0 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,0,0,0,0,0|2,1,1]=4 12 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 C#CCSCCCF 62a_100000038162_100011934791 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,0,0,0,0,0|2,1,1]=4 29 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,0,0,0,0,0|3,1,0]=4 50 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,0,0,0,0,0|3,1,0]=4 51 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,0,0,0,0,0|3,1,0]=4 52 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,0,0,0,0,0|3,1,0]=4 53 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,0,0,0,0,0|3,1,0]=4 54 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,0,0,0,0,0|3,1,0]=4 55 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,0,0,0,0,0|3,1,0]=4 56 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,0,0,0,0,0|2,1,0]=3 57 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,0,0,0,0,0|2,1,0]=3 58 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,0,0,0,0,0|3,0,0]=3 63 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,0,0,0,0,0|2,0,0]=2 67 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,0,0,0,0,0|2,0,0]=2 68 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,0,0,0,0,0|4,0,0]=4 69 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,0,0,0,0,0|3,1,0]=4 75 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,0,0,0,0,0|3,1,0]=4 76 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,0,0,0,0,0|3,1,0]=4 77 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,0,0,0,0,0|3,1,0]=4 78 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,0,0,0,0,0|3,1,0]=4 79 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,0,0,0,0,0|2,1,0]=3 80 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,0,0,0,0,0|3,0,0]=3 84 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,0,0,0,0,0|2,0,0]=2 85 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,0,0,0,0,0|2,0,0]=2 86 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,0,0,0,0,0|4,0,0]=4 107 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,0,0,0,0,0|4,0,0]=4 108 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,0,0,0,0,0|3,1,0]=4 114 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,0,0,0,0,0|3,1,0]=4 115 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,0,0,0,0,0|3,1,0]=4 116 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,0,0,0,0,0|3,1,0]=4 117 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,0,0,0,0,0|3,1,0]=4 118 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,0,0,0,0,0|4,0,0]=4 120 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,0,0,0,0,0|4,0,0]=4 121 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,0,0,0,0,0|4,0,0]=4 123 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,0,0,0,0,0|3,1,0]=4 124 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,0,0,0,0,0|3,1,0]=4 125 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,0,0,0,0,0|4,0,0]=4 126 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,0,0,0,0,0|4,0,0]=4 130 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,0,0,0,0,0|4,0,0]=4 131 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,0,0,0,0,0|3,0,0]=3 132 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,0,0,0,0,0|3,0,0]=3 133 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,0,0,0,0,0|4,0,0]=4 134 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,0,0,0,0,0|4,0,0]=4 135 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,0,0,0,0,0|4,0,0]=4 136 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,0,0,0,0,0|4,0,0]=4 137 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,0,0,0,0,0|4,0,0]=4 138 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,0,0,0,0,0|3,1,0]=4 139 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,0,0,0,0,0|3,1,0]=4 140 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,0,0,0,0,0|3,1,0]=4 141 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,0,0,0,0,0|3,1,0]=4 142 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,0,0,0,0,0|4,0,0]=4 144 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,0,0,0,0,0|4,0,0]=4 147 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,0,0,0,0,0|4,0,0]=4 148 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,0,0,0,0,0|3,0,0]=3 150 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,0,0,0,0,0|4,0,0]=4 151 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,0,0,0,0,0|4,0,0]=4 152 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,0,0,0,0,0|4,0,0]=4 153 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,0,0,0,0,0|3,1,0]=4 154 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,0,0,0,0,0|3,1,0]=4 155 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,0,0,0,0,0|3,0,0]=3 156 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,0,0,0,0,0|3,1,0]=4 158 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,0,0,0,0,0|3,1,0]=4 159 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,0,0,0,0,0|2,0,1]=3 163 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,0,0,0,0,0|2,0,1]=3 164 B7R0.1 N#CCSCCCF 62a_100011215382_100011934791 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.1 N#CCSCCCF 62a_100011934791_100011215382 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,0,0,0,0,0|2,0,1]=3 168 B7R0.1 N#CSCSCCO 62a_100000211825_100000211926 [0,0,0,0,0,0|3,0,1]=4 169 B7R0.1 N#CSCSCCO 62a_100000211926_100000211825 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,0,0,0,0,0|3,1,0]=4 171 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,0,0,0,0,0|2,1,0]=3 172 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,0,0,0,0,0|3,1,0]=4 173 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,0,0,0,0,0|2,1,0]=3 174 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,0,0,0,0,0|3,1,0]=4 175 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,0,0,0,0,0|2,0,2]=4 176 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,0,0,0,0,0|2,0,2]=4 177 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,0,0,0,0,0|1,0,2]=3 178 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,0,0,0,0,0|1,0,2]=3 179 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,0,0,0,0,0|4,0,0]=4 180 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,0,0,0,0,0|4,0,0]=4 181 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,0,0,0,0,0|4,0,0]=4 182 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,0,0,0,0,0|2,0,0]=2 184 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,0,0,0,0,0|2,0,0]=2 185 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,0,0,0,0,0|2,1,0]=3 186 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,0,0,0,0,0|2,0,0]=2 187 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,0,0,0,0,0|2,0,0]=2 188 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,0,0,0,0,0|1,0,0]=1 189 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,0,0,0,0,0|1,0,0]=1 190 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,0,0,0,0,0|3,0,0]=3 191 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,0,0,0,0,0|3,0,0]=3 192 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,0,0,0,0,0|3,0,0]=3 193 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,0,0,0,0,0|3,0,0]=3 194 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,0,0,0,0,0|2,1,0]=3 195 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,0,0,0,0,0|2,1,0]=3 196 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,0,0,0,0,0|2,1,0]=3 197 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,0,0,0,0,0|2,0,0]=2 198 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,0,0,0,0,0|2,0,0]=2 199 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,0,0,0,0,0|4,0,0]=4 200 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,0,0,0,0,0|4,0,0]=4 201 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,0,0,0,0,0|3,1,0]=4 202 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,0,0,0,0,0|3,1,0]=4 203 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,0,0,0,0,0|3,0,0]=3 204 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,0,0,0,0,0|4,0,0]=4 205 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,0,0,0,0,0|4,0,0]=4 206 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,0,0,0,0,0|3,1,0]=4 207 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,0,0,0,0,0|3,1,0]=4 208 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [1,0,0,0,0,0|1,1,1]=4 214 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,1,1]=4 223 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,0,1]=3 228 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,0,1]=3 229 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,1,0]=4 234 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,1,0]=4 235 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,1,0]=4 236 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,0,0]=3 237 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,0,0]=3 238 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|3,0,0]=4 239 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|3,0,0]=4 240 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|2,0,0]=3 243 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|2,1,0]=4 244 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|2,1,0]=4 245 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|2,1,0]=4 246 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|2,1,0]=4 247 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,1,0]=3 248 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,2]=4 251 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|2,0,0]=3 253 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,0]=2 256 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,0]=2 257 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,1,0]=4 266 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,1,0]=4 267 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,1,0]=4 268 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,1,0]=4 269 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,1,0]=4 270 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|1,1,0]=3 271 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|3,0,0]=4 272 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,0]=3 276 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,0]=3 277 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|1,0,0]=2 278 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|1,0,0]=2 279 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|3,0,0]=4 289 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|2,0,0]=3 315 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [1,0,0,0,0,0|2,1,0]=4 320 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [1,0,0,0,0,0|1,0,1]=3 325 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [1,0,0,0,0,0|1,0,1]=3 326 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,0,0,0,0,0|2,1,0]=4 327 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,0,0,0,0|1,1,0]=3 328 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|1,0,2]=4 329 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|1,0,2]=4 330 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|1,0,2]=4 331 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|1,0,2]=4 332 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|0,0,2]=3 333 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|0,0,2]=3 334 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|2,0,0]=3 335 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|2,0,0]=3 336 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,0,0,0,0|2,0,0]=3 337 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,0,0,0,0|1,0,0]=2 340 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,0,0,0,0|1,0,0]=2 341 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,0,0,0,0|1,1,0]=3 342 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,0,0,0,0|1,0,0]=2 343 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,0,0,0,0|1,0,0]=2 344 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,0,0,0,0|0,0,0]=1 345 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|3,0,0]=4 346 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|3,0,0]=4 347 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.1 C#CCSC(C)CCO 62a_100000038162_100009893172 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,1,0,0,0,0|2,0,1]=4 351 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.1 CC(CC#N)SCCO 62a_100000211926_100009813641 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.1 CC(CC#N)SCCO 62a_100009813641_100000211926 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,1,0,0,0,0|2,1,0]=4 355 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,1,0,0,0,0|2,0,0]=3 357 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,1,0,0,0,0|2,0,0]=3 358 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,1,0,0,0,0|2,1,0]=4 359 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,1,0,0,0,0|2,1,0]=4 360 B8R0.1 CC(CCO)SCC#N 62a_100009893172_100011215382 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.1 CC(CCO)SCC#N 62a_100011215382_100009893172 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,1,0,0,0,0|1,0,2]=4 363 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,1,0,0,0,0|1,0,2]=4 364 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,1,0,0,0,0|2,0,0]=3 365 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,1,0,0,0,0|2,0,0]=3 366 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,0,0,0,0|1,0,0]=2 367 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,0,0,0,0|1,0,0]=2 368 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|2,1,0]=4 376 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|2,1,0]=4 377 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,0,0,0,0|2,0,0]=3 380 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|3,0,0]=4 383 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,1,0,0,0,0|3,0,0]=4 385 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,1,0,0,0,0|3,0,0]=4 395 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|3,0,0]=4 396 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,1,0,0,0,0|3,0,0]=4 397 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,1,0,0,0,0|3,0,0]=4 398 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|2,1,0]=4 399 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|3,0,0]=4 400 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|3,0,0]=4 401 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,0,0,0,0|2,0,0]=3 403 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [0,1,0,0,0,0|3,0,0]=4 404 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [0,1,0,0,0,0|3,0,0]=4 407 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,1,0,0,0,0|2,0,0]=3 411 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,1,0,0,0,0|2,0,0]=3 412 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,1,0,0,0,0|2,0,0]=3 422 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|2,0,0]=3 423 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|2,0,0]=3 426 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [0,1,0,0,0,0|2,1,0]=4 434 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [0,1,0,0,0,0|2,1,0]=4 435 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,1,0,0,0,0|3,0,0]=4 437 B8R0.4 C#CCCCSCCF 62a_100011215417_100011217306 [0,1,0,0,0,0|3,0,0]=4 438 B8R0.4 C#CCCCSCCF 62a_100011217306_100011215417 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,1,0,0,0,0|2,0,0]=3 441 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [0,1,0,0,0,0|3,0,0]=4 442 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [0,1,0,0,0,0|2,1,0]=4 443 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,1,0,0,0,0|3,0,0]=4 445 B8R0.4 C#CCCSCCCF 62a_100000688953_100011934791 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.4 C#CCCSCCCF 62a_100011934791_100000688953 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,1,0,0,0,0|2,0,0]=3 448 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,1,0,0,0,0|2,0,0]=3 449 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,1,0,0,0,0|3,0,0]=4 457 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,1,0,0,0,0|3,0,0]=4 458 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,1,0,0,0,0|2,1,0]=4 460 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,1,0,0,0,0|2,1,0]=4 461 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,1,0,0,0,0|2,0,0]=3 