0 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,0,0,0,0,0|1,1,2]=4 5 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,0,0,0,0,0|1,1,2]=4 6 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,0,0,0,0,0|1,1,2]=4 7 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,0,0,0,0,0|1,1,2]=4 27 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,0,0,0,0,0|1,1,2]=4 28 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,0,0,0,0,0|1,1,2]=4 29 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,0,0,0,0,0|1,1,2]=4 30 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,0,0,0,0,0|1,1,2]=4 31 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [0,0,0,0,0,0|1,0,2]=3 32 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,0,0,0,0,0|1,0,2]=3 33 B7R0.1 C#CCSCCCF 62a_100000038162_100011934791 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,0,0,0,0,0|1,1,2]=4 39 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,0,0,0,0,0|1,1,2]=4 40 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,0,0,0,0,0|1,0,2]=3 43 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,0,0,0,0,0|3,0,0]=3 73 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,0,0,0,0,0|4,0,0]=4 80 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,0,0,0,0,0|4,0,0]=4 81 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,0,0,0,0,0|2,0,0]=2 86 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,0,0,0,0,0|3,0,0]=3 89 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,0,0,0,0,0|3,0,0]=3 90 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,0,0,0,0,0|3,0,0]=3 93 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,0,0,0,0,0|1,1,2]=4 94 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,0,0,0,0,0|1,1,2]=4 95 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,0,0,0,0,0|2,1,1]=4 96 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,0,0,0,0,0|2,1,0]=3 97 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,0,0,0,0,0|1,1,0]=2 98 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,0,0,0,0,0|1,1,0]=2 99 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,0,0,0,0,0|2,1,0]=3 100 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,0,0,0,0,0|2,1,0]=3 101 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,0,0,0,0,0|2,1,0]=3 102 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,0,0,0,0,0|2,1,0]=3 103 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [0,0,0,0,0,0|1,0,2]=3 106 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [0,0,0,0,0,0|1,0,2]=3 107 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,0,0,0,0|1,0,0]=1 110 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,0,0,0,0|1,0,0]=1 111 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,0,0,0,0,0|2,0,0]=2 112 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,0,0,0,0,0|2,0,0]=2 113 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,0,0,0,0,0|2,0,0]=2 115 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,0,0,0,0,0|2,0,0]=2 116 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,0,0,0,0,0|2,0,0]=2 117 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,0,0,0,0,0|2,0,0]=2 118 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.1 C=CCNCC#CC 2230a_100000685387_100000210623 [0,0,0,0,0,0|2,0,2]=4 120 B7R0.1 C=CCNCC#CC 2230a_100020586998_100000748600 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.1 C=CCNCC#CC 34a_100000685387_100015514636 [0,0,0,0,0,0|2,0,2]=4 122 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,0,0,0,0,0|2,0,2]=4 123 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,0,0,0,0,0|2,0,0]=2 126 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,0,0,0,0,0|2,0,0]=2 127 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,0,0,0,0,0|3,0,0]=3 131 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,0,0,0,0,0|3,0,0]=3 132 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,0,0,0,0,0|3,0,0]=3 133 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,0,0,0,0,0|3,0,0]=3 134 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,0,0,0,0,0|3,0,0]=3 135 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,0,0,0,0,0|1,1,2]=4 136 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,0,0,0,0,0|1,1,2]=4 137 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [0,0,0,0,0,0|1,1,2]=4 138 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [0,0,0,0,0,0|1,1,2]=4 139 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,0,0,0,0,0|1,1,2]=4 140 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,0,0,0,0,0|2,1,0]=3 141 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,0,0,0,0,0|1,1,0]=2 142 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,0,0,0,0,0|1,1,0]=2 143 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,0,0,0,0,0|1,1,0]=2 144 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,0,0,0,0,0|2,1,0]=3 145 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,0,0,0,0,0|2,1,0]=3 146 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,0,0,0,0,0|2,1,0]=3 147 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,0,0,0,0,0|2,1,0]=3 148 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,0,0,0,0,0|2,1,0]=3 149 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,0,0,0,0,0|2,1,0]=3 150 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,0,0,0,0,0|2,1,0]=3 151 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,0,0,0,0,0|2,1,0]=3 152 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,0,0,0,0,0|2,1,0]=3 153 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,0,0,0,0,0|3,1,0]=4 154 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,0,0,0,0,0|2,1,0]=3 155 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,0,0,0,0,0|2,1,0]=3 156 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,0,0,0,0,0|2,1,0]=3 157 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,0,0,0,0,0|2,1,0]=3 158 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,0,0,0,0,0|2,1,0]=3 159 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,0,0,0,0,0|1,0,2]=3 160 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,0,0,0,0,0|1,0,2]=3 161 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [0,0,0,0,0,0|1,0,2]=3 162 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [0,0,0,0,0,0|1,0,2]=3 163 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,0,0,0,0,0|1,0,2]=3 164 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,0,0,0,0,0|1,0,2]=3 165 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [0,0,0,0,0,0|2,0,1]=3 166 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,0,0,0,0|1,0,0]=1 168 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,0,0,0,0|1,0,0]=1 169 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,0,0,0,0,0|2,0,0]=2 170 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,0,0,0,0,0|2,0,0]=2 171 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,0,0,0,0|2,0,0]=2 172 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,0,0,0,0|2,0,0]=2 173 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,0,0,0,0,0|2,0,0]=2 174 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,0,0,0,0,0|2,0,0]=2 175 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,0,0,0,0,0|2,0,0]=2 176 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,0,0,0,0,0|2,0,0]=2 177 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,0,0,0,0,0|2,0,0]=2 178 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,0,0,0,0,0|2,0,0]=2 179 B7R0.1 C=CCSCSC#N 62a_100000210623_100000211825 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.1 C=CCSCSC#N 62a_100000211825_100000210623 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,0,0,0,0,0|4,0,0]=4 182 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,0,0,0,0,0|4,0,0]=4 183 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,0,0,0,0,0|4,0,0]=4 184 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,0,0,0,0,0|4,0,0]=4 185 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,0,0,0,0,0|4,0,0]=4 186 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,0,0,0,0,0|4,0,0]=4 187 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,0,0,0,0,0|4,0,0]=4 188 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,0,0,0,0,0|4,0,0]=4 189 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,0,0,0,0,0|4,0,0]=4 190 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,0,0,0,0,0|2,0,2]=4 191 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,0,0,0,0,0|2,0,2]=4 192 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,0,0,0,0,0|1,0,3]=4 193 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,0,0,0,0,0|1,0,3]=4 194 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,0,0,0,0,0|1,1,2]=4 195 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,0,0,0,0,0|2,0,2]=4 196 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,0,0,0,0,0|2,0,2]=4 197 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,0,0,0,0,0|1,0,2]=3 198 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,0,0,0,0,0|1,0,2]=3 199 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,0,0,0,0,0|2,0,2]=4 200 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,0,0,0,0,0|2,0,2]=4 201 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,0,0,0,0,0|2,0,2]=4 202 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,0,0,0,0,0|2,0,2]=4 203 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,0,0,0,0,0|2,0,2]=4 204 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,0,0,0,0,0|2,0,2]=4 205 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,0,0,0,0,0|2,0,2]=4 206 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,0,0,0,0,0|2,0,2]=4 207 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,0,0,0,0,0|3,0,1]=4 209 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,0,0,0,0,0|3,0,1]=4 210 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,0,0,0,0,0|3,0,1]=4 211 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,0,0,0,0,0|3,0,1]=4 212 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,0,0,0,0,0|3,0,1]=4 214 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,0,0,0,0,0|3,0,1]=4 215 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,0,0,0,0,0|3,0,1]=4 217 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,0,0,0,0,0|3,0,1]=4 218 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,0,0,0,0,0|3,0,1]=4 219 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,0,0,0,0,0|3,0,1]=4 220 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,0,0,0,0,0|3,0,1]=4 221 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,0,0,0,0,0|3,0,1]=4 222 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,0,0,0,0,0|3,0,1]=4 223 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,0,0,0,0,0|3,0,1]=4 227 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,0,0,0,0,0|3,0,1]=4 228 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,0,0,0,0,0|3,0,1]=4 229 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,0,0,0,0,0|3,0,1]=4 230 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,0,0,0,0,0|3,0,1]=4 231 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,0,0,0,0,0|3,0,1]=4 232 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,0,0,0,0,0|3,0,0]=3 233 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,0,0,0,0,0|3,0,0]=3 234 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,0,0,0,0,0|2,0,2]=4 235 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,0,0,0,0,0|2,0,2]=4 236 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,0,0,0,0,0|3,0,1]=4 237 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,0,0,0,0,0|3,0,1]=4 238 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,0,0,0,0,0|3,0,1]=4 239 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,0,0,0,0,0|3,0,1]=4 240 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,0,0,0,0,0|3,0,1]=4 241 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,0,0,0,0,0|3,0,1]=4 242 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,0,0,0,0,0|3,0,1]=4 243 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,0,0,0,0,0|3,0,1]=4 244 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,0,0,0,0,0|3,0,1]=4 245 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,0,0,0,0,0|2,1,1]=4 246 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,0,0,0,0,0|2,1,0]=3 247 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,0,0,0,0,0|2,1,0]=3 248 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,0,0,0,0,0|2,1,1]=4 249 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,0,0,0,0,0|1,1,2]=4 250 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,0,0,0,0,0|1,1,2]=4 251 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,0,0,0,0,0|1,1,2]=4 252 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,0,0,0,0,0|2,1,1]=4 253 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,0,0,0,0,0|2,1,1]=4 254 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,0,0,0,0,0|2,1,1]=4 255 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,0,0,0,0,0|2,1,1]=4 256 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,0,0,0,0,0|2,1,1]=4 257 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,0,0,0,0,0|2,1,1]=4 258 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,0,0,0,0,0|2,1,1]=4 259 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,0,0,0,0,0|2,1,1]=4 260 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,0,0,0,0,0|2,1,1]=4 261 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,0,0,0,0,0|2,1,1]=4 262 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,0,0,0,0,0|2,1,1]=4 263 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,0,0,0,0,0|2,1,1]=4 264 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,0,0,0,0,0|2,1,1]=4 265 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,0,0,0,0,0|2,0,1]=3 266 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,0,0,0,0,0|2,0,1]=3 267 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,0,0,0,0,0|2,0,0]=2 268 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,0,0,0,0,0|2,0,0]=2 269 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,0,0,0,0,0|1,0,2]=3 270 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,0,0,0,0,0|1,0,2]=3 271 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,0,0,0,0,0|2,0,1]=3 272 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,0,0,0,0,0|2,0,1]=3 273 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,0,0,0,0,0|2,0,1]=3 274 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,0,0,0,0,0|2,0,1]=3 275 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,0,0,0,0,0|2,0,1]=3 276 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,0,0,0,0,0|2,0,1]=3 277 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,0,0,0,0,0|2,0,1]=3 278 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,0,0,0,0,0|2,0,1]=3 279 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,0,0,0,0,0|3,0,1]=4 280 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,0,0,0,0,0|3,0,1]=4 281 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,0,0,0,0,0|3,0,1]=4 282 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,0,0,0,0,0|3,0,1]=4 283 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,0,0,0,0,0|2,1,1]=4 284 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,0,0,0,0,0|2,1,1]=4 285 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,0,0,0,0,0|2,1,1]=4 286 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,0,0,0,0,0|2,1,1]=4 287 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,0,0,0,0,0|2,1,1]=4 288 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,0,0,0,0,0|2,1,1]=4 289 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,0,0,0,0,0|2,1,1]=4 290 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,0,0,0,0,0|2,1,1]=4 291 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,0,0,0,0,0|2,1,1]=4 292 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,0,0,0,0,0|2,1,1]=4 293 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,0,0,0,0,0|2,1,1]=4 294 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,0,0,0,0,0|2,1,1]=4 295 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,0,0,0,0,0|2,1,1]=4 296 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,0,0,0,0,0|2,1,1]=4 297 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,0,0,0,0,0|2,1,1]=4 298 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,0,0,0,0,0|2,1,1]=4 299 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,0,0,0,0,0|2,1,1]=4 300 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,0,0,0,0,0|2,1,1]=4 301 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,0,0,0,0,0|3,1,0]=4 302 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,0,0,0,0,0|2,1,1]=4 303 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,0,0,0,0,0|2,1,1]=4 304 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,0,0,0,0,0|2,1,1]=4 305 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,0,0,0,0,0|2,1,1]=4 306 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,0,0,0,0,0|2,1,1]=4 307 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,0,0,0,0,0|2,1,1]=4 308 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,0,0,0,0,0|2,1,1]=4 309 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,0,0,0,0,0|2,1,1]=4 310 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,0,0,0,0,0|2,1,1]=4 311 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,0,0,0,0,0|2,0,1]=3 312 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,0,0,0,0,0|2,0,1]=3 313 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,0,0,0,0,0|2,0,1]=3 314 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,0,0,0,0,0|2,0,1]=3 315 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,0,0,0,0,0|2,0,1]=3 316 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,0,0,0,0,0|2,0,1]=3 317 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,0,0,0,0,0|2,0,1]=3 318 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,0,0,0,0,0|2,0,1]=3 319 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,0,0,0,0,0|2,0,1]=3 320 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,0,0,0,0,0|2,0,1]=3 321 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,0,0,0,0,0|2,0,1]=3 322 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,0,0,0,0,0|2,0,1]=3 323 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,0,0,0,0,0|2,0,1]=3 324 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,0,0,0,0,0|2,0,1]=3 325 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,0,0,0,0,0|2,0,1]=3 326 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,0,0,0,0,0|2,0,1]=3 327 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,0,0,0,0,0|2,0,2]=4 328 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,0,0,0,0,0|2,0,2]=4 329 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,0,0,0,0,0|3,0,1]=4 330 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,0,0,0,0,0|3,0,1]=4 331 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,0,0,0,0,0|4,0,0]=4 332 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,0,0,0,0,0|3,0,1]=4 333 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,0,0,0,0,0|3,0,1]=4 334 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,0,0,0,0,0|3,0,0]=3 335 