,0,1,0,0|0,0,2]=4 18418 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [0,1,0,1,0,0|1,0,0]=3 18419 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,1,0,1,0,0|0,0,0]=2 18420 B10R1.29 CC1CCCC1OCC#N 7a_100011216460_100011215382 [0,1,0,1,0,0|1,0,1]=4 18421 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,1,0,1,0,0|0,0,2]=4 18422 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,1,0,1,0,0|0,0,2]=4 18423 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,1,0,1,0,0|1,0,0]=3 18424 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,1,0,1,0,0|1,0,0]=3 18425 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,1,0,1,0,0|0,0,0]=2 18426 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,1,0,1,0,0|0,0,0]=2 18427 B10R1.29 CC1OCCC1NCCO 270004a_100000210304_100000691750 [0,1,0,1,0,0|1,0,0]=3 18428 B10R1.29 CC1SCCN1CCCF 2230a_200011216479_100011934791 [0,1,0,1,0,0|2,0,0]=4 18429 B10R1.29 CC1SCCN1CCCF 269982a_200011216479_100011934791 [0,1,0,1,0,0|2,0,0]=4 18430 B10R1.29 CC1SCCN1CCCF 34a_200011216479_100011934791 [0,1,0,1,0,0|2,0,0]=4 18431 B10R1.29 CC1SCCN1CCCO 2230a_200011216479_100000230001 [0,1,0,1,0,0|1,0,0]=3 18432 B10R1.29 CC1SCCN1CCCO 269982a_200011216479_100011215043 [0,1,0,1,0,0|1,0,0]=3 18433 B10R1.29 CC1SCCN1CCCO 34a_200011216479_100000230001 [0,1,0,1,0,0|1,0,0]=3 18434 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,1,0,1,0,0|1,0,0]=3 18435 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,1,0,1,0,0|1,0,0]=3 18436 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,1,0,1,0,0|1,0,0]=3 18437 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,1,0,1,0,0|1,0,0]=3 18438 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,1,0,1,0,0|1,0,0]=3 18439 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [0,1,0,1,0,0|2,0,0]=4 18440 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [0,1,0,1,0,0|2,0,0]=4 18441 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [0,1,0,1,0,0|2,0,0]=4 18442 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,1,0,1,0,0|1,0,0]=3 18443 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [0,1,0,1,0,0|2,0,0]=4 18444 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,1,0,1,0,0|1,0,0]=3 18445 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|0,0,2]=4 18446 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|0,0,2]=4 18447 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,1,0,1,0,0|1,0,0]=3 18448 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,1,0,1,0,0|1,0,0]=3 18449 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,1,0,1,0,0|1,0,0]=3 18450 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,1,0,1,0,0|1,0,0]=3 18451 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,1,0,1,0,0|1,0,0]=3 18452 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [0,1,0,1,0,0|2,0,0]=4 18453 B10R1.29 CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210303 [0,1,0,1,0,0|2,0,0]=4 18454 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|0,0,2]=4 18455 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|0,0,2]=4 18456 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,1,0,1,0,0|1,0,0]=3 18457 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,1,0,1,0,0|1,0,0]=3 18458 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,1,0,1,0,0|0,0,0]=2 18459 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,1,0,1,0,0|0,0,0]=2 18460 B10R1.29 CCNN=C1CCCC1O 4a_100000756455_200000719330 [0,1,0,1,0,0|1,0,1]=4 18461 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,1,0,1,0,0|2,0,0]=4 18462 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [0,1,0,1,0,0|2,0,0]=4 18463 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [0,1,0,1,0,0|2,0,0]=4 18464 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [0,1,0,1,0,0|1,0,0]=3 18465 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [0,1,0,1,0,0|1,0,0]=3 18466 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [0,1,0,1,0,0|1,1,0]=4 18467 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [0,1,0,1,0,0|1,1,0]=4 18468 B10R1.29 CN1CCCC1COCF 34a_100000743107_100015361967 [0,1,0,1,0,0|2,0,0]=4 18469 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [0,1,0,1,0,0|2,0,0]=4 18470 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [0,1,0,1,0,0|2,0,0]=4 18471 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [0,1,0,1,0,0|2,0,0]=4 18472 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [0,1,0,1,0,0|1,0,0]=3 18473 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [0,1,0,1,0,0|1,0,0]=3 18474 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [0,1,0,1,0,0|1,0,0]=3 18475 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [0,1,0,1,0,0|1,0,0]=3 18476 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [0,1,0,1,0,0|1,0,0]=3 18477 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [0,1,0,1,0,0|1,0,0]=3 18478 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [0,1,0,1,0,0|1,0,0]=3 18479 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [0,1,0,1,0,0|1,0,0]=3 18480 B10R1.29 COCCN1CCSC1C 2230a_200011216479_100011201679 [0,1,0,1,0,0|2,0,0]=4 18481 B10R1.29 COCCN1CCSC1C 269982a_200011216479_100000233755 [0,1,0,1,0,0|2,0,0]=4 18482 B10R1.29 COCCN1CCSC1C 34a_200011216479_100011201679 [0,1,0,1,0,0|2,0,0]=4 18483 B10R1.29 COCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000766300 [0,1,0,1,0,0|2,0,0]=4 18484 B10R1.29 COCSC1COCC1O 62a_100000766300_200000725654 [0,1,0,1,0,0|2,0,0]=4 18485 B10R1.29 COCSC1COCC1O 62a_200000725654_100000766300 [0,1,0,1,0,0|2,0,0]=4 18486 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_100000766300_200016002552 [0,1,0,1,0,0|1,0,0]=3 18487 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000766300 [0,1,0,1,0,0|1,0,0]=3 18488 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [0,1,0,1,0,0|1,1,0]=4 18489 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [0,1,0,1,0,0|1,1,0]=4 18490 B10R1.29 CSCCN1CCC[C@@H]1C 2230a_100020605311_100000751147 [0,1,0,1,0,0|1,1,0]=4 18491 B10R1.29 CSCCN1CCC[C@@H]1C 269982a_100020605311_100000212216 [0,1,0,1,0,0|1,1,0]=4 18492 B10R1.29 CSCCN1CCC[C@H]1C 2230a_100015189458_100000751147 [0,1,0,1,0,0|1,1,0]=4 18493 B10R1.29 CSCCN1CCC[C@H]1C 269982a_100015189458_100000212216 [0,1,0,1,0,0|1,1,0]=4 18494 B10R1.29 CSCCN1CCC[C@H]1C 34a_100015189458_100000212216 [0,1,0,1,0,0|1,1,0]=4 18495 B10R1.29 CSCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218213 [0,1,0,1,0,0|2,0,0]=4 18496 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [0,1,0,1,0,0|1,1,0]=4 18497 B10R1.29 CSCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218213 [0,1,0,1,0,0|2,0,0]=4 18498 B10R1.29 CSCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218213 [0,1,0,1,0,0|2,0,0]=4 18499 B10R1.29 CSCSC1COCC1O 62a_100011218213_200000725654 [0,1,0,1,0,0|2,0,0]=4 18500 B10R1.29 CSCSC1COCC1O 62a_200000725654_100011218213 [0,1,0,1,0,0|2,0,0]=4 18501 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_100011218213_200016002552 [0,1,0,1,0,0|1,0,0]=3 18502 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218213 [0,1,0,1,0,0|1,0,0]=3 18503 B10R1.29 C[C@@H]1CCCN1CCC#N 2230a_100015189458_100011215226 [0,1,0,1,0,0|1,0,1]=4 18504 B10R1.29 C[C@@H]1CCCN1CCC#N 269982a_100015189458_100011215226 [0,1,0,1,0,0|1,0,1]=4 18505 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [0,1,0,1,0,0|1,0,0]=3 18506 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [0,1,0,1,0,0|1,0,0]=3 18507 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [0,1,0,1,0,0|1,0,0]=3 18508 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,1,0,1,0,0|0,0,0]=2 18509 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,1,0,1,0,0|0,0,0]=2 18510 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,1,0,1,0,0|0,0,0]=2 18511 B10R1.29 C[C@@H]1CNC[C@@H]1OCCF 34a_200015306588_100011217306 [0,1,0,1,0,0|2,0,0]=4 18512 B10R1.29 C[C@@H]1CNC[C@@H]1OCCO 34a_200015306588_100000211926 [0,1,0,1,0,0|1,0,0]=3 18513 B10R1.29 C[C@H]1CCCN1CCC#N 2230a_100020605311_100011215226 [0,1,0,1,0,0|1,0,1]=4 18514 B10R1.29 C[C@H]1CCCN1CCC#N 269982a_100020605311_100011215226 [0,1,0,1,0,0|1,0,1]=4 18515 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [0,1,0,1,0,0|1,0,0]=3 18516 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [0,1,0,1,0,0|1,0,0]=3 18517 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,1,0,1,0,0|0,0,0]=2 18518 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,1,0,1,0,0|0,0,0]=2 18519 B10R1.29 FCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011217306 [0,1,0,1,0,0|2,0,0]=4 18520 B10R1.29 N#CCS[C@@H]1CCC[C@H]1O 62a_100011215382_200016002552 [0,1,0,1,0,0|1,0,1]=4 18521 B10R1.29 N#CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215382 [0,1,0,1,0,0|1,0,1]=4 18522 B10R1.29 NCCOC1COCC1O 34a_100000210304_200000725654 [0,1,0,1,0,0|2,0,0]=4 18523 B10R1.29 N[C@H]1CCC[C@@H]1OCCF 34a_100000748460_100011217306 [0,1,0,1,0,0|2,0,0]=4 18524 B10R1.29 N[C@H]1CCC[C@@H]1OCCO 34a_100000748460_100000211926 [0,1,0,1,0,0|1,0,0]=3 18525 B10R1.29 N[C@H]1COC[C@@H]1OCCO 34a_100015191717_100000211926 [0,1,0,1,0,0|2,0,0]=4 18526 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,1,0,1,0,0|1,0,1]=4 18527 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,1,0,1,0,0|1,0,1]=4 18528 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,1,0,1,0,0|1,0,1]=4 18529 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,1,0,1,0,0|1,0,1]=4 18530 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,1,0,1,0,0|1,0,1]=4 18531 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [0,1,0,1,0,0|1,0,1]=4 18532 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [0,1,0,1,0,0|1,0,1]=4 18533 B10R1.29 OC1COCC1NCCF 34a_100000724931_200000725654 [0,1,0,1,0,0|2,0,0]=4 18534 B10R1.29 OC1COCC1OCCBr 34a_100000211926_200000725654 [0,1,0,1,0,0|2,0,0]=4 18535 B10R1.29 OC1COCC1SCCF 62a_100011217306_200000725654 [0,1,0,1,0,0|2,0,0]=4 18536 B10R1.29 OC1COCC1SCCF 62a_200000725654_100011217306 [0,1,0,1,0,0|2,0,0]=4 18537 B10R1.29 OCCNC1COCC1O 34a_100016990907_200000725654 [0,1,0,1,0,0|2,0,0]=4 18538 B10R1.29 OCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000211926 [0,1,0,1,0,0|2,0,0]=4 18539 B10R1.29 OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211926 [0,1,0,1,0,0|1,0,0]=3 18540 B10R1.29 OCCSC1COCC1O 62a_100000211926_200000725654 [0,1,0,1,0,0|2,0,0]=4 18541 B10R1.29 OCCSC1COCC1O 62a_200000725654_100000211926 [0,1,0,1,0,0|2,0,0]=4 18542 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [0,1,0,1,0,0|1,0,0]=3 18543 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [0,1,0,1,0,0|1,0,0]=3 18544 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_100011217306_200016002552 [0,1,0,1,0,0|1,0,0]=3 18545 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_200016002552_100011217306 [0,1,0,1,0,0|1,0,0]=3 18546 B10R1.29 O[C@H]1COC[C@@H]1NCCF 2230a_100015191717_100011217306 [0,1,0,1,0,0|2,0,0]=4 18547 B10R1.85 C#CCN1CCCCCC1 2230a_100000185865_100000038162 [0,1,0,1,0,0|1,0,1]=4 18548 B10R1.85 C#CCN1CCCCCC1 34a_100000185865_100000184674 [0,1,0,1,0,0|1,0,1]=4 18549 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,1,0,1,0,0|1,0,1]=4 18550 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,1,0,1,0,0|1,0,1]=4 18551 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,1,0,1,0,0|1,0,1]=4 18552 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,1,0,1,0,0|1,0,0]=3 18553 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,1,0,1,0,0|1,0,0]=3 18554 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,1,0,1,0,0|1,0,0]=3 18555 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [0,1,0,1,0,0|2,0,0]=4 18556 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [0,1,0,1,0,0|2,0,0]=4 18557 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [0,1,0,1,0,0|2,0,0]=4 18558 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,1,0,1,0,0|1,0,0]=3 18559 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,1,0,1,0,0|1,0,0]=3 18560 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,1,0,1,0,0|1,0,0]=3 18561 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [0,1,0,1,0,0|2,0,0]=4 18562 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,1,0,1,0,0|1,0,0]=3 18563 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,1,0,1,0,0|1,0,0]=3 18564 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,1,0,1,0,0|1,0,0]=3 18565 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,1,0,1,0,0|1,0,0]=3 18566 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,1,0,1,0,0|1,0,0]=3 18567 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,1,0,1,0,0|1,0,0]=3 18568 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,1,0,1,0,0|1,0,0]=3 18569 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,1,0,1,0,0|1,0,0]=3 18570 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,1,0,1,0,0|1,0,0]=3 18571 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,1,0,1,0,0|1,0,0]=3 18572 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,1,0,1,0,0|1,0,0]=3 18573 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,1,0,1,0,0|0,0,0]=2 18574 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,1,0,1,0,0|0,0,0]=2 18575 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,1,0,1,0,0|0,0,0]=2 18576 B10R1.85 COCC1CNCCOC1 34a_100103147999_200000210301 [0,1,0,1,0,0|2,0,0]=4 18577 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,1,0,1,0,0|1,0,0]=3 18578 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,1,0,1,0,0|1,0,0]=3 18579 B10R1.85 COCN1CCCOCC1 2230a_100000685342_100000766300 [0,1,0,1,0,0|2,0,0]=4 18580 B10R1.85 COCN1CCCOCC1 269982a_100000685342_100000766300 [0,1,0,1,0,0|2,0,0]=4 18581 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,1,0,1,0,0|0,1,0]=3 18582 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,1,0,1,0,0|0,1,0]=3 18583 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [0,1,0,1,0,0|1,1,0]=4 18584 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [0,1,0,1,0,0|1,1,0]=4 18585 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [0,1,0,1,0,0|1,1,0]=4 18586 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,1,0,1,0,0|1,0,0]=3 18587 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,1,0,1,0,0|1,0,0]=3 18588 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,1,0,1,0,0|1,0,0]=3 18589 B10R1.85 FCCN1CCCOCC1 2230a_100000685342_100011217306 [0,1,0,1,0,0|2,0,0]=4 18590 B10R1.85 FCCN1CCCOCC1 269982a_100000685342_100011217306 [0,1,0,1,0,0|2,0,0]=4 18591 B10R1.85 FCCN1CCCOCC1 34a_100000685342_100011217306 [0,1,0,1,0,0|2,0,0]=4 18592 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,1,0,1,0,0|1,0,0]=3 18593 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,1,0,1,0,0|1,0,0]=3 18594 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,1,0,1,0,0|1,0,0]=3 18595 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,1,0,1,0,0|1,0,0]=3 18596 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,1,0,1,0,0|1,0,0]=3 18597 B10R1.85 N#CCN1CCCCCC1 2230a_100000185865_100011215382 [0,1,0,1,0,0|1,0,1]=4 18598 B10R1.85 N#CCN1CCCCCC1 269982a_100000185865_100011214920 [0,1,0,1,0,0|1,0,1]=4 18599 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,1,0,1,0,0|0,0,2]=4 18600 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,1,0,1,0,0|0,0,2]=4 18601 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,1,0,1,0,0|0,0,2]=4 18602 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,1,0,1,0,0|0,0,0]=2 18603 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,1,0,1,0,0|0,0,0]=2 18604 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,1,0,1,0,0|0,0,0]=2 18605 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [0,1,0,1,0,0|1,0,0]=3 18606 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [0,1,0,1,0,0|1,0,0]=3 18607 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [0,1,0,1,0,0|1,0,0]=3 18608 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,1,0,1,0,0|1,0,0]=3 18609 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,1,0,1,0,0|1,0,0]=3 18610 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,1,0,1,0,0|0,0,0]=2 18611 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,1,0,1,0,0|0,0,0]=2 18612 B10R1.85 [13CH3]OCC1CNCCOC1 34a_100103147999_200025704644 [0,1,0,1,0,0|2,0,0]=4 18613 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,1,0,1,0,0|0,1,0]=3 18614 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,1,0,1,0,0|0,1,0]=3 18615 B10R1.92 CCOC1CN(C1)CCO 269982a_100000732654_100000211926 [0,1,0,1,0,0|2,0,0]=4 18616 B10R1.92 CCOC1CN(C1)CCO 34a_100000732654_100000211926 [0,1,0,1,0,0|2,0,0]=4 18617 B10R1.92 COCC1CN(C1)CCO 2230a_100016993750_100000211926 [0,1,0,1,0,0|2,0,0]=4 18618 B10R1.92 COCC1CN(C1)CCO 269982a_100016993750_100000211926 [0,1,0,1,0,0|2,0,0]=4 18619 B10R1.92 COCC1CN(C1)CCO 34a_100016993750_100000211926 [0,1,0,1,0,0|2,0,0]=4 18620 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,1,0,1,0,0|2,0,0]=4 18621 B10R1.96 CCCN1CCC(C1)CO 2230a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 18622 B10R1.96 CCCN1CCC(C1)CO 269982a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 18623 B10R1.96 CCCN1CCC(C1)CO 34a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 18624 B10R1.96 CCN1CCC(C1)CCO 2230a_100016987287_100000210202 [0,1,0,1,0,0|1,0,0]=3 18625 B10R1.96 CCN1CCC(C1)CCO 269982a_100016987287_100000204670 [0,1,0,1,0,0|1,0,0]=3 18626 B10R1.96 CCN1CCC(C1)CCO 34a_100016987287_100000210202 [0,1,0,1,0,0|1,0,0]=3 18627 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,1,0,1,0,0|2,0,0]=4 18628 B10R1.96 CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200000210301 [0,1,0,1,0,0|1,0,0]=3 18629 B10R1.96 COCN1CCC(C1)CO 2230a_100000748654_100000766300 [0,1,0,1,0,0|2,0,0]=4 18630 B10R1.96 COCN1CCC(C1)CO 269982a_100000748654_100000766300 [0,1,0,1,0,0|2,0,0]=4 18631 B10R1.96 COC[C@H]1CC[C@H](C1)CN 34a_206354213956_200000210301 [0,1,0,1,0,0|2,0,0]=4 18632 B10R1.96 CO[C@@H]1CCN(C1)CCO 2230a_100000766984_100000211926 [0,1,0,1,0,0|2,0,0]=4 18633 B10R1.96 CO[C@@H]1CCN(C1)CCO 269982a_100000766984_100000211926 [0,1,0,1,0,0|2,0,0]=4 18634 B10R1.96 CSCN1CCC(C1)CO 2230a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 18635 B10R1.96 CSCN1CCC(C1)CO 269982a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 18636 B10R1.96 CSCN1CCC(C1)CO 34a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 18637 B10R1.96 OCC1CCN(C1)CCF 2230a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 18638 B10R1.96 OCC1CCN(C1)CCF 269982a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 18639 B10R1.96 OCC1CCN(C1)CCF 34a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 18640 B10R1.96 OCCC1CCN(C1)CF 269982a_100016987287_100015361967 [0,1,0,1,0,0|2,0,0]=4 18641 B10R1.96 OCCC1CCN(C1)CF 34a_100016987287_100015361967 [0,1,0,1,0,0|2,0,0]=4 18642 B10R1.96 OCCN1CCC(C1)CO 2230a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 18643 B10R1.96 OCCN1CCC(C1)CO 269982a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 18644 B10R1.96 OCCN1CCC(C1)CO 34a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 18645 B10R1.96 [13CH3]NC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200025704644 [0,1,0,1,0,0|1,0,0]=3 18646 B10R1.96 [13CH3]OC[C@H]1CC[C@H](C1)CN 34a_206354213956_200025704644 [0,1,0,1,0,0|2,0,0]=4 18647 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|1,0,1]=4 18648 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|0,0,1]=3 18649 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|1,0,1]=4 18650 B10R1.136 CC(CCO)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009893172 [0,1,0,1,0,0|2,0,0]=4 18651 B10R1.136 CC(CCO)N[C@@H]1C[C@H]1F 2230a_100025746932_100009893172 [0,1,0,1,0,0|2,0,0]=4 18652 B10R1.136 CC(CCO)N[C@@H]1C[C@H]1F 34a_100025746932_100009893172 [0,1,0,1,0,0|2,0,0]=4 18653 B10R1.136 CCCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000766640 [0,1,0,1,0,0|2,0,0]=4 18654 B10R1.136 CCCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000766640 [0,1,0,1,0,0|2,0,0]=4 18655 B10R1.136 CCCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000766640 [0,1,0,1,0,0|2,0,0]=4 18656 B10R1.137 CC(CCBr)OC1CCC1 34a_100012276601_100000749161 [0,1,0,1,0,0|2,0,0]=4 18657 B10R1.137 CC(CCO)NC1CCC1 2230a_100000749019_100009893172 [0,1,0,1,0,0|1,0,0]=3 18658 B10R1.137 CC(CCO)NC1CCC1 34a_100000749019_100009893172 [0,1,0,1,0,0|1,0,0]=3 18659 B10R1.137 CC(CCO)NC1COC1 2230a_100016991112_100009893172 [0,1,0,1,0,0|2,0,0]=4 18660 B10R1.137 CC(CCO)OC1CCC1 34a_100000748187_100009893172 [0,1,0,1,0,0|1,0,0]=3 18661 B10R1.137 CC(CCO)OC1CSC1 7a_100000072292_100009893172 [0,1,0,1,0,0|2,0,0]=4 18662 B10R1.137 CC(CCO)SC1CCC1 62a_100009893172_100000749161 [0,1,0,1,0,0|1,0,0]=3 18663 B10R1.137 CC(CCO)SC1COC1 62a_100009893172_100009818527 [0,1,0,1,0,0|2,0,0]=4 18664 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|1,0,1]=4 18665 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|1,0,1]=4 18666 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|0,0,1]=3 18667 B10R1.137 CCCC(C)CN1CCC1 269982a_100000754969_100011216630 [0,1,0,1,0,0|2,0,0]=4 18668 B10R1.137 CCCC(C)NC1CCC1 2230a_100000749019_100000766640 [0,1,0,1,0,0|2,0,0]=4 18669 B10R1.137 CCCC(C)NC1CCC1 270004a_100000741246_100000241760 [0,1,0,1,0,0|2,0,0]=4 18670 B10R1.137 CCCC(C)NC1CCC1 34a_100000749019_100000766640 [0,1,0,1,0,0|2,0,0]=4 18671 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [0,1,0,1,0,0|2,0,0]=4 18672 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [0,1,0,1,0,0|2,0,0]=4 18673 B10R1.137 CCCC(C)SC1CCC1 62a_100000766640_100000749161 [0,1,0,1,0,0|2,0,0]=4 18674 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [0,1,0,1,0,0|2,0,0]=4 18675 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 18676 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [0,1,0,1,0,0|2,0,0]=4 18677 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 18678 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 18679 B10R1.137 CCCN(C)CC1CCO1 2230a_100000747261_100000103362 [0,1,0,1,0,0|1,0,0]=3 18680 B10R1.137 CCCN(C)CC1CCO1 269982a_100000747261_100000103362 [0,1,0,1,0,0|1,0,0]=3 18681 B10R1.137 CN(CCF)CC1CCC1 2230a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 18682 B10R1.137 CN(CCF)CC1CCC1 269982a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 18683 B10R1.137 CN(CCF)CC1CCC1 34a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 18684 B10R1.137 CN(CCO)CC1CCC1 2230a_100000210263_100000763275 [0,1,0,1,0,0|1,0,0]=3 18685 B10R1.137 CN(CCO)CC1CCC1 2230a_200000750244_100000211926 [0,1,0,1,0,0|1,0,0]=3 18686 B10R1.137 CN(CCO)CC1CCC1 269982a_100000210263_100000763275 [0,1,0,1,0,0|1,0,0]=3 18687 B10R1.137 CN(CCO)CC1CCC1 269982a_200000750244_100000211926 [0,1,0,1,0,0|1,0,0]=3 18688 B10R1.137 CN(CCO)CC1CCC1 34a_200000750244_100000211926 [0,1,0,1,0,0|1,0,0]=3 18689 B10R1.137 CN(CCO)CC1CCO1 2230a_100000210263_100000103362 [0,1,0,1,0,0|2,0,0]=4 18690 B10R1.137 CN(CCO)CC1CCO1 269982a_100000210263_100000103362 [0,1,0,1,0,0|2,0,0]=4 18691 B10R1.137 CN(CCO)CC1COC1 2230a_100000210263_100010264016 [0,1,0,1,0,0|2,0,0]=4 18692 B10R1.137 CN(CCO)CC1COC1 269982a_100000210263_100010264016 [0,1,0,1,0,0|2,0,0]=4 18693 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|1,0,1]=4 18694 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|1,0,1]=4 18695 B10R1.137 C[C@H](CCO)NC1CCC1 270004a_100000706166_100000241760 [0,1,0,1,0,0|1,0,0]=3 18696 B10R1.137 C[C@H](CCO)NC1CCC1 34a_100000706166_100000749161 [0,1,0,1,0,0|1,0,0]=3 18697 B10R1.137 C[C@H](CCO)NC1COC1 34a_100000706166_100009818527 [0,1,0,1,0,0|2,0,0]=4 18698 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|1,0,1]=4 18699 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|0,0,1]=3 18700 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|0,0,1]=3 18701 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|1,0,1]=4 18702 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|1,0,1]=4 18703 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|1,0,1]=4 18704 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,1,0,1,0,0|1,0,1]=4 18705 B10R1.138 CC(CCBr)OCC1CC1 34a_100012276601_100000742324 [0,1,0,1,0,0|2,0,0]=4 18706 B10R1.138 CC(CCBr)OCC1CO1 34a_100012276601_102125554688 [0,1,0,1,0,0|2,0,0]=4 18707 B10R1.138 CC(CCN)COC1CC1 34a_106354213184_100000211595 [0,1,0,1,0,0|2,0,0]=4 18708 B10R1.138 CC(CCO)NCC1CC1 2230a_100000735609_100009893172 [0,1,0,1,0,0|1,0,0]=3 18709 B10R1.138 CC(CCO)NCC1CC1 34a_100000735609_100009893172 [0,1,0,1,0,0|1,0,0]=3 18710 B10R1.138 CC(CCO)OCC1CC1 34a_100000211283_100009893172 [0,1,0,1,0,0|1,0,0]=3 18711 B10R1.138 CC(CCO)OC[C@@H]1CO1 34a_100000757423_100009893172 [0,1,0,1,0,0|2,0,0]=4 18712 B10R1.138 CC(CCO)SCC1CC1 62a_100000756562_100009893172 [0,1,0,1,0,0|1,0,0]=3 18713 B10R1.138 CC(CCO)SCC1CC1 62a_100009893172_100000742324 [0,1,0,1,0,0|1,0,0]=3 18714 B10R1.138 CC(CCO)SCC1CO1 62a_100009893172_102125554688 [0,1,0,1,0,0|2,0,0]=4 18715 B10R1.138 CC(CCO)SCC1CO1 62a_102125554688_100009893172 [0,1,0,1,0,0|2,0,0]=4 18716 B10R1.138 CC(CCO)SCC1CS1 62a_100000031435_100009893172 [0,1,0,1,0,0|2,0,0]=4 18717 B10R1.138 CC(CCO)SCC1CS1 62a_100009893172_100000031435 [0,1,0,1,0,0|2,0,0]=4 18718 B10R1.138 CC(CCO)SC[C@@H]1CO1 62a_100000745022_100009893172 [0,1,0,1,0,0|2,0,0]=4 18719 B10R1.138 CC(CCO)SC[C@@H]1CO1 62a_100009893172_100000745022 [0,1,0,1,0,0|2,0,0]=4 18720 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|1,0,1]=4 18721 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|1,0,1]=4 18722 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|0,0,1]=3 18723 B10R1.138 CCCC(C)CNC1CC1 34a_100000212008_100011216630 [0,1,0,1,0,0|2,0,0]=4 18724 B10R1.138 CCCC(C)COC1CC1 34a_100000688023_100000211595 [0,1,0,1,0,0|2,0,0]=4 18725 B10R1.138 CCCC(C)CSC1CC1 62a_100011216630_100000211595 [0,1,0,1,0,0|2,0,0]=4 18726 B10R1.138 CCCC(C)NCC1CC1 2230a_100000735609_100000766640 [0,1,0,1,0,0|2,0,0]=4 18727 B10R1.138 CCCC(C)NCC1CC1 2230a_100000741246_100000742324 [0,1,0,1,0,0|2,0,0]=4 18728 B10R1.138 CCCC(C)NCC1CC1 269862a_100000741246_100000741477 [0,1,0,1,0,0|2,0,0]=4 18729 B10R1.138 CCCC(C)NCC1CC1 270004a_100000735609_100000211909 [0,1,0,1,0,0|2,0,0]=4 18730 B10R1.138 CCCC(C)NCC1CC1 34a_100000735609_100000766640 [0,1,0,1,0,0|2,0,0]=4 18731 B10R1.138 CCCC(C)NCC1CO1 2230a_100000741246_100011216344 [0,1,0,1,0,0|1,0,0]=3 18732 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [0,1,0,1,0,0|2,0,0]=4 18733 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 18734 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 18735 B10R1.138 CCCC(C)OCC1CO1 34a_100000764384_102125554688 [0,1,0,1,0,0|1,0,0]=3 18736 B10R1.138 CCCC(C)OCC1CO1 7a_100000764384_102125554688 [0,1,0,1,0,0|1,0,0]=3 18737 B10R1.138 CCCC(C)OCC1CS1 7a_100000764384_100000031435 [0,1,0,1,0,0|1,1,0]=4 18738 B10R1.138 CCCC(C)OC[C@@H]1CO1 34a_100000757423_100000766640 [0,1,0,1,0,0|1,0,0]=3 18739 B10R1.138 CCCC(C)OC[C@@H]1CO1 7a_100000764384_100000745022 [0,1,0,1,0,0|1,0,0]=3 18740 B10R1.138 CCCC(C)SCC1CC1 62a_100000756562_100000766640 [0,1,0,1,0,0|2,0,0]=4 18741 B10R1.138 CCCC(C)SCC1CC1 62a_100000766640_100000742324 [0,1,0,1,0,0|2,0,0]=4 18742 B10R1.138 CCCC(C)SCC1CO1 62a_100000766640_102125554688 [0,1,0,1,0,0|1,0,0]=3 18743 B10R1.138 CCCC(C)SCC1CO1 62a_102125554688_100000766640 [0,1,0,1,0,0|1,0,0]=3 18744 B10R1.138 CCCC(C)SCC1CS1 62a_100000031435_100000766640 [0,1,0,1,0,0|1,1,0]=4 18745 B10R1.138 CCCC(C)SCC1CS1 62a_100000766640_100000031435 [0,1,0,1,0,0|1,1,0]=4 18746 B10R1.138 CCCC(C)SC[C@@H]1CO1 62a_100000745022_100000766640 [0,1,0,1,0,0|1,0,0]=3 18747 B10R1.138 CCCC(C)SC[C@@H]1CO1 62a_100000766640_100000745022 [0,1,0,1,0,0|1,0,0]=3 18748 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 18749 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 18750 B10R1.138 CCCN(C)CCC1CO1 2230a_100000747261_100000732470 [0,1,0,1,0,0|1,0,0]=3 18751 B10R1.138 CCCN(C)CCC1CO1 269982a_100000747261_100000732470 [0,1,0,1,0,0|1,0,0]=3 18752 B10R1.138 CCC[C@H](N)COC1CC1 34a_100000732646_100000211595 [0,1,0,1,0,0|2,0,0]=4 18753 B10R1.138 CN(CCO)CCC1CC1 2230a_100000210263_100000694398 [0,1,0,1,0,0|1,0,0]=3 18754 B10R1.138 CN(CCO)CCC1CC1 269982a_100000210263_100000694398 [0,1,0,1,0,0|1,0,0]=3 18755 B10R1.138 CN(CCO)CCC1CO1 2230a_100000210263_100000732470 [0,1,0,1,0,0|2,0,0]=4 18756 B10R1.138 CN(CCO)CCC1CO1 269982a_100000210263_100000732470 [0,1,0,1,0,0|2,0,0]=4 18757 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|1,0,1]=4 18758 B10R1.138 COCC(C)OC[C@@H]1CO1 34a_100000757423_100000765312 [0,1,0,1,0,0|2,0,0]=4 18759 B10R1.138 COCC(C)SCC1CO1 62a_100000765312_102125554688 [0,1,0,1,0,0|2,0,0]=4 18760 B10R1.138 COCC(C)SCC1CO1 62a_102125554688_100000765312 [0,1,0,1,0,0|2,0,0]=4 18761 B10R1.138 COCC(C)SC[C@@H]1CO1 62a_100000745022_100000765312 [0,1,0,1,0,0|2,0,0]=4 18762 B10R1.138 COCC(C)SC[C@@H]1CO1 62a_100000765312_100000745022 [0,1,0,1,0,0|2,0,0]=4 18763 B10R1.138 COC[C@@H](C)NCC1CO1 2230a_100000764878_100011216344 [0,1,0,1,0,0|2,0,0]=4 18764 B10R1.138 COC[C@@H](C)OCC1CO1 34a_100011934205_102125554688 [0,1,0,1,0,0|2,0,0]=4 18765 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,1,0,1,0,0|1,0,1]=4 18766 B10R1.138 C[C@H](CCO)NCC1CC1 2230a_100000706166_100000742324 [0,1,0,1,0,0|1,0,0]=3 18767 B10R1.138 C[C@H](CCO)NCC1CC1 269862a_100000706166_100000741477 [0,1,0,1,0,0|1,0,0]=3 18768 B10R1.138 C[C@H](CCO)NCC1CC1 34a_100000706166_100000742324 [0,1,0,1,0,0|1,0,0]=3 18769 B10R1.138 C[C@H](CCO)NCC1CO1 2230a_100000706166_100011216344 [0,1,0,1,0,0|2,0,0]=4 18770 B10R1.138 C[C@H](CCO)NCC1CO1 34a_100000706166_102125554688 [0,1,0,1,0,0|2,0,0]=4 18771 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|1,0,1]=4 18772 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|0,0,1]=3 18773 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|0,0,1]=3 18774 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,1,0,1,0,0|1,0,1]=4 18775 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,1,0,1,0,0|1,0,1]=4 18776 B10R1.139 CC(CCO)N1CCC1C 269982a_100000755817_100009893172 [0,1,0,1,0,0|1,0,0]=3 18777 B10R1.139 CC(CCO)N1CCC1C 34a_100000755817_100009893172 [0,1,0,1,0,0|1,0,0]=3 18778 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,1,0,1,0,0|1,0,1]=4 18779 B10R1.139 CCCC(C)N1CCC1C 269982a_100000755817_100000766640 [0,1,0,1,0,0|2,0,0]=4 18780 B10R1.139 CCCC(C)N1CCC1C 34a_100000755817_100000766640 [0,1,0,1,0,0|2,0,0]=4 18781 B10R1.186 CC(NCCCF)C1CC1 2230a_100000700016_100011934791 [0,1,0,1,0,0|2,0,0]=4 18782 B10R1.186 CC(NCCCF)C1CC1 269862a_100015189416_100000210639 [0,1,0,1,0,0|2,0,0]=4 18783 B10R1.186 CC(NCCCF)C1CC1 34a_100000700016_100011934791 [0,1,0,1,0,0|2,0,0]=4 18784 B10R1.186 CC(NCCCF)C1CO1 270004a_100015189416_100000031964 [0,1,0,1,0,0|2,0,0]=4 18785 B10R1.186 CC(NCCCO)C1CC1 2230a_100000700016_100000230001 [0,1,0,1,0,0|1,0,0]=3 18786 B10R1.186 CC(NCCCO)C1CC1 269862a_100000182051_100000210639 [0,1,0,1,0,0|1,0,0]=3 18787 B10R1.186 CC(NCCCO)C1CC1 34a_100000700016_100000230001 [0,1,0,1,0,0|1,0,0]=3 18788 B10R1.186 CC(NCCCO)C1CO1 270004a_100000182051_100000031964 [0,1,0,1,0,0|2,0,0]=4 18789 B10R1.186 CC(OCCCF)C1CC1 34a_100000744524_100011934791 [0,1,0,1,0,0|2,0,0]=4 18790 B10R1.186 CC(OCCCF)C1CC1 7a_100000744524_100011934791 [0,1,0,1,0,0|2,0,0]=4 18791 B10R1.186 CC(OCCCO)C1CC1 34a_100000744524_100000230001 [0,1,0,1,0,0|1,0,0]=3 18792 B10R1.186 CC(OCCCO)C1CC1 7a_100000744524_100011215043 [0,1,0,1,0,0|1,0,0]=3 18793 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|1,0,1]=4 18794 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,1]=3 18795 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [0,1,0,1,0,0|2,0,0]=4 18796 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [0,1,0,1,0,0|2,0,0]=4 18797 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [0,1,0,1,0,0|2,0,0]=4 18798 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18799 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18800 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18801 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18802 B10R1.186 CCCCNC(C)C1CC1 2230a_100000700016_100000210211 [0,1,0,1,0,0|2,0,0]=4 18803 B10R1.186 CCCCNC(C)C1CC1 269862a_100000102301_100000210639 [0,1,0,1,0,0|2,0,0]=4 18804 B10R1.186 CCCCNC(C)C1CC1 34a_100000700016_100000210210 [0,1,0,1,0,0|2,0,0]=4 18805 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [0,1,0,1,0,0|1,0,0]=3 18806 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,1,0,1,0,0|2,0,0]=4 18807 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,1,0,1,0,0|2,0,0]=4 18808 B10R1.186 CCCNCC(O)C1CC1 2230a_100000751198_100000210303 [0,1,0,1,0,0|2,0,0]=4 18809 B10R1.186 CCCNCC(O)C1CC1 34a_100000751198_100000210303 [0,1,0,1,0,0|2,0,0]=4 18810 B10R1.186 CCCOC[C@H](N)C1CC1 34a_100020623730_100000210303 [0,1,0,1,0,0|2,0,0]=4 18811 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|1,0,1]=4 18812 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,1]=4 18813 B10R1.186 CN(CCCCF)C1CC1 2230a_100000226674_100000729493 [0,1,0,1,0,0|2,0,0]=4 18814 B10R1.186 CN(CCCCF)C1CC1 269982a_100000226674_100000729493 [0,1,0,1,0,0|2,0,0]=4 18815 B10R1.186 CN(CCCCO)C1CC1 2230a_100000226674_100000210776 [0,1,0,1,0,0|1,0,0]=3 18816 B10R1.186 CN(CCCCO)C1CC1 269982a_100000226674_100000210776 [0,1,0,1,0,0|1,0,0]=3 18817 B10R1.186 CN(CCCCO)C1CC1 269982a_100000717598_100000211595 [0,1,0,1,0,0|1,0,0]=3 18818 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,1]=4 18819 B10R1.186 COCCNC(C)C1CO1 270004a_100000209980_100000031964 [0,1,0,1,0,0|2,0,0]=4 18820 B10R1.186 CSCCNC(C)C1CO1 270004a_100020590264_100000031964 [0,1,0,1,0,0|2,0,0]=4 18821 B10R1.186 N[C@@H](COCCF)C1CC1 34a_100020623730_100011217306 [0,1,0,1,0,0|2,0,0]=4 18822 B10R1.186 N[C@@H](COCCO)C1CC1 34a_100020623730_100000211926 [0,1,0,1,0,0|1,0,0]=3 18823 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|1,0,1]=4 18824 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|1,0,1]=4 18825 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|0,0,1]=3 18826 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,1]=4 18827 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [0,1,0,1,0,0|1,0,1]=4 18828 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [0,1,0,1,0,0|1,0,1]=4 18829 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [0,1,0,1,0,0|1,0,1]=4 18830 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [0,1,0,1,0,0|1,0,1]=4 18831 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [0,1,0,1,0,0|1,0,1]=4 18832 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,1,0,1,0,0|1,0,1]=4 18833 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,1,0,1,0,0|1,0,1]=4 18834 B10R1.186 OC(CNCCF)C1CC1 2230a_100000751198_100011217306 [0,1,0,1,0,0|2,0,0]=4 18835 B10R1.186 OC(CNCCF)C1CC1 34a_100000751198_100011217306 [0,1,0,1,0,0|2,0,0]=4 18836 B10R1.186 OCCNCC(O)C1CC1 2230a_100000751198_100000211926 [0,1,0,1,0,0|1,0,0]=3 18837 B10R1.186 OCCNCC(O)C1CC1 34a_100000751198_100000211926 [0,1,0,1,0,0|1,0,0]=3 18838 B10R1.197 CC1CCCN(CC1)CF 269982a_100025706717_100015361967 [0,1,0,1,0,0|2,0,0]=4 18839 B10R1.197 CC1CCCN(CC1)CF 34a_100025706717_100015361967 [0,1,0,1,0,0|2,0,0]=4 18840 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 18841 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 18842 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 18843 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 18844 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 18845 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 18846 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,1,0,1,0,0|2,0,0]=4 18847 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,1,0,1,0,0|2,0,0]=4 18848 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,1,0,1,0,0|2,0,0]=4 18849 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,1,0,1,0,0|2,0,0]=4 18850 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,1,0,1,0,0|2,0,0]=4 18851 B10R1.197 OC1CCCN(CC1)CF 269982a_100015186869_100015361967 [0,1,0,1,0,0|2,0,0]=4 18852 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [0,1,0,1,0,0|2,0,0]=4 18853 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [0,1,0,1,0,0|2,0,0]=4 18854 B10R1.245 CC1CCCC(N1CF)C 269982a_100000210447_100015361967 [0,1,0,1,0,0|2,0,0]=4 18855 B10R1.245 CC1CCCC(N1CF)C 34a_100000210447_100015361967 [0,1,0,1,0,0|2,0,0]=4 18856 B10R1.245 CCN1C(CCCC1C)C 2230a_100000210447_100000210202 [0,1,0,1,0,0|2,0,0]=4 18857 B10R1.245 CCN1C(CCCC1C)C 269982a_100000210447_100000204670 [0,1,0,1,0,0|2,0,0]=4 18858 B10R1.245 CCN1C(CCCC1C)C 34a_100000210447_100000210202 [0,1,0,1,0,0|2,0,0]=4 18859 B10R1.245 CNC1C(CCCC1C)C 269862a_106832991636_100000211995 [0,1,0,1,0,0|2,0,0]=4 18860 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [0,1,0,1,0,0|2,0,0]=4 18861 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [0,1,0,1,0,0|2,0,0]=4 18862 B10R1.376 CC1(CCC1)CNCCF 2230a_100000706607_100011217306 [0,1,0,1,0,0|2,0,0]=4 18863 B10R1.376 CC1(CCC1)CNCCF 34a_100000724931_100000726658 [0,1,0,1,0,0|2,0,0]=4 18864 B10R1.376 CC1(CCC1)CNCCO 2230a_100000706607_100000211926 [0,1,0,1,0,0|1,0,0]=3 18865 B10R1.376 CC1(CCC1)CNCCO 2230a_100016997473_100000726658 [0,1,0,1,0,0|1,0,0]=3 18866 B10R1.376 CC1(CCC1)CNCCO 34a_100016990907_100000726658 [0,1,0,1,0,0|1,0,0]=3 18867 B10R1.376 CC1(CCC1)COCCBr 34a_100000211926_100000726658 [0,1,0,1,0,0|2,0,0]=4 18868 B10R1.376 CC1(CCC1)COCCN 34a_100000210304_100000726658 [0,1,0,1,0,0|2,0,0]=4 18869 B10R1.376 CC1(CCC1)CSCCF 62a_100000726658_100011217306 [0,1,0,1,0,0|2,0,0]=4 18870 B10R1.376 CC1(CCC1)CSCCF 62a_100011217306_100000726658 [0,1,0,1,0,0|2,0,0]=4 18871 B10R1.376 CC1(CCC1)CSCCO 62a_100000211926_100000726658 [0,1,0,1,0,0|1,0,0]=3 18872 B10R1.376 CC1(CCC1)CSCCO 62a_100000726658_100000211926 [0,1,0,1,0,0|1,0,0]=3 18873 B10R1.376 CC1(CCC1)NCCCF 2230a_100000692455_100011934791 [0,1,0,1,0,0|2,0,0]=4 18874 B10R1.376 CC1(CCC1)NCCCF 34a_100000692455_100011934791 [0,1,0,1,0,0|2,0,0]=4 18875 B10R1.376 CC1(CCC1)NCCCO 2230a_100000692455_100000230001 [0,1,0,1,0,0|1,0,0]=3 18876 B10R1.376 CC1(CCC1)NCCCO 34a_100000692455_100000230001 [0,1,0,1,0,0|1,0,0]=3 18877 B10R1.376 CC1(CCC1)OCCCF 34a_100000759064_100011934791 [0,1,0,1,0,0|2,0,0]=4 18878 B10R1.376 CC1(CCC1)OCCCF 7a_100000759064_100011934791 [0,1,0,1,0,0|2,0,0]=4 18879 B10R1.376 CC1(CCC1)OCCCO 34a_100000759064_100000230001 [0,1,0,1,0,0|1,0,0]=3 18880 B10R1.376 CC1(CCC1)OCCCO 7a_100000759064_100011215043 [0,1,0,1,0,0|1,0,0]=3 18881 B10R1.376 CC1(COC1)CNCCO 2230a_100016997473_100000066812 [0,1,0,1,0,0|2,0,0]=4 18882 B10R1.376 CC1(COC1)CNCCO 2230a_100020631278_100000211926 [0,1,0,1,0,0|2,0,0]=4 18883 B10R1.376 CC1(COC1)CNCCO 269862a_100000210304_100000050806 [0,1,0,1,0,0|2,0,0]=4 18884 B10R1.376 CC1(COC1)CNCCO 34a_100016990907_100009817586 [0,1,0,1,0,0|2,0,0]=4 18885 B10R1.376 CC1(COC1)CSCCO 62a_100000211926_100009817586 [0,1,0,1,0,0|2,0,0]=4 18886 B10R1.376 CC1(COC1)CSCCO 62a_100009817586_100000211926 [0,1,0,1,0,0|2,0,0]=4 18887 B10R1.376 CC1(COC1)NCCCO 2230a_100000732644_100000230001 [0,1,0,1,0,0|2,0,0]=4 18888 B10R1.376 CC1(CSC1)COCCO 34a_100000732658_100000211926 [0,1,0,1,0,0|2,0,0]=4 18889 B10R1.376 CC1(CSC1)COCCO 7a_100000732658_100000211926 [0,1,0,1,0,0|2,0,0]=4 18890 B10R1.376 CC1(CSC1)OCCCO 7a_100016018533_100011215043 [0,1,0,1,0,0|2,0,0]=4 18891 B10R1.376 CCCCNC1(CCC1)C 2230a_100000692455_100000210211 [0,1,0,1,0,0|2,0,0]=4 18892 B10R1.376 CCCCNC1(CCC1)C 34a_100000692455_100000210210 [0,1,0,1,0,0|2,0,0]=4 18893 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [0,1,0,1,0,0|2,0,0]=4 18894 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [0,1,0,1,0,0|2,0,0]=4 18895 B10R1.376 CCCNCC1(CCC1)C 2230a_100000706607_100000210303 [0,1,0,1,0,0|2,0,0]=4 18896 B10R1.376 CCCNCC1(CCC1)O 2230a_100000752638_100000210303 [0,1,0,1,0,0|2,0,0]=4 18897 B10R1.376 CCCOCC1(CCC1)C 34a_100000210258_100000726658 [0,1,0,1,0,0|2,0,0]=4 18898 B10R1.376 CCCSCC1(CCC1)C 62a_100000210303_100000726658 [0,1,0,1,0,0|2,0,0]=4 18899 B10R1.376 CCCSCC1(CCC1)C 62a_100000726658_100000210303 [0,1,0,1,0,0|2,0,0]=4 18900 B10R1.376 OC1(CCC1)CNCCF 2230a_100000752638_100011217306 [0,1,0,1,0,0|2,0,0]=4 18901 B10R1.376 OCCNCC1(CCC1)O 2230a_100000752638_100000211926 [0,1,0,1,0,0|1,0,0]=3 18902 B10R1.376 OCCNCC1(COC1)O 2230a_100010264505_100000211926 [0,1,0,1,0,0|2,0,0]=4 18903 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [0,1,0,1,0,0|2,0,0]=4 18904 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [0,1,0,1,0,0|2,0,0]=4 18905 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,1,0,0|2,0,0]=4 18906 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,1,0,0|2,0,0]=4 18907 B10R1.377 CC1(CCCCC1)NCF 34a_100000741114_100015361967 [0,1,0,1,0,0|2,0,0]=4 18908 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [0,1,0,1,0,0|2,0,0]=4 18909 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [0,1,0,1,0,0|2,0,0]=4 18910 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [0,1,0,1,0,0|2,0,0]=4 18911 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [0,1,0,1,0,0|2,0,0]=4 18912 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [0,1,0,1,0,0|2,0,0]=4 18913 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,1,0,1,0,0|2,0,0]=4 18914 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [0,1,0,1,0,0|2,0,0]=4 18915 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [0,1,0,1,0,0|2,0,0]=4 18916 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [0,1,0,1,0,0|2,0,0]=4 18917 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [0,1,0,1,0,0|2,0,0]=4 18918 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [0,1,0,1,0,0|2,0,0]=4 18919 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,1,0,0|2,0,0]=4 18920 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,1,0,0|2,0,0]=4 18921 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,1,0,0|2,0,0]=4 18922 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,1,0,0|2,0,0]=4 18923 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,1,0,0|2,0,0]=4 18924 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [0,1,0,1,0,0|2,0,0]=4 18925 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [0,1,0,1,0,0|2,0,0]=4 18926 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,1,0,0|2,0,0]=4 18927 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,1,0,0|2,0,0]=4 18928 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,1,0,0|2,0,0]=4 18929 B10R1.527 CCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210202 [0,1,0,1,0,0|2,0,0]=4 18930 B10R1.4 C#CCN1CCCCC1C 2230a_100000211376_100000038162 [0,1,0,1,0,0|1,0,1]=4 18931 B10R1.4 C#CCN1CCCCC1C 34a_100000211376_100000184674 [0,1,0,1,0,0|1,0,1]=4 18932 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,1,0,1,0,0|1,0,1]=4 18933 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,1,0,1,0,0|1,0,1]=4 18934 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,1,0,1,0,0|1,0,1]=4 18935 B10R1.4 CC1CC=CCC1CO[13CH3] 34a_100000211322_200025704644 [0,1,0,1,0,0|0,0,2]=4 18936 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,1,0,1,0,0|1,0,0]=3 18937 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,1,0,1,0,0|1,0,0]=3 18938 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,1,0,1,0,0|1,0,0]=3 18939 B10R1.4 CC1CCCCN1CC#N 2230a_100000211376_100011215382 [0,1,0,1,0,0|1,0,1]=4 18940 B10R1.4 CC1CCCCN1CC#N 269982a_100000211376_100011214920 [0,1,0,1,0,0|1,0,1]=4 18941 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,1,0,1,0,0|0,0,2]=4 18942 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,1,0,1,0,0|0,0,2]=4 18943 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,1,0,1,0,0|0,0,2]=4 18944 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [0,1,0,1,0,0|1,0,0]=3 18945 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [0,1,0,1,0,0|1,0,0]=3 18946 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [0,1,0,1,0,0|1,0,0]=3 18947 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,1,0,1,0,0|0,0,0]=2 18948 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,1,0,1,0,0|0,0,0]=2 18949 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,1,0,1,0,0|0,0,0]=2 18950 B10R1.4 CC1CCNCC1OCF 34a_100000696640_100015361967 [0,1,0,1,0,0|2,0,0]=4 18951 B10R1.4 CC1CNCCC1OCF 34a_100011998114_100015361967 [0,1,0,1,0,0|2,0,0]=4 18952 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,1,0,1,0,0|1,0,0]=3 18953 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,1,0,1,0,0|1,0,0]=3 18954 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,1,0,1,0,0|1,0,0]=3 18955 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,1,0,1,0,0|1,0,0]=3 18956 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,1,0,1,0,0|1,0,0]=3 18957 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,1,0,1,0,0|1,0,0]=3 18958 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 18959 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 18960 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [0,1,0,1,0,0|2,0,0]=4 18961 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 18962 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 18963 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [0,1,0,1,0,0|2,0,0]=4 18964 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,1,0,1,0,0|1,0,0]=3 18965 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,1,0,1,0,0|1,0,0]=3 18966 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,1,0,1,0,0|1,0,0]=3 18967 B10R1.4 CCCN1CCOC[C@@H]1C 2230a_100009815349_100000210303 [0,1,0,1,0,0|2,0,0]=4 18968 B10R1.4 CCCN1CCOC[C@@H]1C 269982a_100009815349_100000210303 [0,1,0,1,0,0|2,0,0]=4 18969 B10R1.4 CCCN1CCOC[C@@H]1C 34a_100009815349_100000210303 [0,1,0,1,0,0|2,0,0]=4 18970 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,1,0,1,0,0|1,0,0]=3 18971 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,1,0,1,0,0|1,0,0]=3 18972 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,1,0,1,0,0|1,0,0]=3 18973 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,1,0,1,0,0|1,0,0]=3 18974 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [0,1,0,1,0,0|2,0,0]=4 18975 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [0,1,0,1,0,0|2,0,0]=4 18976 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,1,0,1,0,0|1,0,0]=3 18977 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,1,0,1,0,0|1,0,0]=3 18978 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [0,1,0,1,0,0|1,0,0]=3 18979 B10R1.4 CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210202 [0,1,0,1,0,0|2,0,0]=4 18980 B10R1.4 CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210202 [0,1,0,1,0,0|2,0,0]=4 18981 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [0,1,0,1,0,0|1,0,0]=3 18982 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|0,0,2]=4 18983 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|0,0,2]=4 18984 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,1,0,1,0,0|1,0,0]=3 18985 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,1,0,1,0,0|1,0,0]=3 18986 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,1,0,1,0,0|1,0,0]=3 18987 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,1,0,1,0,0|1,0,0]=3 18988 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,1,0,1,0,0|1,0,0]=3 18989 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,1,0,1,0,0|0,0,0]=2 18990 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [0,1,0,1,0,0|2,0,0]=4 18991 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,1,0,1,0,0|2,0,0]=4 18992 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,1,0,1,0,0|1,0,0]=3 18993 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,1,0,1,0,0|1,0,0]=3 18994 B10R1.4 CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210202 [0,1,0,1,0,0|2,0,0]=4 18995 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,1,0,1,0,0|1,0,0]=3 18996 B10R1.4 CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210202 [0,1,0,1,0,0|2,0,0]=4 18997 B10R1.4 CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210202 [0,1,0,1,0,0|2,0,0]=4 18998 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|0,0,2]=4 18999 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|0,0,2]=4 19000 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,1,0,1,0,0|1,0,0]=3 19001 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,1,0,1,0,0|1,0,0]=3 19002 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,1,0,1,0,0|0,0,0]=2 19003 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,1,0,1,0,0|0,0,0]=2 19004 B10R1.4 CN1CCCCC1CC#N 2230a_100000133382_200000210301 [0,1,0,1,0,0|1,0,1]=4 19005 B10R1.4 CN1CCCCC1CC#N 34a_100000133382_200000210301 [0,1,0,1,0,0|1,0,1]=4 19006 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,1,0,1,0,0|0,0,0]=2 19007 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,1,0,1,0,0|0,0,0]=2 19008 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,1,0,1,0,0|0,0,0]=2 19009 B10R1.4 CN1CCCCC1CN[13CH3] 34a_100011228421_200025704644 [0,1,0,1,0,0|2,0,0]=4 19010 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [0,1,0,1,0,0|1,0,0]=3 19011 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [0,1,0,1,0,0|1,1,0]=4 19012 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [0,1,0,1,0,0|1,1,0]=4 19013 B10R1.4 CN1CCOCC1CO[13CH3] 34a_100013547906_200025704644 [0,1,0,1,0,0|2,0,0]=4 19014 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,1,0,1,0,0|0,0,0]=2 19015 B10R1.4 CNCC1CCCCN1C 34a_100011228421_200000210301 [0,1,0,1,0,0|2,0,0]=4 19016 B10R1.4 CNCC1CCCCN1C 34a_100102657272_100015186950 [0,1,0,1,0,0|2,0,0]=4 19017 B10R1.4 CNCC1CCCCN1C 7a_106832991635_100015185383 [0,1,0,1,0,0|2,0,0]=4 19018 B10R1.4 COCC1CC=CCC1C 34a_100000211322_200000210301 [0,1,0,1,0,0|0,0,2]=4 19019 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|0,0,2]=4 19020 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|0,0,2]=4 19021 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [0,1,0,1,0,0|1,0,0]=3 19022 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [0,1,0,1,0,0|1,0,0]=3 19023 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [0,1,0,1,0,0|1,0,0]=3 19024 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [0,1,0,1,0,0|1,0,0]=3 19025 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [0,1,0,1,0,0|1,0,0]=3 19026 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [0,1,0,1,0,0|1,0,0]=3 19027 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [0,1,0,1,0,0|1,0,0]=3 19028 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [0,1,0,1,0,0|1,0,0]=3 19029 B10R1.4 COCC1COCCC1N 34a_214813039666_200000210301 [0,1,0,1,0,0|2,0,0]=4 19030 B10R1.4 COCC1COCCN1C 34a_100013547906_200000210301 [0,1,0,1,0,0|2,0,0]=4 