467 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,1,0,0,0,0|3,0,0]=4 468 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,1,0,0,0,0|2,1,0]=4 469 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,1,0,0,0,0|3,0,0]=4 470 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,1,0,0,0,0|3,0,0]=4 471 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,1,0,0,0,0|3,0,0]=4 472 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,1,0,0,0,0|3,0,0]=4 473 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,0,0,0,0|2,0,0]=3 474 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,0,0,0,0|2,0,0]=3 475 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,1,0,0,0,0|3,0,0]=4 492 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,1,0,0,0,0|3,0,0]=4 493 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,1,0,0,0,0|3,0,0]=4 498 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,1,0,0,0,0|3,0,0]=4 499 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,1,0,0,0,0|3,0,0]=4 502 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,1,0,0,0,0|3,0,0]=4 503 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,1,0,0,0,0|3,0,0]=4 504 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,1,0,0,0,0|2,1,0]=4 505 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,1,0,0,0,0|2,1,0]=4 506 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,1,0,0,0,0|3,0,0]=4 507 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,1,0,0,0,0|3,0,0]=4 509 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,1,0,0,0,0|3,0,0]=4 510 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,1,0,0,0,0|3,0,0]=4 513 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,1,0,0,0,0|3,0,0]=4 515 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,1,0,0,0,0|3,0,0]=4 517 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,1,0,0,0,0|2,1,0]=4 518 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,1,0,0,0,0|2,1,0]=4 519 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,1,0,0,0,0|2,1,0]=4 520 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,1,0,0,0,0|2,1,0]=4 521 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,1,0,0,0,0|2,1,0]=4 522 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,1,0,0,0,0|2,1,0]=4 523 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,1,0,0,0,0|2,1,0]=4 524 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,1,0,0,0,0|2,1,0]=4 525 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,1,0,0,0,0|2,1,0]=4 526 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,1,0,0,0,0|2,1,0]=4 527 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,1,0,0,0,0|2,1,0]=4 528 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,1,0,0,0,0|3,0,0]=4 529 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,1,0,0,0,0|3,0,0]=4 530 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,1,0,0,0,0|3,0,0]=4 531 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,1,0,0,0,0|3,0,0]=4 532 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,1,0,0,0,0|3,0,0]=4 533 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,1,0,0,0,0|2,0,0]=3 535 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,1,0,0,0,0|3,0,0]=4 536 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,1,0,0,0,0|2,0,0]=3 539 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,1,0,0,0,0|2,0,0]=3 543 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,1,0,0,0,0|2,1,0]=4 544 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,1,0,0,0,0|2,1,0]=4 545 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,1,0,0,0,0|3,0,0]=4 546 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,1,0,0,0,0|3,0,0]=4 547 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,1,0,0,0,0|2,1,0]=4 551 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,1,0,0,0,0|2,1,0]=4 552 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,1,0,0,0,0|2,1,0]=4 553 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,1,0,0,0,0|2,0,0]=3 562 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,1,0,0,0,0|2,0,0]=3 563 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,1,0,0,0,0|3,0,0]=4 575 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,1,0,0,0,0|2,1,0]=4 578 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,1,0,0,0,0|2,1,0]=4 579 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,1,0,0,0,0|2,1,0]=4 580 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,1,0,0,0,0|2,0,0]=3 581 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,1,0,0,0,0|3,0,0]=4 582 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,1,0,0,0,0|2,1,0]=4 587 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,1,0,0,0,0|2,1,0]=4 588 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,1,0,0,0,0|2,1,0]=4 589 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,1,0,0,0,0|2,1,0]=4 605 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,1,0,0,0,0|2,1,0]=4 606 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,1,0,0,0,0|2,1,0]=4 607 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,1,0,0,0,0|2,1,0]=4 608 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,1,0,0,0,0|2,0,0]=3 611 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,1,0,0,0,0|2,0,0]=3 612 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,1,0,0,0,0|2,1,0]=4 618 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,1,0,0,0,0|3,0,0]=4 629 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,1,0,0,0,0|2,0,0]=3 632 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,1,0,0,0,0|2,1,0]=4 633 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,1,0,0,0,0|2,1,0]=4 634 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,1,0,0,0,0|2,1,0]=4 635 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,1,0,0,0,0|1,1,0]=3 636 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,1,0,0,0,0|1,0,2]=4 639 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,1,0,0,0,0|1,0,2]=4 640 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,1,0,0,0,0|2,0,0]=3 641 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,1,0,0,0,0|2,0,0]=3 642 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,1,0,0,0,0|1,0,0]=2 643 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,1,0,0,0,0|1,0,0]=2 644 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,1,0,0,0,0|2,1,0]=4 653 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,1,0,0,0,0|2,1,0]=4 654 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,1,0,0,0,0|2,1,0]=4 655 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,1,0,0,0,0|2,1,0]=4 656 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,1,0,0,0,0|2,1,0]=4 657 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,1,0,0,0,0|1,1,0]=3 658 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,1,0,0,0,0|2,0,0]=3 661 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,1,0,0,0,0|1,0,0]=2 663 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,1,0,0,0,0|1,0,0]=2 664 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,1,0,0,0,0|3,0,0]=4 666 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,1,0,0,0,0|3,0,0]=4 667 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,1,0,0,0,0|3,0,0]=4 668 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,1,0,0,0,0|3,0,0]=4 669 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,1,0,0,0,0|2,1,0]=4 671 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,1,0,0,0,0|2,1,0]=4 672 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,1,0,0,0,0|2,1,0]=4 673 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,1,0,0,0,0|1,2,0]=4 674 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,1,0,0,0,0|1,2,0]=4 675 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,1,0,0,0,0|2,1,0]=4 676 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,1,0,0,0,0|1,2,0]=4 677 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,1,0,0,0,0|1,2,0]=4 678 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,1,0,0,0,0|2,1,0]=4 679 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,1,0,0,0,0|2,1,0]=4 680 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,1,0,0,0,0|1,1,0]=3 681 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,1,0,0,0,0|1,1,0]=3 682 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.4 N#CCCCSCCF 62a_100000687738_100011217306 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.4 N#CCCCSCCF 62a_100011217306_100000687738 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.4 N#CCCSCCCF 62a_100011215226_100011934791 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.4 N#CCCSCCCF 62a_100011934791_100011215226 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,1,0,0,0,0|2,0,0]=3 695 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,1,0,0,0,0|2,0,0]=3 696 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.4 N#CSCCSCCO 62a_100000034367_100000211926 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.4 N#CSCCSCCO 62a_100000211926_100000034367 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.4 N#CSCSCCCO 62a_100000211825_100011215043 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.4 N#CSCSCCCO 62a_100011215043_100000211825 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,1,0,0,0,0|2,1,0]=4 703 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,1,0,0,0,0|2,1,0]=4 704 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,1,0,0,0,0|2,1,0]=4 705 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [0,1,0,0,0,0|2,1,0]=4 706 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,1,0,0,0,0|1,1,0]=3 707 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,1,0,0,0,0|1,0,1]=3 711 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,1,0,0,0,0|1,0,1]=3 712 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,1,0,0,0,0|1,0,2]=4 713 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,1,0,0,0,0|1,0,2]=4 714 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [0,1,0,0,0,0|2,0,1]=4 715 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.4 OCC#CCSCCF 62a_100011217306_200000047223 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.4 OCC#CCSCCF 62a_200000047223_100011217306 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [0,1,0,0,0,0|1,0,1]=3 719 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [0,1,0,0,0,0|1,0,1]=3 720 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,1,0,0,0,0|2,1,0]=4 731 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,1,0,0,0,0|2,0,0]=3 733 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,1,0,0,0,0|1,0,0]=2 734 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,1,0,0,0,0|1,0,0]=2 735 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,1,0,0,0,0|3,0,0]=4 736 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,1,0,0,0,0|2,1,0]=4 738 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,1,0,0,0,0|2,1,0]=4 739 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,1,0,0,0,0|2,1,0]=4 740 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,1,0,0,0,0|1,0,0]=2 743 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,1,0,0,0,0|3,0,0]=4 745 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,1,0,0,0,0|2,1,0]=4 746 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,1,0,0,0,0|2,1,0]=4 747 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,1,0,0,0,0|2,1,0]=4 748 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,1,0,0,0,0|2,1,0]=4 749 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,1,0,0,0,0|2,1,0]=4 750 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,1,0,0,0,0|2,1,0]=4 751 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [0,1,0,0,0,0|2,1,0]=4 752 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [0,1,0,0,0,0|2,1,0]=4 753 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [0,1,0,0,0,0|2,1,0]=4 754 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,1,0,0,0,0|3,0,0]=4 762 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,1,0,0,0,0|3,0,0]=4 763 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,1,0,0,0,0|3,0,0]=4 764 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,1,0,0,0,0|3,0,0]=4 765 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,1,0,0,0,0|2,1,0]=4 766 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,1,0,0,0,0|2,1,0]=4 767 B8R0.6 C#CC(C)SCCCO 62a_200000035995_100011215043 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.6 C#CCCSC(C)CO 62a_100012180447_100000688953 [0,1,0,0,0,0|2,0,1]=4 769 B8R0.6 C#CCCS[C@H](C)CO 62a_100000688953_100016084084 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.6 C#CCCS[C@H](C)CO 62a_100016084084_100000688953 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.6 C#CCSC[C@@H](C)CO 62a_100000038162_100000059175 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.6 CC(C#N)SCCCO 62a_100000703298_100011215043 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.6 CC(C#N)SCCCO 62a_100011215043_100000703298 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,1,0,0,0,0|2,1,0]=4 790 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,1,0,0,0,0|2,1,0]=4 791 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,1,0,0,0,0|2,1,0]=4 792 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|2,1,0]=4 793 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,1,0,0,0,0|2,0,0]=3 795 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,1,0,0,0,0|3,0,0]=4 796 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,1,0,0,0,0|3,0,0]=4 797 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,1,0,0,0,0|2,1,0]=4 798 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,1,0,0,0,0|2,1,0]=4 799 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,1,0,0,0,0|2,1,0]=4 800 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,1,0,0,0,0|2,1,0]=4 801 B8R0.6 CC(CO)SCCC#N 62a_100012180447_100011215226 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,1,0,0,0,0|2,0,0]=3 803 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,0,0,0,0|1,0,0]=2 804 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,1,0,0,0,0|3,0,0]=4 811 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,0,0,0,0|2,0,0]=3 813 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,0,0,0,0|2,1,0]=4 816 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,1,0,0,0,0|3,0,0]=4 818 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,0,0,0,0|2,0,0]=3 819 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,0,0,0,0|2,0,0]=3 820 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,0,0,0,0|3,0,0]=4 821 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,0,0,0,0|3,0,0]=4 822 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,0,0,0,0|3,0,0]=4 823 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,0,0,0,0|2,0,0]=3 826 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,0,0,0,0|2,0,0]=3 827 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,1,0,0,0,0|3,0,0]=4 830 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,1,0,0,0,0|2,1,0]=4 831 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,1,0,0,0,0|2,1,0]=4 832 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,0,0,0,0|2,0,0]=3 836 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,0,0,0,0|2,0,0]=3 837 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,0,0,0,0|2,1,0]=4 841 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,0,0,0,0|2,1,0]=4 842 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,0,0,0,0|2,1,0]=4 843 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|3,0,0]=4 844 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|3,0,0]=4 851 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,0,0,0,0|2,0,0]=3 853 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,0,0,0,0|2,0,0]=3 856 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,1,0,0,0,0|3,0,0]=4 860 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,1,0,0,0,0|3,0,0]=4 861 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,0,0,0,0|2,1,0]=4 863 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,0,0,0,0|2,0,0]=3 866 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,0,0,0,0|2,0,0]=3 867 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,1,0,0,0,0|3,0,0]=4 873 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,1,0,0,0,0|3,0,0]=4 874 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,1,0,0,0,0|3,0,0]=4 876 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,1,0,0,0,0|3,0,0]=4 880 