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,0,0,0,0,0|3,0,0]=3 336 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,0,0,0,0,0|3,0,1]=4 337 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,0,0,0,0,0|3,0,1]=4 338 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,0,0,0,0,0|3,0,1]=4 339 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,0,0,0,0,0|3,0,1]=4 340 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,0,0,0,0,0|3,0,1]=4 341 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,0,0,0,0,0|3,0,1]=4 342 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,0,0,0,0,0|3,0,1]=4 343 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,0,0,0,0,0|3,0,1]=4 344 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,0,0,0,0,0|4,0,0]=4 345 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,0,0,0,0,0|4,0,0]=4 346 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,0,0,0,0,0|4,0,0]=4 347 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,0,0,0,0,0|4,0,0]=4 348 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,0,0,0,0,0|3,0,1]=4 349 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,0,0,0,0,0|4,0,0]=4 350 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,0,0,0,0,0|3,1,0]=4 351 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,0,0,0,0,0|3,0,1]=4 352 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,0,0,0,0,0|3,0,1]=4 353 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,0,0,0,0,0|3,0,0]=3 354 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,0,0,0,0,0|3,0,0]=3 355 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,0,0,0,0,0|3,0,1]=4 356 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,0,0,0,0,0|3,0,1]=4 357 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,0,0,0,0,0|3,0,1]=4 358 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,0,0,0,0,0|3,0,1]=4 359 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,0,0,0,0,0|3,0,1]=4 360 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,0,0,0,0,0|3,0,1]=4 361 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,0,0,0,0,0|3,0,1]=4 362 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,0,0,0,0,0|3,0,1]=4 363 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,0,0,0,0,0|3,0,1]=4 364 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,0,0,0,0,0|3,0,1]=4 365 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,0,0,0,0,0|3,0,1]=4 366 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,0,0,0,0,0|3,0,1]=4 367 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,0,0,0,0,0|3,0,1]=4 368 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,0,0,0,0,0|3,0,1]=4 369 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,0,0,0,0,0|3,0,1]=4 370 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,0,0,0,0,0|3,0,1]=4 371 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,0,0,0,0,0|4,0,0]=4 372 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,0,0,0,0,0|4,0,0]=4 373 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,0,0,0,0,0|4,0,0]=4 374 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,0,0,0,0,0|3,1,0]=4 375 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,0,0,0,0,0|3,1,0]=4 376 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,0,0,0,0,0|3,0,1]=4 377 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,0,0,0,0,0|3,0,1]=4 378 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,0,0,0,0,0|3,0,0]=3 379 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,0,0,0,0,0|3,0,0]=3 380 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,0,0,0,0,0|3,0,1]=4 381 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,0,0,0,0,0|3,0,1]=4 382 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,0,0,0,0,0|3,0,1]=4 383 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,0,0,0,0,0|3,0,1]=4 384 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,0,0,0,0,0|3,0,1]=4 385 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,0,0,0,0,0|3,0,1]=4 386 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,0,0,0,0,0|3,0,1]=4 387 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,0,0,0,0,0|3,0,1]=4 388 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,0,0,0,0,0|3,0,1]=4 389 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,0,0,0,0,0|3,0,1]=4 390 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,0,0,0,0,0|3,0,1]=4 391 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,0,0,0,0,0|3,0,1]=4 392 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,0,0,0,0,0|3,0,1]=4 393 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,0,0,0,0,0|3,0,1]=4 394 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,0,0,0,0,0|3,0,1]=4 395 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,0,0,0,0,0|3,0,1]=4 396 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,0,0,0,0,0|3,0,1]=4 397 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,0,0,0,0,0|3,0,1]=4 398 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,0,0,0,0,0|3,0,1]=4 399 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,0,0,0,0,0|3,0,1]=4 400 B7R0.1 N#CCSCCCF 62a_100011215382_100011934791 [0,0,0,0,0,0|3,0,1]=4 401 B7R0.1 N#CCSCCCF 62a_100011934791_100011215382 [0,0,0,0,0,0|3,0,1]=4 402 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,0,0,0,0,0|3,0,1]=4 403 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,0,0,0,0,0|3,0,1]=4 404 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,0,0,0,0,0|3,1,0]=4 405 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,0,0,0,0,0|4,0,0]=4 406 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,0,0,0,0,0|4,0,0]=4 407 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,0,0,0,0,0|3,1,0]=4 408 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,0,0,0,0,0|3,1,0]=4 409 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,0,0,0,0,0|3,1,0]=4 410 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,0,0,0,0,0|3,0,0]=3 411 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,0,0,0,0,0|3,0,0]=3 412 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,0,0,0,0,0|3,0,0]=3 413 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,0,0,0,0,0|3,0,0]=3 414 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,0,0,0,0,0|3,0,1]=4 415 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,0,0,0,0,0|3,0,1]=4 416 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,0,0,0,0,0|3,0,1]=4 417 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,0,0,0,0,0|3,0,1]=4 418 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,0,0,0,0,0|3,0,1]=4 419 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,0,0,0,0,0|3,0,1]=4 420 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,0,0,0,0,0|3,0,1]=4 421 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,0,0,0,0,0|4,0,0]=4 422 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,0,0,0,0,0|4,0,0]=4 423 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|1,0,2]=4 424 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|1,0,2]=4 425 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [1,0,0,0,0,0|1,0,2]=4 426 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [1,0,0,0,0,0|1,0,2]=4 427 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,0,0,0,0,0|1,0,2]=4 428 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [1,0,0,0,0,0|0,1,2]=4 429 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [1,0,0,0,0,0|0,1,2]=4 430 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,0,0,0,0,0|0,1,2]=4 431 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,0,0,0,0,0|0,1,2]=4 432 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [1,0,0,0,0,0|0,0,2]=3 433 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,0,0,0,0,0|1,0,2]=4 434 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,0,0,0,0,0|0,0,2]=3 435 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [1,0,0,0,0,0|1,0,2]=4 436 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [1,0,0,0,0,0|1,0,2]=4 437 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [1,0,0,0,0,0|1,0,2]=4 438 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [1,0,0,0,0,0|1,0,2]=4 439 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,0,2]=4 440 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,0,2]=4 441 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|2,0,0]=3 444 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|2,0,0]=3 445 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|2,0,0]=3 446 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|2,0,0]=3 447 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|2,0,0]=3 448 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|2,0,0]=3 449 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|2,0,0]=3 450 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|2,0,0]=3 451 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|2,0,0]=3 452 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|2,0,0]=3 453 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|2,0,0]=3 454 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|2,0,0]=3 455 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|2,0,0]=3 456 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|2,0,0]=3 457 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|2,0,0]=3 458 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|2,0,0]=3 459 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,1,0]=3 460 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,1,0]=3 461 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,0,0,0,0,0|2,1,0]=4 462 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|1,0,0]=2 463 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|1,0,0]=2 464 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,0,0,0,0,0|2,0,0]=3 466 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [1,0,0,0,0,0|2,0,1]=4 467 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [1,0,0,0,0,0|1,0,2]=4 468 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|1,0,0]=2 470 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,0,0,0,0|2,0,0]=3 471 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|2,0,0]=3 473 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|2,0,0]=3 474 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|2,0,0]=3 475 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,0,0,0,0|2,0,0]=3 477 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [1,0,0,0,0,0|0,1,2]=4 478 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,0,0,0,0|1,1,1]=4 479 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,0,0,0,0,0|1,1,0]=3 480 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|0,1,0]=2 481 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|0,1,0]=2 482 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,0,0,0,0,0|1,1,0]=3 483 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,0,0,0,0|1,1,0]=3 484 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,1,0]=3 485 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,0,0,0,0|1,1,0]=3 486 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [1,0,0,0,0,0|1,0,1]=3 487 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [1,0,0,0,0,0|1,0,1]=3 488 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [1,0,0,0,0,0|0,0,2]=3 489 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,0,0,0,0|1,0,1]=3 490 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,0,0,0,0|1,0,1]=3 491 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|0,0,0]=1 492 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|0,0,0]=1 493 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|1,0,0]=2 494 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|1,0,0]=2 495 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,0,0]=2 496 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,0,0]=2 497 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,0,0,0,0,0|1,0,0]=2 498 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,0,0,0,0,0|1,0,0]=2 499 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,0,0,0,0|1,0,0]=2 500 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,0,0,0,0|1,0,0]=2 501 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,0,0,0,0,0|2,1,0]=4 502 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,0,0,0,0,0|2,1,0]=4 503 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,0,0,0,0,0|2,1,0]=4 504 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,0,0,0,0,0|2,1,0]=4 505 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,0,0,0,0,0|2,1,0]=4 506 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,0,0,0,0,0|2,1,0]=4 507 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|2,1,0]=4 508 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|2,1,0]=4 509 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|2,1,0]=4 510 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|2,1,0]=4 511 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,0,2]=4 512 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,0,2]=4 513 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 514 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|2,0,1]=4 519 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|2,0,1]=4 520 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|2,0,1]=4 521 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|2,0,1]=4 524 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,1]=4 530 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,1]=4 531 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|3,0,0]=4 532 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,1,1]=4 533 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,1,1]=4 534 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,1,1]=4 535 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,1,0]=4 536 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,1,0]=4 537 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,0,1]=3 538 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,0,1]=3 539 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,0]=3 540 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,0]=3 541 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|2,0,1]=4 544 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,1,0]=3 545 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|1,1,1]=4 546 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|0,1,2]=4 547 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|1,1,1]=4 548 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|1,1,1]=4 549 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,1,1]=4 550 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|1,1,1]=4 551 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,0,0,0,0,0|1,0,1]=3 552 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,0,0,0,0,0|1,0,1]=3 553 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,0]=2 554 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,0]=2 555 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|0,0,2]=3 556 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|1,0,1]=3 557 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|1,0,1]=3 558 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,1]=3 559 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,1]=3 560 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|1,0,1]=3 561 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|1,0,1]=3 562 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|1,0,1]=3 563 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|1,0,1]=3 564 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,1]=4 566 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|3,0,0]=4 567 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|3,0,0]=4 568 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 569 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 570 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,1]=4 571 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,1]=4 572 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|2,0,1]=4 574 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|2,0,1]=4 575 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|2,0,1]=4 576 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|2,0,1]=4 577 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|2,0,1]=4 578 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 580 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,0,1]=4 581 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,0,1]=4 582 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,0,1]=4 583 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 585 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,1]=4 589 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,1]=4 590 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,1]=4 592 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|3,0,0]=4 593 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|3,0,0]=4 594 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,0,0,0,0,0|3,0,0]=4 595 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,0,0,0,0,0|3,0,0]=4 596 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [1,0,0,0,0,0|2,0,1]=4 597 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [1,0,0,0,0,0|2,0,1]=4 598 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|2,0,0]=3 599 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|2,0,0]=3 600 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|2,0,1]=4 603 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|2,0,1]=4 604 B6R0.6 COCSCOC 62a_100000766300_100000766300 [1,0,0,0,0,0|2,0,1]=4 605 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,0,0,0,0,0|2,0,1]=4 606 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,0,0,0,0,0|2,0,1]=4 607 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|3,0,0]=4 608 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|3,0,0]=4 609 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|3,0,0]=4 610 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|3,0,0]=4 611 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [1,0,0,0,0,0|2,0,1]=4 613 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|2,0,0]=3 614 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|2,0,0]=3 615 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,0,0,0,0,0|2,0,1]=4 616 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,0,0,0,0,0|2,0,1]=4 617 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|2,0,1]=4 618 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|2,0,1]=4 619 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,0,0,0,0,0|2,0,1]=4 620 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,0,0,0,0,0|3,0,0]=4 621 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,0,0,0,0,0|3,0,0]=4 622 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [1,0,0,0,0,0|2,0,1]=4 623 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,0,0,0,0,0|2,0,1]=4 624 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,0,0,0,0,0|2,0,1]=4 625 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [1,0,0,0,0,0|2,0,1]=4 626 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [1,0,0,0,0,0|2,0,1]=4 