19031 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [0,1,0,1,0,0|1,0,0]=3 19032 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [0,1,0,1,0,0|1,0,0]=3 19033 B10R1.4 COCN1CCOC[C@@H]1C 2230a_100009815349_100000766300 [0,1,0,1,0,0|2,0,0]=4 19034 B10R1.4 COCN1CCOC[C@@H]1C 269982a_100009815349_100000766300 [0,1,0,1,0,0|2,0,0]=4 19035 B10R1.4 COC[C@H]1COCCN1C 2230a_100016989928_200000210301 [0,1,0,1,0,0|2,0,0]=4 19036 B10R1.4 COC[C@H]1COCCN1C 269982a_100016989928_200000210301 [0,1,0,1,0,0|2,0,0]=4 19037 B10R1.4 COC[C@H]1COCCN1C 34a_100016989928_200000210301 [0,1,0,1,0,0|2,0,0]=4 19038 B10R1.4 COC[C@H]1COCCN1[13CH3] 2230a_100016989928_200025704644 [0,1,0,1,0,0|2,0,0]=4 19039 B10R1.4 COC[C@H]1COCCN1[13CH3] 269982a_100016989928_200025704644 [0,1,0,1,0,0|2,0,0]=4 19040 B10R1.4 COC[C@H]1COCCN1[13CH3] 34a_100016989928_200025704644 [0,1,0,1,0,0|2,0,0]=4 19041 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [0,1,0,1,0,0|1,1,0]=4 19042 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [0,1,0,1,0,0|1,1,0]=4 19043 B10R1.4 CSCN1CCCCC1C 2230a_100000211376_100011218213 [0,1,0,1,0,0|1,1,0]=4 19044 B10R1.4 CSCN1CCCCC1C 269982a_100000211376_100011218213 [0,1,0,1,0,0|1,1,0]=4 19045 B10R1.4 CSCN1CCCCC1C 34a_100000211376_100011218213 [0,1,0,1,0,0|1,1,0]=4 19046 B10R1.4 C[C@H]1COCCN1CCF 2230a_100009815349_100011217306 [0,1,0,1,0,0|2,0,0]=4 19047 B10R1.4 C[C@H]1COCCN1CCF 269982a_100009815349_100011217306 [0,1,0,1,0,0|2,0,0]=4 19048 B10R1.4 C[C@H]1COCCN1CCF 34a_100009815349_100011217306 [0,1,0,1,0,0|2,0,0]=4 19049 B10R1.4 C[C@H]1COCCN1CCO 2230a_100009815349_100000211926 [0,1,0,1,0,0|1,0,0]=3 19050 B10R1.4 C[C@H]1COCCN1CCO 269982a_100009815349_100000211926 [0,1,0,1,0,0|1,0,0]=3 19051 B10R1.4 C[C@H]1COCCN1CCO 34a_100009815349_100000211926 [0,1,0,1,0,0|1,0,0]=3 19052 B10R1.4 FCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015361967 [0,1,0,1,0,0|2,0,0]=4 19053 B10R1.4 FCOC1CCCCC1Cl 34a_100000038908_100015361967 [0,1,0,1,0,0|2,0,0]=4 19054 B10R1.4 FCOC1CCCCC1Cl 7a_100000038908_100015361967 [0,1,0,1,0,0|2,0,0]=4 19055 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015361967 [0,1,0,1,0,0|2,0,0]=4 19056 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015361967 [0,1,0,1,0,0|2,0,0]=4 19057 B10R1.4 FCSC1CCCCC1F 62a_100015361967_100015423560 [0,1,0,1,0,0|2,0,0]=4 19058 B10R1.4 FCSC1CCCCC1F 62a_100015423560_100015361967 [0,1,0,1,0,0|2,0,0]=4 19059 B10R1.4 N[C@@H]1CCCC[C@@H]1OCF 34a_100015191688_100015361967 [0,1,0,1,0,0|2,0,0]=4 19060 B10R1.4 OC1CCCCC1SCF 62a_100000038908_100015361967 [0,1,0,1,0,0|1,0,0]=3 19061 B10R1.4 OC1CCCCC1SCF 62a_100015361967_100000038908 [0,1,0,1,0,0|1,0,0]=3 19062 B10R1.4 [13CH3]N1CCCCC1CC#N 2230a_100000133382_200025704644 [0,1,0,1,0,0|1,0,1]=4 19063 B10R1.4 [13CH3]N1CCCCC1CC#N 34a_100000133382_200025704644 [0,1,0,1,0,0|1,0,1]=4 19064 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,1,0,1,0,0|0,0,0]=2 19065 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,1,0,1,0,0|0,0,0]=2 19066 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,1,0,1,0,0|0,0,0]=2 19067 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,1,0,1,0,0|0,0,0]=2 19068 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|0,0,2]=4 19069 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|0,0,2]=4 19070 B10R1.4 [13CH3]OCC1COCCC1N 34a_214813039666_200025704644 [0,1,0,1,0,0|2,0,0]=4 19071 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,1,0,1,0,0|1,0,0]=3 19072 B10R1.17 BrCCOC1CCCOC1 34a_100000211926_100000693364 [0,1,0,1,0,0|2,0,0]=4 19073 B10R1.17 BrCCOC1CCSCC1 34a_100000211926_100000069128 [0,1,0,1,0,0|2,0,0]=4 19074 B10R1.17 C#CCNC1CCCCC1 2230a_100000182618_100000038162 [0,1,0,1,0,0|1,0,1]=4 19075 B10R1.17 C#CCNC1CCCCC1 34a_100000182618_100000184674 [0,1,0,1,0,0|1,0,1]=4 19076 B10R1.17 C#CCNC1CCCCC1 34a_100000212058_100000210327 [0,1,0,1,0,0|1,0,1]=4 19077 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [0,1,0,1,0,0|1,0,1]=4 19078 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [0,1,0,1,0,0|1,0,1]=4 19079 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [0,1,0,1,0,0|1,0,1]=4 19080 B10R1.17 C#CCOC1CCCCO1 34a_100000033831_100000184674 [0,1,0,1,0,0|0,0,2]=4 19081 B10R1.17 C#CCSC1CCCCC1 62a_100000038162_100000210327 [0,1,0,1,0,0|1,0,1]=4 19082 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,1,0,1,0,0|1,0,1]=4 19083 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,1,0,1,0,0|1,0,1]=4 19084 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,1,0,1,0,0|1,0,1]=4 19085 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,1,0,1,0,0|1,0,1]=4 19086 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,1,0,1,0,0|1,0,1]=4 19087 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,1,0,1,0,0|1,0,1]=4 19088 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,1,0,1,0,0|0,0,2]=4 19089 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,1,0,1,0,0|1,0,1]=4 19090 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,1,0,1,0,0|1,0,1]=4 19091 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [0,1,0,1,0,0|1,0,0]=3 19092 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [0,1,0,1,0,0|1,0,0]=3 19093 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [0,1,0,1,0,0|1,0,0]=3 19094 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [0,1,0,1,0,0|2,0,0]=4 19095 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [0,1,0,1,0,0|2,0,0]=4 19096 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [0,1,0,1,0,0|2,0,0]=4 19097 B10R1.17 CCCCN1CCSCC1 2230a_100000737611_100000210211 [0,1,0,1,0,0|2,0,0]=4 19098 B10R1.17 CCCCN1CCSCC1 269982a_100000737611_100000210211 [0,1,0,1,0,0|2,0,0]=4 19099 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,1,0,1,0,0|1,0,0]=3 19100 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,1,0,1,0,0|1,0,0]=3 19101 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,1,0,1,0,0|1,0,0]=3 19102 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,1,0,1,0,0|1,0,0]=3 19103 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,1,0,1,0,0|1,0,0]=3 19104 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,1,0,1,0,0|1,0,0]=3 19105 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [0,1,0,1,0,0|1,1,0]=4 19106 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [0,1,0,1,0,0|2,0,0]=4 19107 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [0,1,0,1,0,0|2,0,0]=4 19108 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [0,1,0,1,0,0|2,0,0]=4 19109 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [0,1,0,1,0,0|2,0,0]=4 19110 B10R1.17 CCCNC1CCSCC1 2230a_100000748639_100000210303 [0,1,0,1,0,0|2,0,0]=4 19111 B10R1.17 CCCNC1CCSCC1 270004a_100020643023_100000203788 [0,1,0,1,0,0|2,0,0]=4 19112 B10R1.17 CCCNC1CCSCC1 34a_100000748639_100000210303 [0,1,0,1,0,0|2,0,0]=4 19113 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,1,0,1,0,0|1,0,1]=4 19114 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,1,0,1,0,0|1,0,0]=3 19115 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,1,0,1,0,0|1,0,0]=3 19116 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,1,0,1,0,0|1,0,0]=3 19117 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,1,0,1,0,0|0,0,0]=2 19118 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,1,0,1,0,0|1,0,0]=3 19119 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,1,0,1,0,0|1,0,0]=3 19120 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,1,0,1,0,0|1,1,0]=4 19121 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [0,1,0,1,0,0|2,0,0]=4 19122 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [0,1,0,1,0,0|2,0,0]=4 19123 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [0,1,0,1,0,0|2,0,0]=4 19124 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [0,1,0,1,0,0|2,0,0]=4 19125 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,1,0,1,0,0|1,0,1]=4 19126 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,1,0,1,0,0|1,0,1]=4 19127 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,1,0,1,0,0|1,0,0]=3 19128 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,1,0,1,0,0|1,0,0]=3 19129 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [0,1,0,1,0,0|1,0,0]=3 19130 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [0,1,0,1,0,0|2,0,0]=4 19131 B10R1.17 CCCSC1CCSCC1 62a_100000210303_100000069128 [0,1,0,1,0,0|2,0,0]=4 19132 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,1,0,1,0,0|1,0,0]=3 19133 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,1,0,1,0,0|1,0,0]=3 19134 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,1,0,1,0,0|1,0,0]=3 19135 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,1,0,1,0,0|1,0,0]=3 19136 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,1,0,1,0,0|0,0,0]=2 19137 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,1,0,1,0,0|0,0,0]=2 19138 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,1,0,1,0,0|0,0,0]=2 19139 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,1,0,1,0,0|1,0,0]=3 19140 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,1,0,1,0,0|1,0,0]=3 19141 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,1,0,1,0,0|1,0,0]=3 19142 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [0,1,0,1,0,0|2,0,0]=4 19143 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [0,1,0,1,0,0|2,0,0]=4 19144 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [0,1,0,1,0,0|2,0,0]=4 19145 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [0,1,0,1,0,0|2,0,0]=4 19146 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [0,1,0,1,0,0|2,0,0]=4 19147 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [0,1,0,1,0,0|2,0,0]=4 19148 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [0,1,0,1,0,0|2,0,0]=4 19149 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [0,1,0,1,0,0|2,0,0]=4 19150 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,1,0,1,0,0|1,0,0]=3 19151 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,1,0,1,0,0|1,0,0]=3 19152 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,1,0,1,0,0|0,0,2]=4 19153 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,1,0,1,0,0|1,0,0]=3 19154 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,1,0,1,0,0|1,0,0]=3 19155 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,1,0,1,0,0|1,0,0]=3 19156 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,1,0,1,0,0|1,0,0]=3 19157 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,1,0,1,0,0|0,0,0]=2 19158 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,1,0,1,0,0|0,0,0]=2 19159 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,1,0,1,0,0|0,0,0]=2 19160 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,1,0,1,0,0|2,0,0]=4 19161 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,1,0,1,0,0|1,0,0]=3 19162 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,1,0,1,0,0|1,0,0]=3 19163 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [0,1,0,1,0,0|2,0,0]=4 19164 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [0,1,0,1,0,0|2,0,0]=4 19165 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [0,1,0,1,0,0|2,0,0]=4 19166 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [0,1,0,1,0,0|2,0,0]=4 19167 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [0,1,0,1,0,0|2,0,0]=4 19168 B10R1.17 CCOCN1CCCOC1 269982a_100000131196_100000739092 [0,1,0,1,0,0|2,0,0]=4 19169 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [0,1,0,1,0,0|1,0,0]=3 19170 B10R1.17 CCOC[C@@H]1COCCN1 34a_100000717676_100000210202 [0,1,0,1,0,0|2,0,0]=4 19171 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,1,0,1,0,0|1,0,0]=3 19172 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,1,0,1,0,0|1,0,0]=3 19173 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,1,0,1,0,0|1,0,0]=3 19174 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,1,0,1,0,0|0,0,0]=2 19175 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,1,0,1,0,0|0,0,0]=2 19176 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [0,1,0,1,0,0|1,0,0]=3 19177 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [0,1,0,1,0,0|1,0,0]=3 19178 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [0,1,0,1,0,0|2,0,0]=4 19179 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [0,1,0,1,0,0|2,0,0]=4 19180 B10R1.17 CNCCC1=CCCCC1 2230a_100000212019_200000210301 [0,1,0,1,0,0|1,0,1]=4 19181 B10R1.17 CNCCC1=CCCCC1 34a_100000212019_200000210301 [0,1,0,1,0,0|1,0,1]=4 19182 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,1,0,1,0,0|1,0,0]=3 19183 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,1,0,1,0,0|1,0,0]=3 19184 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,1,0,1,0,0|1,0,0]=3 19185 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,1,0,1,0,0|1,0,0]=3 19186 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,1,0,1,0,0|1,0,0]=3 19187 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,1,0,1,0,0|1,0,0]=3 19188 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,1,0,1,0,0|0,0,0]=2 19189 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,1,0,1,0,0|0,0,0]=2 19190 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [0,1,0,1,0,0|2,0,0]=4 19191 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [0,1,0,1,0,0|2,0,0]=4 19192 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [0,1,0,1,0,0|2,0,0]=4 19193 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [0,1,0,1,0,0|2,0,0]=4 19194 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [0,1,0,1,0,0|2,0,0]=4 19195 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [0,1,0,1,0,0|1,0,0]=3 19196 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [0,1,0,1,0,0|1,0,0]=3 19197 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [0,1,0,1,0,0|1,0,0]=3 19198 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [0,1,0,1,0,0|2,0,0]=4 19199 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [0,1,0,1,0,0|2,0,0]=4 19200 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [0,1,0,1,0,0|2,0,0]=4 19201 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,1,0,1,0,0|2,0,0]=4 19202 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,1,0,1,0,0|2,0,0]=4 19203 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,1,0,1,0,0|2,0,0]=4 19204 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,1,0,1,0,0|0,0,0]=2 19205 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,1,0,1,0,0|0,0,0]=2 19206 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,1,0,1,0,0|0,0,0]=2 19207 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [0,1,0,1,0,0|1,0,0]=3 19208 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [0,1,0,1,0,0|1,0,0]=3 19209 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [0,1,0,1,0,0|1,0,0]=3 19210 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [0,1,0,1,0,0|1,0,0]=3 19211 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [0,1,0,1,0,0|1,0,0]=3 19212 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [0,1,0,1,0,0|1,0,0]=3 19213 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [0,1,0,1,0,0|1,0,0]=3 19214 B10R1.17 COCCC1SCCCS1 34a_200011025297_200000210301 [0,1,0,1,0,0|1,1,0]=4 19215 B10R1.17 COCCC1SCCCS1 7a_200011025297_200000210301 [0,1,0,1,0,0|1,1,0]=4 19216 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [0,1,0,1,0,0|1,0,0]=3 19217 B10R1.17 COCCN1CCCOC1 2230a_100000131196_100011201679 [0,1,0,1,0,0|2,0,0]=4 19218 B10R1.17 COCCN1CCCOC1 269982a_100000131196_100000233755 [0,1,0,1,0,0|2,0,0]=4 19219 B10R1.17 COCCN1CCCOC1 34a_100000131196_100011201679 [0,1,0,1,0,0|2,0,0]=4 19220 B10R1.17 COCCN1CCOCC1 2230a_100015191051_100011201679 [0,1,0,1,0,0|2,0,0]=4 19221 B10R1.17 COCCN1CCOCC1 269982a_100015191051_100000233755 [0,1,0,1,0,0|2,0,0]=4 19222 B10R1.17 COCCN1CCOCC1 34a_100015191051_100011201679 [0,1,0,1,0,0|2,0,0]=4 19223 B10R1.17 COCCN1CCSCC1 2230a_100000737611_100011201679 [0,1,0,1,0,0|2,0,0]=4 19224 B10R1.17 COCCN1CCSCC1 269982a_100000737611_100000233755 [0,1,0,1,0,0|2,0,0]=4 19225 B10R1.17 COCCN1CCSCC1 7a_100000686052_200000210301 [0,1,0,1,0,0|2,0,0]=4 19226 B10R1.17 COCC[C@@H]1CNCCN1 34a_100016989929_200000210301 [0,1,0,1,0,0|2,0,0]=4 19227 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,1,0,1,0,0|1,0,0]=3 19228 B10R1.17 COCNC1CCCOC1 2230a_100000719290_100000766300 [0,1,0,1,0,0|2,0,0]=4 19229 B10R1.17 COCNC1CCOCC1 2230a_100000741149_100000766300 [0,1,0,1,0,0|2,0,0]=4 19230 B10R1.17 COCNC1CCSCC1 2230a_100000748639_100000766300 [0,1,0,1,0,0|2,0,0]=4 19231 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,1,0,1,0,0|1,0,0]=3 19232 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,1,0,1,0,0|1,0,0]=3 19233 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,1,0,1,0,0|1,0,0]=3 19234 B10R1.17 COCSC1CCCOC1 62a_100000766300_100000693364 [0,1,0,1,0,0|2,0,0]=4 19235 B10R1.17 COCSC1CCOCC1 62a_100000766300_100011324220 [0,1,0,1,0,0|2,0,0]=4 19236 B10R1.17 COCSC1CCSCC1 62a_100000766300_100000069128 [0,1,0,1,0,0|2,0,0]=4 19237 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,1,0,1,0,0|0,1,0]=3 19238 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,1,0,1,0,0|0,1,0]=3 19239 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [0,1,0,1,0,0|1,1,0]=4 19240 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [0,1,0,1,0,0|1,1,0]=4 19241 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [0,1,0,1,0,0|1,0,0]=3 19242 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [0,1,0,1,0,0|1,0,0]=3 19243 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [0,1,0,1,0,0|1,1,0]=4 19244 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [0,1,0,1,0,0|1,1,0]=4 19245 B10R1.17 CSCCN1CCCOC1 2230a_100000131196_100000751147 [0,1,0,1,0,0|2,0,0]=4 19246 B10R1.17 CSCCN1CCCOC1 269982a_100000131196_100000212216 [0,1,0,1,0,0|2,0,0]=4 19247 B10R1.17 CSCCN1CCCOC1 34a_100000131196_100000212216 [0,1,0,1,0,0|2,0,0]=4 19248 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [0,1,0,1,0,0|1,1,0]=4 19249 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [0,1,0,1,0,0|1,1,0]=4 19250 B10R1.17 CSCNC1CCCOC1 2230a_100000719290_100011218213 [0,1,0,1,0,0|2,0,0]=4 19251 B10R1.17 CSCNC1CCCOC1 34a_100000719290_100011218213 [0,1,0,1,0,0|2,0,0]=4 19252 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,1,0,1,0,0|1,1,0]=4 19253 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,1,0,1,0,0|1,1,0]=4 19254 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,1,0,1,0,0|1,1,0]=4 19255 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [0,1,0,1,0,0|1,0,0]=3 19256 B10R1.17 CSCOC1CCCOC1 34a_100000754041_100011218213 [0,1,0,1,0,0|2,0,0]=4 19257 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [0,1,0,1,0,0|1,1,0]=4 19258 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [0,1,0,1,0,0|1,1,0]=4 19259 B10R1.17 CSCSC1CCCOC1 62a_100011218213_100000693364 [0,1,0,1,0,0|2,0,0]=4 19260 B10R1.17 FCCCN1CCCOC1 2230a_100000131196_100011934791 [0,1,0,1,0,0|2,0,0]=4 19261 B10R1.17 FCCCN1CCCOC1 269982a_100000131196_100011934791 [0,1,0,1,0,0|2,0,0]=4 19262 B10R1.17 FCCCN1CCCOC1 34a_100000131196_100011934791 [0,1,0,1,0,0|2,0,0]=4 19263 B10R1.17 FCCCN1CCOCC1 2230a_100015191051_100011934791 [0,1,0,1,0,0|2,0,0]=4 19264 B10R1.17 FCCCN1CCOCC1 269982a_100015191051_100011934791 [0,1,0,1,0,0|2,0,0]=4 19265 B10R1.17 FCCCN1CCOCC1 34a_100015191051_100011934791 [0,1,0,1,0,0|2,0,0]=4 19266 B10R1.17 FCCCN1CCSCC1 2230a_100000737611_100011934791 [0,1,0,1,0,0|2,0,0]=4 19267 B10R1.17 FCCCN1CCSCC1 269982a_100000737611_100011934791 [0,1,0,1,0,0|2,0,0]=4 19268 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,1,0,1,0,0|1,0,0]=3 19269 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,1,0,1,0,0|1,0,0]=3 19270 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,1,0,1,0,0|1,0,0]=3 19271 B10R1.17 FCCNC1CCCOC1 2230a_100000719290_100011217306 [0,1,0,1,0,0|2,0,0]=4 19272 B10R1.17 FCCNC1CCCOC1 34a_100000719290_100011217306 [0,1,0,1,0,0|2,0,0]=4 19273 B10R1.17 FCCNC1CCCOC1 34a_100000724931_100000693364 [0,1,0,1,0,0|2,0,0]=4 19274 B10R1.17 FCCNC1CCOCC1 2230a_100000741149_100011217306 [0,1,0,1,0,0|2,0,0]=4 19275 B10R1.17 FCCNC1CCOCC1 34a_100000741149_100011217306 [0,1,0,1,0,0|2,0,0]=4 19276 B10R1.17 FCCNC1CCSCC1 2230a_100000748639_100011217306 [0,1,0,1,0,0|2,0,0]=4 19277 B10R1.17 FCCNC1CCSCC1 34a_100000724931_100000069128 [0,1,0,1,0,0|2,0,0]=4 19278 B10R1.17 FCCNC1CCSCC1 34a_100000748639_100011217306 [0,1,0,1,0,0|2,0,0]=4 19279 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,1,0,1,0,0|1,0,0]=3 19280 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,1,0,1,0,0|1,0,0]=3 19281 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [0,1,0,1,0,0|1,0,0]=3 19282 B10R1.17 FCCOC1CCCOC1 34a_100000754041_100011217306 [0,1,0,1,0,0|2,0,0]=4 19283 B10R1.17 FCCOC1CCCSC1 7a_100015962668_100011217306 [0,1,0,1,0,0|2,0,0]=4 19284 B10R1.17 FCCOC1CCOCC1 34a_100000744328_100011217306 [0,1,0,1,0,0|2,0,0]=4 19285 B10R1.17 FCCOC1CCSCC1 34a_100000731022_100011217306 [0,1,0,1,0,0|2,0,0]=4 19286 B10R1.17 FCCOC1CCSCC1 7a_100000731022_100011217306 [0,1,0,1,0,0|2,0,0]=4 19287 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,1,0,1,0,0|1,0,0]=3 19288 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,1,0,1,0,0|1,0,0]=3 19289 B10R1.17 FCCSC1CCCOC1 62a_100011217306_100000693364 [0,1,0,1,0,0|2,0,0]=4 19290 B10R1.17 FCCSC1CCOCC1 62a_100011217306_100011324220 [0,1,0,1,0,0|2,0,0]=4 19291 B10R1.17 FCCSC1CCSCC1 62a_100011217306_100000069128 [0,1,0,1,0,0|2,0,0]=4 19292 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,1,0,1,0,0|1,0,0]=3 19293 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [0,1,0,1,0,0|1,0,0]=3 19294 B10R1.17 FCNCC1CCCOC1 34a_100000720124_100015361967 [0,1,0,1,0,0|2,0,0]=4 19295 B10R1.17 FCNCC1CCOCC1 34a_100000746373_100015361967 [0,1,0,1,0,0|2,0,0]=4 19296 B10R1.17 FCNCC1CCSCC1 34a_100015188806_100015361967 [0,1,0,1,0,0|2,0,0]=4 19297 B10R1.17 FCNC[C@H]1COCCO1 34a_100010981119_100015361967 [0,1,0,1,0,0|2,0,0]=4 19298 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,1,0,1,0,0|1,0,0]=3 19299 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,1,0,1,0,0|1,0,0]=3 19300 B10R1.17 FCOCC1CCCCN1 34a_100000210821_100015361967 [0,1,0,1,0,0|2,0,0]=4 19301 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [0,1,0,1,0,0|1,0,0]=3 19302 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [0,1,0,1,0,0|1,0,0]=3 19303 B10R1.17 FCOCC1CCCNC1 34a_100000211344_100015361967 [0,1,0,1,0,0|2,0,0]=4 19304 B10R1.17 FCOCC1CCCOC1 34a_100000741520_100015361967 [0,1,0,1,0,0|2,0,0]=4 19305 B10R1.17 FCOCC1CCNCC1 34a_100000738675_100015361967 [0,1,0,1,0,0|2,0,0]=4 19306 B10R1.17 FCOCC1CCOCC1 34a_100000749013_100015361967 [0,1,0,1,0,0|2,0,0]=4 19307 B10R1.17 FCOCC1CCSCC1 34a_100000070558_100015361967 [0,1,0,1,0,0|2,0,0]=4 19308 B10R1.17 FCOCC1CCSCC1 7a_100000070558_100015361967 [0,1,0,1,0,0|2,0,0]=4 19309 B10R1.17 FCOC[C@@H]1CNCCO1 34a_100015189573_100015361967 [0,1,0,1,0,0|2,0,0]=4 19310 B10R1.17 FCOC[C@H]1COCCO1 34a_100009875890_100015361967 [0,1,0,1,0,0|2,0,0]=4 19311 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,1,0,1,0,0|1,0,0]=3 19312 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,1,0,1,0,0|1,0,0]=3 19313 B10R1.17 FCSCC1CCCCO1 62a_100000211543_100015361967 [0,1,0,1,0,0|1,0,0]=3 19314 B10R1.17 FCSCC1CCCCO1 62a_100015361967_100000211543 [0,1,0,1,0,0|1,0,0]=3 19315 B10R1.17 FCSCC1CCCOC1 62a_100000741521_100015361967 [0,1,0,1,0,0|2,0,0]=4 19316 B10R1.17 FCSCC1CCCOC1 62a_100015361967_100000741521 [0,1,0,1,0,0|2,0,0]=4 19317 B10R1.17 FCSCC1CCOCC1 62a_100000754603_100015361967 [0,1,0,1,0,0|2,0,0]=4 19318 B10R1.17 FCSCC1CCOCC1 62a_100015361967_100000749018 [0,1,0,1,0,0|2,0,0]=4 19319 B10R1.17 N#CCNC1CCCCC1 2230a_100000182618_100011215382 [0,1,0,1,0,0|1,0,1]=4 19320 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [0,1,0,1,0,0|1,0,1]=4 19321 B10R1.17 N#CCSC1CCCCC1 62a_100000210327_100011215382 [0,1,0,1,0,0|1,0,1]=4 19322 B10R1.17 N#CCSC1CCCCC1 62a_100011215382_100000210327 [0,1,0,1,0,0|1,0,1]=4 19323 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,1,0,1,0,0|1,0,0]=3 19324 B10R1.17 NCCOC1CCCOC1 34a_100000210304_100000693364 [0,1,0,1,0,0|2,0,0]=4 19325 B10R1.17 NCCOC1CCSCC1 34a_100000210304_100000069128 [0,1,0,1,0,0|2,0,0]=4 19326 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,1,0,1,0,0|0,0,2]=4 19327 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,1,0,1,0,0|0,0,2]=4 19328 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,1,0,1,0,0|0,0,2]=4 19329 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,1,0,1,0,0|0,0,2]=4 19330 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,1,0,1,0,0|1,0,1]=4 19331 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,1,0,1,0,0|0,0,2]=4 19332 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,1,0,1,0,0|0,0,2]=4 19333 B10R1.17 OCCCN1CC=CCC1 2230a_100000698166_100000230001 [0,1,0,1,0,0|0,0,2]=4 19334 B10R1.17 OCCCN1CC=CCC1 269982a_100000698166_100011215043 [0,1,0,1,0,0|0,0,2]=4 19335 B10R1.17 OCCCN1CC=CCC1 34a_100000698166_100000230001 [0,1,0,1,0,0|0,0,2]=4 19336 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [0,1,0,1,0,0|1,0,0]=3 19337 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [0,1,0,1,0,0|1,0,0]=3 19338 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [0,1,0,1,0,0|1,0,0]=3 19339 B10R1.17 OCCCN1CCOCC1 2230a_100015191051_100000230001 [0,1,0,1,0,0|1,0,0]=3 19340 B10R1.17 OCCCN1CCOCC1 