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,1,0,0,0,0|3,0,0]=4 882 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,1,0,0,0,0|2,1,0]=4 891 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,1,0,0,0,0|2,1,0]=4 892 B8R0.6 C[C@@H](CO)CSCC#N 62a_100000059175_100011215382 [0,1,0,0,0,0|2,0,1]=4 893 B8R0.6 C[C@@H](CO)CSCC#N 62a_100011215382_100000059175 [0,1,0,0,0,0|2,0,1]=4 894 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,0,0,0,0|1,0,2]=4 895 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,0,0,0,0|1,0,2]=4 896 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,0,0,0,0|1,0,0]=2 899 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,0,0,0,0|1,0,0]=2 900 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,1,0,0,0,0|3,0,0]=4 901 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.6 C[C@H](CO)SCCC#N 62a_100011215226_100016084084 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.6 C[C@H](CO)SCCC#N 62a_100016084084_100011215226 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,1,0,0,0,0|2,0,0]=3 905 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,0,0,0,0|1,0,0]=2 907 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,0,0,0,0|1,0,0]=2 908 B8R0.6 N#CC(F)SCCCO 62a_100011215043_200000117898 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.6 N#CC(F)SCCCO 62a_200000117898_100011215043 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,1,0,0,0,0|2,1,0]=4 915 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,1,0,0,0,0|2,1,0]=4 916 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,1,0,0,0,0|2,1,0]=4 917 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|2,0,1]=4 919 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,0,0,0,0|1,0,2]=4 922 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,0,0,0,0|1,0,2]=4 923 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,0,0,0,0|1,0,2]=4 924 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,0,0,0,0|1,0,2]=4 925 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,1,0,0,0,0|2,1,0]=4 927 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,1,0,0,0,0|2,0,0]=3 928 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,1,0,0,0,0|2,0,0]=3 929 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,1,0,0,0,0|2,0,0]=3 930 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,1,0,0,0,0|2,0,0]=3 931 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,1,0,0,0,0|2,0,0]=3 932 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,1,0,0,0,0|2,0,0]=3 935 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,1,0,0,0,0|2,0,0]=3 936 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,1,0,0,0,0|2,0,0]=3 937 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,1,0,0,0,0|2,1,0]=4 938 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,0,0,0,0|1,0,0]=2 939 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,0,0,0,0|1,0,0]=2 940 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,1,0,0,0,0|2,0,0]=3 941 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,1,0,0,0,0|2,0,0]=3 942 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,0,0,0,0|1,0,0]=2 943 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,0,0,0,0|1,0,0]=2 944 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,1,0,0,0,0|3,0,0]=4 946 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,1,0,0,0,0|3,0,0]=4 947 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,1,0,0,0,0|2,1,0]=4 948 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,1,0,0,0,0|2,0,0]=3 949 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,1,0,0,0,0|2,0,0]=3 950 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,1,0,0,0,0|3,0,0]=4 951 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,1,0,0,0,0|3,0,0]=4 952 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [0,1,0,0,0,0|2,0,1]=4 953 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [0,1,0,0,0,0|2,0,1]=4 954 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [0,1,0,0,0,0|2,0,1]=4 956 B8R0.7 C#CCSCCC(C)O 62a_100000038162_100012276601 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,1,0,0,0,0|2,0,1]=4 962 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,1,0,0,0,0|2,0,1]=4 963 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,1,0,0,0,0|2,0,1]=4 964 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,1,0,0,0,0|2,0,1]=4 965 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,1,0,0,0,0|2,0,1]=4 966 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,1,0,0,0,0|2,0,1]=4 967 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,1,0,0,0,0|2,0,1]=4 968 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,0,0,0,0|1,0,2]=4 970 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,0,0,0,0|1,0,2]=4 971 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,1,0,0,0,0|2,1,0]=4 972 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,1,0,0,0,0|2,1,0]=4 973 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|3,0,0]=4 974 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|3,0,0]=4 976 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|2,1,0]=4 977 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|2,1,0]=4 978 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,0,0,0,0|3,0,0]=4 979 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,0,0,0,0|3,0,0]=4 980 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|2,0,0]=3 981 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|3,0,0]=4 983 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|3,0,0]=4 984 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|3,0,0]=4 985 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|2,1,0]=4 986 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|3,0,0]=4 987 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|3,0,0]=4 988 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|2,0,0]=3 989 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|2,0,0]=3 990 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [0,1,0,0,0,0|3,0,0]=4 991 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,1,0,0,0,0|2,1,0]=4 993 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,1,0,0,0,0|3,0,0]=4 994 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,1,0,0,0,0|3,0,0]=4 995 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,1,0,0,0,0|2,0,0]=3 996 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,1,0,0,0,0|2,0,0]=3 997 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,1,0,0,0,0|2,0,0]=3 998 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,1,0,0,0,0|2,1,0]=4 999 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,0,0,0,0|2,1,0]=4 1000 B8R0.7 CC(O)CCSCC#N 62a_100011215382_100012276601 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.7 CC(O)CCSCC#N 62a_100012276601_100011215382 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,0,0,0,0|1,0,2]=4 1003 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,0,0,0,0|1,0,2]=4 1004 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,1,0,0,0,0|2,0,0]=3 1005 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,1,0,0,0,0|2,0,0]=3 1006 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,0,0,0,0|1,0,0]=2 1007 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,0,0,0,0|1,0,0]=2 1008 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,1,0,0,0,0|3,0,0]=4 1009 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,1,0,0,0,0|3,0,0]=4 1010 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,1,0,0,0,0|3,0,0]=4 1011 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,1,0,0,0,0|3,0,0]=4 1012 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,0,0,0,0|2,0,0]=3 1013 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|2,0,0]=3 1014 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,1,0,0,0,0|2,1,0]=4 1015 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,1,0,0,0,0|2,1,0]=4 1016 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,1,0,0,0,0|2,1,0]=4 1017 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,1,0,0,0,0|2,1,0]=4 1018 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,1,0,0,0,0|2,0,0]=3 1021 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,1,0,0,0,0|2,0,0]=3 1022 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,0,0,0,0|1,0,0]=2 1023 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,0,0,0,0|1,0,0]=2 1024 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,0,0,0,0|3,0,0]=4 1025 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,0,0,0,0|3,0,0]=4 1026 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,0,0,0,0|3,0,0]=4 1027 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,0,0,0,0|3,0,0]=4 1028 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,0,0,0,0|3,0,0]=4 1029 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,0,0,0,0|3,0,0]=4 1030 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,0,0,0,0|2,1,0]=4 1031 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,0,0,0,0|2,1,0]=4 1032 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,0,0,0,0|2,1,0]=4 1033 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,0,0,0,0|2,1,0]=4 1034 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|3,0,0]=4 1035 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,0,0,0,0|2,0,0]=3 1038 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,1,0,0,0,0|3,0,0]=4 1040 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,0,0,0,0|2,0,0]=3 1041 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,0,0,0,0|2,0,0]=3 1042 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,0,0,0,0|2,1,0]=4 1044 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,1,0,0,0,0|3,0,0]=4 1049 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,1,0,0,0,0|3,0,0]=4 1050 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,1,0,0,0,0|3,0,0]=4 1051 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,1,0,0,0,0|3,0,0]=4 1052 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,1,0,0,0,0|3,0,0]=4 1053 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,1,0,0,0,0|3,0,0]=4 1054 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,1,0,0,0,0|3,0,0]=4 1055 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,1,0,0,0,0|3,0,0]=4 1056 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,1,0,0,0,0|3,0,0]=4 1057 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,1,0,0,0,0|3,0,0]=4 1058 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,1,0,0,0,0|3,0,0]=4 1059 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,1,0,0,0,0|3,0,0]=4 1060 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,1,0,0,0,0|3,0,0]=4 1061 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,1,0,0,0,0|3,0,0]=4 1062 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,1,0,0,0,0|3,0,0]=4 1063 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,1,0,0,0,0|3,0,0]=4 1064 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,1,0,0,0,0|3,0,0]=4 1065 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,1,0,0,0,0|2,1,0]=4 1066 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|2,1,0]=4 1067 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,1,0,0,0,0|2,1,0]=4 1068 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,1,0,0,0,0|3,0,0]=4 1069 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,1,0,0,0,0|3,0,0]=4 1070 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,1,0,0,0,0|2,1,0]=4 1071 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,1,0,0,0,0|2,1,0]=4 1072 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,1,0,0,0,0|2,1,0]=4 1073 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,1,0,0,0,0|2,1,0]=4 1074 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [0,1,0,0,0,0|2,0,1]=4 1076 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,1,0,0,0,0|2,0,0]=3 1077 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,1,0,0,0,0|2,0,0]=3 1078 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,0,0,0,0|1,0,0]=2 1079 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,0,0,0,0|1,0,0]=2 1080 B8R0.7 FCCCSCC(F)F 62a_100011934356_100011934791 [0,1,0,0,0,0|3,0,0]=4 1081 B8R0.7 FCCCSCC(F)F 62a_100011934791_100011934356 [0,1,0,0,0,0|3,0,0]=4 1082 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,0,0,0,0|1,0,2]=4 1083 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,0,0,0,0|1,0,2]=4 1084 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,0,0,0,0|1,0,2]=4 1085 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,0,0,0,0|1,0,2]=4 1086 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,0,0,0,0|2,0,1]=4 1087 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,0,0,0,0|1,1,1]=4 1088 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,0,0,0,0|1,0,2]=4 1089 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,0,0,0,0|1,0,2]=4 1090 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.7 OCCCOCC(F)F 34a_100000743014_100000230001 [0,1,0,0,0,0|2,1,0]=4 1093 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,1,0,0,0,0|2,0,0]=3 1094 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.7 OCCOCCC(F)F 34a_100103093639_100000211926 [0,1,0,0,0,0|2,1,0]=4 1096 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,0,0,1,0,0|3,0,0]=4 1097 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,0,0,1,0,0|3,0,0]=4 1098 B8R1.9 OCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211926 [0,0,0,1,0,0|3,0,0]=4 1099 B8R1.9 OCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000211926 [0,0,0,1,0,0|3,0,0]=4 1100 B8R1.9 OCCN[C@@H]1C[C@H]1F 34a_100025746932_100000211926 [0,0,0,1,0,0|3,0,0]=4 1101 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,0,0,1,0,0|3,0,0]=4 1102 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [0,0,0,1,0,0|3,0,0]=4 1103 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,0,0,1,0,0|3,0,0]=4 1104 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [0,0,0,1,0,0|3,0,0]=4 1105 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [0,0,0,1,0,0|3,0,0]=4 1106 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [0,0,0,1,0,0|3,0,0]=4 1107 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [0,0,0,1,0,0|3,0,0]=4 1108 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,0,0,1,0,0|2,1,0]=4 1109 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,0,0,1,0,0|2,0,0]=3 1110 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [0,0,0,1,0,0|3,0,0]=4 1111 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,0,0,1,0,0|3,0,0]=4 1112 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,0,0,1,0,0|3,0,0]=4 1113 B8R1.36 BrCCOCC1CO1 34a_100000211926_102125554688 [0,0,0,1,0,0|2,1,0]=4 1114 B8R1.36 C#CCSCC1CO1 62a_100000038162_102125554688 [0,0,0,1,0,0|2,0,1]=4 1115 B8R1.36 C#CCSC[C@@H]1CO1 62a_100000038162_100000745022 [0,0,0,1,0,0|2,0,1]=4 1116 B8R1.36 C=CCSCC1CO1 62a_100000210623_102125554688 [0,0,0,1,0,0|2,0,1]=4 1117 B8R1.36 C=CCSCC1CO1 62a_102125554688_100000210623 [0,0,0,1,0,0|2,0,1]=4 1118 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000210623_100000745022 [0,0,0,1,0,0|2,0,1]=4 1119 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000745022_100000210623 [0,0,0,1,0,0|2,0,1]=4 1120 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [0,0,0,1,0,0|3,0,0]=4 1121 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,0,0,1,0,0|2,1,0]=4 1122 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,0,0,1,0,0|2,1,0]=4 1123 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [0,0,0,1,0,0|3,0,0]=4 1124 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [0,0,0,1,0,0|3,0,0]=4 1125 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,0,0,1,0,0|2,0,0]=3 1126 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,0,0,1,0,0|2,0,0]=3 1127 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,0,0,1,0,0|2,1,0]=4 1128 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,0,0,1,0,0|2,1,0]=4 1129 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,0,0,1,0,0|2,0,0]=3 1130 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,0,0,1,0,0|2,0,0]=3 1131 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [0,0,0,1,0,0|3,0,0]=4 1132 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [0,0,0,1,0,0|3,0,0]=4 1133 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [0,0,0,1,0,0|3,0,0]=4 1134 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [0,0,0,1,0,0|3,0,0]=4 1135 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [0,0,0,1,0,0|3,0,0]=4 