627 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [1,0,0,0,0,0|2,0,1]=4 628 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [1,0,0,0,0,0|2,0,1]=4 629 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,0,0,0,0|2,1,0]=4 630 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,0,0,0,0|3,0,0]=4 631 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|3,0,0]=4 632 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|3,0,0]=4 633 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,0,0,0,0|2,1,0]=4 634 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,0,0,0,0,0|2,0,1]=4 635 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|2,0,0]=3 636 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|2,0,0]=3 637 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,0]=3 638 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,0]=3 639 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|3,0,0]=4 640 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|3,0,0]=4 641 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,0,0,0,0|2,0,1]=4 644 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|3,0,0]=4 645 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|3,0,0]=4 646 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,1,0,0,0,0|1,0,2]=4 647 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|2,0,0]=3 651 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|3,0,0]=4 656 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|3,0,0]=4 657 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|3,0,0]=4 658 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,0,0,0,0|3,0,0]=4 660 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|2,0,0]=3 661 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|2,0,0]=3 663 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 666 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 667 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,0,0,0,0|3,0,0]=4 668 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,0,0,0,0|3,0,0]=4 669 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,1,0,0,0,0|3,0,0]=4 671 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,1,0,0,0,0|3,0,0]=4 672 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|2,0,0]=3 674 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|2,0,0]=3 675 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,1,0,0,0,0|2,0,0]=3 687 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,1,0,0,0,0|2,0,0]=3 689 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,1,0,0,0,0|2,0,0]=3 690 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.1 C=CCCN(C)COC 2230a_100020639649_100000766300 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.1 C=CCCN(C)COC 269982a_100020639649_100000766300 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.1 C=CCCN(C)CSC 2230a_100020639649_100011218213 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.1 C=CCCN(C)CSC 269982a_100020639649_100011218213 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,1,0,0,0,0|2,0,0]=3 701 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,1,0,0,0,0|2,0,0]=3 703 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,1,0,0,0,0|2,0,0]=3 704 B8R0.1 C=CCN(C)CCCF 2230a_100000225617_100011934791 [0,1,0,0,0,0|3,0,0]=4 705 B8R0.1 C=CCN(C)CCCF 269982a_100000225617_100011934791 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.1 C=CCN(C)CCCO 2230a_100000213112_100000210623 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.1 C=CCN(C)CCCO 2230a_100000225617_100000230001 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.1 C=CCN(C)CCCO 269982a_100000213112_100000210623 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.1 C=CCN(C)CCCO 269982a_100000225617_100011215043 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.1 C=CCN(C)CCOC 2230a_100000225617_100011201679 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.1 C=CCN(C)CCOC 2230a_100000743101_100000210623 [0,1,0,0,0,0|3,0,0]=4 712 B8R0.1 C=CCN(C)CCOC 269982a_100000225617_100000233755 [0,1,0,0,0,0|3,0,0]=4 713 B8R0.1 C=CCN(C)CCOC 269982a_100000743101_100000210623 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.1 C=CCN(C)CCSC 2230a_100000225617_100000751147 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.1 C=CCN(C)CCSC 2230a_100000686725_100000210623 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.1 C=CCN(C)CCSC 269982a_100000225617_100000212216 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.1 C=CCN(C)CCSC 269982a_100000686725_100000210623 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.1 C=CCN(C)COCC 269982a_100000225617_100000739092 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,0,0,0,0|2,0,0]=3 721 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,0,0,0,0|2,0,0]=3 722 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,1,0,0,0,0|3,0,0]=4 735 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,0,0,0,0|3,0,0]=4 736 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,1,0,0,0,0|2,0,0]=3 743 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,1,0,0,0,0|3,0,0]=4 745 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [0,1,0,0,0,0|3,0,0]=4 747 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,1,0,0,0,0|3,0,0]=4 748 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,1,0,0,0,0|3,0,0]=4 749 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|2,1,0]=4 751 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|2,1,0]=4 752 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|2,1,0]=4 753 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|2,1,0]=4 754 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|2,1,0]=4 755 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|2,1,0]=4 756 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|2,1,0]=4 757 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|2,1,0]=4 758 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [0,1,0,0,0,0|2,1,0]=4 759 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,1,0,0,0,0|1,1,0]=3 760 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,1,0,0,0,0|1,1,0]=3 761 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,1,0,0,0,0|1,1,0]=3 762 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,1,0,0,0,0|2,1,0]=4 763 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,1,0,0,0,0|2,1,0]=4 764 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,1,0,0,0,0|2,1,0]=4 765 B8R0.1 C=CCSC(C)CC#N 62a_100000210623_100009813641 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.1 C=CCSC(C)CC#N 62a_100009813641_100000210623 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,1,0,0,0,0|1,0,0]=2 768 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,1,0,0,0,0|1,0,0]=2 769 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,1,0,0,0,0|2,0,0]=3 770 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,1,0,0,0,0|2,0,0]=3 771 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,1,0,0,0,0|2,0,0]=3 772 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,1,0,0,0,0|1,1,0]=3 774 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,1,0,0,0,0|1,1,0]=3 775 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,1,0,0,0,0|2,1,0]=4 776 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,1,0,0,0,0|2,1,0]=4 777 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,0,0,0,0|2,1,0]=4 778 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,0,0,0,0|2,1,0]=4 779 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,1,0,0,0,0|2,1,0]=4 780 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,1,0,0,0,0|3,0,0]=4 781 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,1,0,0,0,0|3,0,0]=4 782 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,1,0,0,0,0|3,0,0]=4 783 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,1,0,0,0,0|3,0,0]=4 784 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,0,0,0,0|2,1,0]=4 785 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,0,0,0,0|2,1,0]=4 786 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,0,0,0,0|2,0,0]=3 789 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,0,0,0,0|2,0,0]=3 790 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,1,0,0,0,0|3,0,0]=4 799 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,1,0,0,0,0|3,0,0]=4 800 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|1,0,2]=4 803 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|1,0,2]=4 804 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.4 C#CCCCNCC=C 2230a_100020586998_100000731252 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.4 C#CCCCNCC=C 34a_100000718082_100015514636 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.4 C#CCCCOCC=C 34a_100000215630_100015514636 [0,1,0,0,0,0|1,1,1]=4 813 B8R0.4 C#CCCCOCC=C 34a_200000210373_100000695029 [0,1,0,0,0,0|1,1,1]=4 814 B8R0.4 C#CCCCOCC=C 7a_100000215630_100015514636 [0,1,0,0,0,0|1,1,1]=4 815 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [0,1,0,0,0,0|1,0,1]=3 816 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [0,1,0,0,0,0|1,0,1]=3 817 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,1,0,0,0,0|1,0,2]=4 820 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,1,0,0,0,0|1,0,2]=4 821 B8R0.4 C#CCCNCCC=C 2230a_100015191253_100000688953 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.4 C#CCCNCCC=C 34a_100000755551_100000754431 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.4 C#CCCOCCC=C 34a_100011205117_100000688953 [0,1,0,0,0,0|1,1,1]=4 824 B8R0.4 C#CCCOCCC=C 34a_100011215631_100000754431 [0,1,0,0,0,0|1,1,1]=4 825 B8R0.4 C#CCCSC/C=C/C 62a_100000688953_100102629194 [0,1,0,0,0,0|1,0,2]=4 826 B8R0.4 C#CCCSC/C=C/C 62a_100102629194_100000688953 [0,1,0,0,0,0|1,0,2]=4 827 B8R0.4 C#CCCSCC=CC 62a_100000070051_100000688953 [0,1,0,0,0,0|1,0,2]=4 828 B8R0.4 C#CCCSCC=CC 62a_100000688953_100000070051 [0,1,0,0,0,0|1,0,2]=4 829 B8R0.4 C#CCCSCCC=C 62a_100000688953_100000754431 [0,1,0,0,0,0|1,0,1]=3 830 B8R0.4 C#CCCSCCC=C 62a_100000754431_100000688953 [0,1,0,0,0,0|1,0,1]=3 831 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,1,0,0,0,0|1,0,2]=4 832 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,1,0,0,0,0|1,0,2]=4 833 B8R0.4 C#CCCSCCCF 62a_100000688953_100011934791 [0,1,0,0,0,0|1,0,2]=4 834 B8R0.4 C#CCCSCCCF 62a_100011934791_100000688953 [0,1,0,0,0,0|1,0,2]=4 835 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,1,0,0,0,0|1,0,2]=4 836 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,1,0,0,0,0|1,0,2]=4 837 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,1,0,0,0,0|1,0,2]=4 838 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,1,0,0,0,0|1,0,2]=4 839 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,1,0,0,0,0|1,0,2]=4 840 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,1,0,0,0,0|1,0,2]=4 841 B8R0.4 C#CCCSCOCC 62a_100000688953_100000739092 [0,1,0,0,0,0|1,0,2]=4 842 B8R0.4 C#CCCSCOCC 62a_100000739092_100000688953 [0,1,0,0,0,0|1,0,2]=4 843 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [0,1,0,0,0,0|1,0,2]=4 844 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,1,0,0,0,0|1,0,2]=4 845 B8R0.4 C#CCSCCCCF 62a_100000038162_100000729493 [0,1,0,0,0,0|1,0,2]=4 846 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,1,0,0,0,0|1,0,2]=4 847 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,1,0,0,0,0|1,0,2]=4 848 B8R0.4 C#CCSCCOC=C 62a_100000038162_100000039644 [0,1,0,0,0,0|1,0,2]=4 849 B8R0.4 C#CCSCCOCC 62a_100000038162_100011215890 [0,1,0,0,0,0|1,0,2]=4 850 B8R0.4 C#CCSCCSCC 62a_100000038162_100000757381 [0,1,0,0,0,0|1,0,2]=4 851 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,1,0,0,0,0|1,1,0]=3 852 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [0,1,0,0,0,0|2,1,0]=4 853 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,1,0,0,0,0|2,1,0]=4 854 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [0,1,0,0,0,0|2,1,0]=4 855 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,1,0,0,0,0|2,0,0]=3 856 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [0,1,0,0,0,0|3,0,0]=4 857 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [0,1,0,0,0,0|2,1,0]=4 858 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,1,0,0,0,0|1,1,0]=3 859 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,1,0,0,0,0|1,1,0]=3 860 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,1,0,0,0,0|1,1,0]=3 861 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [0,1,0,0,0,0|2,1,0]=4 862 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [0,1,0,0,0,0|2,1,0]=4 863 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [0,1,0,0,0,0|2,1,0]=4 864 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,1,0,0,0,0|2,1,0]=4 865 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [0,1,0,0,0,0|2,1,0]=4 866 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [0,1,0,0,0,0|2,1,0]=4 867 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [0,1,0,0,0,0|2,1,0]=4 868 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,1,0,0,0,0|2,1,0]=4 869 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,1,0,0,0,0|2,1,0]=4 870 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,1,0,0,0,0|2,1,0]=4 871 B8R0.4 C/C=C/CSC/C=C/C 62a_100102629194_100102629194 [0,1,0,0,0,0|1,0,2]=4 872 B8R0.4 C/C=C/CSCCC#N 62a_100011215226_100102629194 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.4 C/C=C/CSCCC#N 62a_100102629194_100011215226 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,1,0,0,0,0|1,0,0]=2 875 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,1,0,0,0,0|1,0,0]=2 876 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,1,0,0,0,0|2,0,0]=3 877 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,1,0,0,0,0|2,0,0]=3 878 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,1,0,0,0,0|2,0,0]=3 879 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,1,0,0,0,0|2,0,0]=3 883 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,1,0,0,0,0|2,0,0]=3 884 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [0,1,0,0,0,0|2,0,0]=3 885 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [0,1,0,0,0,0|2,0,0]=3 886 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,1,0,0,0,0|2,0,0]=3 892 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,1,0,0,0,0|2,0,0]=3 899 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,1,0,0,0,0|2,0,0]=3 900 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,1,0,0,0,0|2,0,0]=3 904 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,1,0,0,0,0|2,0,0]=3 905 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,1,0,0,0,0|2,0,0]=3 910 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,1,0,0,0,0|3,0,0]=4 920 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,1,0,0,0,0|3,0,0]=4 923 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,1,0,0,0,0|3,0,0]=4 924 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [0,1,0,0,0,0|1,1,1]=4 928 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [0,1,0,0,0,0|1,1,1]=4 929 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [0,1,0,0,0,0|1,1,1]=4 930 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,1,0,0,0,0|2,1,0]=4 931 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,1,0,0,0,0|1,1,0]=3 932 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,1,0,0,0,0|1,1,0]=3 933 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,1,0,0,0,0|1,1,0]=3 934 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,1,0,0,0,0|2,1,0]=4 935 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,1,0,0,0,0|2,1,0]=4 936 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,1,0,0,0,0|2,1,0]=4 937 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,1,0,0,0,0|2,1,0]=4 938 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,1,0,0,0,0|2,1,0]=4 939 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,1,0,0,0,0|2,1,0]=4 940 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [0,1,0,0,0,0|1,0,1]=3 943 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [0,1,0,0,0,0|1,0,1]=3 944 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,0,0,0,0|1,0,0]=2 947 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,0,0,0,0|1,0,0]=2 948 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,1,0,0,0,0|2,0,0]=3 949 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,1,0,0,0,0|2,0,0]=3 950 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,1,0,0,0,0|2,0,0]=3 951 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,1,0,0,0,0|2,0,0]=3 952 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,1,0,0,0,0|2,0,0]=3 953 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,1,0,0,0,0|2,0,0]=3 954 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,1,0,0,0,0|2,0,0]=3 955 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,1,0,0,0,0|2,0,0]=3 956 B8R0.4 C=CCCNCC#CC 2230a_100000685387_100000754431 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.4 C=CCCNCC#CC 2230a_100015191253_100000748600 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.4 C=CCCNCC#CC 34a_100000685387_100000754431 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.4 C=CCCNCCC#N 2230a_100015191253_100011215226 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,1,0,0,0,0|2,0,1]=4 962 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,1,0,0,0,0|2,0,0]=3 964 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,1,0,0,0,0|2,0,0]=3 965 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,1,0,0,0,0|2,0,0]=3 966 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,1,0,0,0,0|2,0,0]=3 967 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,1,0,0,0,0|2,0,0]=3 968 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,1,0,0,0,0|2,0,0]=3 969 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,1,0,0,0,0|2,0,0]=3 970 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,1,0,0,0,0|2,0,0]=3 971 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,1,0,0,0,0|2,0,0]=3 973 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [0,1,0,0,0,0|1,1,1]=4 974 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [0,1,0,0,0,0|1,1,1]=4 975 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [0,1,0,0,0,0|1,1,1]=4 976 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [0,1,0,0,0,0|1,1,1]=4 977 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [0,1,0,0,0,0|1,1,1]=4 978 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [0,1,0,0,0,0|1,1,1]=4 979 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,1,0,0,0,0|1,1,0]=3 980 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,1,0,0,0,0|1,1,0]=3 981 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,1,0,0,0,0|1,1,0]=3 982 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,1,0,0,0,0|1,1,0]=3 983 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,1,0,0,0,0|1,1,0]=3 984 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,1,0,0,0,0|1,1,0]=3 985 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,1,0,0,0,0|1,1,0]=3 986 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,1,0,0,0,0|1,1,0]=3 987 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,1,0,0,0,0|1,1,0]=3 988 