269982a_100015191051_100011215043 [0,1,0,1,0,0|1,0,0]=3 19341 B10R1.17 OCCCN1CCOCC1 34a_100015191051_100000230001 [0,1,0,1,0,0|1,0,0]=3 19342 B10R1.17 OCCCN1CCSCC1 2230a_100000737611_100000230001 [0,1,0,1,0,0|1,0,0]=3 19343 B10R1.17 OCCCN1CCSCC1 269982a_100000737611_100011215043 [0,1,0,1,0,0|1,0,0]=3 19344 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [0,1,0,1,0,0|0,0,2]=4 19345 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,1,0,1,0,0|0,0,0]=2 19346 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,1,0,1,0,0|0,0,0]=2 19347 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,1,0,1,0,0|0,0,0]=2 19348 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,1,0,1,0,0|0,0,0]=2 19349 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [0,1,0,1,0,0|1,0,0]=3 19350 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [0,1,0,1,0,0|1,0,0]=3 19351 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [0,1,0,1,0,0|1,0,0]=3 19352 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [0,1,0,1,0,0|1,0,0]=3 19353 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [0,1,0,1,0,0|1,0,0]=3 19354 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [0,1,0,1,0,0|1,0,0]=3 19355 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [0,1,0,1,0,0|1,0,0]=3 19356 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [0,1,0,1,0,0|1,0,0]=3 19357 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [0,1,0,1,0,0|1,0,0]=3 19358 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [0,1,0,1,0,0|1,0,0]=3 19359 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [0,1,0,1,0,0|1,0,0]=3 19360 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [0,1,0,1,0,0|1,0,0]=3 19361 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [0,1,0,1,0,0|1,0,0]=3 19362 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,1,0,1,0,0|0,0,2]=4 19363 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,1,0,1,0,0|0,0,2]=4 19364 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,1,0,1,0,0|0,0,0]=2 19365 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,1,0,1,0,0|0,0,0]=2 19366 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,1,0,1,0,0|1,0,0]=3 19367 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [0,1,0,1,0,0|1,0,0]=3 19368 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [0,1,0,1,0,0|1,0,0]=3 19369 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [0,1,0,1,0,0|1,0,0]=3 19370 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,1,0,1,0,0|1,0,0]=3 19371 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,1,0,1,0,0|1,0,0]=3 19372 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [0,1,0,1,0,0|0,0,2]=4 19373 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [0,1,0,1,0,0|0,0,2]=4 19374 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,1,0,1,0,0|0,0,0]=2 19375 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,1,0,1,0,0|0,0,0]=2 19376 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [0,1,0,1,0,0|1,0,0]=3 19377 B10R1.17 OCCSC1CCOCC1 62a_100000211926_100011324220 [0,1,0,1,0,0|1,0,0]=3 19378 B10R1.17 OCCSC1CCSCC1 62a_100000211926_100000069128 [0,1,0,1,0,0|1,0,0]=3 19379 B10R1.17 [13CH3]NCCC1=CCCCC1 2230a_100000212019_200025704644 [0,1,0,1,0,0|1,0,1]=4 19380 B10R1.17 [13CH3]NCCC1=CCCCC1 34a_100000212019_200025704644 [0,1,0,1,0,0|1,0,1]=4 19381 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,1,0,1,0,0|1,0,0]=3 19382 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,1,0,1,0,0|1,0,0]=3 19383 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,1,0,1,0,0|0,0,0]=2 19384 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,1,0,1,0,0|0,0,0]=2 19385 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [0,1,0,1,0,0|2,0,0]=4 19386 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [0,1,0,1,0,0|2,0,0]=4 19387 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,1,0,1,0,0|0,0,0]=2 19388 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,1,0,1,0,0|0,0,0]=2 19389 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [0,1,0,1,0,0|1,0,0]=3 19390 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [0,1,0,1,0,0|1,0,0]=3 19391 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [0,1,0,1,0,0|1,0,0]=3 19392 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [0,1,0,1,0,0|1,0,0]=3 19393 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [0,1,0,1,0,0|1,0,0]=3 19394 B10R1.17 [13CH3]OCCC1SCCCS1 34a_200011025297_200025704644 [0,1,0,1,0,0|1,1,0]=4 19395 B10R1.17 [13CH3]OCCC1SCCCS1 7a_200011025297_200025704644 [0,1,0,1,0,0|1,1,0]=4 19396 B10R1.17 [13CH3]OCCN1CCSCC1 7a_100000686052_200025704644 [0,1,0,1,0,0|2,0,0]=4 19397 B10R1.17 [13CH3]OCC[C@@H]1CNCCN1 34a_100016989929_200025704644 [0,1,0,1,0,0|2,0,0]=4 19398 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,1,0,1,0,0|0,1,0]=3 19399 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,1,0,1,0,0|0,1,0]=3 19400 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [0,1,0,1,0,0|1,1,0]=4 19401 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [0,1,0,1,0,0|1,1,0]=4 19402 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [0,1,0,1,0,0|1,0,0]=3 19403 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [0,1,0,1,0,0|1,0,0]=3 19404 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [0,1,0,1,0,0|1,1,0]=4 19405 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [0,1,0,1,0,0|1,1,0]=4 19406 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,1,0,1,0,0|1,1,0]=4 19407 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,1,0,1,0,0|1,1,0]=4 19408 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 19409 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 19410 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,1,0,1,0,0|2,0,0]=4 19411 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,1,0,1,0,0|2,0,0]=4 19412 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 19413 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 19414 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210202 [0,1,0,1,0,0|1,0,0]=3 19415 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000204670 [0,1,0,1,0,0|1,0,0]=3 19416 B10R1.32 CCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210202 [0,1,0,1,0,0|1,0,0]=3 19417 B10R1.32 CCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000204670 [0,1,0,1,0,0|1,0,0]=3 19418 B10R1.32 CCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210202 [0,1,0,1,0,0|1,0,0]=3 19419 B10R1.32 CN1C[C@H]([C@@H](C1)CO)CO 2230a_200025772242_200000210301 [0,1,0,1,0,0|2,0,0]=4 19420 B10R1.32 CN1C[C@H]([C@@H](C1)CO)CO 269982a_200025772242_200000210301 [0,1,0,1,0,0|2,0,0]=4 19421 B10R1.32 CN1C[C@H]([C@@H](C1)CO)CO 34a_200025772242_200000210301 [0,1,0,1,0,0|2,0,0]=4 19422 B10R1.32 OC[C@@H]1C[C@@H](CN1CF)F 269982a_100015204000_100015361967 [0,1,0,1,0,0|2,0,0]=4 19423 B10R1.32 OC[C@@H]1C[C@@H](CN1CF)F 34a_100015204000_100015361967 [0,1,0,1,0,0|2,0,0]=4 19424 B10R1.32 OC[C@@H]1C[C@H](CN1CF)O 269982a_100000707816_100015361967 [0,1,0,1,0,0|2,0,0]=4 19425 B10R1.32 [13CH3]N1C[C@H]([C@@H](C1)CO)CO 2230a_200025772242_200025704644 [0,1,0,1,0,0|2,0,0]=4 19426 B10R1.32 [13CH3]N1C[C@H]([C@@H](C1)CO)CO 269982a_200025772242_200025704644 [0,1,0,1,0,0|2,0,0]=4 19427 B10R1.32 [13CH3]N1C[C@H]([C@@H](C1)CO)CO 34a_200025772242_200025704644 [0,1,0,1,0,0|2,0,0]=4 19428 B10R1.143 CCC1CN(C1)CCCF 2230a_100015205115_100011934791 [0,1,0,1,0,0|2,0,0]=4 19429 B10R1.143 CCC1CN(C1)CCCF 269982a_100015205115_100011934791 [0,1,0,1,0,0|2,0,0]=4 19430 B10R1.143 CCC1CN(C1)CCCO 2230a_100015205115_100000230001 [0,1,0,1,0,0|1,0,0]=3 19431 B10R1.143 CCC1CN(C1)CCCO 269982a_100015205115_100011215043 [0,1,0,1,0,0|1,0,0]=3 19432 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [0,1,0,1,0,0|2,0,0]=4 19433 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [0,1,0,1,0,0|2,0,0]=4 19434 B10R1.143 CCCCN1CC(C1)CF 269982a_100010363649_100000210211 [0,1,0,1,0,0|2,0,0]=4 19435 B10R1.143 CCCCN1CC(C1)CF 34a_100010363649_100000210210 [0,1,0,1,0,0|2,0,0]=4 19436 B10R1.143 CCCCN1CC(C1)CO 269982a_100016987283_100000210211 [0,1,0,1,0,0|1,0,0]=3 19437 B10R1.143 CCCCN1CC(C1)CO 34a_100016987283_100000210210 [0,1,0,1,0,0|1,0,0]=3 19438 B10R1.143 CCCNC1CC(C1)CO 270004a_100020643023_100000101936 [0,1,0,1,0,0|1,0,0]=3 19439 B10R1.143 CCCSC1CC(C1)CO 62a_100000210303_100009874164 [0,1,0,1,0,0|1,0,0]=3 19440 B10R1.143 CCCSC1CC(C1)CO 62a_100009874164_100000210303 [0,1,0,1,0,0|1,0,0]=3 19441 B10R1.143 CCN1CC(C1)NCCO 2230a_200015199589_100000211926 [0,1,0,1,0,0|2,0,0]=4 19442 B10R1.143 CCOCN1CC(C1)CO 269982a_100016987283_100000739092 [0,1,0,1,0,0|2,0,0]=4 19443 B10R1.143 COC1CN(C1)CCCO 269982a_100000755009_100011215043 [0,1,0,1,0,0|2,0,0]=4 19444 B10R1.143 COCCN1CC(C1)CO 269982a_100016987283_100000233755 [0,1,0,1,0,0|2,0,0]=4 19445 B10R1.143 COCCN1CC(C1)CO 34a_100016987283_100011201679 [0,1,0,1,0,0|2,0,0]=4 19446 B10R1.143 COCSC1CC(C1)CO 62a_100000766300_100009874164 [0,1,0,1,0,0|2,0,0]=4 19447 B10R1.143 COCSC1CC(C1)CO 62a_100009874164_100000766300 [0,1,0,1,0,0|2,0,0]=4 19448 B10R1.143 CO[C@H]1C[C@@H](C1)NCCO 2230a_100121570643_100000211926 [0,1,0,1,0,0|2,0,0]=4 19449 B10R1.143 CSC1CN(C1)CCCO 269982a_100016990038_100011215043 [0,1,0,1,0,0|2,0,0]=4 19450 B10R1.143 CSCCN1CC(C1)CO 269982a_100016987283_100000212216 [0,1,0,1,0,0|2,0,0]=4 19451 B10R1.143 CSCCN1CC(C1)CO 34a_100016987283_100000212216 [0,1,0,1,0,0|2,0,0]=4 19452 B10R1.143 CSCSC1CC(C1)CO 62a_100009874164_100011218213 [0,1,0,1,0,0|2,0,0]=4 19453 B10R1.143 CSCSC1CC(C1)CO 62a_100011218213_100009874164 [0,1,0,1,0,0|2,0,0]=4 19454 B10R1.143 OCC1CC(C1)SCCF 62a_100009874164_100011217306 [0,1,0,1,0,0|2,0,0]=4 19455 B10R1.143 OCC1CC(C1)SCCF 62a_100011217306_100009874164 [0,1,0,1,0,0|2,0,0]=4 19456 B10R1.143 OCC1CN(C1)CCCF 269982a_100016987283_100011934791 [0,1,0,1,0,0|2,0,0]=4 19457 B10R1.143 OCC1CN(C1)CCCF 34a_100016987283_100011934791 [0,1,0,1,0,0|2,0,0]=4 19458 B10R1.143 OCCCN1CC(C1)CF 269982a_100010363649_100011215043 [0,1,0,1,0,0|2,0,0]=4 19459 B10R1.143 OCCCN1CC(C1)CF 34a_100010363649_100000230001 [0,1,0,1,0,0|2,0,0]=4 19460 B10R1.143 OCCCN1CC(C1)CO 269982a_100016987283_100011215043 [0,1,0,1,0,0|2,0,0]=4 19461 B10R1.143 OCCCN1CC(C1)CO 34a_100016987283_100000230001 [0,1,0,1,0,0|2,0,0]=4 19462 B10R1.143 OCCNC1CC(C1)CO 270004a_100000210304_100000101936 [0,1,0,1,0,0|2,0,0]=4 19463 B10R1.143 OCCSC1CC(C1)CO 62a_100000211926_100009874164 [0,1,0,1,0,0|2,0,0]=4 19464 B10R1.143 OCCSC1CC(C1)CO 62a_100009874164_100000211926 [0,1,0,1,0,0|2,0,0]=4 19465 B10R1.178 CC(NCCF)C1CCC1 2230a_100016994624_100011217306 [0,1,0,1,0,0|2,0,0]=4 19466 B10R1.178 CC(NCCF)C1CCC1 269862a_100000724931_100000760154 [0,1,0,1,0,0|2,0,0]=4 19467 B10R1.178 CC(NCCF)C1CCC1 34a_100016994624_100011217306 [0,1,0,1,0,0|2,0,0]=4 19468 B10R1.178 CC(NCCO)C1CCC1 2230a_100016994624_100000211926 [0,1,0,1,0,0|1,0,0]=3 19469 B10R1.178 CC(NCCO)C1CCC1 269862a_100000210304_100000760154 [0,1,0,1,0,0|1,0,0]=3 19470 B10R1.178 CC(NCCO)C1CCC1 34a_100016994624_100000211926 [0,1,0,1,0,0|1,0,0]=3 19471 B10R1.178 CC(OCCF)C1CCC1 34a_100000766398_100011217306 [0,1,0,1,0,0|2,0,0]=4 19472 B10R1.178 CC(OCCF)C1CCC1 7a_100000766398_100011217306 [0,1,0,1,0,0|2,0,0]=4 19473 B10R1.178 CC(OCCO)C1CCC1 34a_100000766398_100000211926 [0,1,0,1,0,0|1,0,0]=3 19474 B10R1.178 CC(OCCO)C1CCC1 7a_100000766398_100000211926 [0,1,0,1,0,0|1,0,0]=3 19475 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|1,0,1]=4 19476 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|1,0,1]=4 19477 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|0,0,1]=3 19478 B10R1.178 CCCCC(C)N1CCC1 269982a_100000754969_200011215066 [0,1,0,1,0,0|2,0,0]=4 19479 B10R1.178 CCCCN(C)C1CCC1 2230a_100000758072_100000210211 [0,1,0,1,0,0|2,0,0]=4 19480 B10R1.178 CCCCN(C)C1CCC1 269982a_100000207549_100000749161 [0,1,0,1,0,0|2,0,0]=4 19481 B10R1.178 CCCCN(C)C1CCC1 269982a_100000758072_100000210211 [0,1,0,1,0,0|2,0,0]=4 19482 B10R1.178 CCCCN(C)C1CCC1 270004a_100000207549_100000241760 [0,1,0,1,0,0|2,0,0]=4 19483 B10R1.178 CCCCN(C)C1CCC1 34a_100000758072_100000210210 [0,1,0,1,0,0|2,0,0]=4 19484 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 19485 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 19486 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 19487 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 19488 B10R1.178 CCCNC(C)C1CCC1 2230a_100016994624_100000210303 [0,1,0,1,0,0|2,0,0]=4 19489 B10R1.178 CCCNC(C)C1CCC1 269862a_100020643023_100000760154 [0,1,0,1,0,0|2,0,0]=4 19490 B10R1.178 CCCNC(C)C1CCC1 34a_100016994624_100000210303 [0,1,0,1,0,0|2,0,0]=4 19491 B10R1.178 CCCOC(C)C1CCC1 34a_100000766398_100000210303 [0,1,0,1,0,0|2,0,0]=4 19492 B10R1.178 CCCOC(C)C1CCC1 7a_100000766398_100000210303 [0,1,0,1,0,0|2,0,0]=4 19493 B10R1.178 CN(CCCF)C1CCC1 2230a_100000758072_100011934791 [0,1,0,1,0,0|2,0,0]=4 19494 B10R1.178 CN(CCCF)C1CCC1 269982a_100000758072_100011934791 [0,1,0,1,0,0|2,0,0]=4 19495 B10R1.178 CN(CCCF)C1CCC1 34a_100000758072_100011934791 [0,1,0,1,0,0|2,0,0]=4 19496 B10R1.178 CN(CCCO)C1CCC1 2230a_100000758072_100000230001 [0,1,0,1,0,0|1,0,0]=3 19497 B10R1.178 CN(CCCO)C1CCC1 269982a_100000213112_100000749161 [0,1,0,1,0,0|1,0,0]=3 19498 B10R1.178 CN(CCCO)C1CCC1 269982a_100000758072_100011215043 [0,1,0,1,0,0|1,0,0]=3 19499 B10R1.178 CN(CCCO)C1CCC1 270004a_100000213112_100000241760 [0,1,0,1,0,0|1,0,0]=3 19500 B10R1.178 CN(CCCO)C1CCC1 34a_100000758072_100000230001 [0,1,0,1,0,0|1,0,0]=3 19501 B10R1.178 CN(CCCO)C1COC1 2230a_100102693430_100000230001 [0,1,0,1,0,0|2,0,0]=4 19502 B10R1.178 CN(CCCO)C1COC1 269982a_100000213112_100000687716 [0,1,0,1,0,0|2,0,0]=4 19503 B10R1.178 CN(CCCO)C1COC1 269982a_100102693430_100011215043 [0,1,0,1,0,0|2,0,0]=4 19504 B10R1.178 COCCC(=O)C1CCO1 1458a_100000089072_100000233755 [0,1,0,1,0,0|1,0,1]=4 19505 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|1,0,1]=4 19506 B10R1.178 O=C(CCCF)C1CCC1 1458a_100000209988_100011934791 [0,1,0,1,0,0|1,0,1]=4 19507 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|1,0,1]=4 19508 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [0,1,0,1,0,0|0,0,1]=3 19509 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|1,0,1]=4 19510 B10R1.178 O=C(CCCO)C1COC1 1458a_100000758290_100011215043 [0,1,0,1,0,0|1,0,1]=4 19511 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [0,1,0,1,0,0|1,0,1]=4 19512 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [0,1,0,1,0,0|1,0,1]=4 19513 B10R1.180 CC(CC1CC1)NCCO 270004a_100000210304_200000686933 [0,1,0,1,0,0|1,0,0]=3 19514 B10R1.180 CC(CCCCl)OC1CC1 34a_200000718107_100000211595 [0,1,0,1,0,0|2,0,0]=4 19515 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,1,0,1,0,0|1,0,1]=4 19516 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,1,0,1,0,0|1,0,1]=4 19517 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|0,0,1]=3 19518 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,1,0,1,0,0|0,1,1]=4 19519 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|0,0,1]=3 19520 B10R1.180 CCCCC(C)NC1CC1 34a_100000212008_200011215066 [0,1,0,1,0,0|2,0,0]=4 19521 B10R1.180 CCCCC(C)OC1CC1 34a_100000687866_100000211595 [0,1,0,1,0,0|2,0,0]=4 19522 B10R1.180 CCCCC(C)SC1CC1 62a_200011215066_100000211595 [0,1,0,1,0,0|2,0,0]=4 19523 B10R1.180 CCCCN(C)CC1CC1 2230a_100000207549_100000742324 [0,1,0,1,0,0|2,0,0]=4 19524 B10R1.180 CCCCN(C)CC1CC1 2230a_100000741881_100000210211 [0,1,0,1,0,0|2,0,0]=4 19525 B10R1.180 CCCCN(C)CC1CC1 269982a_100000207549_100000756562 [0,1,0,1,0,0|2,0,0]=4 19526 B10R1.180 CCCCN(C)CC1CC1 269982a_100000741881_100000210211 [0,1,0,1,0,0|2,0,0]=4 19527 B10R1.180 CCCCN(C)CC1CO1 2230a_100000207549_100011216344 [0,1,0,1,0,0|1,0,0]=3 19528 B10R1.180 CCCCN(C)CC1CO1 269982a_100000207549_102125554688 [0,1,0,1,0,0|1,0,0]=3 19529 B10R1.180 CCCCN(C)CC1CS1 269982a_100000207549_100000031435 [0,1,0,1,0,0|1,1,0]=4 19530 B10R1.180 CCCCN(C)C[C@@H]1CO1 269982a_100000207549_100000745022 [0,1,0,1,0,0|1,0,0]=3 19531 B10R1.180 CCCNC(C)CC1CC1 270004a_100020643023_200000686933 [0,1,0,1,0,0|2,0,0]=4 19532 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|1,0,1]=4 19533 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|1,0,1]=4 19534 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [0,1,0,1,0,0|1,0,1]=4 19535 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [0,1,0,1,0,0|1,0,1]=4 19536 B10R1.180 CN(CCCF)CC1CC1 2230a_100000741881_100011934791 [0,1,0,1,0,0|2,0,0]=4 19537 B10R1.180 CN(CCCF)CC1CC1 269982a_100000741881_100011934791 [0,1,0,1,0,0|2,0,0]=4 19538 B10R1.180 CN(CCCO)CC1CC1 2230a_100000213112_100000742324 [0,1,0,1,0,0|1,0,0]=3 19539 B10R1.180 CN(CCCO)CC1CC1 2230a_100000741881_100000230001 [0,1,0,1,0,0|1,0,0]=3 19540 B10R1.180 CN(CCCO)CC1CC1 269982a_100000213112_100000756562 [0,1,0,1,0,0|1,0,0]=3 19541 B10R1.180 CN(CCCO)CC1CC1 269982a_100000741881_100011215043 [0,1,0,1,0,0|1,0,0]=3 19542 B10R1.180 CN(CCCO)CC1CO1 2230a_100000213112_100011216344 [0,1,0,1,0,0|2,0,0]=4 19543 B10R1.180 CN(CCCO)CC1CO1 269982a_100000213112_102125554688 [0,1,0,1,0,0|2,0,0]=4 19544 B10R1.180 CN(CCCO)CC1CS1 269982a_100000213112_100000031435 [0,1,0,1,0,0|2,0,0]=4 19545 B10R1.180 CN(CCCO)C[C@@H]1CO1 269982a_100000213112_100000745022 [0,1,0,1,0,0|2,0,0]=4 19546 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,1,0,1,0,0|1,0,1]=4 19547 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,1,0,1,0,0|1,0,1]=4 19548 B10R1.180 COCCN(C)CC1CO1 2230a_100000743101_100011216344 [0,1,0,1,0,0|2,0,0]=4 19549 B10R1.180 COCCN(C)CC1CO1 269982a_100000743101_102125554688 [0,1,0,1,0,0|2,0,0]=4 19550 B10R1.180 COCCN(C)C[C@@H]1CO1 269982a_100000743101_100000745022 [0,1,0,1,0,0|2,0,0]=4 19551 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,1,0,1,0,0|1,0,1]=4 19552 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,1,0,1,0,0|1,0,1]=4 19553 B10R1.180 CSCCN(C)CC1CO1 2230a_100000686725_100011216344 [0,1,0,1,0,0|2,0,0]=4 19554 B10R1.180 CSCCN(C)CC1CO1 269982a_100000686725_102125554688 [0,1,0,1,0,0|2,0,0]=4 19555 B10R1.180 CSCCN(C)C[C@@H]1CO1 269982a_100000686725_100000745022 [0,1,0,1,0,0|2,0,0]=4 19556 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [0,1,0,1,0,0|1,0,1]=4 19557 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [0,1,0,1,0,0|1,0,1]=4 19558 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [0,1,0,1,0,0|1,0,1]=4 19559 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [0,1,0,1,0,0|0,0,1]=3 19560 B10R1.187 CC1CCC(N1CCF)C 2230a_100000687148_100011217306 [0,1,0,1,0,0|2,0,0]=4 19561 B10R1.187 CC1CCC(N1CCF)C 269982a_100000687148_100011217306 [0,1,0,1,0,0|2,0,0]=4 19562 B10R1.187 CC1CCC(N1CCF)C 34a_100000687148_100011217306 [0,1,0,1,0,0|2,0,0]=4 19563 B10R1.187 CC1CCC(N1CCO)C 2230a_100000687148_100000211926 [0,1,0,1,0,0|1,0,0]=3 19564 B10R1.187 CC1CCC(N1CCO)C 269982a_100000687148_100000211926 [0,1,0,1,0,0|1,0,0]=3 19565 B10R1.187 CC1CCC(N1CCO)C 34a_100000687148_100000211926 [0,1,0,1,0,0|1,0,0]=3 19566 B10R1.187 CCCN1C(CCC1C)C 2230a_100000687148_100000210303 [0,1,0,1,0,0|2,0,0]=4 19567 B10R1.187 CCCN1C(CCC1C)C 269982a_100000687148_100000210303 [0,1,0,1,0,0|2,0,0]=4 19568 B10R1.187 CCCN1C(CCC1C)C 34a_100000687148_100000210303 [0,1,0,1,0,0|2,0,0]=4 19569 B10R1.216 CC1(CCCC1)OCCF 34a_100000751722_100011217306 [0,1,0,1,0,0|2,0,0]=4 19570 B10R1.216 CC1(CCCC1)OCCF 7a_100000751722_100011217306 [0,1,0,1,0,0|2,0,0]=4 19571 B10R1.216 CC1(CCCC1)OCCO 34a_100000751722_100000211926 [0,1,0,1,0,0|1,0,0]=3 19572 B10R1.216 CC1(CCCC1)OCCO 7a_100000751722_100000211926 [0,1,0,1,0,0|1,0,0]=3 19573 B10R1.216 CC1(CCOC1)NCCO 2230a_100000693475_100000211926 [0,1,0,1,0,0|2,0,0]=4 19574 B10R1.216 CC1(OCCO1)CCN[13CH3] 2230a_100000073055_200025704644 [0,1,0,1,0,0|2,0,0]=4 19575 B10R1.216 CC1(OCCO1)CCO[13CH3] 7a_100009861814_200025704644 [0,1,0,1,0,0|2,0,0]=4 19576 B10R1.216 CC1(OCCO1)CCS[13CH3] 62a_100000758764_200025704644 [0,1,0,1,0,0|2,0,0]=4 19577 B10R1.216 CC1(OCCO1)CCS[13CH3] 62a_200025704644_100000758764 [0,1,0,1,0,0|2,0,0]=4 19578 B10R1.216 CCCOC1(CCCC1)C 34a_100000751722_100000210303 [0,1,0,1,0,0|2,0,0]=4 19579 B10R1.216 CCCOC1(CCCC1)C 7a_100000751722_100000210303 [0,1,0,1,0,0|2,0,0]=4 19580 B10R1.216 CCNCC1(CCCC1)O 2230a_100000737848_100000210202 [0,1,0,1,0,0|2,0,0]=4 19581 B10R1.216 CCNCC1(OCCO1)C 2230a_100000691740_100000210202 [0,1,0,1,0,0|2,0,0]=4 19582 B10R1.216 CCOCC1(CCCC1)N 34a_100000749328_100000210202 [0,1,0,1,0,0|2,0,0]=4 19583 B10R1.216 CCOC[C@@]1(CCCN1)C 34a_100016195882_100000210202 [0,1,0,1,0,0|2,0,0]=4 19584 B10R1.216 CCSCC1(OCCO1)C 62a_100000210202_100009818610 [0,1,0,1,0,0|2,0,0]=4 19585 B10R1.216 CCSCC1(OCCO1)C 62a_100009818610_100000210202 [0,1,0,1,0,0|2,0,0]=4 19586 B10R1.216 CNCCC1(CCCC1)O 34a_100000719956_200000210301 [0,1,0,1,0,0|2,0,0]=4 19587 B10R1.216 CNCCC1(OCCO1)C 2230a_100000073055_200000210301 [0,1,0,1,0,0|2,0,0]=4 19588 B10R1.216 CNCCC1(OCCO1)C 2230a_106832991635_100000758764 [0,1,0,1,0,0|2,0,0]=4 19589 B10R1.216 CNCCC1(OCCO1)C 34a_100102657272_100000758764 [0,1,0,1,0,0|2,0,0]=4 19590 B10R1.216 CNCCC1(OCCO1)C 7a_106832991635_100000758764 [0,1,0,1,0,0|2,0,0]=4 19591 B10R1.216 COCCC1(OCCO1)C 34a_100138415774_100000758764 [0,1,0,1,0,0|2,0,0]=4 19592 B10R1.216 COCCC1(OCCO1)C 7a_100009861814_200000210301 [0,1,0,1,0,0|2,0,0]=4 19593 B10R1.216 CSCCC1(OCCO1)C 62a_100000758764_200000210301 [0,1,0,1,0,0|2,0,0]=4 19594 B10R1.216 CSCCC1(OCCO1)C 62a_200000210301_100000758764 [0,1,0,1,0,0|2,0,0]=4 19595 B10R1.216 NC1(CCCC1)COCF 34a_100000749328_100015361967 [0,1,0,1,0,0|2,0,0]=4 19596 B10R1.216 [13CH3]NCCC1(CCCC1)O 34a_100000719956_200025704644 [0,1,0,1,0,0|2,0,0]=4 19597 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,1,0,1,0,0|1,0,1]=4 19598 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,1,0,1,0,0|0,0,1]=3 19599 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,1,0,1,0,0|1,0,1]=4 19600 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|1,0,1]=4 19601 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|1,0,1]=4 19602 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [0,1,0,1,0,0|1,0,1]=4 19603 B10R1.5 C#CCN1CCCC1CC 2230a_100000754278_100000038162 [0,1,0,1,0,0|1,0,1]=4 19604 B10R1.5 C#CCN1CCCC1CC 34a_100000754278_100000184674 [0,1,0,1,0,0|1,0,1]=4 19605 B10R1.5 C#CCN1CCC[C@@H]1CO 2230a_100000745186_100000038162 [0,1,0,1,0,0|0,0,2]=4 19606 B10R1.5 C#CCN1CCC[C@@H]1CO 34a_100000745186_100000184674 [0,1,0,1,0,0|0,0,2]=4 19607 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [0,1,0,1,0,0|1,0,1]=4 19608 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [0,1,0,1,0,0|1,0,1]=4 19609 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [0,1,0,1,0,0|1,0,1]=4 19610 B10R1.5 C=CCN1CCC[C@@H]1CO 2230a_100000745186_100000210623 [0,1,0,1,0,0|0,0,2]=4 19611 B10R1.5 C=CCN1CCC[C@@H]1CO 269982a_100000745186_100000210623 [0,1,0,1,0,0|0,0,2]=4 19612 B10R1.5 C=CCN1CCC[C@@H]1CO 34a_100000745186_100015514636 [0,1,0,1,0,0|0,0,2]=4 19613 B10R1.5 CCC1C=CCN1CCO 2230a_100000730860_100000211926 [0,1,0,1,0,0|0,0,2]=4 19614 B10R1.5 CCC1C=CCN1CCO 269982a_100000730860_100000211926 [0,1,0,1,0,0|0,0,2]=4 19615 B10R1.5 CCC1C=CCN1CCO 34a_100000730860_100000211926 [0,1,0,1,0,0|0,0,2]=4 19616 B10R1.5 CCC1CCCN1CC#N 2230a_100000754278_100011215382 [0,1,0,1,0,0|1,0,1]=4 19617 B10R1.5 CCC1CCCN1CC#N 269982a_100000754278_100011214920 [0,1,0,1,0,0|1,0,1]=4 19618 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [0,1,0,1,0,0|0,0,2]=4 19619 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [0,1,0,1,0,0|0,0,2]=4 19620 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [0,1,0,1,0,0|0,0,2]=4 19621 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [0,1,0,1,0,0|1,0,0]=3 19622 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [0,1,0,1,0,0|1,0,0]=3 19623 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [0,1,0,1,0,0|1,0,0]=3 19624 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,1,0,1,0,0|0,0,0]=2 19625 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,1,0,1,0,0|0,0,0]=2 19626 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,1,0,1,0,0|0,0,0]=2 19627 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [0,1,0,1,0,0|1,0,0]=3 19628 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [0,1,0,1,0,0|1,0,0]=3 19629 B10R1.5 CCC1CCCN1CSC 2230a_100000754278_100011218213 [0,1,0,1,0,0|1,1,0]=4 19630 B10R1.5 CCC1CCCN1CSC 269982a_100000754278_100011218213 [0,1,0,1,0,0|1,1,0]=4 19631 B10R1.5 CCC1CCCN1CSC 34a_100000754278_100011218213 [0,1,0,1,0,0|1,1,0]=4 19632 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [0,1,0,1,0,0|1,0,0]=3 19633 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [0,1,0,1,0,0|1,0,0]=3 19634 B10R1.5 CCCN1CCCC1C#N 2230a_100000701862_100000210303 [0,1,0,1,0,0|1,0,1]=4 19635 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,1,0,1,0,0|1,0,0]=3 19636 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,1,0,1,0,0|1,0,0]=3 19637 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,1,0,1,0,0|1,0,0]=3 19638 B10R1.5 CCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210303 [0,1,0,1,0,0|1,0,1]=4 19639 B10R1.5 CCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210303 [0,1,0,1,0,0|1,0,1]=4 19640 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,1,0,1,0,0|0,0,0]=2 19641 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,1,0,1,0,0|0,0,0]=2 19642 