1136 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [0,0,0,1,0,0|3,0,0]=4 1137 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [0,0,0,1,0,0|3,0,0]=4 1138 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [0,0,0,1,0,0|3,0,0]=4 1139 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [0,0,0,1,0,0|3,0,0]=4 1140 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [0,0,0,1,0,0|3,0,0]=4 1141 B8R1.36 FCCOC[C@@H]1CO1 34a_100000757423_100011217306 [0,0,0,1,0,0|2,1,0]=4 1142 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [0,0,0,1,0,0|3,0,0]=4 1143 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [0,0,0,1,0,0|3,0,0]=4 1144 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [0,0,0,1,0,0|2,0,0]=3 1145 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [0,0,0,1,0,0|2,0,0]=3 1146 B8R1.36 FCCSCC1CS1 62a_100000031435_100011217306 [0,0,0,1,0,0|2,1,0]=4 1147 B8R1.36 FCCSCC1CS1 62a_100011217306_100000031435 [0,0,0,1,0,0|2,1,0]=4 1148 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [0,0,0,1,0,0|2,0,0]=3 1149 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [0,0,0,1,0,0|2,0,0]=3 1150 B8R1.36 N#CCSCC1CO1 62a_100011215382_102125554688 [0,0,0,1,0,0|2,0,1]=4 1151 B8R1.36 N#CCSCC1CO1 62a_102125554688_100011215382 [0,0,0,1,0,0|2,0,1]=4 1152 B8R1.36 N#CCSC[C@@H]1CO1 62a_100000745022_100011215382 [0,0,0,1,0,0|2,0,1]=4 1153 B8R1.36 N#CCSC[C@@H]1CO1 62a_100011215382_100000745022 [0,0,0,1,0,0|2,0,1]=4 1154 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [0,0,0,1,0,0|2,1,0]=4 1155 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,0,0,1,0,0|1,0,2]=4 1156 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,0,0,1,0,0|1,0,2]=4 1157 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,0,0,1,0,0|1,0,2]=4 1158 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,0,0,1,0,0|1,0,2]=4 1159 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [0,0,0,1,0,0|3,0,0]=4 1160 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,0,0,1,0,0|2,0,0]=3 1161 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [0,0,0,1,0,0|3,0,0]=4 1162 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [0,0,0,1,0,0|3,0,0]=4 1163 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [0,0,0,1,0,0|3,0,0]=4 1164 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [0,0,0,1,0,0|3,0,0]=4 1165 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [0,0,0,1,0,0|3,0,0]=4 1166 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [0,0,0,1,0,0|2,0,0]=3 1167 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [0,0,0,1,0,0|2,0,0]=3 1168 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [0,0,0,1,0,0|2,1,0]=4 1169 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [0,0,0,1,0,0|1,1,0]=3 1170 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [0,0,0,1,0,0|2,0,0]=3 1171 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [0,0,0,1,0,0|2,0,0]=3 1172 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [0,0,0,1,0,0|1,0,0]=2 1173 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [0,0,0,1,0,0|1,0,0]=2 1174 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [0,0,0,1,0,0|1,1,0]=3 1175 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [0,0,0,1,0,0|1,1,0]=3 1176 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [0,0,0,1,0,0|1,0,0]=2 1177 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [0,0,0,1,0,0|1,0,0]=2 1178 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [2,0,0,0,0,0|1,0,1]=4 1179 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 1180 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 1181 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 1182 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 1183 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 1184 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 1185 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|2,0,0]=4 1186 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,1,0]=4 1187 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,1,0]=4 1188 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,0]=3 1189 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,0]=3 1190 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 1191 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 1192 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 1193 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 1194 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,0]=3 1195 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,0]=3 1196 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,0]=3 1197 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,1,0]=4 1198 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,1,0]=4 1199 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,1,0]=4 1200 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|0,1,0]=3 1201 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [2,0,0,0,0,0|1,0,1]=4 1202 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [2,0,0,0,0,0|1,0,1]=4 1203 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|0,0,2]=4 1204 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|0,0,2]=4 1205 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|1,0,0]=3 1206 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|1,0,0]=3 1207 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|0,0,0]=2 1208 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|0,0,0]=2 1209 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|2,0,0]=4 1210 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|2,0,0]=4 1211 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|2,0,0]=4 1212 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|2,0,0]=4 1213 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|2,0,0]=4 1214 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|2,0,0]=4 1215 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|2,0,0]=4 1216 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,1,0]=4 1217 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 1218 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 1219 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,0]=3 1220 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,0]=3 1221 B5R0.2 FCCSCF 62a_100011217306_100015361967 [2,0,0,0,0,0|2,0,0]=4 1222 B5R0.2 FCCSCF 62a_100015361967_100011217306 [2,0,0,0,0,0|2,0,0]=4 1223 B5R0.2 OCCNCF 34a_100016990907_100015361967 [2,0,0,0,0,0|2,0,0]=4 1224 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|1,0,0]=3 1225 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|1,0,0]=3 1226 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 1227 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 1228 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,0]=3 1229 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,0]=3 1230 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [1,1,0,0,0,0|1,0,1]=4 1232 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|1,0,1]=4 1236 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,1,0,0,0,0|1,1,0]=4 1239 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,1,0,0,0,0|1,1,0]=4 1240 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,1,0]=4 1241 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,1,0,0,0,0|2,0,0]=4 1242 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|1,0,0]=3 1243 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|1,0,0]=3 1244 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,1,0,0,0,0|1,1,0]=4 1245 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,1,0,0,0,0|1,1,0]=4 1246 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|0,0,2]=4 1248 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,1,0,0,0,0|1,0,0]=3 1249 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|0,0,0]=2 1250 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|2,0,0]=4 1251 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 1252 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 1253 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|2,0,0]=4 1254 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|2,0,0]=4 1255 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|2,0,0]=4 1256 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,1,0]=4 1257 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|2,0,0]=4 1258 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|2,0,0]=4 1259 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,0]=3 1260 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,0]=3 1261 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|2,0,0]=4 1262 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|1,1,0]=4 1263 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,0,0]=3 1266 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,0,0]=3 1267 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,0,0]=3 1268 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1269 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|2,0,0]=4 1270 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|2,0,0]=4 1271 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|2,0,0]=4 1272 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|2,0,0]=4 1273 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,1,0,0,0,0|2,0,0]=4 1274 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|2,0,0]=4 1275 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,1,0,0,0,0|2,0,0]=4 1276 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,1,0,0,0,0|2,0,0]=4 1277 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,1,0,0,0,0|2,0,0]=4 1278 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|1,1,0]=4 1279 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|1,1,0]=4 1280 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|1,1,0]=4 1281 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|2,0,0]=4 1282 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|2,0,0]=4 1283 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|2,0,0]=4 1284 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|2,0,0]=4 1285 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|1,0,0]=3 1286 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|1,0,0]=3 1287 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|2,0,0]=4 1288 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|2,0,0]=4 1289 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|1,0,0]=3 1290 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|1,0,0]=3 1291 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|1,0,0]=3 1294 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|1,0,0]=3 1295 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|2,0,0]=4 1297 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|2,0,0]=4 1298 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|2,0,0]=4 1299 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|1,0,0]=3 1307 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [1,1,0,0,0,0|1,0,1]=4 1308 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [1,1,0,0,0,0|1,0,1]=4 1309 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|0,0,2]=4 1310 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|0,0,2]=4 1311 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,1,0,0,0,0|1,0,0]=3 1312 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,1,0,0,0,0|1,0,0]=3 1313 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|0,0,0]=2 1314 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|0,0,0]=2 1315 B7R0.3 N#CC(F)SCCO 62a_100000211926_200000117898 [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.3 N#CC(F)SCCO 62a_200000117898_100000211926 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,0,1]=4 1318 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|1,0,1]=4 1319 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|1,0,1]=4 1320 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [1,1,0,0,0,0|2,0,0]=4 1324 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [1,1,0,0,0,0|1,0,1]=4 1325 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|1,0,1]=4 1327 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [1,1,0,0,0,0|1,0,1]=4 1330 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,1,0,0,0,0|1,0,1]=4 1333 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,1,0,0,0,0|1,0,1]=4 1334 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|1,1,0]=4 1335 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,1,0,0,0,0|2,0,0]=4 1338 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|1,1,0]=4 1341 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,1,0,0,0,0|2,0,0]=4 1342 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,1,0,0,0,0|2,0,0]=4 1343 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|1,0,0]=3 1344 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|1,0,0]=3 1345 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,1,0,0,0,0|2,0,0]=4 1346 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,1,0,0,0,0|2,0,0]=4 1347 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|1,1,0]=4 1348 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,1,0,0,0,0|1,0,0]=3 1351 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,1,0,0,0,0|1,0,0]=3 1352 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|1,1,0]=4 1353 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,1,0,0,0,0|2,0,0]=4 1354 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,1,0,0,0,0|1,0,0]=3 1359 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,1,0,0,0,0|1,0,0]=3 1360 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,0]=3 1361 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,1,0,0,0,0|1,0,0]=3 1362 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,1,0,0,0,0|1,1,0]=4 1363 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,1,0,0,0,0|1,1,0]=4 1364 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [1,1,0,0,0,0|1,0,1]=4 1365 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [1,1,0,0,0,0|1,0,1]=4 1366 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,1,0,0,0,0|0,0,2]=4 1367 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,1,0,0,0,0|0,0,2]=4 1368 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,1,0,0,0,0|1,0,0]=3 1369 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,1,0,0,0,0|1,0,0]=3 1370 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|0,0,0]=2 1371 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|0,0,0]=2 1372 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|2,0,0]=4 1373 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|2,0,0]=4 1375 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|1,1,0]=4 1377 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|1,1,0]=4 1378 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|2,0,0]=4 1379 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|1,0,0]=3 1381 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|1,0,0]=3 1382 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [1,1,0,0,0,0|2,0,0]=4 1384 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|1,0,0]=3 1385 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|1,0,0]=3 1386 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|2,0,0]=4 1387 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|2,0,0]=4 1388 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,1,0]=4 1389 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|2,0,0]=4 1390 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|2,0,0]=4 1391 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,0]=3 1392 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,0]=3 1393 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,1,0,0,0,0|2,0,0]=4 1395 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|1,1,0]=4 1402 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|1,1,0]=4 1403 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,1,0,0,0,0|1,0,0]=3 1405 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,1,0,0,0,0|1,0,0]=3 1406 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,1,0,0,0,0|1,1,0]=4 1407 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,1,0,0,0,0|1,1,0]=4 1408 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [1,1,0,0,0,0|1,0,1]=4 1410 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,1,0,0,0,0|0,0,2]=4 1411 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,1,0,0,0,0|0,0,2]=4 