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,1,0,0,0,0|1,1,0]=3 989 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,1,0,0,0,0|1,1,0]=3 990 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [0,1,0,0,0,0|2,1,0]=4 991 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,1,0,0,0,0|1,1,0]=3 992 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,1,0,0,0,0|1,1,0]=3 993 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,1,0,0,0,0|1,1,0]=3 994 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [0,1,0,0,0,0|1,0,1]=3 995 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [0,1,0,0,0,0|1,0,1]=3 996 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [0,1,0,0,0,0|1,0,1]=3 997 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [0,1,0,0,0,0|1,0,1]=3 998 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [0,1,0,0,0,0|1,0,1]=3 999 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [0,1,0,0,0,0|1,0,1]=3 1000 B8R0.4 C=CCCSCCC#N 62a_100000754431_100011215226 [0,1,0,0,0,0|1,0,1]=3 1001 B8R0.4 C=CCCSCCC#N 62a_100011215226_100000754431 [0,1,0,0,0,0|1,0,1]=3 1002 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [0,1,0,0,0,0|1,0,1]=3 1003 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,1,0,0,0,0|1,0,0]=2 1004 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,1,0,0,0,0|1,0,0]=2 1005 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,1,0,0,0,0|1,0,0]=2 1006 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,1,0,0,0,0|1,0,0]=2 1007 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,0,0,0,0|1,0,0]=2 1008 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,0,0,0,0|1,0,0]=2 1009 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,1,0,0,0,0|1,0,0]=2 1010 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,1,0,0,0,0|1,0,0]=2 1011 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,1,0,0,0,0|1,0,0]=2 1012 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,1,0,0,0,0|1,0,0]=2 1013 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,1,0,0,0,0|1,0,0]=2 1014 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,1,0,0,0,0|1,0,0]=2 1015 B8R0.4 C=CCCSCSC#N 62a_100000211825_100000754431 [0,1,0,0,0,0|2,0,1]=4 1016 B8R0.4 C=CCCSCSC#N 62a_100000754431_100000211825 [0,1,0,0,0,0|2,0,1]=4 1017 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.4 C=CCNCC#CCC 2230a_100020586998_100009813939 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.4 C=CCNCCCC#N 2230a_100020586998_100000687738 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,1,0,0,0,0|2,0,1]=4 1021 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,1,0,0,0,0|2,0,0]=3 1022 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,1,0,0,0,0|2,0,0]=3 1023 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,1,0,0,0,0|2,0,0]=3 1024 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,1,0,0,0,0|2,0,0]=3 1025 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,1,0,0,0,0|2,0,0]=3 1026 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,1,0,0,0,0|2,0,0]=3 1027 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,1,0,0,0,0|2,0,0]=3 1028 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,1,0,0,0,0|2,0,0]=3 1029 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,1,0,0,0,0|2,0,0]=3 1030 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,1,0,0,0,0|2,0,0]=3 1031 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,1,0,0,0,0|2,0,0]=3 1032 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,1,0,0,0,0|2,0,0]=3 1033 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,1,0,0,0,0|2,0,0]=3 1034 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,1,0,0,0,0|2,0,0]=3 1035 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [0,1,0,0,0,0|1,1,1]=4 1036 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [0,1,0,0,0,0|1,1,1]=4 1037 B8R0.4 C=CCOCC#CCC 34a_100000032950_100015514636 [0,1,0,0,0,0|1,1,1]=4 1038 B8R0.4 C=CCOCC#CCC 34a_200000210373_100009813939 [0,1,0,0,0,0|1,1,1]=4 1039 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [0,1,0,0,0,0|1,1,1]=4 1040 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [0,1,0,0,0,0|1,1,1]=4 1041 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,1,0,0,0,0|1,1,0]=3 1042 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,1,0,0,0,0|1,1,0]=3 1043 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,1,0,0,0,0|1,1,0]=3 1044 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,1,0,0,0,0|1,1,0]=3 1045 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,1,0,0,0,0|1,1,0]=3 1046 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,1,0,0,0,0|1,1,0]=3 1047 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,1,0,0,0,0|1,1,0]=3 1048 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,1,0,0,0,0|1,1,0]=3 1049 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,1,0,0,0,0|1,1,0]=3 1050 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,1,0,0,0,0|1,1,0]=3 1051 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,1,0,0,0,0|1,1,0]=3 1052 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,1,0,0,0,0|1,1,0]=3 1053 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,1,0,0,0,0|1,1,0]=3 1054 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,1,0,0,0,0|1,1,0]=3 1055 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,1,0,0,0,0|1,1,0]=3 1056 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,1,0,0,0,0|1,1,0]=3 1057 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,1,0,0,0,0|1,1,0]=3 1058 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,1,0,0,0,0|1,1,0]=3 1059 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,1,0,0,0,0|1,1,0]=3 1060 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,1,0,0,0,0|1,1,0]=3 1061 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,1,0,0,0,0|1,1,0]=3 1062 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,1,0,0,0,0|1,1,0]=3 1063 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [0,1,0,0,0,0|2,1,0]=4 1064 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [0,1,0,0,0,0|2,1,0]=4 1065 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,1,0,0,0,0|1,1,0]=3 1066 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,1,0,0,0,0|1,1,0]=3 1067 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,1,0,0,0,0|1,1,0]=3 1068 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,1,0,0,0,0|1,0,1]=3 1069 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,1,0,0,0,0|1,0,1]=3 1070 B8R0.4 C=CCSCC#CCC 62a_100000210623_100009813939 [0,1,0,0,0,0|1,0,1]=3 1071 B8R0.4 C=CCSCC#CCC 62a_100009813939_100000210623 [0,1,0,0,0,0|1,0,1]=3 1072 B8R0.4 C=CCSCC#CCO 62a_100000210623_200000047223 [0,1,0,0,0,0|1,0,2]=4 1073 B8R0.4 C=CCSCC#CCO 62a_200000047223_100000210623 [0,1,0,0,0,0|1,0,2]=4 1074 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [0,1,0,0,0,0|1,0,1]=3 1075 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [0,1,0,0,0,0|1,0,1]=3 1076 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,1,0,0,0,0|1,0,1]=3 1077 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,1,0,0,0,0|1,0,1]=3 1078 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,1,0,0,0,0|1,0,0]=2 1079 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,1,0,0,0,0|1,0,0]=2 1080 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,1,0,0,0,0|1,0,0]=2 1081 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,1,0,0,0,0|1,0,0]=2 1082 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,1,0,0,0,0|1,0,0]=2 1083 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,1,0,0,0,0|1,0,0]=2 1084 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,1,0,0,0,0|1,0,0]=2 1085 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,1,0,0,0,0|1,0,0]=2 1086 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [0,1,0,0,0,0|1,0,2]=4 1087 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [0,1,0,0,0,0|1,0,2]=4 1088 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,1,0,0,0,0|1,0,0]=2 1089 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,1,0,0,0,0|1,0,0]=2 1090 B8R0.4 C=CCSCCSC#N 62a_100000034367_100000210623 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.4 C=CCSCCSC#N 62a_100000210623_100000034367 [0,1,0,0,0,0|2,0,1]=4 1092 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,1,0,0,0,0|1,0,0]=2 1093 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,1,0,0,0,0|1,0,0]=2 1094 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1095 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1096 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1097 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1098 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,1,0,0,0,0|3,0,0]=4 1099 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [0,1,0,0,0,0|3,0,0]=4 1101 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,1,0,0,0,0|3,0,0]=4 1102 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,1,0,0,0,0|3,0,0]=4 1103 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [0,1,0,0,0,0|2,1,0]=4 1104 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,1,0,0,0,0|1,1,0]=3 1105 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,1,0,0,0,0|1,1,0]=3 1106 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [0,1,0,0,0,0|2,1,0]=4 1107 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [0,1,0,0,0,0|2,1,0]=4 1108 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [0,1,0,0,0,0|2,1,0]=4 1109 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,1,0,0,0,0|2,1,0]=4 1110 B8R0.4 C=COCCSCC#N 62a_100000039644_100011215382 [0,1,0,0,0,0|2,0,1]=4 1111 B8R0.4 C=COCCSCC#N 62a_100011215382_100000039644 [0,1,0,0,0,0|2,0,1]=4 1112 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [0,1,0,0,0,0|2,0,1]=4 1113 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [0,1,0,0,0,0|2,0,1]=4 1114 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,1,0,0,0,0|1,0,0]=2 1115 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,1,0,0,0,0|1,0,0]=2 1116 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,1,0,0,0,0|2,0,0]=3 1118 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,1,0,0,0,0|2,0,0]=3 1119 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,1,0,0,0,0|2,0,0]=3 1120 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [0,1,0,0,0,0|2,0,0]=3 1121 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [0,1,0,0,0,0|2,0,0]=3 1122 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,1,0,0,0,0|2,0,0]=3 1123 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,1,0,0,0,0|2,0,0]=3 1124 B8R0.4 CC#CCSC/C=C/C 62a_100000748600_100102629194 [0,1,0,0,0,0|1,0,2]=4 1125 B8R0.4 CC#CCSC/C=C/C 62a_100102629194_100000748600 [0,1,0,0,0,0|1,0,2]=4 1126 B8R0.4 CC#CCSCC=CC 62a_100000070051_100000748600 [0,1,0,0,0,0|1,0,2]=4 1127 B8R0.4 CC#CCSCC=CC 62a_100000748600_100000070051 [0,1,0,0,0,0|1,0,2]=4 1128 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,1,0,0,0,0|1,0,2]=4 1129 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,1,0,0,0,0|1,0,2]=4 1130 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,1,0,0,0,0|2,0,1]=4 1131 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,1,0,0,0,0|2,0,1]=4 1132 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,1,0,0,0,0|1,0,2]=4 1133 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,1,0,0,0,0|1,0,2]=4 1134 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,1,0,0,0,0|3,0,0]=4 1135 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,1,0,0,0,0|2,0,0]=3 1136 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,1,0,0,0,0|2,0,0]=3 1137 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [0,1,0,0,0,0|3,0,0]=4 1138 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [0,1,0,0,0,0|3,0,0]=4 1139 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,1,0,0,0,0|3,0,0]=4 1140 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,1,0,0,0,0|3,0,0]=4 1141 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [0,1,0,0,0,0|2,1,0]=4 1142 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,1,0,0,0,0|1,1,0]=3 1143 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,1,0,0,0,0|1,1,0]=3 1144 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [0,1,0,0,0,0|2,1,0]=4 1145 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [0,1,0,0,0,0|2,1,0]=4 1146 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,1,0,0,0,0|2,1,0]=4 1147 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [0,1,0,0,0,0|2,1,0]=4 1148 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,1,0,0,0,0|2,1,0]=4 1149 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,1,0,0,0,0|2,1,0]=4 1150 B8R0.4 CC=CCSC/C=C/C 62a_100000070051_100102629194 [0,1,0,0,0,0|1,0,2]=4 1151 B8R0.4 CC=CCSC/C=C/C 62a_100102629194_100000070051 [0,1,0,0,0,0|1,0,2]=4 1152 B8R0.4 CC=CCSCC=CC 62a_100000070051_100000070051 [0,1,0,0,0,0|1,0,2]=4 1153 B8R0.4 CC=CCSCCC#N 62a_100000070051_100011215226 [0,1,0,0,0,0|2,0,1]=4 1154 B8R0.4 CC=CCSCCC#N 62a_100011215226_100000070051 [0,1,0,0,0,0|2,0,1]=4 1155 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,1,0,0,0,0|1,0,0]=2 1156 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,1,0,0,0,0|1,0,0]=2 1157 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,1,0,0,0,0|2,0,0]=3 1158 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,1,0,0,0,0|2,0,0]=3 1159 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,1,0,0,0,0|2,0,0]=3 1161 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,1,0,0,0,0|2,0,0]=3 1164 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,1,0,0,0,0|2,0,0]=3 1165 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [0,1,0,0,0,0|2,0,0]=3 1166 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [0,1,0,0,0,0|2,0,0]=3 1167 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [0,1,0,0,0,0|2,0,1]=4 1168 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [0,1,0,0,0,0|2,0,1]=4 1169 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,1,0,0,0,0|3,0,0]=4 1170 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,1,0,0,0,0|2,1,0]=4 1171 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,1,0,0,0,0|2,1,0]=4 1172 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,1,0,0,0,0|2,0,1]=4 1173 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,1,0,0,0,0|2,0,1]=4 1174 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,1,0,0,0,0|2,0,0]=3 1175 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,1,0,0,0,0|2,0,0]=3 1176 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,1,0,0,0,0|1,0,2]=4 1177 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,1,0,0,0,0|1,0,2]=4 1178 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,1,0,0,0,0|2,0,1]=4 1180 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,1,0,0,0,0|2,0,1]=4 1181 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,1,0,0,0,0|2,0,1]=4 1182 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,1,0,0,0,0|2,0,1]=4 1183 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,1,0,0,0,0|2,0,1]=4 1184 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,1,0,0,0,0|2,0,1]=4 1185 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,1,0,0,0,0|1,0,2]=4 1187 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,1,0,0,0,0|1,0,2]=4 1188 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,1,0,0,0,0|1,0,2]=4 1189 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,1,0,0,0,0|1,0,2]=4 1190 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,1,0,0,0,0|1,0,2]=4 1191 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,1,0,0,0,0|1,0,2]=4 1192 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,1,0,0,0,0|1,0,2]=4 1193 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,1,0,0,0,0|1,0,2]=4 1194 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,1,0,0,0,0|1,0,2]=4 1195 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,1,0,0,0,0|1,0,2]=4 1196 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,1,0,0,0,0|1,0,2]=4 1197 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,1,0,0,0,0|1,0,2]=4 1198 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,1,0,0,0,0|1,0,2]=4 1199 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,1,0,0,0,0|1,0,2]=4 1200 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,1,0,0,0,0|1,0,2]=4 1201 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,1,0,0,0,0|1,0,2]=4 1202 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,1,0,0,0,0|1,0,2]=4 1203 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,1,0,0,0,0|1,0,2]=4 1204 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,1,0,0,0,0|1,0,2]=4 1205 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,1,0,0,0,0|2,0,1]=4 1207 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,1,0,0,0,0|1,0,2]=4 1208 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,1,0,0,0,0|1,0,2]=4 1209 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,1,0,0,0,0|1,0,1]=3 1210 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,1,0,0,0,0|1,0,1]=3 1211 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,1,0,0,0,0|1,0,2]=4 1212 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,1,0,0,0,0|1,0,2]=4 1213 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,1,0,0,0,0|1,0,2]=4 1214 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,1,0,0,0,0|1,0,2]=4 1215 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,1,0,0,0,0|1,0,2]=4 1216 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,1,0,0,0,0|1,0,2]=4 1217 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,1,0,0,0,0|1,0,2]=4 1218 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,1,0,0,0,0|1,0,2]=4 1219 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,1,0,0,0,0|1,0,2]=4 1220 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,1,0,0,0,0|1,0,2]=4 1221 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,1,0,0,0,0|1,0,2]=4 1222 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,1,0,0,0,0|2,0,1]=4 1223 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,1,0,0,0,0|1,0,2]=4 1227 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,1,0,0,0,0|1,0,2]=4 1228 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,1,0,0,0,0|3,0,0]=4 1229 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,1,0,0,0,0|3,0,0]=4 1231 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,1,0,0,0,0|3,0,0]=4 1232 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,1,0,0,0,0|2,1,0]=4 1233 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,1,0,0,0,0|2,1,0]=4 1234 B8R0.4 CCOCCSCC#N 62a_100000210147_100011215382 [0,1,0,0,0,0|2,0,1]=4 1235 B8R0.4 CCOCCSCC#N 62a_100011215382_100011215890 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,1,0,0,0,0|2,0,0]=3 1237 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,1,0,0,0,0|2,0,0]=3 1238 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,1,0,0,0,0|2,0,1]=4 1239 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,1,0,0,0,0|2,0,1]=4 1240 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,1,0,0,0,0|2,0,1]=4 1241 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.4 CCOCSCCC#N 62a_100000739092_100011215226 [0,1,0,0,0,0|2,0,1]=4 1247 B8R0.4 CCOCSCCC#N 62a_100011215226_100000739092 [0,1,0,0,0,0|2,0,1]=4 1248 