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,1,0,1,0,0|0,0,0]=2 19643 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [0,1,0,1,0,0|2,0,0]=4 19644 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [0,1,0,1,0,0|2,0,0]=4 19645 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [0,1,0,1,0,0|1,0,0]=3 19646 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [0,1,0,1,0,0|1,0,0]=3 19647 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [0,1,0,1,0,0|1,0,0]=3 19648 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [0,1,0,1,0,0|1,0,0]=3 19649 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [0,1,0,1,0,0|1,0,0]=3 19650 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [0,1,0,1,0,0|1,0,0]=3 19651 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [0,1,0,1,0,0|1,0,0]=3 19652 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,1,0,1,0,0|1,0,0]=3 19653 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,1,0,1,0,0|1,0,0]=3 19654 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210202 [0,1,0,1,0,0|1,0,1]=4 19655 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210202 [0,1,0,1,0,0|1,0,1]=4 19656 B10R1.5 COCN1CCC[C@@H]1CO 2230a_100000745186_100000766300 [0,1,0,1,0,0|1,0,0]=3 19657 B10R1.5 COCN1CCC[C@@H]1CO 269982a_100000745186_100000766300 [0,1,0,1,0,0|1,0,0]=3 19658 B10R1.5 COC[C@@H]1CCCN1CF 269982a_100020646714_100015361967 [0,1,0,1,0,0|2,0,0]=4 19659 B10R1.5 COC[C@@H]1CCCN1CF 34a_100020646714_100015361967 [0,1,0,1,0,0|2,0,0]=4 19660 B10R1.5 CSCN1CCC[C@@H]1CO 2230a_100000745186_100011218213 [0,1,0,1,0,0|1,0,0]=3 19661 B10R1.5 CSCN1CCC[C@@H]1CO 269982a_100000745186_100011218213 [0,1,0,1,0,0|1,0,0]=3 19662 B10R1.5 CSCN1CCC[C@@H]1CO 34a_100000745186_100011218213 [0,1,0,1,0,0|1,0,0]=3 19663 B10R1.5 N#CC1CCCN1CCO 2230a_100000701862_100000211926 [0,1,0,1,0,0|1,0,1]=4 19664 B10R1.5 N#CCN1CCC[C@@H]1CO 2230a_100000745186_100011215382 [0,1,0,1,0,0|1,0,1]=4 19665 B10R1.5 N#CCN1CCC[C@@H]1CO 269982a_100000745186_100011214920 [0,1,0,1,0,0|1,0,1]=4 19666 B10R1.5 N#C[C@H]1CCCN1CCO 2230a_106645074975_100000211926 [0,1,0,1,0,0|1,0,1]=4 19667 B10R1.5 N#C[C@H]1CCCN1CCO 269982a_106645074975_100000211926 [0,1,0,1,0,0|1,0,1]=4 19668 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [0,1,0,1,0,0|1,0,1]=4 19669 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [0,1,0,1,0,0|1,0,1]=4 19670 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [0,1,0,1,0,0|1,0,1]=4 19671 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [0,1,0,1,0,0|1,0,0]=3 19672 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [0,1,0,1,0,0|1,0,0]=3 19673 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [0,1,0,1,0,0|1,0,0]=3 19674 B10R1.5 OC[C@H]1CCCN1CCF 2230a_100000745186_100011217306 [0,1,0,1,0,0|1,0,0]=3 19675 B10R1.5 OC[C@H]1CCCN1CCF 269982a_100000745186_100011217306 [0,1,0,1,0,0|1,0,0]=3 19676 B10R1.5 OC[C@H]1CCCN1CCF 34a_100000745186_100011217306 [0,1,0,1,0,0|1,0,0]=3 19677 B10R1.20 C#CC1CCCCN1CC 2230a_200020621307_100000210202 [0,1,0,1,0,0|1,0,1]=4 19678 B10R1.20 C#CC1CCCCN1CC 269982a_200020621307_100000204670 [0,1,0,1,0,0|1,0,1]=4 19679 B10R1.20 C#CC1CCCCN1CC 34a_200020621307_100000210202 [0,1,0,1,0,0|1,0,1]=4 19680 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [0,1,0,1,0,0|1,0,0]=3 19681 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [0,1,0,1,0,0|1,0,0]=3 19682 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,1,0,1,0,0|0,0,0]=2 19683 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,1,0,1,0,0|0,0,0]=2 19684 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,1,0,1,0,0|0,0,0]=2 19685 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,1,0,1,0,0|0,0,0]=2 19686 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [0,1,0,1,0,0|1,0,0]=3 19687 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [0,1,0,1,0,0|1,0,0]=3 19688 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [0,1,0,1,0,0|1,0,0]=3 19689 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [0,1,0,1,0,0|1,0,0]=3 19690 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [0,1,0,1,0,0|1,0,0]=3 19691 B10R1.20 CCN1CCCCC1C#N 34a_100016989756_100000210202 [0,1,0,1,0,0|1,0,1]=4 19692 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,1,0,1,0,0|0,0,0]=2 19693 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,1,0,1,0,0|0,0,0]=2 19694 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,1,0,1,0,0|0,0,0]=2 19695 B10R1.20 CCN1CCOC[C@H]1CO 2230a_100000717676_100000210202 [0,1,0,1,0,0|1,0,0]=3 19696 B10R1.20 CCN1CCOC[C@H]1CO 269982a_100000717676_100000204670 [0,1,0,1,0,0|1,0,0]=3 19697 B10R1.20 CCN1CCOC[C@H]1CO 34a_100000717676_100000210202 [0,1,0,1,0,0|1,0,0]=3 19698 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [0,1,0,1,0,0|2,0,0]=4 19699 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [0,1,0,1,0,0|2,0,0]=4 19700 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [0,1,0,1,0,0|2,0,0]=4 19701 B10R1.20 CC[C@H]1COCCN1CF 269982a_100016988097_100015361967 [0,1,0,1,0,0|2,0,0]=4 19702 B10R1.20 CC[C@H]1COCCN1CF 34a_100016988097_100015361967 [0,1,0,1,0,0|2,0,0]=4 19703 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,1,0,1,0,0|0,0,0]=2 19704 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [0,1,0,1,0,0|1,0,0]=3 19705 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [0,1,0,1,0,0|1,0,0]=3 19706 B10R1.20 CNC1CCOCC1CO 2230a_214813039666_200000210301 [0,1,0,1,0,0|1,0,0]=3 19707 B10R1.20 CNC1CCOCC1CO 34a_214813039666_200000210301 [0,1,0,1,0,0|1,0,0]=3 19708 B10R1.20 CNC1CCOCC1OC 270004a_106832991635_100000095984 [0,1,0,1,0,0|2,0,0]=4 19709 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [0,1,0,1,0,0|1,0,0]=3 19710 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [0,1,0,1,0,0|1,0,0]=3 19711 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [0,1,0,1,0,0|1,0,0]=3 19712 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [0,1,0,1,0,0|1,0,0]=3 19713 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [0,1,0,1,0,0|1,0,0]=3 19714 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [0,1,0,1,0,0|1,0,0]=3 19715 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [0,1,0,1,0,0|1,0,0]=3 19716 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [0,1,0,1,0,0|1,0,0]=3 19717 B10R1.20 OCC1CCCCN1CF 269982a_100000210821_100015361967 [0,1,0,1,0,0|1,0,0]=3 19718 B10R1.20 OCC1CCCCN1CF 34a_100000210821_100015361967 [0,1,0,1,0,0|1,0,0]=3 19719 B10R1.20 OC[C@@H]1COCCN1CF 269982a_100000717676_100015361967 [0,1,0,1,0,0|2,0,0]=4 19720 B10R1.20 OC[C@@H]1COCCN1CF 34a_100000717676_100015361967 [0,1,0,1,0,0|2,0,0]=4 19721 B10R1.20 [13CH3]NC1CCOCC1CO 2230a_214813039666_200025704644 [0,1,0,1,0,0|1,0,0]=3 19722 B10R1.20 [13CH3]NC1CCOCC1CO 34a_214813039666_200025704644 [0,1,0,1,0,0|1,0,0]=3 19723 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [0,1,0,1,0,0|1,0,0]=3 19724 B10R1.37 C#CCCCN1CCC1C 269982a_100000755817_100011215417 [0,1,0,1,0,0|1,0,1]=4 19725 B10R1.37 C#CCCCN1CCC1C 34a_100000755817_100000695029 [0,1,0,1,0,0|1,0,1]=4 19726 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [0,1,0,1,0,0|1,0,1]=4 19727 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [0,1,0,1,0,0|1,0,1]=4 19728 B10R1.37 CC1CCN1CC#CCO 34a_100000755817_200000047223 [0,1,0,1,0,0|0,0,2]=4 19729 B10R1.37 CC1CCN1CCCC#N 269982a_100000755817_100000687738 [0,1,0,1,0,0|1,0,1]=4 19730 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,1,0,1,0,0|0,0,2]=4 19731 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [0,1,0,1,0,0|1,0,0]=3 19732 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [0,1,0,1,0,0|1,0,0]=3 19733 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,1,0,1,0,0|0,0,0]=2 19734 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,1,0,1,0,0|0,0,0]=2 19735 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,1,0,1,0,0|1,0,0]=3 19736 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,1,0,1,0,0|1,0,0]=3 19737 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|0,0,2]=4 19738 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 19739 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 19740 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|0,0,2]=4 19741 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|0,0,2]=4 19742 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|0,0,2]=4 19743 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [0,1,0,1,0,0|2,0,0]=4 19744 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [0,1,0,1,0,0|2,0,0]=4 19745 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|0,0,2]=4 19746 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|0,0,2]=4 19747 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [0,1,0,1,0,0|2,0,0]=4 19748 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [0,1,0,1,0,0|2,0,0]=4 19749 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,1,0,1,0,0|1,0,0]=3 19750 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,1,0,1,0,0|1,0,0]=3 19751 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|1,0,1]=4 19752 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|1,0,1]=4 19753 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [0,1,0,1,0,0|1,0,0]=3 19754 B10R1.57 BrCCCCOC1COC1 34a_100011216708_100009818527 [0,1,0,1,0,0|2,0,0]=4 19755 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [0,1,0,1,0,0|1,0,0]=3 19756 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [0,1,0,1,0,0|1,0,0]=3 19757 B10R1.57 BrCCCOCC1COC1 34a_100011217188_100010264016 [0,1,0,1,0,0|2,0,0]=4 19758 B10R1.57 C#CCCCCN1CCC1 269982a_100000754969_100010269958 [0,1,0,1,0,0|1,0,1]=4 19759 B10R1.57 C#CCCCNC1CCC1 2230a_100000749019_100000731252 [0,1,0,1,0,0|1,0,1]=4 19760 B10R1.57 C#CCCCNC1CCC1 270004a_100000718082_100000241760 [0,1,0,1,0,0|1,0,1]=4 19761 B10R1.57 C#CCCCNC1CCC1 34a_100000718082_100000749161 [0,1,0,1,0,0|1,0,1]=4 19762 B10R1.57 C#CCCCNC1CCC1 34a_100000749019_100000695029 [0,1,0,1,0,0|1,0,1]=4 19763 B10R1.57 C#CCCCOC1CCC1 34a_100000215630_100000749161 [0,1,0,1,0,0|1,0,1]=4 19764 B10R1.57 C#CCCCOC1CCC1 34a_100000748187_100000695029 [0,1,0,1,0,0|1,0,1]=4 19765 B10R1.57 C#CCCCSC1CCC1 62a_100011215417_100000749161 [0,1,0,1,0,0|1,0,1]=4 19766 B10R1.57 C#CCCNCC1CCC1 2230a_100000738700_100000688953 [0,1,0,1,0,0|1,0,1]=4 19767 B10R1.57 C#CCCNCC1CCC1 34a_100000738700_100000688953 [0,1,0,1,0,0|1,0,1]=4 19768 B10R1.57 C#CCCNCC1CCC1 34a_100000755551_100000763275 [0,1,0,1,0,0|1,0,1]=4 19769 B10R1.57 C#CCCNCC1CCO1 34a_100000755551_100000103362 [0,1,0,1,0,0|0,0,2]=4 19770 B10R1.57 C#CCCNC[C@@H]1CCO1 2230a_100020831831_100000688953 [0,1,0,1,0,0|0,0,2]=4 19771 B10R1.57 C#CCCNC[C@@H]1CCO1 34a_100020831831_100000688953 [0,1,0,1,0,0|0,0,2]=4 19772 B10R1.57 C#CCCOCC1CCC1 34a_100000760304_100000688953 [0,1,0,1,0,0|1,0,1]=4 19773 B10R1.57 C#CCCOCC1CCC1 34a_100011215631_100000763275 [0,1,0,1,0,0|1,0,1]=4 19774 B10R1.57 C#CCCOCC1CCO1 34a_100000039022_100000688953 [0,1,0,1,0,0|0,0,2]=4 19775 B10R1.57 C#CCCOCC1CCO1 34a_100011215631_100000103362 [0,1,0,1,0,0|0,0,2]=4 19776 B10R1.57 C#CCCSCC1CCC1 62a_100000688953_100000763275 [0,1,0,1,0,0|1,0,1]=4 19777 B10R1.57 C#CCCSCC1CCC1 62a_100000763275_100000688953 [0,1,0,1,0,0|1,0,1]=4 19778 B10R1.57 C#CCCSCC1CCO1 62a_100000103362_100000688953 [0,1,0,1,0,0|0,0,2]=4 19779 B10R1.57 C#CCCSCC1CCO1 62a_100000688953_100000103362 [0,1,0,1,0,0|0,0,2]=4 19780 B10R1.57 C/C=C/CNC[C@@H]1CCO1 34a_100020831831_100102629194 [0,1,0,1,0,0|0,0,2]=4 19781 B10R1.57 C/C=C/COCC1CCO1 34a_100000039022_100102629194 [0,1,0,1,0,0|0,0,2]=4 19782 B10R1.57 C/C=C/COCC1CCO1 34a_100016270725_100000103362 [0,1,0,1,0,0|0,0,2]=4 19783 B10R1.57 C/C=C/CSCC1CCO1 62a_100000103362_100102629194 [0,1,0,1,0,0|0,0,2]=4 19784 B10R1.57 C/C=C/CSCC1CCO1 62a_100102629194_100000103362 [0,1,0,1,0,0|0,0,2]=4 19785 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [0,1,0,1,0,0|1,0,1]=4 19786 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [0,1,0,1,0,0|1,0,1]=4 19787 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [0,1,0,1,0,0|1,0,1]=4 19788 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [0,1,0,1,0,0|1,0,1]=4 19789 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [0,1,0,1,0,0|1,0,1]=4 19790 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,1,0,1,0,0|1,0,1]=4 19791 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,1,0,1,0,0|1,0,1]=4 19792 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [0,1,0,1,0,0|1,0,1]=4 19793 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [0,1,0,1,0,0|1,0,1]=4 19794 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [0,1,0,1,0,0|1,0,1]=4 19795 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [0,1,0,1,0,0|1,0,1]=4 19796 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [0,1,0,1,0,0|1,0,1]=4 19797 B10R1.57 C=CCCNCC1CCO1 2230a_100015191253_100000103362 [0,1,0,1,0,0|0,0,2]=4 19798 B10R1.57 C=CCCNC[C@@H]1CCO1 2230a_100020831831_100000754431 [0,1,0,1,0,0|0,0,2]=4 19799 B10R1.57 C=CCCNC[C@@H]1CCO1 34a_100020831831_100000754431 [0,1,0,1,0,0|0,0,2]=4 19800 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [0,1,0,1,0,0|1,0,1]=4 19801 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [0,1,0,1,0,0|1,0,1]=4 19802 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [0,1,0,1,0,0|0,0,2]=4 19803 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [0,1,0,1,0,0|0,0,2]=4 19804 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [0,1,0,1,0,0|1,0,1]=4 19805 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [0,1,0,1,0,0|1,0,1]=4 19806 B10R1.57 C=CCCSCC1CCO1 62a_100000103362_100000754431 [0,1,0,1,0,0|0,0,2]=4 19807 B10R1.57 C=CCCSCC1CCO1 62a_100000754431_100000103362 [0,1,0,1,0,0|0,0,2]=4 19808 B10R1.57 CC#CCNCC1CCO1 2230a_100000685387_100000103362 [0,1,0,1,0,0|0,0,2]=4 19809 B10R1.57 CC#CCNCC1CCO1 34a_100000685387_100000103362 [0,1,0,1,0,0|0,0,2]=4 19810 B10R1.57 CC#CCNC[C@@H]1CCO1 2230a_100020831831_100000748600 [0,1,0,1,0,0|0,0,2]=4 19811 B10R1.57 CC#CCNC[C@@H]1CCO1 34a_100020831831_100000748600 [0,1,0,1,0,0|0,0,2]=4 19812 B10R1.57 CC#CCOCC1CCO1 34a_100000039022_100000748600 [0,1,0,1,0,0|0,0,2]=4 19813 B10R1.57 CC#CCOCC1CCO1 34a_100000761923_100000103362 [0,1,0,1,0,0|0,0,2]=4 19814 B10R1.57 CC#CCSCC1CCO1 62a_100000103362_100000748600 [0,1,0,1,0,0|0,0,2]=4 19815 B10R1.57 CC#CCSCC1CCO1 62a_100000748600_100000103362 [0,1,0,1,0,0|0,0,2]=4 19816 B10R1.57 CC=CCNC[C@@H]1CCO1 2230a_100020831831_100000070051 [0,1,0,1,0,0|0,0,2]=4 19817 B10R1.57 CC=CCNC[C@@H]1CCO1 34a_100020831831_100000070051 [0,1,0,1,0,0|0,0,2]=4 19818 B10R1.57 CC=CCOCC1CCO1 34a_100000039022_100000070051 [0,1,0,1,0,0|0,0,2]=4 19819 B10R1.57 CC=CCSCC1CCO1 62a_100000070051_100000103362 [0,1,0,1,0,0|0,0,2]=4 19820 B10R1.57 CC=CCSCC1CCO1 62a_100000103362_100000070051 [0,1,0,1,0,0|0,0,2]=4 19821 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,1,0,1,0,0|1,0,0]=3 19822 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,1,0,1,0,0|1,0,0]=3 19823 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,1,0,1,0,0|1,0,0]=3 19824 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,1,0,1,0,0|1,0,0]=3 19825 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,1,0,1,0,0|1,0,0]=3 19826 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,1,0,1,0,0|1,0,0]=3 19827 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,1,0,1,0,0|1,0,0]=3 19828 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,1,0,1,0,0|1,0,0]=3 19829 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,1,0,1,0,0|1,0,0]=3 19830 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,1,0,1,0,0|1,1,0]=4 19831 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,1,0,1,0,0|1,0,0]=3 19832 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,1,0,1,0,0|1,0,0]=3 19833 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,1,0,1,0,0|1,0,0]=3 19834 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,1,0,1,0,0|1,0,0]=3 19835 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,1,0,1,0,0|1,0,0]=3 19836 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,1,0,1,0,0|1,0,0]=3 19837 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,1,0,1,0,0|1,0,0]=3 19838 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|0,0,0]=2 19839 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|0,0,0]=2 19840 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,1,0,1,0,0|1,0,0]=3 19841 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,1,0,1,0,0|1,0,0]=3 19842 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,1,0,1,0,0|1,0,0]=3 19843 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,1,0,1,0,0|1,0,0]=3 19844 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|0,0,0]=2 19845 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|0,0,0]=2 19846 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,1,0,1,0,0|1,0,0]=3 19847 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,1,0,1,0,0|1,0,0]=3 19848 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,1,0,1,0,0|1,0,0]=3 19849 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|0,0,0]=2 19850 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|0,0,0]=2 19851 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|0,0,0]=2 19852 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,1,0,1,0,0|2,0,0]=4 19853 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,1,0,1,0,0|1,0,0]=3 19854 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,1,0,1,0,0|1,0,0]=3 19855 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,1,0,1,0,0|1,0,0]=3 19856 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [0,1,0,1,0,0|2,0,0]=4 19857 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,1,0,1,0,0|1,0,0]=3 19858 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,1,0,1,0,0|1,0,0]=3 19859 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|0,0,0]=2 19860 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|0,0,0]=2 19861 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,1,0,1,0,0|1,0,0]=3 19862 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,1,0,1,0,0|1,0,0]=3 19863 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,1,0,1,0,0|1,0,0]=3 19864 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [0,1,0,1,0,0|2,0,0]=4 19865 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [0,1,0,1,0,0|2,0,0]=4 19866 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [0,1,0,1,0,0|2,0,0]=4 19867 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [0,1,0,1,0,0|2,0,0]=4 19868 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [0,1,0,1,0,0|2,0,0]=4 19869 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [0,1,0,1,0,0|2,0,0]=4 19870 B10R1.57 CCOCCNC1COC1 2230a_100016991112_100011215890 [0,1,0,1,0,0|2,0,0]=4 19871 B10R1.57 CCOCCNC1COC1 34a_102516460346_100009818527 [0,1,0,1,0,0|2,0,0]=4 19872 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [0,1,0,1,0,0|2,0,0]=4 19873 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [0,1,0,1,0,0|2,0,0]=4 19874 B10R1.57 CCOCCOC1COC1 34a_100000210136_100009818527 [0,1,0,1,0,0|2,0,0]=4 19875 B10R1.57 CCOCCOC1COC1 7a_100000210136_100009818527 [0,1,0,1,0,0|2,0,0]=4 19876 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [0,1,0,1,0,0|2,0,0]=4 19877 B10R1.57 CCOCCSC1COC1 62a_100000210147_100009818527 [0,1,0,1,0,0|2,0,0]=4 19878 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [0,1,0,1,0,0|2,0,0]=4 19879 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [0,1,0,1,0,0|2,0,0]=4 19880 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [0,1,0,1,0,0|1,0,0]=3 19881 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [0,1,0,1,0,0|1,0,0]=3 19882 B10R1.57 CCOCSCC1COC1 62a_100000739092_100010264016 [0,1,0,1,0,0|2,0,0]=4 19883 B10R1.57 CCOCSCC1COC1 62a_100010264016_100000739092 [0,1,0,1,0,0|2,0,0]=4 19884 B10R1.57 CCSCCNC1CCC1 2230a_100000749019_100000757381 [0,1,0,1,0,0|2,0,0]=4 19885 B10R1.57 CCSCCNC1CCC1 270004a_100000106463_100000241760 [0,1,0,1,0,0|2,0,0]=4 19886 B10R1.57 CCSCCNC1CCC1 34a_100000749019_100000757381 [0,1,0,1,0,0|2,0,0]=4 19887 B10R1.57 CCSCCNC1COC1 2230a_100016991112_100000757381 [0,1,0,1,0,0|2,0,0]=4 19888 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [0,1,0,1,0,0|2,0,0]=4 19889 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [0,1,0,1,0,0|2,0,0]=4 19890 B10R1.57 CCSCCOC1COC1 34a_100000212035_100009818527 [0,1,0,1,0,0|2,0,0]=4 19891 B10R1.57 CCSCCOC1COC1 7a_100000212035_100009818527 [0,1,0,1,0,0|2,0,0]=4 19892 B10R1.57 CCSCCSC1CCC1 62a_100000757381_100000749161 [0,1,0,1,0,0|2,0,0]=4 19893 B10R1.57 CCSCCSC1COC1 62a_100000757381_100009818527 [0,1,0,1,0,0|2,0,0]=4 19894 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [0,1,0,1,0,0|2,0,0]=4 19895 B10R1.57 CNCCCOC1COC1 34a_100000213112_100009818527 [0,1,0,1,0,0|2,0,0]=4 19896 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,1,0,1,0,0|1,0,0]=3 19897 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [0,1,0,1,0,0|1,0,0]=3 19898 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [0,1,0,1,0,0|1,0,0]=3 19899 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [0,1,0,1,0,0|1,0,0]=3 19900 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [0,1,0,1,0,0|1,0,0]=3 19901 B10R1.57 COCCCNC1COC1 2230a_100016991112_100000740836 [0,1,0,1,0,0|2,0,0]=4 19902 B10R1.57 COCCCNC1COC1 34a_100150723488_100009818527 [0,1,0,1,0,0|2,0,0]=4 19903 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [0,1,0,1,0,0|1,0,0]=3 19904 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [0,1,0,1,0,0|1,0,0]=3 19905 B10R1.57 COCCCOC1COC1 34a_100000740835_100009818527 [0,1,0,1,0,0|2,0,0]=4 19906 B10R1.57 COCCCOC1CSC1 7a_100000072292_100000740836 [0,1,0,1,0,0|2,0,0]=4 19907 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [0,1,0,1,0,0|1,0,0]=3 19908 B10R1.57 COCCCSC1COC1 62a_100000709357_100009818527 [0,1,0,1,0,0|2,0,0]=4 19909 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,1,0,1,0,0|1,0,0]=3 19910 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,1,0,1,0,0|1,0,0]=3 19911 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,1,0,1,0,0|1,0,0]=3 19912 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,1,0,1,0,0|1,0,0]=3 19913 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [0,1,0,1,0,0|1,0,0]=3 19914 B10R1.57 COCCNCC1COC1 2230a_100000209980_100010264016 [0,1,0,1,0,0|2,0,0]=4 19915 B10R1.57 COCCNCC1COC1 2230a_100015281925_100011201679 [0,1,0,1,0,0|2,0,0]=4 19916 B10R1.57 COCCNCC1COC1 34a_100015281925_100011201679 [0,1,0,1,0,0|2,0,0]=4 19917 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [0,1,0,1,0,0|1,0,0]=3 19918 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [0,1,0,1,0,0|1,0,0]=3 19919 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,1,0,1,0,0|1,0,0]=3 19920 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,1,0,1,0,0|1,0,0]=3 19921 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [0,1,0,1,0,0|1,0,0]=3 19922 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [0,1,0,1,0,0|1,0,0]=3 19923 B10R1.57 COCCOCC1CNC1 34a_100016987283_100011201679 [0,1,0,1,0,0|2,0,0]=4 19924 B10R1.57 COCCOCC1COC1 34a_100000060846_100011201679 [0,1,0,1,0,0|2,0,0]=4 19925 B10R1.57 COCCOCC1COC1 34a_100000210237_100010264016 [0,1,0,1,0,0|2,0,0]=4 19926 B10R1.57 COCCOCN1CCC1 269982a_100000754969_100000231047 [0,1,0,1,0,0|2,0,0]=4 19927 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,1,0,1,0,0|1,0,0]=3 19928 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,1,0,1,0,0|1,0,0]=3 19929 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [0,1,0,1,0,0|1,0,0]=3 19930 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [0,1,0,1,0,0|1,0,0]=3 19931 B10R1.57 COCCSCC1COC1 62a_100000233755_100010264016 [0,1,0,1,0,0|2,0,0]=4 19932 B10R1.57 COCCSCC1COC1 62a_100010264016_100000233755 [0,1,0,1,0,0|2,0,0]=4 19933 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [0,1,0,1,0,0|1,1,0]=4 19934 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,1,0,1,0,0|1,1,0]=4 19935 B10R1.57 CSCCCOC1COC1 34a_100000690336_100009818527 [0,1,0,1,0,0|2,0,0]=4 19936 B10R1.57 CSCCCOC1COC1 7a_100000690336_100009818527 [0,1,0,1,0,0|2,0,0]=4 19937 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [0,1,0,1,0,0|1,1,0]=4 19938 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [0,1,0,1,0,0|1,1,0]=4 19939 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [0,1,0,1,0,0|1,1,0]=4 19940 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [0,1,0,1,0,0|1,1,0]=4 19941 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,1,0,1,0,0|1,0,0]=3 19942 B10R1.57 CSCCNCC1COC1 2230a_100015281925_100000751147 [0,1,0,1,0,0|2,0,0]=4 19943 B10R1.57 CSCCNCC1COC1 2230a_100020590264_100010264016 [0,1,0,1,0,0|2,0,0]=4 19944 B10R1.57 CSCCNCC1COC1 34a_100015281925_100000212216 [0,1,0,1,0,0|2,0,0]=4 19945 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,1,0,1,0,0|1,0,0]=3 19946 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,1,0,1,0,0|1,0,0]=3 19947 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [0,1,0,1,0,0|1,1,0]=4 19948 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [0,1,0,1,0,0|1,1,0]=4 19949 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [0,1,0,1,0,0|1,1,0]=4 19950 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,1,0,1,0,0|1,0,0]=3 19951 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,1,0,1,0,0|1,0,0]=3 19952 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,1,0,1,0,0|1,0,0]=3 