1412 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,1,0,0,0,0|1,0,0]=3 1413 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,1,0,0,0,0|1,0,0]=3 1414 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|0,0,0]=2 1415 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|0,0,0]=2 1416 B7R0.4 FCCSCC(F)F 62a_100011217306_100011934356 [1,1,0,0,0,0|2,0,0]=4 1417 B7R0.4 FCCSCC(F)F 62a_100011934356_100011217306 [1,1,0,0,0,0|2,0,0]=4 1418 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|0,0,2]=4 1419 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|0,0,2]=4 1420 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,1]=4 1421 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|0,0,2]=4 1422 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|0,0,2]=4 1423 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [1,1,0,0,0,0|1,0,1]=4 1424 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [1,1,0,0,0,0|2,0,0]=4 1425 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [1,1,0,0,0,0|2,0,0]=4 1426 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [1,1,0,0,0,0|2,0,0]=4 1427 B7R0.4 OCCOCC(F)F 34a_100000743014_100000211926 [1,1,0,0,0,0|1,1,0]=4 1428 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [1,1,0,0,0,0|1,0,0]=3 1429 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [1,1,0,0,0,0|1,0,0]=3 1430 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1431 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [1,1,0,0,0,0|2,0,0]=4 1432 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|2,0,0]=4 1433 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|2,0,0]=4 1434 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|2,0,0]=4 1436 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 1437 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 1439 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 1441 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 1442 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 1443 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 1444 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|2,0,0]=4 1446 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|2,0,0]=4 1448 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|1,1,0]=4 1449 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|1,0,0]=3 1450 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1451 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [1,1,0,0,0,0|2,0,0]=4 1452 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [1,1,0,0,0,0|2,0,0]=4 1453 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [1,1,0,0,0,0|1,0,0]=3 1454 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [1,1,0,0,0,0|1,0,0]=3 1455 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [1,1,0,0,0,0|1,0,0]=3 1456 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [1,1,0,0,0,0|1,0,0]=3 1457 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|2,0,0]=4 1458 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|1,0,0]=3 1459 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [1,1,0,0,0,0|1,0,0]=3 1460 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [1,1,0,0,0,0|1,0,0]=3 1461 B9R0.4 CC(C)CC(C)SCCO 62a_100000211926_100000731052 [0,2,0,0,0,0|2,0,0]=4 1462 B9R0.4 CC(C)CC(C)SCCO 62a_100000731052_100000211926 [0,2,0,0,0,0|2,0,0]=4 1463 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [0,2,0,0,0,0|2,0,0]=4 1464 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [0,2,0,0,0,0|2,0,0]=4 1465 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [0,2,0,0,0,0|2,0,0]=4 1466 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [0,2,0,0,0,0|2,0,0]=4 1467 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,2,0,0,0,0|2,0,0]=4 1469 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [0,2,0,0,0,0|2,0,0]=4 1470 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [0,2,0,0,0,0|2,0,0]=4 1471 B9R0.5 C#CCCSC(C)CCO 62a_100000688953_100009893172 [0,2,0,0,0,0|2,0,0]=4 1472 B9R0.5 C#CCCSC(C)CCO 62a_100009893172_100000688953 [0,2,0,0,0,0|2,0,0]=4 1473 B9R0.5 C=CCCSC(C)CCO 62a_100000754431_100009893172 [0,2,0,0,0,0|2,0,0]=4 1474 B9R0.5 C=CCCSC(C)CCO 62a_100009893172_100000754431 [0,2,0,0,0,0|2,0,0]=4 1475 B9R0.5 CC(CC#N)SCCCO 62a_100009813641_100011215043 [0,2,0,0,0,0|2,0,0]=4 1476 B9R0.5 CC(CC#N)SCCCO 62a_100011215043_100009813641 [0,2,0,0,0,0|2,0,0]=4 1477 B9R0.5 CC(CCO)OCCON 34a_100000700252_100009893172 [0,2,0,0,0,0|1,1,0]=4 1478 B9R0.5 CC(CCO)SCCC#N 62a_100009893172_100011215226 [0,2,0,0,0,0|2,0,0]=4 1479 B9R0.5 CC(CCO)SCCC#N 62a_100011215226_100009893172 [0,2,0,0,0,0|2,0,0]=4 1480 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [0,2,0,0,0,0|2,0,0]=4 1481 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [0,2,0,0,0,0|2,0,0]=4 1482 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [0,2,0,0,0,0|1,0,0]=3 1483 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [0,2,0,0,0,0|1,0,0]=3 1484 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|2,0,0]=4 1485 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|2,0,0]=4 1486 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,2,0,0,0,0|2,0,0]=4 1487 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,2,0,0,0,0|2,0,0]=4 1488 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,2,0,0,0,0|2,0,0]=4 1491 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,2,0,0,0,0|2,0,0]=4 1492 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,2,0,0,0,0|2,0,0]=4 1493 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,2,0,0,0,0|2,0,0]=4 1494 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,2,0,0,0,0|2,0,0]=4 1495 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,2,0,0,0,0|2,0,0]=4 1496 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|2,0,0]=4 1497 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,2,0,0,0,0|2,0,0]=4 1498 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,2,0,0,0,0|2,0,0]=4 1499 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [0,2,0,0,0,0|2,0,0]=4 1500 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 1502 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 1504 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.5 COCC(C)SCCCF 62a_100000765312_100011934791 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.5 COCC(C)SCCCF 62a_100011934791_100000765312 [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [0,2,0,0,0,0|1,0,0]=3 1509 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [0,2,0,0,0,0|1,0,0]=3 1510 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [0,2,0,0,0,0|1,1,0]=4 1511 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,2,0,0,0,0|2,0,0]=4 1512 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,2,0,0,0,0|2,0,0]=4 1513 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,2,0,0,0,0|2,0,0]=4 1514 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,2,0,0,0,0|2,0,0]=4 1515 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,2,0,0,0,0|2,0,0]=4 1516 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,2,0,0,0,0|1,0,0]=3 1517 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,2,0,0,0,0|1,0,0]=3 1518 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [0,2,0,0,0,0|2,0,0]=4 1522 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [0,2,0,0,0,0|2,0,0]=4 1523 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [0,2,0,0,0,0|2,0,0]=4 1524 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|2,0,0]=4 1525 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [0,2,0,0,0,0|2,0,0]=4 1526 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [0,2,0,0,0,0|2,0,0]=4 1527 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [0,2,0,0,0,0|2,0,0]=4 1528 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,2,0,0,0,0|1,1,0]=4 1529 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [0,2,0,0,0,0|1,0,0]=3 1530 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [0,2,0,0,0,0|1,0,0]=3 1531 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [0,2,0,0,0,0|2,0,0]=4 1532 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,2,0,0,0,0|1,1,0]=4 1533 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [0,2,0,0,0,0|1,1,0]=4 1534 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [0,2,0,0,0,0|1,1,0]=4 1535 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000001066_100000211926 [0,2,0,0,0,0|2,0,0]=4 1538 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000211926_100000001066 [0,2,0,0,0,0|2,0,0]=4 1539 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|2,0,0]=4 1540 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|2,0,0]=4 1541 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|1,1,0]=4 1542 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|2,0,0]=4 1543 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,2,0,0,0,0|2,0,0]=4 1544 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|1,0,1]=4 1545 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|1,0,1]=4 1546 B9R0.8 CC(CO)N(C)CCCO 2230a_100000213112_100012180447 [0,2,0,0,0,0|2,0,0]=4 1547 B9R0.8 CC(CO)N(C)CCCO 2230a_100000693034_100000230001 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.8 CC(CO)N(C)CCCO 269982a_100000693034_100011215043 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.8 C[C@H](CO)N(C)CCCO 269982a_100000213112_100016084084 [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|2,0,0]=4 1551 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,2,0,0,0,0|2,0,0]=4 1553 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,2,0,0,0,0|2,0,0]=4 1554 B9R0.18 CN(CCCO)CCCO 2230a_100000212923_200000210301 [0,2,0,0,0,0|2,0,0]=4 1555 B9R0.18 CN(CCCO)CCCO 2230a_100000213112_100000230001 [0,2,0,0,0,0|2,0,0]=4 1556 B9R0.18 CN(CCCO)CCCO 269982a_100000212923_200000210301 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.18 CN(CCCO)CCCO 269982a_100000213112_100011215043 [0,2,0,0,0,0|2,0,0]=4 1558 B9R0.18 CN(CCCO)CCCO 34a_100000212923_200000210301 [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|2,0,0]=4 1560 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|2,0,0]=4 1561 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.18 COCCN(C)CCCO 2230a_100000213112_100011201679 [0,2,0,0,0,0|2,0,0]=4 1564 B9R0.18 COCCN(C)CCCO 2230a_100000743101_100000230001 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.18 COCCN(C)CCCO 269982a_100000213112_100000233755 [0,2,0,0,0,0|2,0,0]=4 1566 B9R0.18 COCCN(C)CCCO 269982a_100000743101_100011215043 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.18 O=C(NCCO)NCCO 273464a_100000210304_100000210304 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.18 [13CH3]N(CCCO)CCCO 2230a_100000212923_200025704644 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.18 [13CH3]N(CCCO)CCCO 269982a_100000212923_200025704644 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.18 [13CH3]N(CCCO)CCCO 34a_100000212923_200025704644 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.34 CC(CCO)N[C@H](C)CO 2230a_100000737577_100009893172 [0,2,0,0,0,0|2,0,0]=4 1572 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100009893172_100016084084 [0,2,0,0,0,0|1,0,0]=3 1573 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100016084084_100009893172 [0,2,0,0,0,0|1,0,0]=3 1574 B9R0.34 CC(CO)N[C@H](C)CCO 2230a_100000706166_100012180447 [0,2,0,0,0,0|2,0,0]=4 1575 B9R0.34 CC(CO)N[C@H](C)CCO 34a_100000706166_100012180447 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.34 CC(CO)SC(C)CCO 62a_100012180447_100009893172 [0,2,0,0,0,0|1,0,0]=3 1577 B9R0.34 CCC(C)SC(C)CCO 62a_100000758301_100009893172 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.34 CCC(C)SC(C)CCO 62a_100009893172_100000758301 [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [0,2,0,0,0,0|2,0,0]=4 1581 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.34 C[C@@H](CO)CN(C)CCO 2230a_100000210263_100000059175 [0,2,0,0,0,0|2,0,0]=4 1588 B9R0.34 C[C@@H](CO)CN(C)CCO 269982a_100000210263_100000059175 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,2,0,0,0,0|2,0,0]=4 1590 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.35 CC(CCO)N(C)CCO 2230a_100000210263_100009893172 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.35 CC(CCO)N(C)CCO 2230a_100000731037_100000211926 [0,2,0,0,0,0|2,0,0]=4 1593 B9R0.35 CC(CCO)N(C)CCO 269982a_100000210263_100009893172 [0,2,0,0,0,0|2,0,0]=4 1594 B9R0.35 CC(CCO)N(C)CCO 269982a_100000731037_100000211926 [0,2,0,0,0,0|2,0,0]=4 1595 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,2,0,0,0,0|2,0,0]=4 1596 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.40 CCN(CCO)CCCO 2230a_100000210973_100000230001 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.40 CCN(CCO)CCCO 2230a_200000212863_100000210202 [0,2,0,0,0,0|2,0,0]=4 1600 B9R0.40 CCN(CCO)CCCO 269982a_100000210973_100011215043 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.40 CCN(CCO)CCCO 269982a_200000212863_100000204670 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.40 OCCCN(CF)CCO 269982a_200000212863_100015361967 [0,2,0,0,0,0|2,0,0]=4 1603 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,2,0,0,0,0|2,0,0]=4 1605 B9R0.48 CC(CCO)SCC(F)F 62a_100009893172_100011934356 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.48 CC(CCO)SCC(F)F 62a_100011934356_100009893172 [0,2,0,0,0,0|2,0,0]=4 1607 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,2,0,0,0,0|1,0,0]=3 1608 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,2,0,0,0,0|1,0,0]=3 1609 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [0,2,0,0,0,0|2,0,0]=4 1611 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [0,2,0,0,0,0|2,0,0]=4 1612 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|2,0,0]=4 1613 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,2,0,0,0,0|2,0,0]=4 1614 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,2,0,0,0,0|2,0,0]=4 1615 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,2,0,0,0,0|2,0,0]=4 1616 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,2,0,0,0,0|1,0,0]=3 1618 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,2,0,0,0,0|1,0,0]=3 1619 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,2,0,0,0,0|2,0,0]=4 1622 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,2,0,0,0,0|2,0,0]=4 1624 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,2,0,0,0,0|2,0,0]=4 1625 B9R0.2 C#CCCCSCC(C)O 62a_100011215417_100011218427 [0,2,0,0,0,0|2,0,0]=4 1626 B9R0.2 C#CCCCSCC(C)O 62a_100011218427_100011215417 [0,2,0,0,0,0|2,0,0]=4 1627 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100009817552_100011215417 [0,2,0,0,0,0|2,0,0]=4 1628 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100011215417_100009817552 [0,2,0,0,0,0|2,0,0]=4 1629 B9R0.2 C#CCCSCCC(C)O 62a_100000688953_100012276601 [0,2,0,0,0,0|2,0,0]=4 1630 B9R0.2 C#CCCSCCC(C)O 62a_100012276601_100000688953 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,2,0,0,0,0|1,0,1]=4 1640 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,2,0,0,0,0|1,0,1]=4 1641 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,2,0,0,0,0|1,0,1]=4 1642 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,2,0,0,0,0|1,0,1]=4 1643 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,2,0,0,0,0|2,0,0]=4 1647 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,2,0,0,0,0|2,0,0]=4 1648 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,2,0,0,0,0|2,0,0]=4 1649 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [0,2,0,0,0,0|2,0,0]=4 1650 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,2,0,0,0,0|2,0,0]=4 1652 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [0,2,0,0,0,0|2,0,0]=4 1653 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [0,2,0,0,0,0|2,0,0]=4 1656 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,2,0,0,0,0|2,0,0]=4 1657 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,2,0,0,0,0|2,0,0]=4 1658 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,2,0,0,0,0|2,0,0]=4 1659 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,2,0,0,0,0|2,0,0]=4 1660 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,2,0,0,0,0|1,0,0]=3 1661 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,2,0,0,0,0|1,0,0]=3 1662 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,2,0,0,0,0|1,1,0]=4 1664 B9R0.2 CC(O)CCSCCC#N 62a_100011215226_100012276601 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.2 