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,1,0,0,0,0|2,0,1]=4 1250 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,1,0,0,0,0|2,0,1]=4 1252 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,1,0,0,0,0|2,0,1]=4 1255 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,1,0,0,0,0|2,0,1]=4 1256 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,1,0,0,0,0|3,0,0]=4 1257 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,1,0,0,0,0|3,0,0]=4 1258 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,1,0,0,0,0|3,0,0]=4 1259 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,1,0,0,0,0|2,1,0]=4 1260 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,1,0,0,0,0|2,1,0]=4 1261 B8R0.4 CCSCCSCC#N 62a_100000757381_100011215382 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.4 CCSCCSCC#N 62a_100011215382_100000757381 [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,1,0,0,0,0|2,0,0]=3 1264 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,1,0,0,0,0|2,0,0]=3 1265 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,1,0,0,0,0|2,0,1]=4 1266 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,1,0,0,0,0|2,0,1]=4 1267 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,1,0,0,0,0|2,0,1]=4 1268 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,1,0,0,0,0|2,0,1]=4 1269 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,1,0,0,0,0|2,0,1]=4 1270 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,1,0,0,0,0|2,0,1]=4 1271 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,1,0,0,0,0|2,0,1]=4 1272 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,1,0,0,0,0|2,0,1]=4 1273 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,1,0,0,0,0|3,0,0]=4 1274 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,1,0,0,0,0|3,0,0]=4 1275 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,1,0,0,0,0|2,1,0]=4 1276 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,1,0,0,0,0|3,0,0]=4 1277 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,1,0,0,0,0|2,1,0]=4 1278 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,1,0,0,0,0|2,0,1]=4 1279 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,1,0,0,0,0|2,0,0]=3 1281 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,1,0,0,0,0|2,0,0]=3 1282 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,1,0,0,0,0|2,0,1]=4 1286 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,1,0,0,0,0|2,0,1]=4 1288 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,1,0,0,0,0|2,0,1]=4 1290 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,1,0,0,0,0|2,0,1]=4 1291 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,1,0,0,0,0|2,0,1]=4 1292 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,1,0,0,0,0|2,0,1]=4 1298 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,1,0,0,0,0|2,0,1]=4 1301 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,1,0,0,0,0|2,0,1]=4 1304 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,1,0,0,0,0|2,0,1]=4 1305 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,1,0,0,0,0|3,0,0]=4 1306 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,1,0,0,0,0|3,0,0]=4 1307 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,1,0,0,0,0|3,0,0]=4 1308 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,1,0,0,0,0|2,1,0]=4 1309 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,1,0,0,0,0|2,1,0]=4 1310 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,1,0,0,0,0|2,0,1]=4 1313 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,1,0,0,0,0|2,0,1]=4 1314 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,1,0,0,0,0|2,0,1]=4 1315 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,1,0,0,0,0|2,0,1]=4 1316 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,1,0,0,0,0|2,0,1]=4 1317 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,1,0,0,0,0|2,0,1]=4 1318 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,1,0,0,0,0|2,0,1]=4 1319 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,1,0,0,0,0|2,0,1]=4 1321 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,1,0,0,0,0|2,0,1]=4 1322 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,1,0,0,0,0|2,0,1]=4 1323 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,1,0,0,0,0|2,0,1]=4 1324 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,1,0,0,0,0|2,0,1]=4 1325 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,1,0,0,0,0|2,0,1]=4 1326 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [0,1,0,0,0,0|2,0,1]=4 1327 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [0,1,0,0,0,0|2,0,1]=4 1328 B8R0.4 N#CCCSCCCF 62a_100011215226_100011934791 [0,1,0,0,0,0|2,0,1]=4 1329 B8R0.4 N#CCCSCCCF 62a_100011934791_100011215226 [0,1,0,0,0,0|2,0,1]=4 1330 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,1,0,0,0,0|2,0,1]=4 1331 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,1,0,0,0,0|2,0,1]=4 1332 B8R0.4 N#CCSCCCCF 62a_100000729493_100011215382 [0,1,0,0,0,0|2,0,1]=4 1333 B8R0.4 N#CCSCCCCF 62a_100011215382_100000729493 [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,1,0,0,0,0|2,1,0]=4 1337 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,1,0,0,0,0|2,0,1]=4 1338 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,1,0,0,0,0|2,0,1]=4 1339 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,1,0,0,0,0|2,0,1]=4 1340 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,1,0,0,0,0|2,0,1]=4 1341 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,1,0,0,0,0|2,0,1]=4 1342 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,1,0,0,0,0|2,0,1]=4 1343 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,1,0,0,0,0|3,0,0]=4 1344 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,1,0,0,0,0|3,0,0]=4 1345 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,1,0,0,0,0|2,1,0]=4 1346 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,1,0,0,0,0|2,1,0]=4 1347 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,1,0,0,0,0|2,1,0]=4 1348 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,1,0,0,0,0|2,1,0]=4 1349 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,1,0,0,0,0|2,1,0]=4 1350 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,1,0,0,0,0|2,1,0]=4 1351 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,1,0,0,0,0|2,0,0]=3 1352 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,1,0,0,0,0|2,0,0]=3 1353 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,1,0,0,0,0|2,0,0]=3 1354 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,1,0,0,0,0|2,0,0]=3 1355 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,1,0,0,0,0|2,0,1]=4 1357 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,1,0,0,0,0|2,0,1]=4 1358 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,1,0,0,0,0|2,0,1]=4 1359 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,1,0,0,0,0|2,0,1]=4 1360 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,1,0,0,0,0|2,0,1]=4 1361 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,1,0,0,0,0|2,0,1]=4 1362 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,1,0,0,0,0|2,0,1]=4 1363 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,1,0,0,0,0|2,0,1]=4 1364 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,1,0,0,0,0|3,0,0]=4 1365 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,1,0,0,0,0|3,0,0]=4 1366 B8R0.6 C#CC(C)SCCC=C 62a_200000035995_100000754431 [0,1,0,0,0,0|1,0,2]=4 1367 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,1,0,0,0,0|1,0,2]=4 1368 B8R0.6 C#CCCSC(C)C=C 62a_100011215867_100000688953 [0,1,0,0,0,0|1,0,2]=4 1369 B8R0.6 C#CCCSC(C)CC 62a_100000688953_100000758301 [0,1,0,0,0,0|1,0,2]=4 1370 B8R0.6 C#CCCSC(C)CC 62a_100000758301_100000688953 [0,1,0,0,0,0|1,0,2]=4 1371 B8R0.6 C#CCSCC(C)CC 62a_100000038162_100000748023 [0,1,0,0,0,0|1,0,2]=4 1372 B8R0.6 C#CCSCC(O)C=C 62a_100000038162_100000730141 [0,1,0,0,0,0|1,0,2]=4 1373 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,1,0,0,0,0|1,0,2]=4 1374 B8R0.6 C#CCSC[C@@H](C)CC 62a_100000038162_100009816398 [0,1,0,0,0,0|1,0,2]=4 1375 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,1,0,0,0,0|1,0,2]=4 1376 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,1,0,0,0,0|1,0,2]=4 1377 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,0,0,0,0|2,0,1]=4 1381 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,1,0,0,0,0|2,0,1]=4 1382 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,1,0,0,0,0|1,1,0]=3 1383 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,1,0,0,0,0|1,1,0]=3 1384 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [0,1,0,0,0,0|2,1,0]=4 1385 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [0,1,0,0,0,0|2,1,0]=4 1386 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,1,0,0,0,0|2,1,0]=4 1387 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,1,0,0,0,0|2,1,0]=4 1388 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [0,1,0,0,0,0|2,1,0]=4 1389 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,1,0,0,0,0|1,1,0]=3 1390 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [0,1,0,0,0,0|2,1,0]=4 1391 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,1,0,0,0,0|2,1,0]=4 1392 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [0,1,0,0,0,0|2,1,0]=4 1393 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [0,1,0,0,0,0|2,1,0]=4 1394 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [0,1,0,0,0,0|1,0,2]=4 1395 B8R0.6 C=CC(C)SCC#CC 62a_100011215867_100000748600 [0,1,0,0,0,0|1,0,2]=4 1396 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [0,1,0,0,0,0|1,0,2]=4 1397 B8R0.6 C=CC(C)SCCC#N 62a_100011215867_100011215226 [0,1,0,0,0,0|2,0,1]=4 1398 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,1,0,0,0,0|1,0,0]=2 1399 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [0,1,0,0,0,0|2,0,0]=3 1400 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [0,1,0,0,0,0|2,0,0]=3 1401 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [0,1,0,0,0,0|2,0,0]=3 1402 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [0,1,0,0,0,0|2,0,0]=3 1403 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [0,1,0,0,0,0|2,0,0]=3 1404 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,1,0,0,0,0|3,0,0]=4 1405 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,1,0,0,0,0|3,0,0]=4 1406 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,1,0,0,0,0|3,0,0]=4 1407 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,1,0,0,0,0|2,1,0]=4 1408 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,1,0,0,0,0|1,1,0]=3 1409 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,1,0,0,0,0|2,1,0]=4 1410 B8R0.6 C=CC(O)CSCC#N 62a_100000730141_100011215382 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.6 C=CC(O)CSCC#N 62a_100011215382_100000730141 [0,1,0,0,0,0|2,0,1]=4 1412 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,1,0,0,0,0|2,0,1]=4 1413 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,1,0,0,0,0|2,0,1]=4 1414 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,1,0,0,0,0|1,0,0]=2 1415 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,1,0,0,0,0|1,0,0]=2 1416 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,1,0,0,0,0|2,0,0]=3 1417 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,1,0,0,0,0|2,0,0]=3 1418 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,1,0,0,0,0|2,0,0]=3 1419 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,1,0,0,0,0|2,0,0]=3 1420 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,1,0,0,0,0|2,0,0]=3 1421 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,1,0,0,0,0|2,0,0]=3 1422 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,1,0,0,0,0|2,0,0]=3 1423 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,1,0,0,0,0|2,0,0]=3 1424 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|2,0,1]=4 1425 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|2,0,1]=4 1426 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,1,0,0,0,0|3,0,0]=4 1427 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,1,0,0,0,0|3,0,0]=4 1428 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1430 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1431 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1432 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,1,0,0,0,0|2,0,0]=3 1433 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,1,0,0,0,0|2,0,0]=3 1434 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,1,0,0,0,0|3,0,0]=4 1435 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,1,0,0,0,0|3,0,0]=4 1436 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,1,0,0,0,0|1,1,0]=3 1437 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,1,0,0,0,0|1,1,0]=3 1438 B8R0.6 C=CCCOC(C)CF 34a_100016041109_100000754431 [0,1,0,0,0,0|2,1,0]=4 1439 B8R0.6 C=CCCOC(C)CF 7a_100016041109_100000754431 [0,1,0,0,0,0|2,1,0]=4 1440 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [0,1,0,0,0,0|2,1,0]=4 1441 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,1,0,0,0,0|2,1,0]=4 1442 B8R0.6 C=CCCSC(C)C#N 62a_100000703298_100000754431 [0,1,0,0,0,0|2,0,1]=4 1443 B8R0.6 C=CCCSC(C)C#N 62a_100000754431_100000703298 [0,1,0,0,0,0|2,0,1]=4 1444 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [0,1,0,0,0,0|1,0,2]=4 1445 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,0,0,0,0|1,0,0]=2 1446 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,0,0,0,0|1,0,0]=2 1447 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,1,0,0,0,0|2,0,0]=3 1449 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,1,0,0,0,0|2,0,0]=3 1450 B8R0.6 C=CCCSC(F)C#N 62a_100000754431_200000117898 [0,1,0,0,0,0|2,0,1]=4 1451 B8R0.6 C=CCCSC(F)C#N 62a_200000117898_100000754431 [0,1,0,0,0,0|2,0,1]=4 1452 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,0,0,0,0|2,0,0]=3 1454 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,1,0,0,0,0|2,0,0]=3 1455 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,1,0,0,0,0|2,0,0]=3 1456 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,1,0,0,0,0|2,0,0]=3 1457 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,1,0,0,0,0|3,0,0]=4 1458 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,1,0,0,0,0|2,0,0]=3 1459 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,1,0,0,0,0|2,0,0]=3 1460 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,1,0,0,0,0|3,0,0]=4 1461 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,1,0,0,0,0|2,0,0]=3 1462 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,1,0,0,0,0|3,0,0]=4 1463 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [0,1,0,0,0,0|3,0,0]=4 1464 B8R0.6 C=CCNC[C@@H](F)CO 34a_100015665980_100015514636 [0,1,0,0,0,0|3,0,0]=4 1465 B8R0.6 C=CCNC[C@@H](O)CF 2230a_100020586998_100015614560 [0,1,0,0,0,0|3,0,0]=4 1466 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,1,0,0,0,0|3,0,0]=4 1467 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,1,0,0,0,0|3,0,0]=4 1468 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,1,0,0,0,0|2,0,1]=4 1469 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,0,0,0,0|1,1,1]=4 1470 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,1,0,0,0,0|1,1,0]=3 1471 B8R0.6 C=CCOCC(C)CN 34a_100000744482_100015514636 [0,1,0,0,0,0|2,1,0]=4 1472 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [0,1,0,0,0,0|2,1,0]=4 1473 B8R0.6 C=CCOCC(Cl)CCl 34a_100000033668_100015514636 [0,1,0,0,0,0|2,1,0]=4 1474 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,1,0,0,0,0|1,1,0]=3 1475 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,1,0,0,0,0|2,1,0]=4 1476 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,1,0,0,0,0|1,1,0]=3 1477 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,1,0,0,0,0|1,1,0]=3 1478 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,1,0,0,0,0|2,1,0]=4 1479 B8R0.6 C=CCOC[C@@H](O)CF 34a_200000210373_100015614560 [0,1,0,0,0,0|2,1,0]=4 1480 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,1,0,0,0,0|2,1,0]=4 1481 B8R0.6 C=CCOC[C@H](F)CN 34a_100015665980_100015514636 [0,1,0,0,0,0|2,1,0]=4 1482 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,1,0,0,0,0|1,0,1]=3 1483 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,1,0,0,0,0|1,0,1]=3 1484 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,1,0,0,0,0|1,0,1]=3 1485 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [0,1,0,0,0,0|2,0,1]=4 1486 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,1,0,0,0,0|2,0,1]=4 1487 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,1,0,0,0,0|2,0,1]=4 1488 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,1,0,0,0,0|2,0,1]=4 1489 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,1,0,0,0,0|2,0,1]=4 1490 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,1,0,0,0,0|2,0,1]=4 1491 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,1,0,0,0,0|2,0,1]=4 1492 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,1,0,0,0,0|2,0,1]=4 1493 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,1,0,0,0,0|2,0,1]=4 1494 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,0,0,0,0|1,0,0]=2 1495 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,0,0,0,0|1,0,0]=2 1496 B8R0.6 C=CCSCC(O)C=C 62a_100000210623_100000730141 [0,1,0,0,0,0|1,0,2]=4 1497 B8R0.6 C=CCSCC(O)C=C 62a_100000730141_100000210623 [0,1,0,0,0,0|1,0,2]=4 1498 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,0,0,0,0|1,0,0]=2 1499 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,0,0,0,0|1,0,0]=2 1500 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,1,0,0,0,0|2,0,0]=3 1501 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,1,0,0,0,0|2,0,0]=3 1502 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,0,0,0,0|1,0,0]=2 1503 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,0,0,0,0|1,0,0]=2 1504 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,0,0,0,0|2,0,0]=3 1505 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,0,0,0,0|2,0,0]=3 1506 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [0,1,0,0,0,0|2,0,0]=3 1507 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [0,1,0,0,0,0|2,0,0]=3 1508 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,1,0,0,0,0|2,0,0]=3 1509 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,1,0,0,0,0|2,0,0]=3 1510 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,1,0,0,0,0|1,1,0]=3 1511 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [0,1,0,0,0,0|2,1,0]=4 1512 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [0,1,0,0,0,0|2,1,0]=4 1513 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [0,1,0,0,0,0|2,1,0]=4 1514 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,1,0,0,0,0|1,0,2]=4 1515 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,1,0,0,0,0|1,0,2]=4 1516 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,0,0,0,0|2,0,1]=4 1517 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,0,0,0,0|2,0,1]=4 1518 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,0,0,0,0|3,0,0]=4 1519 B8R0.6 CCC(C)CSCC#N 62a_100000748023_100011215382 [0,1,0,0,0,0|2,0,1]=4 1520 B8R0.6 CCC(C)CSCC#N 62a_100011215382_100000748023 [0,1,0,0,0,0|2,0,1]=4 1521 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,0,0,0,0|2,0,0]=3 