19953 B10R1.57 CSCCOCC1COC1 34a_100000060846_100000212216 [0,1,0,1,0,0|2,0,0]=4 19954 B10R1.57 CSCCOCC1COC1 34a_100000230434_100010264016 [0,1,0,1,0,0|2,0,0]=4 19955 B10R1.57 CSCCOCC1COC1 7a_100000230434_100010264016 [0,1,0,1,0,0|2,0,0]=4 19956 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [0,1,0,1,0,0|1,1,0]=4 19957 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [0,1,0,1,0,0|1,1,0]=4 19958 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,1,0,1,0,0|1,0,0]=3 19959 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,1,0,1,0,0|1,0,0]=3 19960 B10R1.57 CSCCSCC1COC1 62a_100000212216_100010264016 [0,1,0,1,0,0|2,0,0]=4 19961 B10R1.57 CSCCSCC1COC1 62a_100010264016_100000751147 [0,1,0,1,0,0|2,0,0]=4 19962 B10R1.57 CSCOCCC1COC1 34a_100009855314_100011218213 [0,1,0,1,0,0|2,0,0]=4 19963 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [0,1,0,1,0,0|1,0,0]=3 19964 B10R1.57 ClCCCCOC1COC1 34a_100000210776_100009818527 [0,1,0,1,0,0|2,0,0]=4 19965 B10R1.57 ClCCCCOC1COC1 7a_100000210776_100009818527 [0,1,0,1,0,0|2,0,0]=4 19966 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [0,1,0,1,0,0|1,0,0]=3 19967 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [0,1,0,1,0,0|1,0,0]=3 19968 B10R1.57 ClCCCOCC1COC1 34a_100000230001_100010264016 [0,1,0,1,0,0|2,0,0]=4 19969 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,1,0,1,0,0|1,0,0]=3 19970 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [0,1,0,1,0,0|1,0,0]=3 19971 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [0,1,0,1,0,0|1,0,0]=3 19972 B10R1.57 FCCCCNC1COC1 2230a_100016991112_100000729493 [0,1,0,1,0,0|2,0,0]=4 19973 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [0,1,0,1,0,0|1,0,0]=3 19974 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [0,1,0,1,0,0|1,0,0]=3 19975 B10R1.57 FCCCCOC1COC1 34a_100011995726_100009818527 [0,1,0,1,0,0|2,0,0]=4 19976 B10R1.57 FCCCCOC1COC1 7a_100011995726_100009818527 [0,1,0,1,0,0|2,0,0]=4 19977 B10R1.57 FCCCCOC1CSC1 7a_100000072292_100000729493 [0,1,0,1,0,0|2,0,0]=4 19978 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [0,1,0,1,0,0|1,0,0]=3 19979 B10R1.57 FCCCCSC1COC1 62a_100000729493_100009818527 [0,1,0,1,0,0|2,0,0]=4 19980 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [0,1,0,1,0,0|1,0,0]=3 19981 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [0,1,0,1,0,0|1,0,0]=3 19982 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [0,1,0,1,0,0|1,0,0]=3 19983 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [0,1,0,1,0,0|1,0,0]=3 19984 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [0,1,0,1,0,0|1,0,0]=3 19985 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [0,1,0,1,0,0|1,0,0]=3 19986 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [0,1,0,1,0,0|1,0,0]=3 19987 B10R1.57 FCCCNCC1COC1 2230a_100015189416_100010264016 [0,1,0,1,0,0|2,0,0]=4 19988 B10R1.57 FCCCNCC1COC1 2230a_100015281925_100011934791 [0,1,0,1,0,0|2,0,0]=4 19989 B10R1.57 FCCCNCC1COC1 34a_100015189416_100010264016 [0,1,0,1,0,0|2,0,0]=4 19990 B10R1.57 FCCCNCC1COC1 34a_100015281925_100011934791 [0,1,0,1,0,0|2,0,0]=4 19991 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [0,1,0,1,0,0|1,0,0]=3 19992 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [0,1,0,1,0,0|1,0,0]=3 19993 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [0,1,0,1,0,0|1,0,0]=3 19994 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [0,1,0,1,0,0|1,0,0]=3 19995 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [0,1,0,1,0,0|1,0,0]=3 19996 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [0,1,0,1,0,0|1,0,0]=3 19997 B10R1.57 FCCCOCC1CNC1 34a_100016987283_100011934791 [0,1,0,1,0,0|2,0,0]=4 19998 B10R1.57 FCCCOCC1COC1 34a_100000060846_100011934791 [0,1,0,1,0,0|2,0,0]=4 19999 B10R1.57 FCCCOCC1COC1 34a_100000759539_100010264016 [0,1,0,1,0,0|2,0,0]=4 20000 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [0,1,0,1,0,0|1,0,0]=3 20001 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [0,1,0,1,0,0|1,0,0]=3 20002 B10R1.57 FCCCSCC1CCO1 62a_100000103362_100011934791 [0,1,0,1,0,0|1,0,0]=3 20003 B10R1.57 FCCCSCC1CCO1 62a_100011934791_100000103362 [0,1,0,1,0,0|1,0,0]=3 20004 B10R1.57 FCCCSCC1COC1 62a_100010264016_100011934791 [0,1,0,1,0,0|2,0,0]=4 20005 B10R1.57 FCCCSCC1COC1 62a_100011934791_100010264016 [0,1,0,1,0,0|2,0,0]=4 20006 B10R1.57 FCCOCCC1COC1 34a_100009855314_100011217306 [0,1,0,1,0,0|2,0,0]=4 20007 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [0,1,0,1,0,0|1,0,0]=3 20008 B10R1.57 ICCCCOC1COC1 34a_200012148704_100009818527 [0,1,0,1,0,0|2,0,0]=4 20009 B10R1.57 N#CCCCCN1CCC1 269982a_100000754969_100011219923 [0,1,0,1,0,0|1,0,1]=4 20010 B10R1.57 N#CCCCNC1CCC1 2230a_100000749019_100000687738 [0,1,0,1,0,0|1,0,1]=4 20011 B10R1.57 N#CCCCSC1CCC1 62a_100000687738_100000749161 [0,1,0,1,0,0|1,0,1]=4 20012 B10R1.57 N#CCCNCC1CCC1 2230a_100000738700_100011215226 [0,1,0,1,0,0|1,0,1]=4 20013 B10R1.57 N#CCCNC[C@@H]1CCO1 2230a_100020831831_100011215226 [0,1,0,1,0,0|1,0,1]=4 20014 B10R1.57 N#CCCSCC1CCC1 62a_100000763275_100011215226 [0,1,0,1,0,0|1,0,1]=4 20015 B10R1.57 N#CCCSCC1CCC1 62a_100011215226_100000763275 [0,1,0,1,0,0|1,0,1]=4 20016 B10R1.57 N#CCCSCC1CCO1 62a_100000103362_100011215226 [0,1,0,1,0,0|1,0,1]=4 20017 B10R1.57 N#CCCSCC1CCO1 62a_100011215226_100000103362 [0,1,0,1,0,0|1,0,1]=4 20018 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|1,0,0]=3 20019 B10R1.57 NCCCCOC1COC1 34a_100000750430_100009818527 [0,1,0,1,0,0|2,0,0]=4 20020 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [0,1,0,1,0,0|1,0,0]=3 20021 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [0,1,0,1,0,0|1,0,0]=3 20022 B10R1.57 NCCCOCC1COC1 34a_100000182051_100010264016 [0,1,0,1,0,0|2,0,0]=4 20023 B10R1.57 NOCCOCC1CCC1 34a_100000700252_100000763275 [0,1,0,1,0,0|1,0,0]=3 20024 B10R1.57 NOCCOCC1CCO1 34a_100000700252_100000103362 [0,1,0,1,0,0|2,0,0]=4 20025 B10R1.57 NOCCOCC1COC1 34a_100000700252_100010264016 [0,1,0,1,0,0|2,0,0]=4 20026 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,1,0,1,0,0|0,0,2]=4 20027 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,1,0,1,0,0|0,0,2]=4 20028 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,1,0,1,0,0|0,0,2]=4 20029 B10R1.57 OCC#CCNC1CCC1 2230a_100000749019_200000047223 [0,1,0,1,0,0|0,0,2]=4 20030 B10R1.57 OCC#CCNC1CCC1 34a_100000749019_200000047223 [0,1,0,1,0,0|0,0,2]=4 20031 B10R1.57 OCC#CCOC1CCC1 34a_100000748187_200000047223 [0,1,0,1,0,0|0,0,2]=4 20032 B10R1.57 OCC#CCSC1CCC1 62a_200000047223_100000749161 [0,1,0,1,0,0|0,0,2]=4 20033 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,1,0,1,0,0|0,0,0]=2 20034 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,1,0,1,0,0|0,0,0]=2 20035 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,1,0,1,0,0|0,0,0]=2 20036 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,1,0,1,0,0|0,0,0]=2 20037 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|0,0,0]=2 20038 B10R1.57 OCCCCNC1COC1 2230a_100016991112_100000210776 [0,1,0,1,0,0|1,0,0]=3 20039 B10R1.57 OCCCCNC1COC1 34a_100000750430_100009818527 [0,1,0,1,0,0|1,0,0]=3 20040 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,1,0,1,0,0|0,0,0]=2 20041 B10R1.57 OCCCCOC1CSC1 7a_100000072292_100000210776 [0,1,0,1,0,0|1,0,0]=3 20042 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,1,0,1,0,0|0,0,0]=2 20043 B10R1.57 OCCCCSC1COC1 62a_100000210776_100009818527 [0,1,0,1,0,0|1,0,0]=3 20044 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,1,0,1,0,0|0,0,0]=2 20045 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,1,0,1,0,0|0,0,0]=2 20046 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,1,0,1,0,0|0,0,0]=2 20047 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [0,1,0,1,0,0|1,0,0]=3 20048 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [0,1,0,1,0,0|1,0,0]=3 20049 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,1,0,1,0,0|1,0,0]=3 20050 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,1,0,1,0,0|1,0,0]=3 20051 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,1,0,1,0,0|0,0,0]=2 20052 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,1,0,1,0,0|1,0,0]=3 20053 B10R1.57 OCCCOCC1CNC1 34a_100016987283_100000230001 [0,1,0,1,0,0|1,0,0]=3 20054 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,1,0,1,0,0|1,0,0]=3 20055 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,1,0,1,0,0|0,0,0]=2 20056 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,1,0,1,0,0|0,0,0]=2 20057 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,1,0,1,0,0|1,0,0]=3 20058 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,1,0,1,0,0|1,0,0]=3 20059 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [0,1,0,1,0,0|1,0,0]=3 20060 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [0,1,0,1,0,0|1,0,0]=3 20061 B10R1.57 OCCNN=CC1CCC1 4a_100000210001_100000753134 [0,1,0,1,0,0|1,0,1]=4 20062 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [0,1,0,1,0,0|1,0,0]=3 20063 B10R1.57 OCCOCCN1CCC1 269982a_100000754969_100011215305 [0,1,0,1,0,0|1,0,0]=3 20064 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [0,1,0,1,0,0|1,0,0]=3 20065 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [0,1,0,1,0,0|1,0,0]=3 20066 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [0,1,0,1,0,0|1,0,0]=3 20067 B10R1.132 COCC1CCN1CCF 2230a_100015195929_100011217306 [0,1,0,1,0,0|2,0,0]=4 20068 B10R1.132 COCC1CCN1CCF 269982a_100015195929_100011217306 [0,1,0,1,0,0|2,0,0]=4 20069 B10R1.132 COCC1CCN1CCF 34a_100015195929_100011217306 [0,1,0,1,0,0|2,0,0]=4 20070 B10R1.132 COCC1CCN1CCO 2230a_100015195929_100000211926 [0,1,0,1,0,0|1,0,0]=3 20071 B10R1.132 COCC1CCN1CCO 269982a_100015195929_100000211926 [0,1,0,1,0,0|1,0,0]=3 20072 B10R1.132 COCC1CCN1CCO 34a_100015195929_100000211926 [0,1,0,1,0,0|1,0,0]=3 20073 B10R1.132 COCC1CCN1COC 2230a_100015195929_100000766300 [0,1,0,1,0,0|2,0,0]=4 20074 B10R1.132 COCC1CCN1COC 269982a_100015195929_100000766300 [0,1,0,1,0,0|2,0,0]=4 20075 B10R1.132 COCC1CCN1CSC 2230a_100015195929_100011218213 [0,1,0,1,0,0|2,0,0]=4 20076 B10R1.132 COCC1CCN1CSC 269982a_100015195929_100011218213 [0,1,0,1,0,0|2,0,0]=4 20077 B10R1.132 COCC1CCN1CSC 34a_100015195929_100011218213 [0,1,0,1,0,0|2,0,0]=4 20078 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,1,0,1,0,0|1,0,0]=3 20079 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,1,0,1,0,0|1,0,0]=3 20080 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,1,0,1,0,0|1,0,0]=3 20081 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,1,0,1,0,0|1,0,0]=3 20082 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,1,0,1,0,0|1,0,0]=3 20083 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,1,0,1,0,0|1,0,0]=3 20084 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,2]=4 20085 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,1,0,1,0,0|0,0,2]=4 20086 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,1,0,1,0,0|0,0,2]=4 20087 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,0]=2 20088 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,0]=2 20089 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,1,0,1,0,0|1,0,0]=3 20090 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,1,0,1,0,0|1,0,0]=3 20091 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,1,0,1,0,0|1,0,0]=3 20092 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,1,0,1,0,0|1,0,0]=3 20093 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,2]=4 20094 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,1,0,1,0,0|0,0,2]=4 20095 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,0]=2 20096 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,0]=2 20097 B10R1.1 C=C1CCN(CC1)CCO 2230a_100000752442_100000211926 [0,1,0,1,0,0|1,0,1]=4 20098 B10R1.1 C=C1CCN(CC1)CCO 269982a_100000752442_100000211926 [0,1,0,1,0,0|1,0,1]=4 20099 B10R1.1 C=C1CCN(CC1)CCO 34a_100000752442_100000211926 [0,1,0,1,0,0|1,0,1]=4 20100 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,1,0,1,0,0|2,0,0]=4 20101 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,1,0,1,0,0|2,0,0]=4 20102 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,1,0,0|2,0,0]=4 20103 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,1,0,1,0,0|2,0,0]=4 20104 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,1,0,1,0,0|2,0,0]=4 20105 B10R1.1 CC1CCC(CC1)SCF 62a_100015361967_200011216234 [0,1,0,1,0,0|2,0,0]=4 20106 B10R1.1 CC1CCN(CC1)CCF 2230a_100000188429_100011217306 [0,1,0,1,0,0|2,0,0]=4 20107 B10R1.1 CC1CCN(CC1)CCF 269982a_100000188429_100011217306 [0,1,0,1,0,0|2,0,0]=4 20108 B10R1.1 CC1CCN(CC1)CCF 34a_100000188429_100011217306 [0,1,0,1,0,0|2,0,0]=4 20109 B10R1.1 CC1CCN(CC1)CCO 2230a_100000188429_100000211926 [0,1,0,1,0,0|1,0,0]=3 20110 B10R1.1 CC1CCN(CC1)CCO 269982a_100000188429_100000211926 [0,1,0,1,0,0|1,0,0]=3 20111 B10R1.1 CC1CCN(CC1)CCO 34a_100000188429_100000211926 [0,1,0,1,0,0|1,0,0]=3 20112 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 20113 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 20114 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 20115 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 20116 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 20117 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 20118 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,1,0,1,0,0|2,0,0]=4 20119 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,1,0,1,0,0|2,0,0]=4 20120 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,1,0,1,0,0|2,0,0]=4 20121 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [0,1,0,1,0,0|2,0,0]=4 20122 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [0,1,0,1,0,0|2,0,0]=4 20123 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [0,1,0,1,0,0|2,0,0]=4 20124 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [0,1,0,1,0,0|2,0,0]=4 20125 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [0,1,0,1,0,0|2,0,0]=4 20126 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,1,0,1,0,0|2,0,0]=4 20127 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,1,0,1,0,0|2,0,0]=4 20128 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,1,0,1,0,0|2,0,0]=4 20129 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,1,0,1,0,0|2,0,0]=4 20130 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,1,0,1,0,0|2,0,0]=4 20131 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,1,0,1,0,0|2,0,0]=4 20132 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,1,0,1,0,0|2,0,0]=4 20133 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,1,0,1,0,0|2,0,0]=4 20134 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,1,0,1,0,0|2,0,0]=4 20135 B10R1.1 CN1CCC(CC1)CCO 2230a_100015190746_200000210301 [0,1,0,1,0,0|1,0,0]=3 20136 B10R1.1 CN1CCC(CC1)CCO 269982a_100015190746_200000210301 [0,1,0,1,0,0|1,0,0]=3 20137 B10R1.1 CN1CCC(CC1)CCO 34a_100015190746_200000210301 [0,1,0,1,0,0|1,0,0]=3 20138 B10R1.1 CN1CCN(CC1)CCO 2230a_100000188432_100000211926 [0,1,0,1,0,0|2,0,0]=4 20139 B10R1.1 CN1CCN(CC1)CCO 2230a_100000210920_200000210301 [0,1,0,1,0,0|2,0,0]=4 20140 B10R1.1 CN1CCN(CC1)CCO 269982a_100000188432_100000211926 [0,1,0,1,0,0|2,0,0]=4 20141 B10R1.1 CN1CCN(CC1)CCO 269982a_100000210920_200000210301 [0,1,0,1,0,0|2,0,0]=4 20142 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,1,0,1,0,0|2,0,0]=4 20143 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,1,0,1,0,0|2,0,0]=4 20144 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,1,0,0|2,0,0]=4 20145 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,1,0,0|2,0,0]=4 20146 B10R1.1 C[C@H]1CC[C@@H](CC1)NCF 34a_100020625639_100015361967 [0,1,0,1,0,0|2,0,0]=4 20147 B10R1.1 FCCN1CCC(CC1)F 2230a_100015193889_100011217306 [0,1,0,1,0,0|2,0,0]=4 20148 B10R1.1 FCCN1CCC(CC1)F 269982a_100015193889_100011217306 [0,1,0,1,0,0|2,0,0]=4 20149 B10R1.1 FCCN1CCC(CC1)F 34a_100015193889_100011217306 [0,1,0,1,0,0|2,0,0]=4 20150 B10R1.1 N[C@H]1CC[C@H](CC1)OCF 34a_100020628982_100015361967 [0,1,0,1,0,0|2,0,0]=4 20151 B10R1.1 O=S1CCN(CC1)CCO 2230a_100000752083_100000211926 [0,1,0,1,0,0|2,0,0]=4 20152 B10R1.1 O=S1CCN(CC1)CCO 269982a_100000752083_100000211926 [0,1,0,1,0,0|2,0,0]=4 20153 B10R1.1 OC1CCN(CC1)CCF 2230a_100025773856_100011217306 [0,1,0,1,0,0|2,0,0]=4 20154 B10R1.1 OC1CCN(CC1)CCF 269982a_100025773856_100011217306 [0,1,0,1,0,0|2,0,0]=4 20155 B10R1.1 OCCN1CCC(CC1)F 2230a_100015193889_100000211926 [0,1,0,1,0,0|1,0,0]=3 20156 B10R1.1 OCCN1CCC(CC1)F 269982a_100015193889_100000211926 [0,1,0,1,0,0|1,0,0]=3 20157 B10R1.1 OCCN1CCC(CC1)F 34a_100015193889_100000211926 [0,1,0,1,0,0|1,0,0]=3 20158 B10R1.1 OCCN1CCC(CC1)O 2230a_100025773856_100000211926 [0,1,0,1,0,0|1,0,0]=3 20159 B10R1.1 OCCN1CCC(CC1)O 269982a_100025773856_100000211926 [0,1,0,1,0,0|1,0,0]=3 20160 B10R1.1 [13CH3]N1CCC(CC1)CCO 2230a_100015190746_200025704644 [0,1,0,1,0,0|1,0,0]=3 20161 B10R1.1 [13CH3]N1CCC(CC1)CCO 269982a_100015190746_200025704644 [0,1,0,1,0,0|1,0,0]=3 20162 B10R1.1 [13CH3]N1CCC(CC1)CCO 34a_100015190746_200025704644 [0,1,0,1,0,0|1,0,0]=3 20163 B10R1.1 [13CH3]N1CCN(CC1)CCO 2230a_100000210920_200025704644 [0,1,0,1,0,0|2,0,0]=4 20164 B10R1.1 [13CH3]N1CCN(CC1)CCO 269982a_100000210920_200025704644 [0,1,0,1,0,0|2,0,0]=4 20165 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,1,0,0|2,0,0]=4 20166 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,1,0,1,0,0|2,0,0]=4 20167 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,1,0,1,0,0|2,0,0]=4 20168 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 20169 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 20170 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,1,0,1,0,0|2,0,0]=4 20171 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,1,0,1,0,0|2,0,0]=4 20172 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 20173 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 20174 B10R1.15 CC(CO)N1CCCOC1 2230a_100000131196_100012180447 [0,1,0,1,0,0|2,0,0]=4 20175 B10R1.15 CC(CO)N1CCCOC1 34a_100000131196_100012180447 [0,1,0,1,0,0|2,0,0]=4 20176 B10R1.15 CC(CO)N1CCOCC1 2230a_100015191051_100012180447 [0,1,0,1,0,0|2,0,0]=4 20177 B10R1.15 CC(CO)N1CCOCC1 34a_100015191051_100012180447 [0,1,0,1,0,0|2,0,0]=4 20178 B10R1.15 CC(CO)N1CCSCC1 2230a_100000737611_100012180447 [0,1,0,1,0,0|2,0,0]=4 20179 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 20180 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 20181 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|1,0,1]=4 20182 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|1,0,1]=4 20183 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|0,0,1]=3 20184 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,1,0,0|1,0,1]=4 20185 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 20186 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 20187 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 20188 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,1,0,0|2,0,0]=4 20189 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,1,0,0|2,0,0]=4 20190 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 20191 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 20192 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 20193 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 20194 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 20195 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,1,0,1,0,0|2,0,0]=4 20196 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,1,0,1,0,0|2,0,0]=4 20197 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|1,0,1]=4 20198 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 20199 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 20200 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|1,0,1]=4 20201 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,1,0,0|2,0,0]=4 20202 B10R1.15 CNC(C)C1CCCCN1 269862a_106832991636_200011997754 [0,1,0,1,0,0|2,0,0]=4 20203 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,1,0,0|2,0,0]=4 20204 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,1,0,0|2,0,0]=4 20205 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 20206 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 20207 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,1,0,0|2,0,0]=4 20208 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,1,0,0|2,0,0]=4 20209 B10R1.15 C[C@H](CO)N1CCCOC1 269982a_100000131196_100016084084 [0,1,0,1,0,0|2,0,0]=4 20210 B10R1.15 C[C@H](CO)N1CCOCC1 269982a_100015191051_100016084084 [0,1,0,1,0,0|2,0,0]=4 20211 B10R1.15 C[C@H](CO)N1CCSCC1 269982a_100000737611_100016084084 [0,1,0,1,0,0|2,0,0]=4 20212 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|1,0,1]=4 20213 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|1,0,1]=4 20214 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|0,0,1]=3 20215 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,1]=4 20216 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|1,0,1]=4 20217 B10R1.27 CC(CF)OC1CCCC1 34a_100016041109_100000179811 [0,1,0,1,0,0|2,0,0]=4 20218 B10R1.27 CC(CF)OC1CCCC1 7a_100016041109_100000179811 [0,1,0,1,0,0|2,0,0]=4 20219 B10R1.27 CC(CN)OC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|2,0,0]=4 20220 B10R1.27 CC(CO)NC1CCCC1 2230a_100000211070_100012180447 [0,1,0,1,0,0|1,0,0]=3 20221 B10R1.27 CC(CO)NC1CCCC1 34a_100000211070_100012180447 [0,1,0,1,0,0|1,0,0]=3 20222 B10R1.27 CC(CO)N[C@@H]1CCOC1 2230a_200015188469_100012180447 [0,1,0,1,0,0|2,0,0]=4 20223 B10R1.27 CC(CO)N[C@H]1CCOC1 2230a_100015188467_100012180447 [0,1,0,1,0,0|2,0,0]=4 20224 B10R1.27 CC(CO)N[C@H]1CCOC1 34a_100015188467_100012180447 [0,1,0,1,0,0|2,0,0]=4 20225 B10R1.27 CC(CO)OC1CCCC1 34a_100000210269_100012180447 [0,1,0,1,0,0|1,0,0]=3 20226 B10R1.27 CC(CO)OC1CCCC1 7a_100000210269_100012180447 [0,1,0,1,0,0|1,0,0]=3 20227 B10R1.27 CC(CO)OC1CCCO1 34a_100000085407_100012180447 [0,1,0,1,0,0|2,0,0]=4 20228 B10R1.27 CC(CO)OC1CCSC1 7a_100011232664_100012180447 [0,1,0,1,0,0|2,0,0]=4 20229 B10R1.27 CC(CO)O[C@H]1CCOC1 34a_100000717292_100012180447 [0,1,0,1,0,0|2,0,0]=4 20230 B10R1.27 CC(CO)SC1CCCC1 62a_100012180447_100000179811 [0,1,0,1,0,0|1,0,0]=3 20231 B10R1.27 CC(CO)SC1CCOC1 62a_100012180447_100000690089 [0,1,0,1,0,0|2,0,0]=4 20232 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|1,0,1]=4 20233 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|1,0,1]=4 20234 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|0,0,1]=3 20235 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,1,0,1,0,0|1,0,1]=4 20236 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [0,1,0,1,0,0|2,0,0]=4 20237 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [0,1,0,1,0,0|2,0,0]=4 20238 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [0,1,0,1,0,0|2,0,0]=4 20239 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [0,1,0,1,0,0|2,0,0]=4 20240 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [0,1,0,1,0,0|2,0,0]=4 20241 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [0,1,0,1,0,0|2,0,0]=4 20242 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [0,1,0,1,0,0|2,0,0]=4 20243 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,1,0,1,0,0|2,0,0]=4 20244 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,1,0,1,0,0|2,0,0]=4 20245 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,1,0,1,0,0|2,0,0]=4 20246 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [0,1,0,1,0,0|1,0,0]=3 20247 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [0,1,0,1,0,0|2,0,0]=4 20248 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [0,1,0,1,0,0|2,0,0]=4 20249 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,1,0,1,0,0|2,0,0]=4 20250 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,1,0,1,0,0|2,0,0]=4 20251 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 20252 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 20253 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [0,1,0,1,0,0|1,0,0]=3 20254 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [0,1,0,1,0,0|1,0,0]=3 20255 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [0,1,0,1,0,0|1,0,0]=3 20256 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [0,1,0,1,0,0|1,0,0]=3 20257 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [0,1,0,1,0,0|1,0,0]=3 20258 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [0,1,0,1,0,0|1,0,0]=3 20259 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [0,1,0,1,0,0|1,0,0]=3 20260 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [0,1,0,1,0,0|1,0,0]=3 20261 B10R1.27 CCN(C)CC1OCCO1 2230a_100000225621_100000755774 [0,1,0,1,0,0|2,0,0]=4 20262 B10R1.27 CCN(C)CC1OCCO1 2230a_200000032744_100000210202 [0,1,0,1,0,0|2,0,0]=4 20263 B10R1.27 CCN(C)CC1OCCO1 269982a_100000225621_100000755774 [0,1,0,1,0,0|2,0,0]=4 20264 B10R1.27 CCN(C)CC1OCCO1 269982a_200000032744_100000204670 [0,1,0,1,0,0|2,0,0]=4 20265 B10R1.27 CCN(C)CC1OCCO1 34a_200000032744_100000210202 [0,1,0,1,0,0|2,0,0]=4 20266 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [0,1,0,1,0,0|1,0,0]=3 20267 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [0,1,0,1,0,0|1,0,0]=3 20268 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [0,1,0,1,0,0|1,0,0]=3 20269 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [0,1,0,1,0,0|2,0,0]=4 20270 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [0,1,0,1,0,0|2,0,0]=4 