CC(O)CCSCCC#N 62a_100012276601_100011215226 [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,2,0,0,0,0|2,0,0]=4 1667 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,2,0,0,0,0|2,0,0]=4 1668 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,2,0,0,0,0|1,0,0]=3 1669 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,2,0,0,0,0|1,0,0]=3 1670 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,2,0,0,0,0|2,0,0]=4 1674 B9R0.2 CC(O)CSCC#CCO 62a_100011218427_200000047223 [0,2,0,0,0,0|1,0,1]=4 1675 B9R0.2 CC(O)CSCC#CCO 62a_200000047223_100011218427 [0,2,0,0,0,0|1,0,1]=4 1676 B9R0.2 CC(O)CSCCCC#N 62a_100000687738_100011218427 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.2 CC(O)CSCCCC#N 62a_100011218427_100000687738 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,2,0,0,0,0|1,0,1]=4 1679 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,2,0,0,0,0|1,0,1]=4 1680 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,2,0,0,0,0|2,0,0]=4 1681 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,2,0,0,0,0|1,0,0]=3 1683 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,2,0,0,0,0|1,0,0]=3 1684 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,2,0,0,0,0|2,0,0]=4 1685 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,2,0,0,0,0|2,0,0]=4 1689 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,2,0,0,0,0|2,0,0]=4 1690 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,2,0,0,0,0|2,0,0]=4 1691 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,2,0,0,0,0|2,0,0]=4 1694 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,2,0,0,0,0|2,0,0]=4 1695 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,2,0,0,0,0|2,0,0]=4 1696 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,2,0,0,0,0|2,0,0]=4 1697 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,2,0,0,0,0|2,0,0]=4 1698 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,2,0,0,0,0|2,0,0]=4 1700 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,2,0,0,0,0|1,1,0]=4 1709 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,2,0,0,0,0|1,1,0]=4 1710 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,2,0,0,0,0|2,0,0]=4 1711 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,2,0,0,0,0|2,0,0]=4 1712 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,2,0,0,0,0|1,0,0]=3 1713 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,2,0,0,0,0|1,0,0]=3 1714 B9R0.2 COCCCSCC(F)F 62a_100000709357_100011934356 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.2 COCCCSCC(F)F 62a_100011934356_100000709357 [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,2,0,0,0,0|1,0,0]=3 1717 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,2,0,0,0,0|1,0,0]=3 1718 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,2,0,0,0,0|2,0,0]=4 1719 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,2,0,0,0,0|2,0,0]=4 1720 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,2,0,0,0,0|1,1,0]=4 1721 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,2,0,0,0,0|2,0,0]=4 1722 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,2,0,0,0,0|1,0,0]=3 1724 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,2,0,0,0,0|1,0,0]=3 1725 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,2,0,0,0,0|1,1,0]=4 1726 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,2,0,0,0,0|1,1,0]=4 1727 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,2,0,0,0,0|2,0,0]=4 1728 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,2,0,0,0,0|2,0,0]=4 1729 B9R0.2 C[C@@H](O)CSCC#CCO 62a_100009817552_200000047223 [0,2,0,0,0,0|1,0,1]=4 1730 B9R0.2 C[C@@H](O)CSCC#CCO 62a_200000047223_100009817552 [0,2,0,0,0,0|1,0,1]=4 1731 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100000687738_100009817552 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100009817552_100000687738 [0,2,0,0,0,0|2,0,0]=4 1733 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,2,0,0,0,0|1,0,1]=4 1734 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,2,0,0,0,0|1,0,1]=4 1735 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,2,0,0,0,0|1,0,0]=3 1738 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,2,0,0,0,0|1,0,0]=3 1739 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,2,0,0,0,0|1,0,1]=4 1740 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,2,0,0,0,0|1,0,1]=4 1741 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,2,0,0,0,0|1,0,1]=4 1742 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,2,0,0,0,0|1,0,1]=4 1743 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.45 C#CCNCCSCCO 2230a_100011219999_100000038162 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.45 C#CCOCCSCCO 62a_100000211926_100010402529 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.45 C#CCOCCSCCO 62a_100010402529_100000211926 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,2,0,0,0,0|2,0,0]=4 1762 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,2,0,0,0,0|2,0,0]=4 1770 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,2,0,0,0,0|2,0,0]=4 1771 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,2,0,0,0,0|1,1,0]=4 1772 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,2,0,0,0,0|2,0,0]=4 1774 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,2,0,0,0,0|1,0,0]=3 1777 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,2,0,0,0,0|1,0,0]=3 1778 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,2,0,0,0,0|2,0,0]=4 1779 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,2,0,0,0,0|2,0,0]=4 1781 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,2,0,0,0,0|2,0,0]=4 1782 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,2,0,0,0,0|2,0,0]=4 1783 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,2,0,0,0,0|1,1,0]=4 1791 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,2,0,0,0,0|1,1,0]=4 1792 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,2,0,0,0,0|2,0,0]=4 1799 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,2,0,0,0,0|2,0,0]=4 1800 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,2,0,0,0,0|2,0,0]=4 1801 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,2,0,0,0,0|1,1,0]=4 1806 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,2,0,0,0,0|1,1,0]=4 1807 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,2,0,0,0,0|2,0,0]=4 1815 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,2,0,0,0,0|1,1,0]=4 1816 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,2,0,0,0,0|1,1,0]=4 1817 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,2,0,0,0,0|1,1,0]=4 1818 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,2,0,0,0,0|1,1,0]=4 1819 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,2,0,0,0,0|1,1,0]=4 1820 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,2,0,0,0,0|1,1,0]=4 1821 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,2,0,0,0,0|1,1,0]=4 1827 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,2,0,0,0,0|1,1,0]=4 1828 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,2,0,0,0,0|2,0,0]=4 1829 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,2,0,0,0,0|1,0,0]=3 1831 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,2,0,0,0,0|1,0,0]=3 1832 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,2,0,0,0,0|2,0,0]=4 1833 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,2,0,0,0,0|1,1,0]=4 1835 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,2,0,0,0,0|1,1,0]=4 1836 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,2,0,0,0,0|1,0,0]=3 1839 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,2,0,0,0,0|1,0,0]=3 1840 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,2,0,0,0,0|1,1,0]=4 1847 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,2,0,0,0,0|1,1,0]=4 1848 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,2,0,0,0,0|2,0,0]=4 1851 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,2,0,0,0,0|2,0,0]=4 1854 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,2,0,0,0,0|2,0,0]=4 1855 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,2,0,0,0,0|2,0,0]=4 1856 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,2,0,0,0,0|2,0,0]=4 1857 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,2,0,0,0,0|2,0,0]=4 1858 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,2,0,0,0,0|1,1,0]=4 1859 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,2,0,0,0,0|1,0,0]=3 1862 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,2,0,0,0,0|1,0,0]=3 1863 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,2,0,0,0,0|2,0,0]=4 1866 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,2,0,0,0,0|1,1,0]=4 1867 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,2,0,0,0,0|1,1,0]=4 1868 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,2,0,0,0,0|1,1,0]=4 1869 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,2,0,0,0,0|1,1,0]=4 1870 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,2,0,0,0,0|1,1,0]=4 1871 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,2,0,0,0,0|1,0,0]=3 1876 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,2,0,0,0,0|1,0,0]=3 1877 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,2,0,0,0,0|1,0,0]=3 1878 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,2,0,0,0,0|1,0,0]=3 1879 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,2,0,0,0,0|1,1,0]=4 1880 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,2,0,0,0,0|1,1,0]=4 1881 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,2,0,0,0,0|1,1,0]=4 1885 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,2,0,0,0,0|1,1,0]=4 1886 B9R0.45 COCCOCSCCF 62a_100000231047_100011217306 [0,2,0,0,0,0|1,1,0]=4 1887 B9R0.45 COCCOCSCCF 62a_100011217306_100000231047 [0,2,0,0,0,0|1,1,0]=4 1888 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,2,0,0,0,0|0,1,0]=3 1889 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,2,0,0,0,0|0,1,0]=3 1890 B9R0.45 COCCSCC#CCO 62a_100000233755_200000047223 [0,2,0,0,0,0|1,0,1]=4 1891 B9R0.45 COCCSCC#CCO 62a_200000047223_100000233755 [0,2,0,0,0,0|1,0,1]=4 1892 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,2,0,0,0,0|1,0,1]=4 1895 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,2,0,0,0,0|1,0,1]=4 1896 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,2,0,0,0,0|1,0,0]=3 1899 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,2,0,0,0,0|1,0,0]=3 1900 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,2,0,0,0,0|1,1,0]=4 1902 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,2,0,0,0,0|1,0,0]=3 1903 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,2,0,0,0,0|1,1,0]=4 1906 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,2,0,0,0,0|1,1,0]=4 1907 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,2,0,0,0,0|1,1,0]=4 1908 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,2,0,0,0,0|1,1,0]=4 1909 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,2,0,0,0,0|1,1,0]=4 1910 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.45 N#CCNCCSCCO 2230a_100011219999_100011215382 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.45 N#CCOCCSCCO 62a_100000211926_200000047693 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.45 N#CCOCCSCCO 62a_200000047693_100000211926 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.45 N#CSCCSCCCO 62a_100000034367_100011215043 [0,2,0,0,0,0|1,1,0]=4 1920 B9R0.45 N#CSCCSCCCO 62a_100011215043_100000034367 [0,2,0,0,0,0|1,1,0]=4 1921 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,2,0,0,0,0|1,1,0]=4 1922 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,2,0,0,0,0|1,0,1]=4 1923 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,2,0,0,0,0|1,0,1]=4 1924 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,2,0,0,0,0|1,0,1]=4 1925 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,2,0,0,0,0|1,0,1]=4 1926 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,2,0,0,0,0|1,0,1]=4 1927 B9R0.45 OCC#CCSCCCF 62a_100011934791_200000047223 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.45 OCC#CCSCCCF 62a_200000047223_100011934791 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.45 OCC#CCSCCCO 62a_100011215043_200000047223 [0,2,0,0,0,0|1,0,0]=3 1930 B9R0.45 OCC#CCSCCCO 62a_200000047223_100011215043 [0,2,0,0,0,0|1,0,0]=3 1931 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,2,0,0,0,0|1,0,0]=3 1938 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,2,0,0,0,0|1,0,0]=3 1939 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,2,0,0,0,0|2,0,0]=4 1943 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,2,0,0,0,0|1,0,0]=3 1944 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,2,0,0,0,0|1,0,0]=3 1945 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,2,0,0,0,0|2,0,0]=4 1947 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,2,0,0,0,0|1,1,0]=4 1948 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,2,0,0,0,0|1,1,0]=4 1949 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,2,0,0,0,0|1,1,0]=4 1950 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,2,0,0,0,0|1,1,0]=4 1951 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,2,0,0,0,0|1,0,0]=3 1952 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,2,0,0,0,0|1,1,0]=4 1953 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,2,0,0,0,0|1,1,0]=4 1954 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,2,0,0,0,0|0,1,0]=3 1955 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,2,0,0,0,0|0,1,0]=3 1956 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.46 C#CCCCSC(C)CO 62a_100012180447_100011215417 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.46 C#CCCCS[C@H](C)CO 62a_100011215417_100016084084 [0,2,0,0,0,0|2,0,0]=4 1961 B9R0.46 C#CCCCS[C@H](C)CO 62a_100016084084_100011215417 [0,2,0,0,0,0|2,0,0]=4 1962 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000059175_100000688953 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000688953_100000059175 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,2,0,0,0,0|2,0,0]=4 1971 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,2,0,0,0,0|1,0,0]=3 1973 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,2,0,0,0,0|1,0,0]=3 1974 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,2,0,0,0,0|2,0,0]=4 1975 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,2,0,0,0,0|2,0,0]=4 1976 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,2,0,0,0,0|2,0,0]=4 1977 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,2,0,0,0,0|2,0,0]=4 1980 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,2,0,0,0,0|2,0,0]=4 1982 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,2,0,0,0,0|2,0,0]=4 1983 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.46 CC(CO)SCC#CCO 62a_100012180447_200000047223 [0,2,0,0,0,0|1,0,1]=4 1989 B9R0.46 CC(CO)SCCCC#N 62a_100012180447_100000687738 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,2,0,0,0,0|1,0,1]=4 1991 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,2,0,0,0,0|1,0,0]=3 1993 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,2,0,0,0,0|1,0,0]=3 2007 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,2,0,0,0,0|1,0,0]=3 2008 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,2,0,0,0,0|1,0,1]=4 2040 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,2,0,0,0,0|1,0,1]=4 2041 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|1,0,1]=4 2042 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|1,0,1]=4 2043 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,2,0,0,0,0|1,1,0]=4 2044 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,2,0,0,0,0|1,1,0]=4 2045 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [0,2,0,0,0,0|2,0,0]=4 2046 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [0,2,0,0,0,0|2,0,0]=4 2047 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,2,0,0,0,0|1,1,0]=4 2048 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,2,0,0,0,0|1,0,0]=3 2049 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,2,0,0,0,0|1,0,0]=3 2050 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,2,0,0,0,0|1,0,0]=3 2051 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,2,0,0,0,0|2,0,0]=4 2052 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,2,0,0,0,0|2,0,0]=4 2053 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,2,0,0,0,0|1,1,0]=4 2058 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,2,0,0,0,0|1,1,0]=4 2059 