1522 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,0,0,0,0|2,0,0]=3 1523 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,1,0,0,0,0|2,0,1]=4 1524 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,1,0,0,0,0|2,0,1]=4 1525 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,0,0,0,0|2,0,1]=4 1526 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,0,0,0,0|2,0,1]=4 1527 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,1,0,0,0,0|2,0,1]=4 1528 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,1,0,0,0,0|2,0,1]=4 1529 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,1,0,0,0,0|2,0,1]=4 1530 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,1,0,0,0,0|2,0,1]=4 1531 B8R0.6 CCC(C)SCCC#N 62a_100000758301_100011215226 [0,1,0,0,0,0|2,0,1]=4 1532 B8R0.6 CCC(C)SCCC#N 62a_100011215226_100000758301 [0,1,0,0,0,0|2,0,1]=4 1533 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,1,0,0,0,0|2,0,1]=4 1534 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,1,0,0,0,0|2,0,1]=4 1535 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,0,0,0,0|2,0,1]=4 1537 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,1,0,0,0,0|2,0,1]=4 1538 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,1,0,0,0,0|2,0,1]=4 1539 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,1,0,0,0,0|2,0,1]=4 1540 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,1,0,0,0,0|2,0,1]=4 1541 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,0,0,0,0|3,0,0]=4 1542 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,1,0,0,0,0|2,0,1]=4 1543 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,1,0,0,0,0|2,0,1]=4 1544 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,0,0,0,0|2,0,0]=3 1545 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,0,0,0,0|2,0,0]=3 1546 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,1,0,0,0,0|2,0,1]=4 1547 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,1,0,0,0,0|2,0,1]=4 1548 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,0,0,0,0|2,0,1]=4 1549 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,0,0,0,0|2,0,1]=4 1550 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,1,0,0,0,0|2,0,1]=4 1551 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,1,0,0,0,0|2,0,1]=4 1552 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,1,0,0,0,0|2,0,1]=4 1553 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,1,0,0,0,0|2,0,1]=4 1554 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,1,0,0,0,0|2,0,1]=4 1555 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,1,0,0,0,0|2,0,1]=4 1556 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|1,0,2]=4 1557 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|1,0,2]=4 1558 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,0,0,0,0|2,0,1]=4 1559 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,1,0,0,0,0|2,0,1]=4 1560 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,1,0,0,0,0|2,0,1]=4 1561 B8R0.6 CCCCSC(F)C#N 62a_100000210211_200000117898 [0,1,0,0,0,0|2,0,1]=4 1562 B8R0.6 CCCCSC(F)C#N 62a_200000117898_100000210210 [0,1,0,0,0,0|2,0,1]=4 1563 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,0,0,0,0|2,0,1]=4 1564 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,0,0,0,0|2,0,1]=4 1565 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|1,0,2]=4 1566 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|1,0,2]=4 1567 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,1,0,0,0,0|2,0,1]=4 1568 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|1,0,2]=4 1569 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|1,0,2]=4 1570 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,0,0,0,0|2,0,1]=4 1571 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,0,0,0,0|2,0,1]=4 1572 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|1,0,2]=4 1573 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|1,0,2]=4 1574 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,0,0,0,0|2,0,1]=4 1575 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,0,0,0,0|2,0,1]=4 1576 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,0,0,0,0|2,0,1]=4 1577 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,0,0,0,0|2,0,1]=4 1578 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,0,0,0,0|2,0,1]=4 1579 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,0,0,0,0|2,0,1]=4 1580 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,0,0,0,0|2,1,0]=4 1581 B8R0.6 CC[C@H](C)CSCC#N 62a_100009816398_100011215382 [0,1,0,0,0,0|2,0,1]=4 1582 B8R0.6 CC[C@H](C)CSCC#N 62a_100011215382_100009816398 [0,1,0,0,0,0|2,0,1]=4 1583 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,0,0,0,0|2,0,0]=3 1584 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,0,0,0,0|2,0,0]=3 1585 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,1,0,0,0,0|2,0,1]=4 1586 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,1,0,0,0,0|2,0,1]=4 1587 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,0,0,0,0|2,0,1]=4 1588 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,0,0,0,0|2,0,1]=4 1589 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,1,0,0,0,0|2,0,1]=4 1590 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,1,0,0,0,0|2,0,1]=4 1591 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,1,0,0,0,0|2,0,1]=4 1592 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,1,0,0,0,0|2,0,1]=4 1593 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,0,0,0,0|3,0,0]=4 1594 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,0,0,0,0|3,0,0]=4 1595 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,0,0,0,0|3,0,0]=4 1596 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,0,0,0,0|3,0,0]=4 1597 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,0,0,0,0|3,0,0]=4 1598 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,0,0,0,0|3,0,0]=4 1599 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,0,0,0,0|3,0,0]=4 1600 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,0,0,0,0|3,0,0]=4 1601 B8R0.7 C#CCCSCC(=C)C 62a_100000688953_100000211660 [0,1,0,0,0,0|1,0,2]=4 1602 B8R0.7 C#CCCSCC(=C)C 62a_100000748629_100000688953 [0,1,0,0,0,0|1,0,2]=4 1603 B8R0.7 C#CCCSCC(=C)F 62a_100000042424_100000688953 [0,1,0,0,0,0|1,0,2]=4 1604 B8R0.7 C#CCCSCC(=C)F 62a_100000688953_100000042424 [0,1,0,0,0,0|1,0,2]=4 1605 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,1,0,0,0,0|1,0,2]=4 1606 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,1,0,0,0,0|1,0,2]=4 1607 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [0,1,0,0,0,0|1,0,2]=4 1608 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [0,1,0,0,0,0|1,0,2]=4 1609 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [0,1,0,0,0,0|1,0,2]=4 1610 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [0,1,0,0,0,0|1,0,2]=4 1611 B8R0.7 C#CCSCCC(=C)C 62a_100000038162_100000730704 [0,1,0,0,0,0|1,0,2]=4 1612 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,1,0,0,0,0|1,0,2]=4 1613 B8R0.7 C#CCSCCC(C)O 62a_100000038162_100012276601 [0,1,0,0,0,0|1,0,2]=4 1614 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,1,0,0,0,0|1,0,2]=4 1615 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,1,0,0,0,0|1,0,2]=4 1616 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,1,0,0,0,0|1,0,2]=4 1617 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,1,0,0,0,0|1,0,2]=4 1618 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,1,0,0,0,0|1,0,2]=4 1619 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,1,0,0,0,0|1,0,2]=4 1620 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,1,0,0,0,0|1,1,0]=3 1621 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [0,1,0,0,0,0|2,1,0]=4 1622 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,1,0,0,0,0|2,1,0]=4 1623 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [0,1,0,0,0,0|2,1,0]=4 1624 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [0,1,0,0,0,0|2,0,1]=4 1625 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,1,0,0,0,0|3,0,0]=4 1626 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,1,0,0,0,0|3,0,0]=4 1627 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,1,0,0,0,0|3,0,0]=4 1628 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,1,0,0,0,0|2,1,0]=4 1629 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,1,0,0,0,0|1,1,0]=3 1630 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,1,0,0,0,0|1,1,0]=3 1631 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,1,0,0,0,0|2,1,0]=4 1632 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,1,0,0,0,0|2,1,0]=4 1633 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,1,0,0,0,0|2,1,0]=4 1634 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,1,0,0,0,0|2,1,0]=4 1635 B8R0.7 C=C(C)CCSCC#N 62a_100000730704_100011215382 [0,1,0,0,0,0|2,0,1]=4 1636 B8R0.7 C=C(C)CCSCC#N 62a_100011215382_100000730704 [0,1,0,0,0,0|2,0,1]=4 1637 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,1,0,0,0,0|2,0,1]=4 1638 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,1,0,0,0,0|2,0,1]=4 1639 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,1,0,0,0,0|1,0,0]=2 1640 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,1,0,0,0,0|1,0,0]=2 1641 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,1,0,0,0,0|2,0,0]=3 1642 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,1,0,0,0,0|2,0,0]=3 1643 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,0,0,0,0|2,0,0]=3 1644 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,0,0,0,0|2,0,0]=3 1645 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,1,0,0,0,0|2,0,0]=3 1646 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,1,0,0,0,0|2,0,0]=3 1647 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,1,0,0,0,0|2,0,0]=3 1648 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,1,0,0,0,0|2,0,0]=3 1649 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,1,0,0,0,0|2,0,0]=3 1650 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,1,0,0,0,0|2,0,0]=3 1651 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,1,0,0,0,0|3,0,0]=4 1652 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,1,0,0,0,0|3,0,0]=4 1653 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,1,0,0,0,0|3,0,0]=4 1654 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,1,0,0,0,0|3,0,0]=4 1655 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,1,0,0,0,0|2,1,0]=4 1656 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,1,0,0,0,0|1,1,0]=3 1657 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,1,0,0,0,0|1,1,0]=3 1658 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,1,0,0,0,0|1,1,0]=3 1659 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,1,0,0,0,0|2,1,0]=4 1660 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,1,0,0,0,0|2,1,0]=4 1661 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,1,0,0,0,0|2,1,0]=4 1662 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,1,0,0,0,0|2,1,0]=4 1663 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,1,0,0,0,0|2,1,0]=4 1664 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,1,0,0,0,0|2,1,0]=4 1665 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,1,0,0,0,0|2,1,0]=4 1666 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,1,0,0,0,0|2,1,0]=4 1667 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,1,0,0,0,0|2,1,0]=4 1668 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,1,0,0,0,0|2,1,0]=4 1669 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [0,1,0,0,0,0|1,0,2]=4 1670 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [0,1,0,0,0,0|1,0,2]=4 1671 B8R0.7 C=C(C)CSCC#CC 62a_100000748600_100000211660 [0,1,0,0,0,0|1,0,2]=4 1672 B8R0.7 C=C(C)CSCC#CC 62a_100000748629_100000748600 [0,1,0,0,0,0|1,0,2]=4 1673 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [0,1,0,0,0,0|1,0,2]=4 1674 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [0,1,0,0,0,0|1,0,2]=4 1675 B8R0.7 C=C(C)CSCCC#N 62a_100000748629_100011215226 [0,1,0,0,0,0|2,0,1]=4 1676 B8R0.7 C=C(C)CSCCC#N 62a_100011215226_100000211660 [0,1,0,0,0,0|2,0,1]=4 1677 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,1,0,0,0,0|1,0,0]=2 1678 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,1,0,0,0,0|1,0,0]=2 1679 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,1,0,0,0,0|2,0,0]=3 1680 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,1,0,0,0,0|2,0,0]=3 1681 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,0,0,0,0|2,0,0]=3 1682 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,1,0,0,0,0|2,0,0]=3 1684 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,1,0,0,0,0|2,0,0]=3 1685 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,1,0,0,0,0|2,0,0]=3 1686 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,1,0,0,0,0|2,0,0]=3 1687 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,1,0,0,0,0|2,0,0]=3 1688 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,1,0,0,0,0|2,0,0]=3 1689 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,1,0,0,0,0|2,0,0]=3 1690 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,1,0,0,0,0|2,0,0]=3 1691 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,1,0,0,0,0|3,0,0]=4 1692 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,1,0,0,0,0|3,0,0]=4 1693 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,1,0,0,0,0|3,0,0]=4 1694 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,1,0,0,0,0|3,0,0]=4 1695 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,1,0,0,0,0|2,1,0]=4 1696 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,1,0,0,0,0|1,1,0]=3 1697 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,1,0,0,0,0|1,1,0]=3 1698 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,1,0,0,0,0|1,1,0]=3 1699 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,1,0,0,0,0|2,1,0]=4 1700 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,1,0,0,0,0|2,1,0]=4 1701 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,1,0,0,0,0|2,1,0]=4 1702 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,1,0,0,0,0|2,1,0]=4 1703 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,1,0,0,0,0|2,1,0]=4 1704 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,1,0,0,0,0|2,1,0]=4 1705 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,1,0,0,0,0|2,1,0]=4 1706 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,1,0,0,0,0|2,1,0]=4 1707 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,1,0,0,0,0|2,1,0]=4 1708 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,1,0,0,0,0|2,1,0]=4 1709 B8R0.7 C=C(F)CSC/C=C/C 62a_100000042424_100102629194 [0,1,0,0,0,0|1,0,2]=4 1710 B8R0.7 C=C(F)CSC/C=C/C 62a_100102629194_100000042424 [0,1,0,0,0,0|1,0,2]=4 1711 B8R0.7 C=C(F)CSCC#CC 62a_100000042424_100000748600 [0,1,0,0,0,0|1,0,2]=4 1712 B8R0.7 C=C(F)CSCC#CC 62a_100000748600_100000042424 [0,1,0,0,0,0|1,0,2]=4 1713 B8R0.7 C=C(F)CSCC=CC 62a_100000042424_100000070051 [0,1,0,0,0,0|1,0,2]=4 1714 B8R0.7 C=C(F)CSCC=CC 62a_100000070051_100000042424 [0,1,0,0,0,0|1,0,2]=4 1715 B8R0.7 C=C(F)CSCCC#N 62a_100000042424_100011215226 [0,1,0,0,0,0|2,0,1]=4 1716 B8R0.7 C=C(F)CSCCC#N 62a_100011215226_100000042424 [0,1,0,0,0,0|2,0,1]=4 1717 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,1,0,0,0,0|1,0,0]=2 1718 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,1,0,0,0,0|1,0,0]=2 1719 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,1,0,0,0,0|2,0,0]=3 1720 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,1,0,0,0,0|2,0,0]=3 1721 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,1,0,0,0,0|2,0,0]=3 1722 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,1,0,0,0,0|2,0,0]=3 1723 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,1,0,0,0,0|2,0,0]=3 1724 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,1,0,0,0,0|2,0,0]=3 1725 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,1,0,0,0,0|2,0,0]=3 1726 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,1,0,0,0,0|2,0,0]=3 1727 B8R0.7 C=C(F)CSCOCC 62a_100000042424_100000739092 [0,1,0,0,0,0|2,0,0]=3 1728 B8R0.7 C=C(F)CSCOCC 62a_100000739092_100000042424 [0,1,0,0,0,0|2,0,0]=3 1729 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,0,0,0,0|2,0,1]=4 1730 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,0,0,0,0|2,0,1]=4 1731 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,0,0,0,0|2,0,1]=4 1732 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,1,0,0,0,0|3,0,0]=4 1733 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,1,0,0,0,0|3,0,0]=4 1734 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,1,0,0,0,0|3,0,0]=4 1735 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,1,0,0,0,0|3,0,0]=4 1736 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,1,0,0,0,0|3,0,0]=4 1737 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,1,0,0,0,0|3,0,0]=4 1738 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,1,0,0,0,0|3,0,0]=4 1739 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,1,0,0,0,0|3,0,0]=4 1740 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,1,0,0,0,0|3,0,0]=4 1741 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,1,0,0,0,0|3,0,0]=4 1742 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,1,0,0,0,0|3,0,0]=4 1743 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,1,0,0,0,0|3,0,0]=4 1744 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,1,0,0,0,0|3,0,0]=4 1745 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,1,0,0,0,0|3,0,0]=4 1746 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,1,0,0,0,0|3,0,0]=4 1747 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [0,1,0,0,0,0|2,0,1]=4 1748 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,1,0,0,0,0|2,0,0]=3 1749 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,1,0,0,0,0|2,0,0]=3 1750 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,1,0,0,0,0|2,0,0]=3 1751 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,1,0,0,0,0|2,0,0]=3 1752 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,1,0,0,0,0|2,0,0]=3 1753 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,1,0,0,0,0|2,0,0]=3 1754 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,1,0,0,0,0|2,0,0]=3 1755 B8R0.7 C=CCCNCC(F)F 2230a_100015191253_100011934356 [0,1,0,0,0,0|3,0,0]=4 1756 B8R0.7 C=CCCNCC(F)F 34a_100000765723_100000754431 [0,1,0,0,0,0|3,0,0]=4 1757 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,1,0,0,0,0|2,0,0]=3 1758 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [0,1,0,0,0,0|1,1,1]=4 1759 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [0,1,0,0,0,0|1,1,1]=4 1760 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,1,0,0,0,0|1,1,1]=4 1761 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [0,1,0,0,0,0|1,1,0]=3 1762 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,1,0,0,0,0|1,1,0]=3 1763 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,1,0,0,0,0|1,1,0]=3 1764 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [0,1,0,0,0,0|1,1,0]=3 1765 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,1,0,0,0,0|1,1,0]=3 1766 B8R0.7 C=CCCOCC(F)F 34a_100000743014_100000754431 [0,1,0,0,0,0|2,1,0]=4 1767 B8R0.7 C=CCCOCC(F)F 34a_100011205117_100011934356 [0,1,0,0,0,0|2,1,0]=4 1768 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,1,0,0,0,0|1,1,0]=3 1769 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,1,0,0,0,0|1,1,0]=3 1770 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,1,0,0,0,0|1,1,0]=3 1771 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [0,1,0,0,0,0|1,0,1]=3 1772 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [0,1,0,0,0,0|1,0,1]=3 1773 B8R0.7 C=CCCSCC(=C)F 62a_100000042424_100000754431 [0,1,0,0,0,0|1,0,2]=4 1774 B8R0.7 C=CCCSCC(=C)F 62a_100000754431_100000042424 [0,1,0,0,0,0|1,0,2]=4 1775 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,1,0,0,0,0|2,0,1]=4 1776 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,1,0,0,0,0|2,0,1]=4 1777 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,1,0,0,0,0|2,0,1]=4 1778 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,1,0,0,0,0|2,0,1]=4 1779 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,1,0,0,0,0|1,0,0]=2 1780 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,1,0,0,0,0|1,0,0]=2 1781 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,1,0,0,0,0|1,0,0]=2 1782 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,1,0,0,0,0|1,0,0]=2 1783 B8R0.7 C=CCCSCC(F)F 62a_100000754431_100011934356 [0,1,0,0,0,0|2,0,0]=3 1784 B8R0.7 C=CCCSCC(F)F 62a_100011934356_100000754431 [0,1,0,0,0,0|2,0,0]=3 1785 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,1,0,0,0,0|1,0,0]=2 1786 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,1,0,0,0,0|1,0,0]=2 1787 B8R0.7 C=CCCSC[N+](=O)[O-] 62a_100000754431_100000761209 [0,1,0,0,0,0|3,0,0]=4 1788 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [0,1,0,0,0,0|2,0,1]=4 1789 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,1,0,0,0,0|2,0,0]=3 1790 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,1,0,0,0,0|2,0,0]=3 1791 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,1,0,0,0,0|2,0,0]=3 1792 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [0,1,0,0,0,0|3,0,0]=4 1793 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,1,0,0,0,0|1,1,1]=4 1794 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,1,0,0,0,0|1,1,1]=4 1795 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,1,0,0,0,0|1,1,1]=4 1796 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,1,0,0,0,0|1,1,1]=4 1797 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,1,0,0,0,0|1,1,1]=4 1798 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,1,0,0,0,0|1,1,1]=4 1799 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,1,0,0,0,0|1,1,0]=3 1800 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,1,0,0,0,0|1,1,0]=3 1801 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,1,0,0,0,0|1,1,0]=3 1802 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,1,0,0,0,0|1,1,0]=3 1803 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,1,0,0,0,0|1,1,0]=3 1804 B8R0.7 C=CCOCCC(F)F 34a_100103093639_100015514636 [0,1,0,0,0,0|2,1,0]=4 1805 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,1,0,0,0,0|1,1,0]=3 1806 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [0,1,0,0,0,0|2,1,0]=4 1807 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [0,1,0,0,0,0|1,0,2]=4 1808 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [0,1,0,0,0,0|1,0,2]=4 1809 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [0,1,0,0,0,0|1,0,1]=3 1810 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [0,1,0,0,0,0|1,0,1]=3 1811 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,1,0,0,0,0|1,0,1]=3 1812 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,1,0,0,0,0|1,0,1]=3 1813 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,1,0,0,0,0|2,0,1]=4 1814 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,1,0,0,0,0|2,0,1]=4 1815 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,1,0,0,0,0|1,0,0]=2 1816 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,1,0,0,0,0|1,0,0]=2 1817 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,1,0,0,0,0|1,0,0]=2 1818 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,1,0,0,0,0|1,0,0]=2 1819 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [0,1,0,0,0,0|2,0,0]=3 1820 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,1,0,0,0,0|2,0,1]=4 1821 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,1,0,0,0,0|2,0,1]=4 1822 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [0,1,0,0,0,0|2,0,0]=3 1823 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [0,1,0,0,0,0|2,0,0]=3 1824 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,0,0,0,0|2,0,1]=4 1825 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,0,0,0,0|2,0,1]=4 1826 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,0,0,0,0|2,0,1]=4 1827 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,0,0,0,0|2,0,1]=4 1828 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,0,0,0,0|2,0,1]=4 1829 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,0,0,0,0|2,0,1]=4 1830 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,1,0,0,0,0|2,1,0]=4 1831 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,1,0,0,0,0|2,1,0]=4 1832 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,1,0,0,0,0|2,1,0]=4 1833 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,1,0,0,0,0|2,0,1]=4 1834 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,1,0,0,0,0|2,0,1]=4 1835 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,0,0,0,0|2,0,0]=3 1836 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,0,0,0,0|2,0,0]=3 1837 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,0,0,0,0|2,0,1]=4 1838 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,0,0,0,0|2,0,1]=4 1839 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|2,0,1]=4 1840 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|2,0,1]=4 1841 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,1,0,0,0,0|2,0,1]=4 1842 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,1,0,0,0,0|2,0,1]=4 1843 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|2,0,1]=4 1844 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|2,0,1]=4 1845 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|2,0,1]=4 1846 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|2,0,1]=4 1847 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,1,0,0,0,0|2,0,1]=4 1848 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,1,0,0,0,0|2,0,1]=4 1849 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,1,0,0,0,0|3,0,0]=4 1850 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,1,0,0,0,0|3,0,0]=4 1851 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,1,0,0,0,0|3,0,0]=4 1852 B8R0.7 CC(O)CCSCC#N 62a_100011215382_100012276601 [0,1,0,0,0,0|2,0,1]=4 1853 B8R0.7 CC(O)CCSCC#N 62a_100012276601_100011215382 [0,1,0,0,0,0|2,0,1]=4 1854 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,0,0,0,0|2,0,0]=3 1855 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,0,0,0,0|2,0,0]=3 1856 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,1,0,0,0,0|2,0,1]=4 1857 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,1,0,0,0,0|2,0,1]=4 1858 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,0,0,0,0|2,0,1]=4 1859 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,0,0,0,0|2,0,1]=4 1860 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [0,1,0,0,0,0|2,0,1]=4 1861 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [0,1,0,0,0,0|2,0,1]=4 1862 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,1,0,0,0,0|2,0,1]=4 1863 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,1,0,0,0,0|2,0,1]=4 1864 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,0,0,0,0|2,0,1]=4 1865 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,0,0,0,0|2,0,1]=4 1866 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,1,0,0,0,0|1,0,2]=4 1867 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,1,0,0,0,0|1,0,2]=4 1868 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,1,0,0,0,0|1,0,2]=4 1869 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,1,0,0,0,0|1,0,2]=4 1870 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,1,0,0,0,0|1,0,2]=4 1871 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,1,0,0,0,0|1,0,2]=4 1872 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,0,0,0,0|2,0,1]=4 1873 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,0,0,0,0|2,0,1]=4 1874 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,0,0,0,0|2,0,1]=4 1875 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,0,0,0,0|2,0,1]=4 1876 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,0,0,0,0|2,0,1]=4 1877 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,0,0,0,0|3,0,0]=4 1878 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,0,0,0,0|3,0,0]=4 1879 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,0,0,0,0|3,0,0]=4 1880 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,0,0,0,0|3,0,0]=4 1881 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,0,0,0,0|1,1,1]=4 1882 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,0,0,0,0|1,1,1]=4 1883 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,0,0,0,0|1,1,1]=4 1884 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,0,0,0,0|2,1,0]=4 1885 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,0,0,0,0|2,1,0]=4 1886 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,0,0,0,0|1,1,1]=4 1887 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,0,0,0,0|2,1,0]=4 1888 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,0,0,0,0|1,0,1]=3 1889 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,0,0,0,0|2,0,0]=3 1890 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,0,0,0,0|2,0,0]=3 1891 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,0,0,0,0|1,0,1]=3 1892 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,0,0,0,0|2,0,0]=3 1893 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,0,0,0,0|2,0,0]=3 1894 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|1,0,2]=4 1895 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|1,0,2]=4 1896 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,0,0,0,0|1,0,2]=4 1897 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,0,0,0,0|1,0,2]=4 1898 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,1,0,0,0,0|2,0,1]=4 1899 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,1,0,0,0,0|2,0,1]=4 1900 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,0,0,0,0|1,0,2]=4 1901 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,0,0,0,0|1,0,2]=4 1902 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,1,0,0,0,0|3,0,0]=4 1903 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,0,0,0,0|2,1,0]=4 1904 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,0,0,0,0|1,1,1]=4 1905 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,0,0,0,0|1,1,1]=4 1906 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,0,0,0,0|1,1,1]=4 1907 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,0,0,0,0|2,1,0]=4 1908 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,0,0,0,0|2,1,0]=4 1909 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,0,0,0,0|2,1,0]=4 1910 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,1,0,0,0,0|1,0,2]=4 1911 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,1,0,0,0,0|1,0,2]=4 1912 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,0,0,0,0|1,0,1]=3 1913 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,0,0,0,0|1,0,1]=3 1914 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,0,0,0,0|2,0,0]=3 1915 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,0,0,0,0|2,0,0]=3 1916 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|1,0,2]=4 1917 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|1,0,2]=4 1918 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,0,0,0,0|1,0,2]=4 1919 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,0,0,0,0|1,0,2]=4 1920 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,1,0,0,0,0|2,0,1]=4 1921 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,0,0,0,0|2,0,1]=4 1922 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,0,0,0,0|2,0,1]=4 1923 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,0,0,0,0|3,0,0]=4 1924 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,0,0,0,0|3,0,0]=4 1925 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,0,0,0,0|3,0,0]=4 1926 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,0,0,0,0|3,0,0]=4 1927 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,1,0,0,0,0|3,0,0]=4 1928 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,0,0,0,0|3,0,0]=4 1929 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,0,0,0,0|3,0,0]=4 1930 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,0,0,0,0|3,0,0]=4 1931 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,0,0,0,0|3,0,0]=4 1932 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,1,0,0,0,0|2,0,1]=4 1933 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,1,0,0,0,0|2,0,1]=4 1934 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,1,0,0,0,0|2,0,1]=4 1935 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,1,0,0,0,0|2,0,1]=4 1936 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,1,0,0,0,0|2,0,1]=4 1937 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,1,0,0,0,0|2,0,1]=4 1938 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,1,0,0,0,0|2,0,1]=4 1939 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,1,0,0,0,0|2,0,1]=4 1940 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,0,0,0,0|2,0,1]=4 1941 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,0,0,0,0|2,0,1]=4 1942 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,1,0,0,0,0|3,0,0]=4 1943 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,1,0,0,0,0|3,0,0]=4 1944 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,1,0,0,0,0|2,0,1]=4 1945 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,1,0,0,0,0|2,0,1]=4 1946 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,1,0,0,0,0|2,0,1]=4 1947 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,1,0,0,0,0|2,0,1]=4 1948 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,0,0,0,0|3,0,0]=4 1949 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,0,0,0,0|3,0,0]=4 1950 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,0,0,0,0|3,0,0]=4 1951 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,0,0,0,0|3,0,0]=4 1952 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,1,0,0,0,0|2,0,1]=4 1953 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,1,0,0,0,0|2,0,1]=4 1954 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,1,0,0,0,0|2,0,1]=4 1955 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,1,0,0,0,0|2,0,1]=4 1956 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,1,0,0,0,0|2,0,1]=4 1957 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,1,0,0,0,0|2,0,1]=4 1958 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,1,0,0,0,0|2,0,1]=4 1959 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,1,0,0,0,0|2,0,1]=4 1960 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,1,0,0,0,0|3,0,0]=4 1961 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,1,0,0,0,0|3,0,0]=4 1962 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,1,0,0,0,0|2,0,1]=4 1963 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,1,0,0,0,0|2,0,1]=4 1964 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,1,0,0,0,0|2,0,1]=4 1965 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,1,0,0,0,0|2,0,1]=4 1966 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,1,0,0,0,0|2,1,0]=4 1967 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [0,1,0,0,0,0|2,0,1]=4 1968 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [0,1,0,0,0,0|2,0,1]=4 1969 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,1,0,0,0,0|2,0,1]=4 1970 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,1,0,0,0,0|2,0,1]=4 1971 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,0,0,0,0|2,0,1]=4 1972 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,0,0,0,0|2,0,1]=4 1973 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,0,0,0,0|3,0,0]=4 1974 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,0,0,0,0|3,0,0]=4 1975 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,0,0,0,0|3,0,0]=4 1976 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,0,0,0,0|3,0,0]=4 1977 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,0,0,0,0|3,0,0]=4 1978 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,0,0,0,0|3,0,0]=4 1979 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,0,0,0,0|3,0,0]=4 1980 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,0,0,0,0|3,0,0]=4 1981 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,0,0,0,0|3,0,0]=4 1982 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,0,0,0,0|3,0,0]=4 1983 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,0,0,0,0|3,0,0]=4 1984 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,0,0,0,0|3,0,0]=4 1985 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,0,0,1,0,0|3,0,0]=4 1986 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,0,0,1,0,0|3,0,0]=4 1987 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,0,0,1,0,0|2,0,1]=4 1988 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,0,0,1,0,0|3,0,0]=4 1989 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,0,0,1,0,0|2,0,1]=4 1990 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,0,0,1,0,0|3,0,0]=4 1991 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,0,0,1,0,0|3,0,0]=4 1992 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,0,0,1,0,0|3,0,0]=4 1993 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,0,0,1,0,0|2,0,1]=4 1994 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,0,0,1,0,0|3,0,0]=4 1995 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,0,0,1,0,0|3,0,0]=4 1996 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,0,0,1,0,0|2,0,0]=3 1997 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,0,0,1,0,0|2,0,0]=3 1998 B8R1.8 C=CCN1CCSC1 2230a_100011215254_100000210623 [0,0,0,1,0,0|3,0,0]=4 1999 B8R1.8 C=CCN1CCSC1 269982a_100011215254_100000210623 [0,0,0,1,0,0|3,0,0]=4 2000 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,1,0,0|2,0,1]=4 2001 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,1,0,0|2,0,1]=4 2002 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,0,0,1,0,0|2,0,1]=4 2003 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,0,0,1,0,0|2,0,1]=4 2004 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,0,0,1,0,0|2,0,1]=4 2005 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,0,0,1,0,0|2,0,1]=4 2006 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,0,0,1,0,0|3,0,0]=4 2007 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,0,0,1,0,0|3,0,0]=4 2008 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,0,0,1,0,0|2,0,1]=4 2009 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,0,0,1,0,0|2,0,1]=4 2010 B8R1.9 C=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210623 [0,0,0,1,0,0|3,0,0]=4 2011 B8R1.9 C=CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210623 [0,0,0,1,0,0|3,0,0]=4 2012 B8R1.9 