20271 B10R1.27 CN(CF)CC1CCCO1 269982a_100102946541_100015361967 [0,1,0,1,0,0|2,0,0]=4 20272 B10R1.27 CN(CF)CC1CCCO1 34a_100102946541_100015361967 [0,1,0,1,0,0|2,0,0]=4 20273 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [0,1,0,1,0,0|2,0,0]=4 20274 B10R1.27 C[C@@H](CO)CN1CCCC1 2230a_100000188435_100000059175 [0,1,0,1,0,0|1,0,0]=3 20275 B10R1.27 C[C@@H](CO)CN1CCCC1 269982a_100000188435_100000059175 [0,1,0,1,0,0|1,0,0]=3 20276 B10R1.27 C[C@@H](CO)CN1CCSC1 2230a_100011215254_100000059175 [0,1,0,1,0,0|2,0,0]=4 20277 B10R1.27 C[C@@H](CO)CN1CCSC1 269982a_100011215254_100000059175 [0,1,0,1,0,0|2,0,0]=4 20278 B10R1.27 C[C@H](CF)NC1CCCC1 270004a_100102880703_100000210133 [0,1,0,1,0,0|2,0,0]=4 20279 B10R1.27 C[C@H](CO)NC1CCCC1 2230a_100000737577_100000179811 [0,1,0,1,0,0|1,0,0]=3 20280 B10R1.27 C[C@H](CO)NC1CCCC1 270004a_100000737577_100000210133 [0,1,0,1,0,0|1,0,0]=3 20281 B10R1.27 C[C@H](CO)NC1CCOC1 2230a_100000737577_100000731011 [0,1,0,1,0,0|2,0,0]=4 20282 B10R1.27 C[C@H](CO)NC1CCOC1 270004a_100000737577_100000752484 [0,1,0,1,0,0|2,0,0]=4 20283 B10R1.27 C[C@H](CO)NC1CCSC1 270004a_100000737577_100000212027 [0,1,0,1,0,0|2,0,0]=4 20284 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100011217020_100016084084 [0,1,0,1,0,0|1,0,0]=3 20285 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100016084084_100000179811 [0,1,0,1,0,0|1,0,0]=3 20286 B10R1.27 C[C@H](CO)SC1CCOC1 62a_100016084084_100000690089 [0,1,0,1,0,0|2,0,0]=4 20287 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|1,0,1]=4 20288 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|0,0,1]=3 20289 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,1]=4 20290 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|1,0,1]=4 20291 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|1,0,1]=4 20292 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|1,0,1]=4 20293 B10R1.27 OCC(O)CN1CCCC1 2230a_100000188435_100011219619 [0,1,0,1,0,0|1,0,0]=3 20294 B10R1.27 OCC(O)CN1CCSC1 2230a_100011215254_100011219619 [0,1,0,1,0,0|2,0,0]=4 20295 B10R1.27 OC[C@H](O)CN1CCCC1 2230a_100000188435_100009815848 [0,1,0,1,0,0|1,0,0]=3 20296 B10R1.27 OC[C@H](O)CN1CCSC1 2230a_100011215254_100009815848 [0,1,0,1,0,0|2,0,0]=4 20297 B10R1.27 O[C@@H](CF)CN1CCCC1 2230a_100000188435_100015614560 [0,1,0,1,0,0|2,0,0]=4 20298 B10R1.40 CCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210202 [0,1,0,1,0,0|1,0,0]=3 20299 B10R1.40 CCN1CCC[C@@]1(C)CO 269982a_100016195882_100000204670 [0,1,0,1,0,0|1,0,0]=3 20300 B10R1.40 CCN1CCC[C@@]1(C)CO 34a_100016195882_100000210202 [0,1,0,1,0,0|1,0,0]=3 20301 B10R1.40 C[C@]1(CCCN1CF)CO 269982a_100016195882_100015361967 [0,1,0,1,0,0|2,0,0]=4 20302 B10R1.40 C[C@]1(CCCN1CF)CO 34a_100016195882_100015361967 [0,1,0,1,0,0|2,0,0]=4 20303 B10R1.70 CC1(CC1)CNCCCF 2230a_100000766693_100011934791 [0,1,0,1,0,0|2,0,0]=4 20304 B10R1.70 CC1(CC1)CNCCCO 2230a_100000766693_100000230001 [0,1,0,1,0,0|1,0,0]=3 20305 B10R1.70 CC1(CC1)COCCCF 7a_100000698024_100011934791 [0,1,0,1,0,0|2,0,0]=4 20306 B10R1.70 CC1(CC1)COCCCO 7a_100000698024_100011215043 [0,1,0,1,0,0|1,0,0]=3 20307 B10R1.70 CC1(CC1)NCCCCF 2230a_100000757604_100000729493 [0,1,0,1,0,0|2,0,0]=4 20308 B10R1.70 CC1(CC1)NCCCCO 2230a_100000757604_100000210776 [0,1,0,1,0,0|1,0,0]=3 20309 B10R1.70 CC1(CC1)OCCCCF 7a_100011725673_100000729493 [0,1,0,1,0,0|2,0,0]=4 20310 B10R1.70 CC1(CC1)OCCCCO 7a_100011725673_100000210776 [0,1,0,1,0,0|1,0,0]=3 20311 B10R1.70 CC1(CO1)CNCCCF 34a_100015189416_100000760498 [0,1,0,1,0,0|2,0,0]=4 20312 B10R1.70 CC1(CO1)COCCCBr 34a_100011217188_100000760498 [0,1,0,1,0,0|2,0,0]=4 20313 B10R1.70 CC1(CO1)COCCCCl 34a_100000230001_100000760498 [0,1,0,1,0,0|2,0,0]=4 20314 B10R1.70 CC1(CO1)COCCCF 34a_100000759539_100000760498 [0,1,0,1,0,0|2,0,0]=4 20315 B10R1.70 CC1(CO1)COCCCN 34a_100000182051_100000760498 [0,1,0,1,0,0|2,0,0]=4 20316 B10R1.70 CC1(CO1)CSCCCF 62a_100000760498_100011934791 [0,1,0,1,0,0|2,0,0]=4 20317 B10R1.70 CC1(CO1)CSCCCF 62a_100011934791_100000760498 [0,1,0,1,0,0|2,0,0]=4 20318 B10R1.70 CC1(CO1)CSCCCO 62a_100000760498_100011215043 [0,1,0,1,0,0|2,0,0]=4 20319 B10R1.70 CC1(CO1)CSCCCO 62a_100011215043_100000760498 [0,1,0,1,0,0|2,0,0]=4 20320 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [0,1,0,1,0,0|2,0,0]=4 20321 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [0,1,0,1,0,0|2,0,0]=4 20322 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [0,1,0,1,0,0|2,0,0]=4 20323 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,1,0,1,0,0|2,0,0]=4 20324 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [0,1,0,1,0,0|2,0,0]=4 20325 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [0,1,0,1,0,0|2,0,0]=4 20326 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [0,1,0,1,0,0|2,0,0]=4 20327 B10R1.70 CCCCOCC1(CO1)C 34a_100000210227_100000760498 [0,1,0,1,0,0|1,0,0]=3 20328 B10R1.70 CCCCSCC1(CO1)C 62a_100000210211_100000760498 [0,1,0,1,0,0|1,0,0]=3 20329 B10R1.70 CCCCSCC1(CO1)C 62a_100000760498_100000210210 [0,1,0,1,0,0|1,0,0]=3 20330 B10R1.70 CCOCSCC1(CO1)C 62a_100000739092_100000760498 [0,1,0,1,0,0|2,0,0]=4 20331 B10R1.70 CCOCSCC1(CO1)C 62a_100000760498_100000739092 [0,1,0,1,0,0|2,0,0]=4 20332 B10R1.70 COCCOCC1(CO1)C 34a_100000210237_100000760498 [0,1,0,1,0,0|2,0,0]=4 20333 B10R1.70 COCCSCC1(CO1)C 62a_100000233755_100000760498 [0,1,0,1,0,0|2,0,0]=4 20334 B10R1.70 COCCSCC1(CO1)C 62a_100000760498_100000233755 [0,1,0,1,0,0|2,0,0]=4 20335 B10R1.70 CSCCOCC1(CO1)C 34a_100000230434_100000760498 [0,1,0,1,0,0|2,0,0]=4 20336 B10R1.70 CSCCSCC1(CO1)C 62a_100000212216_100000760498 [0,1,0,1,0,0|2,0,0]=4 20337 B10R1.70 CSCCSCC1(CO1)C 62a_100000760498_100000751147 [0,1,0,1,0,0|2,0,0]=4 20338 B10R1.70 FCCCOCC1(CC1)F 34a_200000703853_100011934791 [0,1,0,1,0,0|2,0,0]=4 20339 B10R1.70 FCCCOCC1(CC1)F 7a_200000703853_100011934791 [0,1,0,1,0,0|2,0,0]=4 20340 B10R1.70 OC1(CC1)CNCCCF 2230a_100011936951_100011934791 [0,1,0,1,0,0|2,0,0]=4 20341 B10R1.70 OCCCNCC1(CC1)O 2230a_100011936951_100000230001 [0,1,0,1,0,0|1,0,0]=3 20342 B10R1.70 OCCCOCC1(CC1)F 34a_200000703853_100000230001 [0,1,0,1,0,0|1,0,0]=3 20343 B10R1.70 OCCCOCC1(CC1)F 7a_200000703853_100011215043 [0,1,0,1,0,0|1,0,0]=3 20344 B10R1.149 CC(CO)N1CCC[C@@H]1C 2230a_100020605311_100012180447 [0,1,0,1,0,0|1,0,0]=3 20345 B10R1.149 CC(CO)N1CCC[C@H]1C 2230a_100015189458_100012180447 [0,1,0,1,0,0|1,0,0]=3 20346 B10R1.149 CC(CO)N1CCC[C@H]1C 34a_100015189458_100012180447 [0,1,0,1,0,0|1,0,0]=3 20347 B10R1.149 CC(CO)N1CCSC1C 2230a_200011216479_100012180447 [0,1,0,1,0,0|2,0,0]=4 20348 B10R1.149 CC(CO)N1CCSC1C 34a_200011216479_100012180447 [0,1,0,1,0,0|2,0,0]=4 20349 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|1,0,1]=4 20350 B10R1.149 CC1SCCN1[C@H](C)CO 269982a_200011216479_100016084084 [0,1,0,1,0,0|2,0,0]=4 20351 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|1,0,1]=4 20352 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [0,1,0,1,0,0|2,0,0]=4 20353 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [0,1,0,1,0,0|2,0,0]=4 20354 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [0,1,0,1,0,0|2,0,0]=4 20355 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [0,1,0,1,0,0|2,0,0]=4 20356 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [0,1,0,1,0,0|2,0,0]=4 20357 B10R1.149 CCN(C)[C@@H]1CCC[C@H]1O 269982a_100000225621_200016002552 [0,1,0,1,0,0|1,0,0]=3 20358 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|1,0,1]=4 20359 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|1,0,1]=4 20360 B10R1.149 C[C@H](CO)N1CCC[C@@H]1C 269982a_100020605311_100016084084 [0,1,0,1,0,0|1,0,0]=3 20361 B10R1.149 C[C@H](CO)N1CCC[C@H]1C 269982a_100015189458_100016084084 [0,1,0,1,0,0|1,0,0]=3 20362 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|1,0,1]=4 20363 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|1,0,1]=4 20364 B10R1.151 CC(CF)OCC1CCC1 34a_100016041109_100000763275 [0,1,0,1,0,0|2,0,0]=4 20365 B10R1.151 CC(CF)OCC1CCC1 7a_100016041109_100000763275 [0,1,0,1,0,0|2,0,0]=4 20366 B10R1.151 CC(CF)OCC1CCO1 34a_100016041109_100000103362 [0,1,0,1,0,0|2,0,0]=4 20367 B10R1.151 CC(CF)OCC1CCO1 7a_100016041109_100000103362 [0,1,0,1,0,0|2,0,0]=4 20368 B10R1.151 CC(CN)COC1CCC1 34a_100000744482_100000749161 [0,1,0,1,0,0|2,0,0]=4 20369 B10R1.151 CC(CN)OCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|2,0,0]=4 20370 B10R1.151 CC(CN)OCC1CCO1 34a_100000210904_100000103362 [0,1,0,1,0,0|2,0,0]=4 20371 B10R1.151 CC(CO)CNC1CCC1 34a_100000744482_100000749161 [0,1,0,1,0,0|1,0,0]=3 20372 B10R1.151 CC(CO)CNC1COC1 34a_100000744482_100009818527 [0,1,0,1,0,0|2,0,0]=4 20373 B10R1.151 CC(CO)NCC1CCC1 2230a_100000738700_100012180447 [0,1,0,1,0,0|1,0,0]=3 20374 B10R1.151 CC(CO)NCC1CCC1 34a_100000738700_100012180447 [0,1,0,1,0,0|1,0,0]=3 20375 B10R1.151 CC(CO)NCC1COC1 2230a_100015281925_100012180447 [0,1,0,1,0,0|2,0,0]=4 20376 B10R1.151 CC(CO)NCC1COC1 34a_100015281925_100012180447 [0,1,0,1,0,0|2,0,0]=4 20377 B10R1.151 CC(CO)NC[C@@H]1CCO1 2230a_100020831831_100012180447 [0,1,0,1,0,0|2,0,0]=4 20378 B10R1.151 CC(CO)NC[C@@H]1CCO1 34a_100020831831_100012180447 [0,1,0,1,0,0|2,0,0]=4 20379 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [0,1,0,1,0,0|1,0,0]=3 20380 B10R1.151 CC(CO)OCC1CCO1 34a_100000039022_100012180447 [0,1,0,1,0,0|2,0,0]=4 20381 B10R1.151 CC(CO)OCC1CNC1 34a_100016987283_100012180447 [0,1,0,1,0,0|2,0,0]=4 20382 B10R1.151 CC(CO)OCC1COC1 34a_100000060846_100012180447 [0,1,0,1,0,0|2,0,0]=4 20383 B10R1.151 CC(CO)SCC1CCC1 62a_100012180447_100000763275 [0,1,0,1,0,0|1,0,0]=3 20384 B10R1.151 CC(CO)SCC1CCO1 62a_100012180447_100000103362 [0,1,0,1,0,0|2,0,0]=4 20385 B10R1.151 CC(CO)SCC1COC1 62a_100012180447_100010264016 [0,1,0,1,0,0|2,0,0]=4 20386 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 20387 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 20388 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 20389 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 20390 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [0,1,0,1,0,0|2,0,0]=4 20391 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [0,1,0,1,0,0|2,0,0]=4 20392 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [0,1,0,1,0,0|2,0,0]=4 20393 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [0,1,0,1,0,0|2,0,0]=4 20394 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [0,1,0,1,0,0|2,0,0]=4 20395 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [0,1,0,1,0,0|2,0,0]=4 20396 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [0,1,0,1,0,0|2,0,0]=4 20397 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [0,1,0,1,0,0|2,0,0]=4 20398 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [0,1,0,1,0,0|2,0,0]=4 20399 B10R1.151 CCC(C)NCC1CCO1 2230a_100000209981_100000103362 [0,1,0,1,0,0|1,0,0]=3 20400 B10R1.151 CCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000758301 [0,1,0,1,0,0|1,0,0]=3 20401 B10R1.151 CCC(C)NC[C@@H]1CCO1 34a_100020831831_100011215416 [0,1,0,1,0,0|1,0,0]=3 20402 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,1,0,1,0,0|2,0,0]=4 20403 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,1,0,1,0,0|2,0,0]=4 20404 B10R1.151 CCC(C)OCC1CCO1 34a_100000039022_100011215416 [0,1,0,1,0,0|1,0,0]=3 20405 B10R1.151 CCC(C)OCC1CCO1 7a_100000210228_100000103362 [0,1,0,1,0,0|1,0,0]=3 20406 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [0,1,0,1,0,0|2,0,0]=4 20407 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [0,1,0,1,0,0|2,0,0]=4 20408 B10R1.151 CCC(C)SCC1CCO1 62a_100000103362_100000758301 [0,1,0,1,0,0|1,0,0]=3 20409 B10R1.151 CCC(C)SCC1CCO1 62a_100000758301_100000103362 [0,1,0,1,0,0|1,0,0]=3 20410 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,1,0,1,0,0|2,0,0]=4 20411 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,1,0,1,0,0|2,0,0]=4 20412 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,1,0,1,0,0|2,0,0]=4 20413 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,1,0,1,0,0|2,0,0]=4 20414 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [0,1,0,1,0,0|2,0,0]=4 20415 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [0,1,0,1,0,0|2,0,0]=4 20416 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [0,1,0,1,0,0|2,0,0]=4 20417 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [0,1,0,1,0,0|2,0,0]=4 20418 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [0,1,0,1,0,0|2,0,0]=4 20419 B10R1.151 COC(C)SCC1CCO1 62a_100000103362_100009879195 [0,1,0,1,0,0|2,0,0]=4 20420 B10R1.151 COC(C)SCC1CCO1 62a_100009879195_100000103362 [0,1,0,1,0,0|2,0,0]=4 20421 B10R1.151 C[C@@H](CO)CNC1CCC1 2230a_100000749019_100000059175 [0,1,0,1,0,0|1,0,0]=3 20422 B10R1.151 C[C@@H](CO)CNC1CCC1 34a_100000749019_100000059175 [0,1,0,1,0,0|1,0,0]=3 20423 B10R1.151 C[C@@H](CO)CNC1COC1 2230a_100016991112_100000059175 [0,1,0,1,0,0|2,0,0]=4 20424 B10R1.151 C[C@@H](CO)COC1CCC1 34a_100000748187_100000059175 [0,1,0,1,0,0|1,0,0]=3 20425 B10R1.151 C[C@@H](CO)COC1CSC1 7a_100000072292_100000059175 [0,1,0,1,0,0|2,0,0]=4 20426 B10R1.151 C[C@@H](CO)CSC1CCC1 62a_100000059175_100000749161 [0,1,0,1,0,0|1,0,0]=3 20427 B10R1.151 C[C@@H](CO)CSC1COC1 62a_100000059175_100009818527 [0,1,0,1,0,0|2,0,0]=4 20428 B10R1.151 C[C@H](CF)NCC1CCC1 269862a_100102880703_100000753134 [0,1,0,1,0,0|2,0,0]=4 20429 B10R1.151 C[C@H](CO)NCC1CCC1 2230a_100000737577_100000763275 [0,1,0,1,0,0|1,0,0]=3 20430 B10R1.151 C[C@H](CO)NCC1CCC1 269862a_100000737577_100000753134 [0,1,0,1,0,0|1,0,0]=3 20431 B10R1.151 C[C@H](CO)NCC1CCO1 2230a_100000737577_100000103362 [0,1,0,1,0,0|2,0,0]=4 20432 B10R1.151 C[C@H](CO)NCC1COC1 2230a_100000737577_100010264016 [0,1,0,1,0,0|2,0,0]=4 20433 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100000763275_100016084084 [0,1,0,1,0,0|1,0,0]=3 20434 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100016084084_100000763275 [0,1,0,1,0,0|1,0,0]=3 20435 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100000103362_100016084084 [0,1,0,1,0,0|2,0,0]=4 20436 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100016084084_100000103362 [0,1,0,1,0,0|2,0,0]=4 20437 B10R1.151 C[C@H](CO)SCC1COC1 62a_100010264016_100016084084 [0,1,0,1,0,0|2,0,0]=4 20438 B10R1.151 C[C@H](CO)SCC1COC1 62a_100016084084_100010264016 [0,1,0,1,0,0|2,0,0]=4 20439 B10R1.151 ClCC(Cl)COC1CCC1 34a_100000033668_100000749161 [0,1,0,1,0,0|2,0,0]=4 20440 B10R1.151 NC[C@@H](F)COC1CCC1 34a_100015665980_100000749161 [0,1,0,1,0,0|2,0,0]=4 20441 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|1,0,1]=4 20442 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|1,0,1]=4 20443 B10R1.151 OCC(O)CNC1CCC1 2230a_100000749019_100011219619 [0,1,0,1,0,0|1,0,0]=3 20444 B10R1.151 OCC(O)CNC1CCC1 34a_100000749019_100011219619 [0,1,0,1,0,0|1,0,0]=3 20445 B10R1.151 OCC(O)CNC1COC1 2230a_100016991112_100011219619 [0,1,0,1,0,0|2,0,0]=4 20446 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [0,1,0,1,0,0|1,0,0]=3 20447 B10R1.151 OCC(O)COC1CSC1 7a_100000072292_100011219619 [0,1,0,1,0,0|2,0,0]=4 20448 B10R1.151 OCC(O)CSC1CCC1 62a_100011219619_100000749161 [0,1,0,1,0,0|1,0,0]=3 20449 B10R1.151 OCC(O)CSC1COC1 62a_100011219619_100009818527 [0,1,0,1,0,0|2,0,0]=4 20450 B10R1.151 OC[C@H](F)CNC1CCC1 270004a_100015665980_100000241760 [0,1,0,1,0,0|1,0,0]=3 20451 B10R1.151 OC[C@H](F)CNC1CCC1 34a_100015665980_100000749161 [0,1,0,1,0,0|1,0,0]=3 20452 B10R1.151 OC[C@H](F)CNC1COC1 34a_100015665980_100009818527 [0,1,0,1,0,0|2,0,0]=4 20453 B10R1.151 OC[C@H](O)CNC1CCC1 2230a_100000749019_100009815848 [0,1,0,1,0,0|1,0,0]=3 20454 B10R1.151 OC[C@H](O)CNC1CCC1 34a_100000749019_100009815848 [0,1,0,1,0,0|1,0,0]=3 20455 B10R1.151 OC[C@H](O)CNC1COC1 2230a_100016991112_100009815848 [0,1,0,1,0,0|2,0,0]=4 20456 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [0,1,0,1,0,0|1,0,0]=3 20457 B10R1.151 OC[C@H](O)COC1CSC1 7a_100000072292_100009815848 [0,1,0,1,0,0|2,0,0]=4 20458 B10R1.151 OC[C@H](O)CSC1CCC1 62a_100009815848_100000749161 [0,1,0,1,0,0|1,0,0]=3 20459 B10R1.151 OC[C@H](O)CSC1COC1 62a_100009815848_100009818527 [0,1,0,1,0,0|2,0,0]=4 20460 B10R1.151 O[C@@H](CF)CNC1CCC1 2230a_100000749019_100015614560 [0,1,0,1,0,0|2,0,0]=4 20461 B10R1.151 O[C@@H](CF)CNC1CCC1 34a_100000749019_100015614560 [0,1,0,1,0,0|2,0,0]=4 20462 B10R1.151 O[C@@H](CF)COC1CCC1 34a_100000748187_100015614560 [0,1,0,1,0,0|2,0,0]=4 20463 B10R1.151 O[C@@H](CF)CSC1CCC1 62a_100015614560_100000749161 [0,1,0,1,0,0|2,0,0]=4 20464 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [0,1,0,1,0,0|2,0,0]=4 20465 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [0,1,0,1,0,0|2,0,0]=4 20466 B10R1.153 CC(CF)OCCC1CO1 34a_100016041109_100000732470 [0,1,0,1,0,0|2,0,0]=4 20467 B10R1.153 CC(CF)OCCC1CO1 7a_100016041109_100000732470 [0,1,0,1,0,0|2,0,0]=4 20468 B10R1.153 CC(CN)COCC1CC1 34a_100000744482_100000742324 [0,1,0,1,0,0|2,0,0]=4 20469 B10R1.153 CC(CN)COCC1CO1 34a_100000744482_102125554688 [0,1,0,1,0,0|2,0,0]=4 20470 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|2,0,0]=4 20471 B10R1.153 CC(CN)OCCC1CO1 34a_100000210904_100000732470 [0,1,0,1,0,0|2,0,0]=4 20472 B10R1.153 CC(CO)CCNC1CC1 34a_106354213184_100000211595 [0,1,0,1,0,0|1,0,0]=3 20473 B10R1.153 CC(CO)CNCC1CC1 269862a_100000744482_100000741477 [0,1,0,1,0,0|1,0,0]=3 20474 B10R1.153 CC(CO)CNCC1CC1 34a_100000744482_100000742324 [0,1,0,1,0,0|1,0,0]=3 20475 B10R1.153 CC(CO)CNCC1CO1 34a_100000744482_102125554688 [0,1,0,1,0,0|2,0,0]=4 20476 B10R1.153 CC(CO)NCCC1CC1 34a_100000764129_100012180447 [0,1,0,1,0,0|1,0,0]=3 20477 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [0,1,0,1,0,0|1,0,0]=3 20478 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [0,1,0,1,0,0|1,0,0]=3 20479 B10R1.153 CC(CO)OCC[C@@H]1CO1 34a_100009820653_100012180447 [0,1,0,1,0,0|2,0,0]=4 20480 B10R1.153 CC(CO)SCCC1CC1 62a_100012180447_100000764125 [0,1,0,1,0,0|1,0,0]=3 20481 B10R1.153 CC(CO)SCCC1CO1 62a_100012180447_100000732470 [0,1,0,1,0,0|2,0,0]=4 20482 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|0,0,1]=3 20483 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,1,0,1,0,0|1,0,1]=4 20484 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,1,0,1,0,0|1,0,1]=4 20485 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,1,0,1,0,0|1,0,1]=4 20486 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,1,0,1,0,0|1,0,1]=4 20487 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,1,0,1,0,0|1,0,1]=4 20488 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [0,1,0,1,0,0|2,0,0]=4 20489 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [0,1,0,1,0,0|2,0,0]=4 20490 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [0,1,0,1,0,0|2,0,0]=4 20491 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [0,1,0,1,0,0|2,0,0]=4 20492 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [0,1,0,1,0,0|2,0,0]=4 20493 B10R1.153 CCC(C)CNCC1CO1 2230a_100020588543_100011216344 [0,1,0,1,0,0|1,0,0]=3 20494 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [0,1,0,1,0,0|2,0,0]=4 20495 B10R1.153 CCC(C)COC[C@@H]1CO1 34a_100000757423_100000748023 [0,1,0,1,0,0|1,0,0]=3 20496 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [0,1,0,1,0,0|2,0,0]=4 20497 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [0,1,0,1,0,0|2,0,0]=4 20498 B10R1.153 CCC(C)CSCC1CO1 62a_100000748023_102125554688 [0,1,0,1,0,0|1,0,0]=3 20499 B10R1.153 CCC(C)CSCC1CO1 62a_102125554688_100000748023 [0,1,0,1,0,0|1,0,0]=3 20500 B10R1.153 CCC(C)CSCC1CS1 62a_100000031435_100000748023 [0,1,0,1,0,0|1,1,0]=4 20501 B10R1.153 CCC(C)CSCC1CS1 62a_100000748023_100000031435 [0,1,0,1,0,0|1,1,0]=4 20502 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000745022_100000748023 [0,1,0,1,0,0|1,0,0]=3 20503 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000748023_100000745022 [0,1,0,1,0,0|1,0,0]=3 20504 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [0,1,0,1,0,0|2,0,0]=4 20505 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [0,1,0,1,0,0|2,0,0]=4 20506 B10R1.153 CCC(C)NCCC1CO1 2230a_100000209981_100000732470 [0,1,0,1,0,0|1,0,0]=3 20507 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,1,0,1,0,0|2,0,0]=4 20508 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,1,0,1,0,0|2,0,0]=4 20509 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,1,0,1,0,0|2,0,0]=4 20510 B10R1.153 CCC(C)OCCC1CO1 7a_100000210228_100000732470 [0,1,0,1,0,0|1,0,0]=3 20511 B10R1.153 CCC(C)OCC[C@@H]1CO1 34a_100009820653_100011215416 [0,1,0,1,0,0|1,0,0]=3 20512 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [0,1,0,1,0,0|2,0,0]=4 20513 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [0,1,0,1,0,0|2,0,0]=4 20514 B10R1.153 CCC(C)SCCC1CO1 62a_100000732470_100000758301 [0,1,0,1,0,0|1,0,0]=3 20515 B10R1.153 CCC(C)SCCC1CO1 62a_100000758301_100000732470 [0,1,0,1,0,0|1,0,0]=3 20516 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,1,0,1,0,0|2,0,0]=4 20517 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,1,0,1,0,0|2,0,0]=4 20518 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,1,0,1,0,0|2,0,0]=4 20519 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,1,0,1,0,0|2,0,0]=4 20520 B10R1.153 CCC(O)CNCC1CO1 2230a_100011218483_100011216344 [0,1,0,1,0,0|1,0,0]=3 20521 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,1,0,1,0,0|2,0,0]=4 20522 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [0,1,0,1,0,0|1,0,0]=3 20523 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [0,1,0,1,0,0|2,0,0]=4 20524 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [0,1,0,1,0,0|2,0,0]=4 20525 B10R1.153 CCC(O)CSCC1CO1 62a_100011218378_102125554688 [0,1,0,1,0,0|1,0,0]=3 20526 B10R1.153 CCC(O)CSCC1CO1 62a_102125554688_100011218378 [0,1,0,1,0,0|1,0,0]=3 20527 B10R1.153 CCC(O)CSCC1CS1 62a_100000031435_100011218378 [0,1,0,1,0,0|1,1,0]=4 20528 B10R1.153 CCC(O)CSCC1CS1 62a_100011218378_100000031435 [0,1,0,1,0,0|1,1,0]=4 20529 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100000745022_100011218378 [0,1,0,1,0,0|1,0,0]=3 20530 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100011218378_100000745022 [0,1,0,1,0,0|1,0,0]=3 20531 B10R1.153 CCN(C)CCCC1CO1 2230a_100000225621_100000733510 [0,1,0,1,0,0|1,0,0]=3 20532 B10R1.153 CCN(C)CCCC1CO1 269982a_100000225621_100000733510 [0,1,0,1,0,0|1,0,0]=3 20533 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [0,1,0,1,0,0|2,0,0]=4 20534 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [0,1,0,1,0,0|2,0,0]=4 20535 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [0,1,0,1,0,0|2,0,0]=4 20536 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [0,1,0,1,0,0|2,0,0]=4 20537 B10R1.153 CC[C@H](C)COCC1CO1 7a_100009816381_102125554688 [0,1,0,1,0,0|1,0,0]=3 20538 B10R1.153 CC[C@H](C)COCC1CS1 7a_100009816381_100000031435 [0,1,0,1,0,0|1,1,0]=4 20539 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 34a_100000757423_100009816398 [0,1,0,1,0,0|1,0,0]=3 20540 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 7a_100009816381_100000745022 [0,1,0,1,0,0|1,0,0]=3 20541 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [0,1,0,1,0,0|2,0,0]=4 20542 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [0,1,0,1,0,0|2,0,0]=4 20543 B10R1.153 CC[C@H](C)CSCC1CO1 62a_100009816398_102125554688 [0,1,0,1,0,0|1,0,0]=3 20544 B10R1.153 CC[C@H](C)CSCC1CO1 62a_102125554688_100009816398 [0,1,0,1,0,0|1,0,0]=3 20545 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100000031435_100009816398 [0,1,0,1,0,0|1,1,0]=4 20546 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100009816398_100000031435 [0,1,0,1,0,0|1,1,0]=4 20547 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100000745022_100009816398 [0,1,0,1,0,0|1,0,0]=3 20548 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100009816398_100000745022 [0,1,0,1,0,0|1,0,0]=3 20549 B10R1.153 COC(C)COCC1CO1 34a_100000690652_102125554688 [0,1,0,1,0,0|2,0,0]=4 20550 B10R1.153 COC(C)SCCC1CO1 62a_100000732470_100009879195 [0,1,0,1,0,0|2,0,0]=4 20551 B10R1.153 COC(C)SCCC1CO1 62a_100009879195_100000732470 [0,1,0,1,0,0|2,0,0]=4 20552 B10R1.153 CO[C@H](C)CNCC1CO1 2230a_100020591295_100011216344 [0,1,0,1,0,0|2,0,0]=4 20553 B10R1.153 C[C@@H](CO)CNCC1CC1 2230a_100000735609_100000059175 [0,1,0,1,0,0|1,0,0]=3 20554 B10R1.153 C[C@@H](CO)CNCC1CC1 34a_100000735609_100000059175 [0,1,0,1,0,0|1,0,0]=3 20555 B10R1.153 C[C@@H](CO)COCC1CC1 34a_100000211283_100000059175 [0,1,0,1,0,0|1,0,0]=3 20556 B10R1.153 C[C@@H](CO)COC[C@@H]1CO1 34a_100000757423_100000059175 [0,1,0,1,0,0|2,0,0]=4 20557 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000059175_100000742324 [0,1,0,1,0,0|1,0,0]=3 20558 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000756562_100000059175 [0,1,0,1,0,0|1,0,0]=3 20559 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_100000059175_102125554688 [0,1,0,1,0,0|2,0,0]=4 20560 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_102125554688_100000059175 [0,1,0,1,0,0|2,0,0]=4 20561 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000031435_100000059175 [0,1,0,1,0,0|2,0,0]=4 20562 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000059175_100000031435 [0,1,0,1,0,0|2,0,0]=4 20563 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000059175_100000745022 [0,1,0,1,0,0|2,0,0]=4 20564 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000745022_100000059175 [0,1,0,1,0,0|2,0,0]=4 20565 B10R1.153 C[C@H](CO)NCCC1CC1 2230a_100000737577_100000694398 [0,1,0,1,0,0|1,0,0]=3 