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,2,0,0,0,0|1,1,0]=4 2060 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,2,0,0,0,0|1,0,0]=3 2061 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,2,0,0,0,0|1,0,0]=3 2062 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,2,0,0,0,0|1,0,0]=3 2063 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,2,0,0,0,0|1,0,0]=3 2064 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,2,0,0,0,0|2,0,0]=4 2065 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,2,0,0,0,0|2,0,0]=4 2066 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,2,0,0,0,0|1,0,0]=3 2067 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,2,0,0,0,0|1,0,0]=3 2068 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,2,0,0,0,0|2,0,0]=4 2069 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,2,0,0,0,0|1,1,0]=4 2070 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,2,0,0,0,0|1,1,0]=4 2071 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,2,0,0,0,0|1,1,0]=4 2072 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,2,0,0,0,0|1,1,0]=4 2073 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,2,0,0,0,0|1,1,0]=4 2074 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,2,0,0,0,0|1,1,0]=4 2075 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,2,0,0,0,0|1,1,0]=4 2076 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100000059175_100011215226 [0,2,0,0,0,0|2,0,0]=4 2077 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100011215226_100000059175 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,2,0,0,0,0|2,0,0]=4 2079 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,2,0,0,0,0|2,0,0]=4 2080 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,2,0,0,0,0|1,0,0]=3 2081 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,2,0,0,0,0|1,0,0]=3 2082 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.46 C[C@H](CO)SCC#CCO 62a_100016084084_200000047223 [0,2,0,0,0,0|1,0,1]=4 2084 B9R0.46 C[C@H](CO)SCC#CCO 62a_200000047223_100016084084 [0,2,0,0,0,0|1,0,1]=4 2085 B9R0.46 C[C@H](CO)SCCCC#N 62a_100000687738_100016084084 [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.46 C[C@H](CO)SCCCC#N 62a_100016084084_100000687738 [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,2,0,0,0,0|1,0,1]=4 2088 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,2,0,0,0,0|1,0,1]=4 2089 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,2,0,0,0,0|1,0,0]=3 2092 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,2,0,0,0,0|1,0,0]=3 2093 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,2,0,0,0,0|1,1,0]=4 2098 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,2,0,0,0,0|1,1,0]=4 2099 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|1,1,0]=4 2101 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,2,0,0,0,0|2,0,0]=4 2104 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,2,0,0,0,0|1,0,0]=3 2106 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,2,0,0,0,0|1,0,0]=3 2107 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,2,0,0,0,0|1,0,0]=3 2108 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,2,0,0,0,0|1,0,0]=3 2109 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,2,0,0,0,0|1,0,0]=3 2110 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,2,0,0,0,0|1,0,0]=3 2111 B9R0.46 OCCNN=CC(O)CO 4a_100000210001_100000033539 [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,2,0,0,0,0|2,0,0]=4 2113 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,2,0,0,0,0|2,0,0]=4 2115 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,2,0,0,0,0|2,0,0]=4 2117 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,2,0,0,0,0|2,0,0]=4 2118 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,2,0,0,0,0|2,0,0]=4 2119 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,2,0,0,0,0|2,0,0]=4 2120 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,2,0,0,0,0|2,0,0]=4 2121 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,2,0,0,0,0|2,0,0]=4 2122 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,2,0,0,0,0|2,0,0]=4 2123 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,2,0,0,0,0|2,0,0]=4 2124 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,2,0,0,0,0|2,0,0]=4 2125 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,2,0,0,0,0|2,0,0]=4 2126 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,2,0,0,0,0|2,0,0]=4 2127 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,2,0,0,0,0|2,0,0]=4 2128 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,2,0,0,0,0|1,0,0]=3 2129 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,2,0,0,0,0|1,0,0]=3 2130 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,2,0,0,0,0|1,0,0]=3 2131 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,2,0,0,0,0|2,0,0]=4 2132 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,2,0,0,0,0|2,0,0]=4 2133 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,2,0,0,0,0|2,0,0]=4 2134 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,2,0,0,0,0|2,0,0]=4 2135 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|2,0,0]=4 2136 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,2,0,0,0,0|2,0,0]=4 2137 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,2,0,0,0,0|2,0,0]=4 2138 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,2,0,0,0,0|2,0,0]=4 2139 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,2,0,0,0,0|1,0,0]=3 2141 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,2,0,0,0,0|1,0,0]=3 2142 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,2,0,0,0,0|1,0,0]=3 2143 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,2,0,0,0,0|1,0,0]=3 2144 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,2,0,0,0,0|1,0,0]=3 2147 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,2,0,0,0,0|1,0,0]=3 2148 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,2,0,0,0,0|2,0,0]=4 2149 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,2,0,0,0,0|2,0,0]=4 2150 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,2,0,0,0,0|2,0,0]=4 2151 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,2,0,0,0,0|2,0,0]=4 2152 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,2,0,0,0,0|2,0,0]=4 2153 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,2,0,0,0,0|2,0,0]=4 2154 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,2,0,0,0,0|2,0,0]=4 2155 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,2,0,0,0,0|2,0,0]=4 2156 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,2,0,0,0,0|2,0,0]=4 2157 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,2,0,0,0,0|2,0,0]=4 2158 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,2,0,0,0,0|2,0,0]=4 2159 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,2,0,0,0,0|2,0,0]=4 2160 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100000059175_100011934356 [0,2,0,0,0,0|2,0,0]=4 2163 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100011934356_100000059175 [0,2,0,0,0,0|2,0,0]=4 2164 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,2,0,0,0,0|1,0,0]=3 2165 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,2,0,0,0,0|1,0,0]=3 2166 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,2,0,0,0,0|2,0,0]=4 2168 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,2,0,0,0,0|1,0,0]=3 2169 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,2,0,0,0,0|1,0,0]=3 2170 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,2,0,0,0,0|2,0,0]=4 2171 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,2,0,0,0,0|2,0,0]=4 2172 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,2,0,0,0,0|1,0,0]=3 2173 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.1 OCC(O)CSCC(F)F 62a_100011219619_100011934356 [0,2,0,0,0,0|2,0,0]=4 2175 B9R0.1 OCC(O)CSCC(F)F 62a_100011934356_100011219619 [0,2,0,0,0,0|2,0,0]=4 2176 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100009815848_100011934356 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100011934356_100009815848 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.20 CC(C)(CO)CNCCO 2230a_100020635058_100000211926 [0,2,0,0,0,0|2,0,0]=4 2179 B9R0.20 CC(C)(CO)CNCCO 34a_100016990907_100009813988 [0,2,0,0,0,0|2,0,0]=4 2180 B9R0.20 CC(C)(CO)CSCCF 62a_100009813988_100011217306 [0,2,0,0,0,0|2,0,0]=4 2181 B9R0.20 CC(C)(CO)CSCCF 62a_100011217306_100009813988 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.20 CC(C)(CO)CSCCO 62a_100000211926_100009813988 [0,2,0,0,0,0|1,0,0]=3 2183 B9R0.20 CC(C)(CO)CSCCO 62a_100009813988_100000211926 [0,2,0,0,0,0|1,0,0]=3 2184 B9R0.20 CC(C)(CO)NCCCO 2230a_100000210608_100000230001 [0,2,0,0,0,0|2,0,0]=4 2185 B9R0.20 CCC(C)(C)SCCCO 62a_100000032637_100011215043 [0,2,0,0,0,0|2,0,0]=4 2186 B9R0.20 CCC(C)(C)SCCCO 62a_100011215043_100000032637 [0,2,0,0,0,0|2,0,0]=4 2187 B9R0.20 CCCCSC(F)(F)CO 62a_100000210211_100011217949 [0,2,0,0,0,0|2,0,0]=4 2188 B9R0.20 CCCCSC(F)(F)CO 62a_100011217949_100000210210 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [0,2,0,0,0,0|2,0,0]=4 2190 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [0,2,0,0,0,0|2,0,0]=4 2191 B9R0.20 OCC(F)(F)SCCCF 62a_100011217949_100011934791 [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.20 OCC(F)(F)SCCCF 62a_100011934791_100011217949 [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.20 OCCCSC(F)(F)CO 62a_100011215043_100011217949 [0,2,0,0,0,0|1,0,0]=3 2194 B9R0.20 OCCCSC(F)(F)CO 62a_100011217949_100011215043 [0,2,0,0,0,0|1,0,0]=3 2195 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,2,0,0,0,0|2,0,0]=4 2196 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [0,2,0,0,0,0|2,0,0]=4 2197 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,2,0,0,0,0|2,0,0]=4 2198 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,2,0,0,0,0|1,0,0]=3 2199 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,2,0,0,0,0|1,0,0]=3 2200 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,2,0,0,0,0|2,0,0]=4 2201 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,2,0,0,0,0|1,0,0]=3 2202 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,2,0,0,0,0|2,0,0]=4 2204 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,2,0,0,0,0|2,0,0]=4 2205 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,2,0,0,0,0|2,0,0]=4 2206 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,2,0,0,0,0|2,0,0]=4 2209 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,2,0,0,0,0|2,0,0]=4 2215 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,2,0,0,0,0|1,0,0]=3 2219 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,2,0,0,0,0|1,0,0]=3 2220 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,2,0,0,0,0|1,0,0]=3 2223 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,2,0,0,0,0|1,0,0]=3 2224 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,2,0,0,0,0|1,0,0]=3 2227 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,2,0,0,0,0|1,0,0]=3 2228 B9R0.50 C=C[C@@H](CO)NCCCO 2230a_100016989147_100000230001 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.50 C=C[C@@H](CO)NCCCO 34a_100016989147_100000230001 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.50 CCC(CC)CSCCO 62a_100000211926_100011215472 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.50 CCC(CC)CSCCO 62a_100011215472_100000211926 [0,2,0,0,0,0|2,0,0]=4 2232 B9R0.50 CCC(CC)SCCCO 62a_100000210505_100011215043 [0,2,0,0,0,0|2,0,0]=4 2233 B9R0.50 CCC(CC)SCCCO 62a_100011215043_100000210505 [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.38 CC(C)(C)CCSCCO 62a_100000211926_100000755188 [0,2,0,0,0,0|2,0,0]=4 2237 B9R0.38 CC(C)(C)CCSCCO 62a_100000755188_100000211926 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.38 CC(C)(C)CSCCCO 62a_100011215043_100011219605 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.38 CC(C)(C)CSCCCO 62a_100011219605_100011215043 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.38 CC(C)(F)CSCCCO 62a_100011215043_100011997219 [0,2,0,0,0,0|2,0,0]=4 2241 B9R0.38 CC(C)(F)CSCCCO 62a_100011997219_100011215043 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.38 CC(C)(O)CCNCCO 2230a_100016997473_100000702414 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.38 CC(C)(O)CCNCCO 34a_100016990907_100000702414 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.38 CC(C)(O)CCSCCF 62a_100000702414_100011217306 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.38 CC(C)(O)CCSCCF 62a_100011217306_100000702414 [0,2,0,0,0,0|2,0,0]=4 2246 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [0,2,0,0,0,0|1,0,0]=3 2247 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [0,2,0,0,0,0|1,0,0]=3 2248 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [0,2,0,0,0,0|2,0,0]=4 2249 B9R0.38 CC(C)(O)CSCCCF 62a_100000764493_100011934791 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.38 CC(C)(O)CSCCCF 62a_100011934791_100000764493 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [0,2,0,0,0,0|1,0,0]=3 2252 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [0,2,0,0,0,0|1,0,0]=3 2253 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.38 OCCCSCC(F)(F)F 62a_100000763148_100011215043 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.38 OCCCSCC(F)(F)F 62a_100011215043_100000763148 [0,2,0,0,0,0|2,0,0]=4 2259 B9R0.38 OCCSCCC(F)(F)F 62a_100000211926_100011219754 [0,2,0,0,0,0|2,0,0]=4 2260 B9R0.38 OCCSCCC(F)(F)F 62a_100011219754_100000211926 [0,2,0,0,0,0|2,0,0]=4 2261 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,2,0,0,0,0|2,0,0]=4 2269 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,2,0,0,0,0|1,0,0]=3 2272 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,2,0,0,0,0|1,0,0]=3 2273 B9R0.55 CC(O)CCSCC(F)F 62a_100011934356_100012276601 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.55 CC(O)CCSCC(F)F 62a_100012276601_100011934356 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,2,0,0,0,0|1,0,0]=3 2276 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,2,0,0,0,0|1,0,0]=3 2277 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,1,0,0|2,0,0]=4 2278 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [1,0,0,1,0,0|2,0,0]=4 2279 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [1,0,0,1,0,0|2,0,0]=4 2280 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [1,0,0,1,0,0|2,0,0]=4 2281 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|1,1,0]=4 2282 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|1,1,0]=4 2283 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|2,0,0]=4 2284 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|2,0,0]=4 2285 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [1,0,0,1,0,0|1,0,0]=3 2286 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [1,0,0,1,0,0|1,0,0]=3 2287 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|1,1,0]=4 2288 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|1,1,0]=4 2289 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [1,0,0,1,0,0|1,0,0]=3 2290 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [1,0,0,1,0,0|1,0,0]=3 2291 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [1,0,0,1,0,0|2,0,0]=4 2292 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [1,0,0,1,0,0|2,0,0]=4 2293 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [1,0,0,1,0,0|2,0,0]=4 2294 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [1,0,0,1,0,0|2,0,0]=4 2295 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [1,0,0,1,0,0|2,0,0]=4 2296 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [1,0,0,1,0,0|2,0,0]=4 2297 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [1,0,0,1,0,0|2,0,0]=4 2298 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [1,0,0,1,0,0|1,0,0]=3 2299 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 2300 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 2301 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 2302 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 2303 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 2304 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 2305 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [0,1,0,1,0,0|2,0,0]=4 2306 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [0,1,0,1,0,0|2,0,0]=4 2307 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,1,0,0|2,0,0]=4 2308 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,1,0,0|2,0,0]=4 2309 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,1,0,0|2,0,0]=4 2310 