20566 B10R1.153 C[C@H](CO)NCCC1CO1 2230a_100000737577_100000732470 [0,1,0,1,0,0|2,0,0]=4 20567 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100000764125_100016084084 [0,1,0,1,0,0|1,0,0]=3 20568 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100016084084_100000764125 [0,1,0,1,0,0|1,0,0]=3 20569 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100000732470_100016084084 [0,1,0,1,0,0|2,0,0]=4 20570 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100016084084_100000732470 [0,1,0,1,0,0|2,0,0]=4 20571 B10R1.153 ClCC(Cl)COCC1CC1 34a_100000033668_100000742324 [0,1,0,1,0,0|2,0,0]=4 20572 B10R1.153 ClCC(Cl)COCC1CO1 34a_100000033668_102125554688 [0,1,0,1,0,0|2,0,0]=4 20573 B10R1.153 NC[C@@H](F)COCC1CC1 34a_100015665980_100000742324 [0,1,0,1,0,0|2,0,0]=4 20574 B10R1.153 NC[C@@H](F)COCC1CO1 34a_100015665980_102125554688 [0,1,0,1,0,0|2,0,0]=4 20575 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,1]=4 20576 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,1]=4 20577 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,1]=4 20578 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [0,1,0,1,0,0|1,0,0]=3 20579 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [0,1,0,1,0,0|1,0,0]=3 20580 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [0,1,0,1,0,0|1,0,0]=3 20581 B10R1.153 OCC(O)COC[C@@H]1CO1 34a_100000757423_100011219619 [0,1,0,1,0,0|2,0,0]=4 20582 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [0,1,0,1,0,0|1,0,0]=3 20583 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [0,1,0,1,0,0|1,0,0]=3 20584 B10R1.153 OCC(O)CSCC1CO1 62a_100011219619_102125554688 [0,1,0,1,0,0|2,0,0]=4 20585 B10R1.153 OCC(O)CSCC1CO1 62a_102125554688_100011219619 [0,1,0,1,0,0|2,0,0]=4 20586 B10R1.153 OCC(O)CSCC1CS1 62a_100000031435_100011219619 [0,1,0,1,0,0|2,0,0]=4 20587 B10R1.153 OCC(O)CSCC1CS1 62a_100011219619_100000031435 [0,1,0,1,0,0|2,0,0]=4 20588 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100000745022_100011219619 [0,1,0,1,0,0|2,0,0]=4 20589 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100011219619_100000745022 [0,1,0,1,0,0|2,0,0]=4 20590 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [0,1,0,1,0,0|1,0,0]=3 20591 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [0,1,0,1,0,0|1,0,0]=3 20592 B10R1.153 OC[C@@H](O)CNCC1CO1 2230a_100020644852_100011216344 [0,1,0,1,0,0|2,0,0]=4 20593 B10R1.153 OC[C@H](F)CNCC1CC1 269862a_100015665980_100000741477 [0,1,0,1,0,0|1,0,0]=3 20594 B10R1.153 OC[C@H](F)CNCC1CC1 34a_100015665980_100000742324 [0,1,0,1,0,0|1,0,0]=3 20595 B10R1.153 OC[C@H](F)CNCC1CO1 34a_100015665980_102125554688 [0,1,0,1,0,0|2,0,0]=4 20596 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [0,1,0,1,0,0|1,0,0]=3 20597 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [0,1,0,1,0,0|1,0,0]=3 20598 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [0,1,0,1,0,0|1,0,0]=3 20599 B10R1.153 OC[C@H](O)COC[C@@H]1CO1 34a_100000757423_100009815848 [0,1,0,1,0,0|2,0,0]=4 20600 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [0,1,0,1,0,0|1,0,0]=3 20601 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [0,1,0,1,0,0|1,0,0]=3 20602 B10R1.153 OC[C@H](O)CSCC1CO1 62a_100009815848_102125554688 [0,1,0,1,0,0|2,0,0]=4 20603 B10R1.153 OC[C@H](O)CSCC1CO1 62a_102125554688_100009815848 [0,1,0,1,0,0|2,0,0]=4 20604 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100000031435_100009815848 [0,1,0,1,0,0|2,0,0]=4 20605 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100009815848_100000031435 [0,1,0,1,0,0|2,0,0]=4 20606 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100000745022_100009815848 [0,1,0,1,0,0|2,0,0]=4 20607 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100009815848_100000745022 [0,1,0,1,0,0|2,0,0]=4 20608 B10R1.153 O[C@@H](CF)CNCC1CC1 2230a_100000735609_100015614560 [0,1,0,1,0,0|2,0,0]=4 20609 B10R1.153 O[C@@H](CF)CNCC1CC1 34a_100000735609_100015614560 [0,1,0,1,0,0|2,0,0]=4 20610 B10R1.153 O[C@@H](CF)COCC1CC1 34a_100000211283_100015614560 [0,1,0,1,0,0|2,0,0]=4 20611 B10R1.153 O[C@@H](CF)COC[C@@H]1CO1 34a_100000757423_100015614560 [0,1,0,1,0,0|2,0,0]=4 20612 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100000756562_100015614560 [0,1,0,1,0,0|2,0,0]=4 20613 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100015614560_100000742324 [0,1,0,1,0,0|2,0,0]=4 20614 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_100015614560_102125554688 [0,1,0,1,0,0|2,0,0]=4 20615 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_102125554688_100015614560 [0,1,0,1,0,0|2,0,0]=4 20616 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100000745022_100015614560 [0,1,0,1,0,0|2,0,0]=4 20617 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100015614560_100000745022 [0,1,0,1,0,0|2,0,0]=4 20618 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,1,0,1,0,0|2,0,0]=4 20619 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|2,0,0]=4 20620 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|2,0,0]=4 20621 B10R1.172 CCN1CCCC(C1)CF 2230a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 20622 B10R1.172 CCN1CCCC(C1)CF 269982a_100016992999_100000204670 [0,1,0,1,0,0|2,0,0]=4 20623 B10R1.172 CCN1CCCC(C1)CF 34a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 20624 B10R1.172 CCN1CCCC(C1)CO 2230a_100000211344_100000210202 [0,1,0,1,0,0|1,0,0]=3 20625 B10R1.172 CCN1CCCC(C1)CO 269982a_100000211344_100000204670 [0,1,0,1,0,0|1,0,0]=3 20626 B10R1.172 CCN1CCCC(C1)CO 34a_100000211344_100000210202 [0,1,0,1,0,0|1,0,0]=3 20627 B10R1.172 CCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210202 [0,1,0,1,0,0|2,0,0]=4 20628 B10R1.172 CCN1CCO[C@@H](C1)CO 269982a_100015189573_100000204670 [0,1,0,1,0,0|2,0,0]=4 20629 B10R1.172 CCN1CCO[C@@H](C1)CO 34a_100015189573_100000210202 [0,1,0,1,0,0|2,0,0]=4 20630 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [0,1,0,1,0,0|2,0,0]=4 20631 B10R1.172 OCC1CCCN(C1)CF 269982a_100000211344_100015361967 [0,1,0,1,0,0|2,0,0]=4 20632 B10R1.172 OCC1CCCN(C1)CF 34a_100000211344_100015361967 [0,1,0,1,0,0|2,0,0]=4 20633 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [0,1,0,1,0,0|2,0,0]=4 20634 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [0,1,0,1,0,0|1,0,0]=3 20635 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [0,1,0,1,0,0|1,0,0]=3 20636 B10R1.206 CCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000748023 [0,1,0,1,0,0|2,0,0]=4 20637 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000748023 [0,1,0,1,0,0|2,0,0]=4 20638 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000748023 [0,1,0,1,0,0|2,0,0]=4 20639 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,1,0,1,0,0|2,0,0]=4 20640 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,1,0,1,0,0|2,0,0]=4 20641 B10R1.206 CCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218378 [0,1,0,1,0,0|2,0,0]=4 20642 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218378 [0,1,0,1,0,0|2,0,0]=4 20643 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218378 [0,1,0,1,0,0|2,0,0]=4 20644 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009816398 [0,1,0,1,0,0|2,0,0]=4 20645 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009816398 [0,1,0,1,0,0|2,0,0]=4 20646 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 34a_100025746932_100009816398 [0,1,0,1,0,0|2,0,0]=4 20647 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000059175 [0,1,0,1,0,0|2,0,0]=4 20648 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000059175 [0,1,0,1,0,0|2,0,0]=4 20649 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 34a_100025746932_100000059175 [0,1,0,1,0,0|2,0,0]=4 20650 B10R1.206 OCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011219619 [0,1,0,1,0,0|2,0,0]=4 20651 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011219619 [0,1,0,1,0,0|2,0,0]=4 20652 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011219619 [0,1,0,1,0,0|2,0,0]=4 20653 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009815848 [0,1,0,1,0,0|2,0,0]=4 20654 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009815848 [0,1,0,1,0,0|2,0,0]=4 20655 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009815848 [0,1,0,1,0,0|2,0,0]=4 20656 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,1,0,1,0,0|2,0,0]=4 20657 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,1,0,1,0,0|2,0,0]=4 20658 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 2230a_206633788156_100011934791 [0,1,0,1,0,0|2,0,0]=4 20659 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 269982a_206633788156_100011934791 [0,1,0,1,0,0|2,0,0]=4 20660 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 2230a_206633788156_100000230001 [0,1,0,1,0,0|1,0,0]=3 20661 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 269982a_206633788156_100011215043 [0,1,0,1,0,0|1,0,0]=3 20662 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [0,1,0,1,0,0|2,0,0]=4 20663 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [0,1,0,1,0,0|2,0,0]=4 20664 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 20665 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 20666 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [0,1,0,1,0,0|2,0,0]=4 20667 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [0,1,0,1,0,0|2,0,0]=4 20668 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 20669 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 20670 B10R1.463 CC1CCN1CC(O)CO 34a_100000755817_100011219619 [0,1,0,1,0,0|1,0,0]=3 20671 B10R1.463 CC1CCN1C[C@@H](C)CO 269982a_100000755817_100000059175 [0,1,0,1,0,0|1,0,0]=3 20672 B10R1.463 CC1CCN1C[C@@H](C)CO 34a_100000755817_100000059175 [0,1,0,1,0,0|1,0,0]=3 20673 B10R1.463 CC1CCN1C[C@@H](O)CF 34a_100000755817_100015614560 [0,1,0,1,0,0|2,0,0]=4 20674 B10R1.463 CC1CCN1C[C@@H](O)CO 34a_100000755817_100009815848 [0,1,0,1,0,0|1,0,0]=3 20675 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [0,1,0,1,0,0|2,0,0]=4 20676 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [0,1,0,1,0,0|2,0,0]=4 20677 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,1,0,1,0,0|2,0,0]=4 20678 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,1,0,1,0,0|2,0,0]=4 20679 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [0,1,0,1,0,0|2,0,0]=4 20680 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [0,1,0,1,0,0|2,0,0]=4 20681 B10R2.58 CCCN1CC2CC2C1 2230a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 20682 B10R2.58 CCCN1CC2CC2C1 269982a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 20683 B10R2.58 CCCN1CC2CC2C1 34a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 20684 B10R2.58 CCNC1CC2CC2C1 270004a_100015525214_100010340937 [0,0,0,2,0,0|2,0,0]=4 20685 B10R2.58 FCCN1CC2CC2C1 2230a_100000741873_100011217306 [0,0,0,2,0,0|2,0,0]=4 20686 B10R2.58 FCCN1CC2CC2C1 269982a_100000741873_100011217306 [0,0,0,2,0,0|2,0,0]=4 20687 B10R2.58 FCCN1CC2CC2C1 34a_100000741873_100011217306 [0,0,0,2,0,0|2,0,0]=4 20688 B10R2.58 OCCN1CC2CC2C1 2230a_100000741873_100000211926 [0,0,0,2,0,0|1,0,0]=3 20689 B10R2.58 OCCN1CC2CC2C1 269982a_100000741873_100000211926 [0,0,0,2,0,0|1,0,0]=3 20690 B10R2.58 OCCN1CC2CC2C1 34a_100000741873_100000211926 [0,0,0,2,0,0|1,0,0]=3 20691 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 20692 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 20693 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 20694 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 20695 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 20696 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 20697 B10R2.161 CCN1C2CCC1CC2 2230a_100000735658_100000210202 [0,0,0,2,0,0|2,0,0]=4 20698 B10R2.161 CCN1C2CCC1CC2 269982a_100000735658_100000204670 [0,0,0,2,0,0|2,0,0]=4 20699 B10R2.161 CCN1C2CCC1CC2 34a_100000735658_100000210202 [0,0,0,2,0,0|2,0,0]=4 20700 B10R2.161 CNC1C2CCC1CC2 34a_100102657272_100009813300 [0,0,0,2,0,0|2,0,0]=4 20701 B10R2.161 COC1C2CCC1CC2 34a_100138415774_100009813300 [0,0,0,2,0,0|2,0,0]=4 20702 B10R2.161 CSC1C2CCC1CC2 62a_100009813300_200000210301 [0,0,0,2,0,0|2,0,0]=4 20703 B10R2.161 CSC1C2CCC1CC2 62a_200000210301_100009813300 [0,0,0,2,0,0|2,0,0]=4 20704 B10R2.161 FCN1C2CCC1CC2 269982a_100000735658_100015361967 [0,0,0,2,0,0|2,0,0]=4 20705 B10R2.161 FCN1C2CCC1CC2 34a_100000735658_100015361967 [0,0,0,2,0,0|2,0,0]=4 20706 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_100009813300_200025704644 [0,0,0,2,0,0|2,0,0]=4 20707 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_200025704644_100009813300 [0,0,0,2,0,0|2,0,0]=4 20708 B10R2.368 CCNC1CCC2C1C2 269862a_100015525214_100000692480 [0,0,0,2,0,0|2,0,0]=4 20709 B10R2.368 CCNC1CCC2C1C2 270004a_100015525214_100000692480 [0,0,0,2,0,0|2,0,0]=4 20710 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,2,0,0|2,0,0]=4 20711 B10R2.368 FCOC1CCC2C1C2 34a_200012295571_100015361967 [0,0,0,2,0,0|2,0,0]=4 20712 B10R2.99 CCN1CC2CCC1C2 2230a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 20713 B10R2.99 CCN1CC2CCC1C2 269982a_100000743476_100000204670 [0,0,0,2,0,0|2,0,0]=4 20714 B10R2.99 CCN1CC2CCC1C2 34a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 20715 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210202 [0,0,0,2,0,0|1,0,0]=3 20716 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000204670 [0,0,0,2,0,0|1,0,0]=3 20717 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210202 [0,0,0,2,0,0|1,0,0]=3 20718 B10R2.99 CNC1CC2CCC1C2 2230a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 20719 B10R2.99 CNC1CC2CCC1C2 269862a_106832991636_100000223372 [0,0,0,2,0,0|2,0,0]=4 20720 B10R2.99 CNC1CC2CCC1C2 270004a_106832991635_100000223372 [0,0,0,2,0,0|2,0,0]=4 20721 B10R2.99 CNC1CC2CCC1C2 34a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 20722 B10R2.99 CNC1CC2CCC1C2 34a_100102657272_100000727232 [0,0,0,2,0,0|2,0,0]=4 20723 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [0,0,0,2,0,0|2,0,0]=4 20724 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [0,0,0,2,0,0|2,0,0]=4 20725 B10R2.99 CSC1CC2CCC1C2 62a_100000727232_200000210301 [0,0,0,2,0,0|2,0,0]=4 20726 B10R2.99 CSC1CC2CCC1C2 62a_200000210301_100000727232 [0,0,0,2,0,0|2,0,0]=4 20727 B10R2.99 FCN1CC2CCC1C2 269982a_100000743476_100015361967 [0,0,0,2,0,0|2,0,0]=4 20728 B10R2.99 FCN1CC2CCC1C2 34a_100000743476_100015361967 [0,0,0,2,0,0|2,0,0]=4 20729 B10R2.99 FCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100015361967 [0,0,0,2,0,0|2,0,0]=4 20730 B10R2.99 FCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100015361967 [0,0,0,2,0,0|2,0,0]=4 20731 B10R2.99 [13CH3]NC1CC2CCC1C2 2230a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 20732 B10R2.99 [13CH3]NC1CC2CCC1C2 34a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 20733 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [0,0,0,2,0,0|2,0,0]=4 20734 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_100000727232_200025704644 [0,0,0,2,0,0|2,0,0]=4 20735 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_200025704644_100000727232 [0,0,0,2,0,0|2,0,0]=4 20736 B10R2.136 C1CC(C1)N2CCCC2 269982a_100000188435_100000749161 [0,0,0,2,0,0|2,0,0]=4 20737 B10R2.136 C1CC(C1)N2CCCC2 270004a_100000188435_100000241760 [0,0,0,2,0,0|2,0,0]=4 20738 B10R2.136 C1CCC(C1)N2CCC2 269982a_100000754969_100000179811 [0,0,0,2,0,0|2,0,0]=4 20739 B10R2.193 C1CCC(C1)NC2CC2 34a_100000211070_100000211595 [0,0,0,2,0,0|2,0,0]=4 20740 B10R2.193 C1CCC(C1)NC2CC2 34a_100000212008_100000179811 [0,0,0,2,0,0|2,0,0]=4 20741 B10R2.193 C1CCC(C1)OC2CC2 34a_100000210269_100000211595 [0,0,0,2,0,0|2,0,0]=4 20742 B10R2.193 C1CCC(C1)SC2CC2 62a_100011217020_100000211595 [0,0,0,2,0,0|2,0,0]=4 20743 B10R2.193 C1CCN(C1)CC2CC2 2230a_100000188435_100000742324 [0,0,0,2,0,0|2,0,0]=4 20744 B10R2.193 C1CCN(C1)CC2CC2 269982a_100000188435_100000756562 [0,0,0,2,0,0|2,0,0]=4 20745 B10R2.193 C1CCN(C1)CC2CO2 2230a_100000188435_100011216344 [0,0,0,2,0,0|1,0,0]=3 20746 B10R2.193 C1CCN(C1)CC2CO2 269982a_100000188435_102125554688 [0,0,0,2,0,0|1,0,0]=3 20747 B10R2.193 C1CCN(C1)CC2CS2 269982a_100000188435_100000031435 [0,0,0,2,0,0|1,1,0]=4 20748 B10R2.193 C1CCN(C1)C[C@@H]2CO2 269982a_100000188435_100000745022 [0,0,0,2,0,0|1,0,0]=3 20749 B10R2.193 C1CN(CS1)CC2CO2 2230a_100011215254_100011216344 [0,0,0,2,0,0|2,0,0]=4 20750 B10R2.193 C1CN(CS1)CC2CO2 269982a_100011215254_102125554688 [0,0,0,2,0,0|2,0,0]=4 20751 B10R2.193 C1CN(CS1)C[C@@H]2CO2 269982a_100011215254_100000745022 [0,0,0,2,0,0|2,0,0]=4 20752 B10R2.193 C1COC(C1)OC2CC2 34a_100000085407_100000211595 [0,0,0,2,0,0|1,0,0]=3 20753 B10R2.8 CCN1CCCC12CC2 2230a_100020620911_100000210202 [0,0,0,2,0,0|2,0,0]=4 20754 B10R2.8 CCN1CCCC12CC2 269982a_100020620911_100000204670 [0,0,0,2,0,0|2,0,0]=4 20755 B10R2.8 CCN1CCCC12CC2 34a_100020620911_100000210202 [0,0,0,2,0,0|2,0,0]=4 20756 B10R2.8 CNC1CCCC12CC2 269862a_106832991636_100009881796 [0,0,0,2,0,0|2,0,0]=4 20757 B10R2.8 FCN1CCCC12CC2 269982a_100020620911_100015361967 [0,0,0,2,0,0|2,0,0]=4 20758 B10R2.8 FCN1CCCC12CC2 34a_100020620911_100015361967 [0,0,0,2,0,0|2,0,0]=4 20759 B10R2.402 CNC1CCCC2C1C2 269862a_106832991636_100000697651 [0,0,0,2,0,0|2,0,0]=4 20760 B10R2.75 CC1CC1COC2CC2 34a_100000744939_100000211595 [0,0,0,2,0,0|2,0,0]=4 20761 B10R2.75 F[C@@H]1C[C@H]1NCC2CC2 2230a_100025746932_100000742324 [0,0,0,2,0,0|2,0,0]=4 20762 B10R2.75 F[C@@H]1C[C@H]1NCC2CC2 34a_100025746932_100000742324 [0,0,0,2,0,0|2,0,0]=4 20763 B10R2.75 F[C@@H]1C[C@H]1NCC2CO2 2230a_100025746932_100011216344 [0,0,0,2,0,0|2,0,0]=4 20764 B10R2.75 F[C@@H]1C[C@H]1NCC2CO2 34a_100025746932_102125554688 [0,0,0,2,0,0|2,0,0]=4 20765 B10R2.75 F[C@H]1C[C@H]1NCC2CC2 2230a_100015190264_100000742324 [0,0,0,2,0,0|2,0,0]=4 20766 B10R2.75 F[C@H]1C[C@H]1NCC2CO2 2230a_100015190264_100011216344 [0,0,0,2,0,0|2,0,0]=4 20767 B10R2.230 F[C@@H]1C[C@H]1NC2CCC2 34a_100025746932_100000749161 [0,0,0,2,0,0|2,0,0]=4 20768 B10R2.192 C1CC(C1)CN2CCC2 269982a_100000754969_100000763275 [0,0,0,2,0,0|2,0,0]=4 20769 B10R2.192 C1CC(C1)NC2CCC2 34a_100000749019_100000749161 [0,0,0,2,0,0|2,0,0]=4 20770 B10R2.192 C1CC(C1)OC2CCC2 34a_100000748187_100000749161 [0,0,0,2,0,0|2,0,0]=4 20771 B10R2.192 C1CN(C1)CC2CCO2 269982a_100000754969_100000103362 [0,0,0,2,0,0|1,0,0]=3 20772 B10R2.324 CC1CCN1C2CCC2 269982a_100000755817_100000749161 [0,0,0,2,0,0|2,0,0]=4 20773 B10R2.324 CC1CCN1C2CCC2 34a_100000755817_100000749161 [0,0,0,2,0,0|2,0,0]=4 20774 B10R2.411 C1CC(C1)CNC2CC2 34a_100000212008_100000763275 [0,0,0,2,0,0|2,0,0]=4 20775 B10R2.411 C1CC(C1)CNC2CC2 34a_100000738700_100000211595 [0,0,0,2,0,0|2,0,0]=4 20776 B10R2.411 C1CC(C1)COC2CC2 34a_100000760304_100000211595 [0,0,0,2,0,0|2,0,0]=4 20777 B10R2.411 C1CC(C1)CSC2CC2 62a_100000763275_100000211595 [0,0,0,2,0,0|2,0,0]=4 20778 B10R2.411 C1CC(C1)NCC2CC2 2230a_100000749019_100000742324 [0,0,0,2,0,0|2,0,0]=4 20779 B10R2.411 C1CC(C1)NCC2CC2 269862a_100000749019_100000741477 [0,0,0,2,0,0|2,0,0]=4 20780 B10R2.411 C1CC(C1)NCC2CC2 270004a_100000735609_100000241760 [0,0,0,2,0,0|2,0,0]=4 20781 B10R2.411 C1CC(C1)NCC2CC2 34a_100000735609_100000749161 [0,0,0,2,0,0|2,0,0]=4 20782 B10R2.411 C1CC(C1)NCC2CC2 34a_100000749019_100000742324 [0,0,0,2,0,0|2,0,0]=4 20783 B10R2.411 C1CC(C1)NCC2CO2 2230a_100000749019_100011216344 [0,0,0,2,0,0|1,0,0]=3 20784 B10R2.411 C1CC(C1)NCC2CO2 34a_100000749019_102125554688 [0,0,0,2,0,0|1,0,0]=3 20785 B10R2.411 C1CC(C1)OCC2CC2 34a_100000211283_100000749161 [0,0,0,2,0,0|2,0,0]=4 20786 B10R2.411 C1CC(C1)OCC2CC2 34a_100000748187_100000742324 [0,0,0,2,0,0|2,0,0]=4 20787 B10R2.411 C1CC(C1)OCC2CO2 34a_100000748187_102125554688 [0,0,0,2,0,0|1,0,0]=3 20788 B10R2.411 C1CC(C1)OC[C@@H]2CO2 34a_100000757423_100000749161 [0,0,0,2,0,0|1,0,0]=3 20789 B10R2.411 C1CC(C1)SCC2CC2 62a_100000756562_100000749161 [0,0,0,2,0,0|2,0,0]=4 20790 B10R2.411 C1CC(C1)SCC2CO2 62a_102125554688_100000749161 [0,0,0,2,0,0|1,0,0]=3 20791 B10R2.411 C1CC(C1)SCC2CS2 62a_100000031435_100000749161 [0,0,0,2,0,0|1,1,0]=4 20792 B10R2.411 C1CC(C1)SC[C@@H]2CO2 62a_100000745022_100000749161 [0,0,0,2,0,0|1,0,0]=3 20793 B10R2.411 C1CC(O1)CNC2CC2 34a_100000212008_100000103362 [0,0,0,2,0,0|1,0,0]=3 20794 B10R2.411 C1CC(O1)COC2CC2 34a_100000039022_100000211595 [0,0,0,2,0,0|1,0,0]=3 20795 B10R2.411 C1CC(O1)CSC2CC2 62a_100000103362_100000211595 [0,0,0,2,0,0|1,0,0]=3 20796 B10R2.411 C1CN(C1)CCC2CC2 269982a_100000754969_100000694398 [0,0,0,2,0,0|2,0,0]=4 20797 B10R2.411 C1CN(C1)CCC2CO2 269982a_100000754969_100000732470 [0,0,0,2,0,0|1,0,0]=3 20798 B10R2.411 C1C[C@H](O1)CNC2CC2 34a_100020831831_100000211595 [0,0,0,2,0,0|1,0,0]=3 20799 B10R2.411 C1OC1COC2CSC2 7a_100000072292_102125554688 [0,0,0,2,0,0|2,0,0]=4 20800 B10R2.411 C1OC1CSC2COC2 62a_102125554688_100009818527 [0,0,0,2,0,0|2,0,0]=4 20801 B10R2.411 C1OCC1NCC2CO2 2230a_100016991112_100011216344 [0,0,0,2,0,0|2,0,0]=4 20802 B10R2.411 C1OCC1OCC2CO2 34a_100000757423_100009818527 [0,0,0,2,0,0|2,0,0]=4 20803 B10R2.411 C1OCC1SC[C@@H]2CO2 62a_100000745022_100009818527 [0,0,0,2,0,0|2,0,0]=4 20804 B10R2.411 C1SCC1OC[C@@H]2CO2 7a_100000072292_100000745022 [0,0,0,2,0,0|2,0,0]=4 20805 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 20806 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 20807 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 20808 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 20809 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 20810 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 20811 B10R2.21 CN1CCCC1C2CC2 2230a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 20812 B10R2.21 CN1CCCC1C2CC2 269982a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 20813 B10R2.21 CN1CCCC1C2CC2 34a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 20814 B10R2.21 C[C@@H]1CCCN1C2CC2 269982a_100015189458_100000211595 [0,0,0,2,0,0|2,0,0]=4 20815 B10R2.21 C[C@@H]1CCCN1C2CC2 34a_100015189458_100000211595 [0,0,0,2,0,0|2,0,0]=4 20816 B10R2.21 C[C@H]1CCCN1C2CC2 269982a_100020605311_100000211595 [0,0,0,2,0,0|2,0,0]=4 20817 B10R2.21 [13CH3]N1CCCC1C2CC2 2230a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 20818 B10R2.21 [13CH3]N1CCCC1C2CC2 269982a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 20819 B10R2.21 [13CH3]N1CCCC1C2CC2 34a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 20820 B10R2.27 CC1CCN1CC2CC2 269982a_100000755817_100000756562 [0,0,0,2,0,0|2,0,0]=4 20821 B10R2.27 CC1CCN1CC2CC2 34a_100000755817_100000742324 [0,0,0,2,0,0|2,0,0]=4 20822 B10R2.27 CC1CCN1CC2CO2 269982a_100000755817_102125554688 [0,0,0,2,0,0|1,0,0]=3 20823 B10R2.27 CC1CCN1CC2CO2 34a_100000755817_102125554688 [0,0,0,2,0,0|1,0,0]=3 20824 B10R2.27 CC1CCN1CC2CS2 269982a_100000755817_100000031435 [0,0,0,2,0,0|1,1,0]=4 20825 B10R2.27 CC1CCN1C[C@@H]2CO2 269982a_100000755817_100000745022 [0,0,0,2,0,0|1,0,0]=3 20826 B10R2.410 C(CC1CC1)NC2CC2 34a_100000212008_100000694398 [0,0,0,2,0,0|2,0,0]=4 20827 B10R2.410 C(CC1CC1)NC2CC2 34a_100000764129_100000211595 [0,0,0,2,0,0|2,0,0]=4 20828 B10R2.410 C(CC1CC1)OC2CC2 34a_100000754188_100000211595 [0,0,0,2,0,0|2,0,0]=4 20829 B10R2.410 C(CC1CC1)SC2CC2 62a_100000764125_100000211595 [0,0,0,2,0,0|2,0,0]=4 20830 B10R2.410 C(CC1CO1)NC2CC2 34a_100000212008_100000732470 [0,0,0,2,0,0|1,0,0]=3 20831 B10R2.410 C(CC1CO1)SC2CC2 62a_100000732470_100000211595 [0,0,0,2,0,0|1,0,0]=3 20832 B10R2.410 C(C[C@@H]1CO1)OC2CC2 34a_100009820653_100000211595 [0,0,0,2,0,0|1,0,0]=3 20833 B10R2.410 C(OC[C@@H]1CO1)C2CO2 34a_100000757423_102125554688 [0,0,0,2,0,0|2,0,0]=4 20834 B10R2.410 C(SC[C@@H]1CO1)C2CS2 62a_100000031435_100000745022 [0,0,0,2,0,0|2,0,0]=4 20835 B10R2.410 C(SC[C@@H]1CO1)C2CS2 62a_100000745022_100000031435 [0,0,0,2,0,0|2,0,0]=4 20836 B10R2.410 C1CC1CNCC2CC2 2230a_100000735609_100000742324 [0,0,0,2,0,0|2,0,0]=4 20837 B10R2.410 C1CC1CNCC2CC2 34a_100000735609_100000742324 [0,0,0,2,0,0|2,0,0]=4 20838 B10R2.410 C1CC1CNCC2CO2 2230a_100000735609_100011216344 [0,0,0,2,0,0|1,0,0]=3 20839 B10R2.410 C1CC1CNCC2CO2 34a_100000735609_102125554688 [0,0,0,2,0,0|1,0,0]=3 20840 B10R2.410 C1CC1COCC2CC2 34a_100000211283_100000742324 [0,0,0,2,0,0|2,0,0]=4 20841 B10R2.410 C1CC1COCC2CO2 34a_100000211283_102125554688 [0,0,0,2,0,0|1,0,0]=3 20842 B10R2.410 C1CC1COC[C@@H]2CO2 34a_100000757423_100000742324 [0,0,0,2,0,0|1,0,0]=3 20843 B10R2.410 C1CC1CSCC2CC2 62a_100000756562_100000742324 [0,0,0,2,0,0|2,0,0]=4 20844 B10R2.410 C1CC1CSCC2CO2 62a_100000756562_102125554688 [0,0,0,2,0,0|1,0,0]=3 20845 B10R2.410 C1CC1CSCC2CO2 62a_102125554688_100000742324 [0,0,0,2,0,0|1,0,0]=3 20846 B10R2.410 C1CC1CSCC2CS2 62a_100000031435_100000742324 [0,0,0,2,0,0|1,1,0]=4 20847 B10R2.410 C1CC1CSCC2CS2 62a_100000756562_100000031435 [0,0,0,2,0,0|1,1,0]=4 20848 B10R2.410 C1CC1CSC[C@@H]2CO2 62a_100000745022_100000742324 [0,0,0,2,0,0|1,0,0]=3 20849 B10R2.410 C1CC1CSC[C@@H]2CO2 62a_100000756562_100000745022 [0,0,0,2,0,0|1,0,0]=3 20850 B10R2.410 C1OC1CSCC2CO2 62a_102125554688_102125554688 [0,0,0,2,0,0|2,0,0]=4 20851 B10R2.410 C1OC1CSCC2CS2 62a_100000031435_102125554688 [0,0,0,2,0,0|2,0,0]=4 20852 B10R2.410 C1OC1CSCC2CS2 62a_102125554688_100000031435 [0,0,0,2,0,0|2,0,0]=4 20853 B10R2.410 C1OC1CSC[C@@H]2CO2 62a_100000745022_102125554688 [0,0,0,2,0,0|2,0,0]=4 20854 B10R2.410 C1OC1CSC[C@@H]2CO2 62a_102125554688_100000745022 [0,0,0,2,0,0|2,0,0]=4 20855 B10R2.410 C1O[C@@H]1CSC[C@@H]2CO2 62a_100000745022_100000745022 [0,0,0,2,0,0|2,0,0]=4