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,1,0,1,0,0|2,0,0]=4 2311 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,1,0,1,0,0|1,1,0]=4 2312 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [0,1,0,1,0,0|2,0,0]=4 2313 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [0,1,0,1,0,0|2,0,0]=4 2314 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [0,1,0,1,0,0|2,0,0]=4 2315 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,1,0,0|2,0,0]=4 2316 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,1,0,0|2,0,0]=4 2317 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,1,0,1,0,0|2,0,0]=4 2318 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,1,0,1,0,0|1,1,0]=4 2319 B9R1.9 OCCCN1CC(C1)O 269982a_100000749847_100011215043 [0,1,0,1,0,0|2,0,0]=4 2320 B9R1.9 OCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000211926 [0,1,0,1,0,0|2,0,0]=4 2321 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,1,0,1,0,0|2,0,0]=4 2322 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,1,0,1,0,0|1,1,0]=4 2323 B9R1.12 FCCSC1CCOC1 62a_100011217306_100000690089 [0,1,0,1,0,0|2,0,0]=4 2324 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [0,1,0,1,0,0|2,0,0]=4 2325 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [0,1,0,1,0,0|2,0,0]=4 2326 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [0,1,0,1,0,0|2,0,0]=4 2327 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [0,1,0,1,0,0|2,0,0]=4 2328 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [0,1,0,1,0,0|2,0,0]=4 2329 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [0,1,0,1,0,0|2,0,0]=4 2330 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,1,0,1,0,0|1,1,0]=4 2331 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,1,0,1,0,0|1,1,0]=4 2332 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,1,0,1,0,0|2,0,0]=4 2333 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,1,0,1,0,0|2,0,0]=4 2334 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,1,0,1,0,0|1,0,0]=3 2335 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|2,0,0]=4 2336 B9R1.58 OCCN1CC(C1)CO 269982a_100016987283_100000211926 [0,1,0,1,0,0|2,0,0]=4 2337 B9R1.58 OCCN1CC(C1)CO 34a_100016987283_100000211926 [0,1,0,1,0,0|2,0,0]=4 2338 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,1,0,1,0,0|2,0,0]=4 2339 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,1,0,1,0,0|2,0,0]=4 2340 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,1,0,1,0,0|2,0,0]=4 2341 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,1,0,1,0,0|2,0,0]=4 2342 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|2,0,0]=4 2343 B9R1.75 CC(CCO)SC1CC1 62a_100009893172_100000211595 [0,1,0,1,0,0|2,0,0]=4 2344 B9R1.75 CN(CCO)CC1CO1 2230a_100000210263_100011216344 [0,1,0,1,0,0|2,0,0]=4 2345 B9R1.75 CN(CCO)CC1CO1 269982a_100000210263_102125554688 [0,1,0,1,0,0|2,0,0]=4 2346 B9R1.75 CN(CCO)C[C@@H]1CO1 269982a_100000210263_100000745022 [0,1,0,1,0,0|2,0,0]=4 2347 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|2,0,0]=4 2348 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|2,0,0]=4 2349 B9R1.100 CC(NCCO)C1CO1 270004a_100000210304_100000031964 [0,1,0,1,0,0|2,0,0]=4 2350 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|2,0,0]=4 2351 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 2352 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 2353 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [0,1,0,1,0,0|2,0,0]=4 2354 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,1,0,1,0,0|2,0,0]=4 2355 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,1,0,1,0,0|2,0,0]=4 2356 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,1,0,1,0,0|2,0,0]=4 2357 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,1,0,1,0,0|2,0,0]=4 2358 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [0,1,0,1,0,0|2,0,0]=4 2359 B9R1.17 FCCCSC1COC1 62a_100011934791_100009818527 [0,1,0,1,0,0|2,0,0]=4 2360 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [0,1,0,1,0,0|2,0,0]=4 2361 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [0,1,0,1,0,0|2,0,0]=4 2362 B9R1.17 FCCSCC1COC1 62a_100010264016_100011217306 [0,1,0,1,0,0|2,0,0]=4 2363 B9R1.17 FCCSCC1COC1 62a_100011217306_100010264016 [0,1,0,1,0,0|2,0,0]=4 2364 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [0,1,0,1,0,0|2,0,0]=4 2365 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [0,1,0,1,0,0|2,0,0]=4 2366 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [0,1,0,1,0,0|1,0,0]=3 2367 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [0,1,0,1,0,0|2,0,0]=4 2368 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [0,1,0,1,0,0|2,0,0]=4 2369 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [0,1,0,1,0,0|2,0,0]=4 2370 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [0,1,0,1,0,0|2,0,0]=4 2371 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [0,1,0,1,0,0|2,0,0]=4 2372 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [0,1,0,1,0,0|2,0,0]=4 2373 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [0,1,0,1,0,0|2,0,0]=4 2374 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [0,1,0,1,0,0|2,0,0]=4 2375 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,1,0,1,0,0|1,1,0]=4 2376 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [0,1,0,1,0,0|1,1,0]=4 2377 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [0,1,0,1,0,0|2,0,0]=4 2378 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [0,1,0,1,0,0|2,0,0]=4 2379 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,1,0,1,0,0|1,0,0]=3 2380 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,1,0,1,0,0|1,0,0]=3 2381 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [0,1,0,1,0,0|1,0,0]=3 2382 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [0,1,0,1,0,0|1,0,0]=3 2383 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|1,0,1]=4 2384 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|1,0,1]=4 2385 B9R1.83 C#CCCSCC1CO1 62a_100000688953_102125554688 [0,1,0,1,0,0|2,0,0]=4 2386 B9R1.83 C#CCCSCC1CO1 62a_102125554688_100000688953 [0,1,0,1,0,0|2,0,0]=4 2387 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000688953_100000745022 [0,1,0,1,0,0|2,0,0]=4 2388 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000745022_100000688953 [0,1,0,1,0,0|2,0,0]=4 2389 B9R1.83 C=CCCSCC1CO1 62a_100000754431_102125554688 [0,1,0,1,0,0|2,0,0]=4 2390 B9R1.83 C=CCCSCC1CO1 62a_102125554688_100000754431 [0,1,0,1,0,0|2,0,0]=4 2391 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000745022_100000754431 [0,1,0,1,0,0|2,0,0]=4 2392 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000754431_100000745022 [0,1,0,1,0,0|2,0,0]=4 2393 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,1,0,1,0,0|2,0,0]=4 2394 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,1,0,1,0,0|2,0,0]=4 2395 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,1,0,1,0,0|2,0,0]=4 2396 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,1,0,1,0,0|2,0,0]=4 2397 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,1,0,1,0,0|2,0,0]=4 2398 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,1,0,1,0,0|2,0,0]=4 2399 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [0,1,0,1,0,0|2,0,0]=4 2400 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [0,1,0,1,0,0|2,0,0]=4 2401 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [0,1,0,1,0,0|2,0,0]=4 2402 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [0,1,0,1,0,0|2,0,0]=4 2403 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [0,1,0,1,0,0|2,0,0]=4 2404 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [0,1,0,1,0,0|2,0,0]=4 2405 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [0,1,0,1,0,0|1,1,0]=4 2406 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [0,1,0,1,0,0|1,1,0]=4 2407 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [0,1,0,1,0,0|2,0,0]=4 2408 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [0,1,0,1,0,0|2,0,0]=4 2409 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [0,1,0,1,0,0|1,0,0]=3 2410 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [0,1,0,1,0,0|1,0,0]=3 2411 B9R1.83 COCCSCC1CS1 62a_100000031435_100000233755 [0,1,0,1,0,0|1,1,0]=4 2412 B9R1.83 COCCSCC1CS1 62a_100000233755_100000031435 [0,1,0,1,0,0|1,1,0]=4 2413 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [0,1,0,1,0,0|1,0,0]=3 2414 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [0,1,0,1,0,0|1,0,0]=3 2415 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [0,1,0,1,0,0|1,1,0]=4 2416 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [0,1,0,1,0,0|1,1,0]=4 2417 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [0,1,0,1,0,0|1,1,0]=4 2418 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [0,1,0,1,0,0|1,1,0]=4 2419 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [0,1,0,1,0,0|2,0,0]=4 2420 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [0,1,0,1,0,0|2,0,0]=4 2421 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [0,1,0,1,0,0|2,0,0]=4 2422 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [0,1,0,1,0,0|2,0,0]=4 2423 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [0,1,0,1,0,0|2,0,0]=4 2424 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [0,1,0,1,0,0|2,0,0]=4 2425 B9R1.83 N#CCCSCC1CO1 62a_100011215226_102125554688 [0,1,0,1,0,0|2,0,0]=4 2426 B9R1.83 N#CCCSCC1CO1 62a_102125554688_100011215226 [0,1,0,1,0,0|2,0,0]=4 2427 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100000745022_100011215226 [0,1,0,1,0,0|2,0,0]=4 2428 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100011215226_100000745022 [0,1,0,1,0,0|2,0,0]=4 2429 B9R1.83 NOCCOCC1CO1 34a_100000700252_102125554688 [0,1,0,1,0,0|1,1,0]=4 2430 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [0,1,0,1,0,0|2,0,0]=4 2431 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [0,1,0,1,0,0|1,1,0]=4 2432 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [0,1,0,1,0,0|2,0,0]=4 2433 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [0,1,0,1,0,0|2,0,0]=4 2434 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [0,1,0,1,0,0|1,0,0]=3 2435 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [0,1,0,1,0,0|1,0,0]=3 2436 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [0,1,0,1,0,0|1,1,0]=4 2437 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [0,1,0,1,0,0|1,1,0]=4 2438 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [0,1,0,1,0,0|1,0,0]=3 2439 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [0,1,0,1,0,0|1,0,0]=3 2440 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [0,1,0,1,0,0|2,0,0]=4 2441 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [0,1,0,1,0,0|2,0,0]=4 2442 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [0,1,0,1,0,0|1,1,0]=4 2443 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [0,1,0,1,0,0|2,0,0]=4 2444 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [0,1,0,1,0,0|2,0,0]=4 2445 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [0,1,0,1,0,0|1,0,0]=3 2446 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [0,1,0,1,0,0|1,0,0]=3 2447 B9R1.79 CC(CO)SC1CCC1 62a_100012180447_100000749161 [0,1,0,1,0,0|2,0,0]=4 2448 B9R1.79 C[C@H](CO)SC1CCC1 62a_100016084084_100000749161 [0,1,0,1,0,0|2,0,0]=4 2449 B9R1.80 CC(CO)OC[C@@H]1CO1 34a_100000757423_100012180447 [0,1,0,1,0,0|1,1,0]=4 2450 B9R1.80 CC(CO)SCC1CC1 62a_100012180447_100000742324 [0,1,0,1,0,0|2,0,0]=4 2451 B9R1.80 CC(CO)SCC1CO1 62a_100012180447_102125554688 [0,1,0,1,0,0|1,0,0]=3 2452 B9R1.80 CC(CO)SCC1CS1 62a_100012180447_100000031435 [0,1,0,1,0,0|1,1,0]=4 2453 B9R1.80 CC(CO)SC[C@@H]1CO1 62a_100012180447_100000745022 [0,1,0,1,0,0|1,0,0]=3 2454 B9R1.80 CCC(C)SCC1CO1 62a_100000758301_102125554688 [0,1,0,1,0,0|2,0,0]=4 2455 B9R1.80 CCC(C)SCC1CO1 62a_102125554688_100000758301 [0,1,0,1,0,0|2,0,0]=4 2456 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000745022_100000758301 [0,1,0,1,0,0|2,0,0]=4 2457 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000758301_100000745022 [0,1,0,1,0,0|2,0,0]=4 2458 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [0,1,0,1,0,0|2,0,0]=4 2459 B9R1.80 C[C@H](CO)NCC1CO1 2230a_100000737577_100011216344 [0,1,0,1,0,0|2,0,0]=4 2460 B9R1.80 C[C@H](CO)SCC1CC1 62a_100000756562_100016084084 [0,1,0,1,0,0|2,0,0]=4 2461 B9R1.80 C[C@H](CO)SCC1CC1 62a_100016084084_100000742324 [0,1,0,1,0,0|2,0,0]=4 2462 B9R1.80 C[C@H](CO)SCC1CO1 62a_100016084084_102125554688 [0,1,0,1,0,0|1,0,0]=3 2463 B9R1.80 C[C@H](CO)SCC1CO1 62a_102125554688_100016084084 [0,1,0,1,0,0|1,0,0]=3 2464 B9R1.80 C[C@H](CO)SCC1CS1 62a_100000031435_100016084084 [0,1,0,1,0,0|1,1,0]=4 2465 B9R1.80 C[C@H](CO)SCC1CS1 62a_100016084084_100000031435 [0,1,0,1,0,0|1,1,0]=4 2466 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100000745022_100016084084 [0,1,0,1,0,0|1,0,0]=3 2467 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100016084084_100000745022 [0,1,0,1,0,0|1,0,0]=3 2468 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,1,0,1,0,0|2,0,0]=4 2469 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.99 CC1(CO1)CNCCO 34a_100016990907_100000760498 [0,1,0,1,0,0|2,0,0]=4 2471 B9R1.99 CC1(CO1)CSCCF 62a_100000760498_100011217306 [0,1,0,1,0,0|2,0,0]=4 2472 B9R1.99 CC1(CO1)CSCCF 62a_100011217306_100000760498 [0,1,0,1,0,0|2,0,0]=4 2473 B9R1.99 CC1(CO1)CSCCO 62a_100000211926_100000760498 [0,1,0,1,0,0|1,0,0]=3 2474 B9R1.99 CC1(CO1)CSCCO 62a_100000760498_100000211926 [0,1,0,1,0,0|1,0,0]=3 2475 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [0,1,0,1,0,0|2,0,0]=4 2476 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [0,1,0,1,0,0|2,0,0]=4 2477 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,1,0,1,0,0|2,0,0]=4 2478 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,1,0,1,0,0|2,0,0]=4 2479 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,1,0,1,0,0|2,0,0]=4 2480 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,1,0,1,0,0|2,0,0]=4 2481 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,1,0,1,0,0|2,0,0]=4 2482 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,1,0,1,0,0|2,0,0]=4 2483 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,1,0,1,0,0|2,0,0]=4 2484 B9R1.85 CC(O)CNCC1CO1 2230a_100000210904_100011216344 [0,1,0,1,0,0|2,0,0]=4 2485 B9R1.85 CC(O)CNCC1CO1 34a_100000210904_102125554688 [0,1,0,1,0,0|2,0,0]=4 2486 B9R1.85 CC(O)COC[C@@H]1CO1 34a_100000757423_100011218427 [0,1,0,1,0,0|1,1,0]=4 2487 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,1,0,1,0,0|2,0,0]=4 2488 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,1,0,1,0,0|2,0,0]=4 2489 B9R1.85 CC(O)CSCC1CO1 62a_100011218427_102125554688 [0,1,0,1,0,0|1,0,0]=3 2490 B9R1.85 CC(O)CSCC1CO1 62a_102125554688_100011218427 [0,1,0,1,0,0|1,0,0]=3 2491 B9R1.85 CC(O)CSCC1CS1 62a_100000031435_100011218427 [0,1,0,1,0,0|1,1,0]=4 2492 B9R1.85 CC(O)CSCC1CS1 62a_100011218427_100000031435 [0,1,0,1,0,0|1,1,0]=4 2493 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100000745022_100011218427 [0,1,0,1,0,0|1,0,0]=3 2494 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100011218427_100000745022 [0,1,0,1,0,0|1,0,0]=3 2495 B9R1.85 C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100009817552 [0,1,0,1,0,0|1,1,0]=4 2496 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,1,0,1,0,0|2,0,0]=4 2497 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,1,0,1,0,0|2,0,0]=4 2498 B9R1.85 C[C@@H](O)CSCC1CO1 62a_100009817552_102125554688 [0,1,0,1,0,0|1,0,0]=3 2499 B9R1.85 C[C@@H](O)CSCC1CO1 62a_102125554688_100009817552 [0,1,0,1,0,0|1,0,0]=3 2500 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100000031435_100009817552 [0,1,0,1,0,0|1,1,0]=4 2501 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100009817552_100000031435 [0,1,0,1,0,0|1,1,0]=4 2502 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100009817552 [0,1,0,1,0,0|1,0,0]=3 2503 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100009817552_100000745022 [0,1,0,1,0,0|1,0,0]=3 2504 B9R1.85 FC(F)CSCC1CO1 62a_100011934356_102125554688 [0,1,0,1,0,0|2,0,0]=4 2505 B9R1.85 FC(F)CSCC1CO1 62a_102125554688_100011934356 [0,1,0,1,0,0|2,0,0]=4 2506 B9R1.85 FC(F)CSC[C@@H]1CO1 62a_100000745022_100011934356 [0,1,0,1,0,0|2,0,0]=4 2507 B9R1.85 FC(F)CSC[C@@H]1CO1 62a_100011934356_100000745022 [0,1,0,1,0,0|2,0,0]=4 2508 B9R2.69 C1CC1SC[C@@H]2CO2 62a_100000745022_100000211595 [0,0,0,2,0,0|2,0,0]=4 2509 B9R2.69 C1OC1CSC2CC2 62a_102125554688_100000211595 [0,0,0,2,0,0|2,0,0]=4