C=CCN[C@@H]1C[C@H]1F 34a_100025746932_100015514636 [0,0,0,1,0,0|3,0,0]=4 2013 B8R1.10 C#CCSC1CCC1 62a_100000038162_100000749161 [0,0,0,1,0,0|1,0,2]=4 2014 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [0,0,0,1,0,0|2,0,0]=3 2015 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [0,0,0,1,0,0|2,0,0]=3 2016 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [0,0,0,1,0,0|2,0,0]=3 2017 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [0,0,0,1,0,0|2,0,0]=3 2018 B8R1.10 C=CCNC1COC1 2230a_100016991112_100000210623 [0,0,0,1,0,0|3,0,0]=4 2019 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [0,0,0,1,0,0|1,1,0]=3 2020 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [0,0,0,1,0,0|1,1,0]=3 2021 B8R1.10 C=CCOC1COC1 34a_200000210373_100009818527 [0,0,0,1,0,0|2,1,0]=4 2022 B8R1.10 C=CCOC1CSC1 7a_100000072292_100015514636 [0,0,0,1,0,0|2,1,0]=4 2023 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,0,0,1,0,0|1,0,0]=2 2024 B8R1.10 C=CCSC1COC1 62a_100000210623_100009818527 [0,0,0,1,0,0|2,0,0]=3 2025 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,0,0,1,0,0|1,0,2]=4 2026 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,0,0,1,0,0|2,0,1]=4 2027 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [0,0,0,1,0,0|2,0,1]=4 2028 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [0,0,0,1,0,0|2,0,1]=4 2029 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [0,0,0,1,0,0|2,0,1]=4 2030 B8R1.10 N#CCSC1CCC1 62a_100011215382_100000749161 [0,0,0,1,0,0|2,0,1]=4 2031 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,0,0,1,0,0|3,0,0]=4 2032 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,0,0,1,0,0|3,0,0]=4 2033 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,0,0,1,0,0|2,1,0]=4 2034 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,0,0,1,0,0|2,0,0]=3 2035 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [0,0,0,1,0,0|3,0,0]=4 2036 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,0,0,1,0,0|2,0,1]=4 2037 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,0,0,1,0,0|2,0,0]=3 2038 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,0,0,1,0,0|2,0,0]=3 2039 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,0,0,1,0,0|3,0,0]=4 2040 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,0,0,1,0,0|3,0,0]=4 2041 B8R1.36 C#CCCSC1CC1 62a_100000688953_100000211595 [0,0,0,1,0,0|1,0,2]=4 2042 B8R1.36 C#CCSCC1CC1 62a_100000038162_100000742324 [0,0,0,1,0,0|1,0,2]=4 2043 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [0,0,0,1,0,0|1,0,2]=4 2044 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [0,0,0,1,0,0|2,0,0]=3 2045 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [0,0,0,1,0,0|1,1,0]=3 2046 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [0,0,0,1,0,0|1,0,0]=2 2047 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [0,0,0,1,0,0|2,0,0]=3 2048 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [0,0,0,1,0,0|2,0,0]=3 2049 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [0,0,0,1,0,0|2,0,0]=3 2050 B8R1.36 C=CCNCC1CO1 2230a_100020586998_100011216344 [0,0,0,1,0,0|3,0,0]=4 2051 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [0,0,0,1,0,0|1,1,0]=3 2052 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [0,0,0,1,0,0|1,1,0]=3 2053 B8R1.36 C=CCOCC1CO1 34a_200000210373_102125554688 [0,0,0,1,0,0|2,1,0]=4 2054 B8R1.36 C=CCOC[C@@H]1CO1 34a_100000757423_100015514636 [0,0,0,1,0,0|2,1,0]=4 2055 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [0,0,0,1,0,0|1,0,0]=2 2056 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [0,0,0,1,0,0|1,0,0]=2 2057 B8R1.36 C=CCSCC1CO1 62a_100000210623_102125554688 [0,0,0,1,0,0|2,0,0]=3 2058 B8R1.36 C=CCSCC1CO1 62a_102125554688_100000210623 [0,0,0,1,0,0|2,0,0]=3 2059 B8R1.36 C=CCSCC1CS1 62a_100000031435_100000210623 [0,0,0,1,0,0|2,0,0]=3 2060 B8R1.36 C=CCSCC1CS1 62a_100000210623_100000031435 [0,0,0,1,0,0|2,0,0]=3 2061 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000210623_100000745022 [0,0,0,1,0,0|2,0,0]=3 2062 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000745022_100000210623 [0,0,0,1,0,0|2,0,0]=3 2063 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [0,0,0,1,0,0|1,0,2]=4 2064 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [0,0,0,1,0,0|1,0,2]=4 2065 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [0,0,0,1,0,0|1,0,2]=4 2066 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [0,0,0,1,0,0|1,0,2]=4 2067 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,0,0,1,0,0|2,0,1]=4 2068 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,0,0,1,0,0|2,0,1]=4 2069 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,0,0,1,0,0|2,0,1]=4 2070 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,0,0,1,0,0|2,0,1]=4 2071 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,0,0,1,0,0|2,0,1]=4 2072 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,0,0,1,0,0|2,0,1]=4 2073 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [0,0,0,1,0,0|2,0,1]=4 2074 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [0,0,0,1,0,0|2,0,1]=4 2075 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [0,0,0,1,0,0|2,0,1]=4 2076 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [0,0,0,1,0,0|2,0,1]=4 2077 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [0,0,0,1,0,0|2,0,1]=4 2078 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [0,0,0,1,0,0|2,0,1]=4 2079 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [0,0,0,1,0,0|2,0,1]=4 2080 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [0,0,0,1,0,0|2,0,1]=4 2081 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [0,0,0,1,0,0|2,0,1]=4 2082 B8R1.36 N#CCCSC1CC1 62a_100011215226_100000211595 [0,0,0,1,0,0|2,0,1]=4 2083 B8R1.36 N#CCSCC1CC1 62a_100000756562_100011215382 [0,0,0,1,0,0|2,0,1]=4 2084 B8R1.36 N#CCSCC1CC1 62a_100011215382_100000742324 [0,0,0,1,0,0|2,0,1]=4 2085 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,0,0,1,0,0|3,0,0]=4 2086 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,0,0,1,0,0|3,0,0]=4 2087 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,0,0,1,0,0|2,1,0]=4 2088 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,0,0,1,0,0|2,0,0]=3 2089 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,0,0,1,0,0|2,0,0]=3 2090 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,0,0,1,0,0|3,0,0]=4 2091 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,0,0,1,0,0|3,0,0]=4 2092 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,0,0,1,0,0|3,0,0]=4 2093 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,0,0,1,0,0|3,0,0]=4 2094 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,0,0,1,0,0|3,0,0]=4 2095 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,0,0,1,0,0|3,0,0]=4 2096 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,0,0,1,0,0|2,0,1]=4 2097 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [0,0,0,1,0,0|2,0,1]=4 2098 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [0,0,0,1,0,0|2,0,1]=4 2099 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [2,0,0,0,0,0|0,0,2]=4 2100 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,0]=3 2101 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,0]=3 2102 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,0]=3 2103 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,0]=3 2104 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,0]=3 2105 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|1,0,0]=3 2106 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|1,0,0]=3 2107 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|1,0,0]=3 2108 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,0]=3 2109 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,0]=3 2110 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,0]=3 2111 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,0]=3 2112 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,0]=3 2113 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,0]=3 2114 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|0,1,0]=3 2115 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|0,1,0]=3 2116 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [2,0,0,0,0,0|1,1,0]=4 2117 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|0,0,0]=2 2118 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|0,0,0]=2 2119 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [2,0,0,0,0,0|1,0,0]=3 2120 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [2,0,0,0,0,0|1,0,0]=3 2121 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 2122 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 2123 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 2124 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 2125 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 2126 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 2127 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 2128 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 2129 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,1]=4 2130 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 2131 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 2132 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 2133 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,0]=3 2134 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,0]=3 2135 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,0]=3 2136 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,0]=3 2137 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 2138 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,1,1]=4 2139 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,1,1]=4 2140 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,1,0]=4 2141 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,0,1]=3 2142 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,0,1]=3 2143 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|1,0,0]=3 2144 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|1,0,0]=3 2145 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 2146 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 2147 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,1,0]=4 2148 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|2,0,0]=4 2149 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|2,0,0]=4 2150 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|2,0,0]=4 2151 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|2,0,0]=4 2152 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|2,0,0]=4 2153 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [2,0,0,0,0,0|1,0,1]=4 2154 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [2,0,0,0,0,0|1,0,1]=4 2155 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 2156 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 2157 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|1,0,1]=4 2158 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|1,0,1]=4 2159 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 2160 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 2161 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,0,1]=4 2162 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,0,1]=4 2163 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|1,0,1]=4 2164 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|1,0,1]=4 2165 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|2,0,0]=4 2166 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|2,0,0]=4 2167 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|2,0,0]=4 2168 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|2,0,0]=4 2169 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 2170 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|2,0,0]=4 2171 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|2,0,0]=4 2172 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|2,0,0]=4 2173 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 2174 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|2,0,0]=4 2175 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|2,0,0]=4 2176 B5R0.2 COCSCF 62a_100000766300_100015361967 [2,0,0,0,0,0|2,0,0]=4 2177 B5R0.2 COCSCF 62a_100015361967_100000766300 [2,0,0,0,0,0|2,0,0]=4 2178 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 2179 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 2180 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|2,0,0]=4 2181 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|2,0,0]=4 2182 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|2,0,0]=4 2183 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 2184 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 2185 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|2,0,0]=4 2186 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|2,0,0]=4 2187 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|2,0,0]=4 2188 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|2,0,0]=4 2189 B5R0.2 CSCSCF 62a_100011218213_100015361967 [2,0,0,0,0,0|2,0,0]=4 2190 B5R0.2 CSCSCF 62a_100015361967_100011218213 [2,0,0,0,0,0|2,0,0]=4 2191 B5R0.2 FCCSCF 62a_100011217306_100015361967 [2,0,0,0,0,0|2,0,0]=4 2192 B5R0.2 FCCSCF 62a_100015361967_100011217306 [2,0,0,0,0,0|2,0,0]=4 2193 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 2194 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 2195 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 2196 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|2,0,0]=4 2197 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 2198 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 2199 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|2,0,0]=4 2200 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|2,0,0]=4 2201 B7R0.3 C#CC(C)SCC=C 62a_200000035995_100000210623 [1,1,0,0,0,0|0,0,2]=4 2202 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [1,1,0,0,0,0|0,0,2]=4 2203 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [1,1,0,0,0,0|0,0,2]=4 2204 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,1]=4 2205 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|1,0,1]=4 2206 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|1,0,1]=4 2207 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,1,0,0,0,0|1,1,0]=4 2208 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,1,0,0,0,0|1,1,0]=4 2209 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,1,0,0,0,0|0,1,0]=3 2210 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [1,1,0,0,0,0|1,1,0]=4 2211 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,1,0,0,0,0|1,1,0]=4 2212 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [1,1,0,0,0,0|1,1,0]=4 2213 B7R0.3 C=CC(C)SCC#N 62a_100011215867_100011215382 [1,1,0,0,0,0|1,0,1]=4 2214 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,1,0,0,0,0|1,0,1]=4 2215 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|0,0,0]=2 2216 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [1,1,0,0,0,0|1,0,0]=3 2217 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,1,0,0,0,0|1,0,0]=3 2218 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [1,1,0,0,0,0|1,0,0]=3 2219 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [1,1,0,0,0,0|1,0,0]=3 2220 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,1,0,0,0,0|2,0,0]=4 2221 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,1,0,0,0,0|1,1,0]=4 2222 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,1,0,0,0,0|1,0,0]=3 2223 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,1,0,0,0,0|1,0,0]=3 2224 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [1,1,0,0,0,0|2,0,0]=4 2225 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [1,1,0,0,0,0|2,0,0]=4 2226 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|1,0,1]=4 2227 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|1,0,1]=4 2228 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|2,0,0]=4 2229 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|2,0,0]=4 2230 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|2,0,0]=4 2232 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|2,0,0]=4 2233 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 2234 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [1,1,0,0,0,0|2,0,0]=4 2235 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 2236 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [1,1,0,0,0,0|2,0,0]=4 2237 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 2238 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 2239 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 2240 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,1,0,0,0,0|1,0,0]=3 2241 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,1,0,0,0,0|1,0,0]=3 2242 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [1,1,0,0,0,0|2,0,0]=4 2243 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [1,1,0,0,0,0|2,0,0]=4 2244 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,1,0,0,0,0|0,1,0]=3 2245 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,1,0,0,0,0|0,1,0]=3 2246 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [1,1,0,0,0,0|1,1,0]=4 2247 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [1,1,0,0,0,0|1,1,0]=4 2248 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [1,1,0,0,0,0|1,1,0]=4 2249 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,1,0,0,0,0|1,1,0]=4 2250 B7R0.3 C=CCSC(C)C#N 62a_100000210623_100000703298 [1,1,0,0,0,0|1,0,1]=4 2251 B7R0.3 C=CCSC(C)C#N 62a_100000703298_100000210623 [1,1,0,0,0,0|1,0,1]=4 2252 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [1,1,0,0,0,0|0,0,2]=4 2253 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|0,0,0]=2 2254 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|0,0,0]=2 2255 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|1,0,0]=3 2256 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [1,1,0,0,0,0|1,0,0]=3 2257 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [1,1,0,0,0,0|1,0,0]=3 2258 B7R0.3 C=CCSC(F)C#N 62a_100000210623_200000117898 [1,1,0,0,0,0|1,0,1]=4 2259 B7R0.3 C=CCSC(F)C#N 62a_200000117898_100000210623 [1,1,0,0,0,0|1,0,1]=4 2260 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|1,0,0]=3 2261 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|1,0,0]=3 2262 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,1,0,0,0,0|1,1,0]=4 2263 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|2,0,0]=4 2264 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|2,0,0]=4 2265 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|2,0,0]=4 2266 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|2,0,0]=4 2267 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|1,1,0]=4 2268 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [1,1,0,0,0,0|1,0,1]=4 2269 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [1,1,0,0,0,0|1,0,1]=4 2270 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,0]=3 2271 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,0]=3 2272 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|1,0,1]=4 2273 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|1,0,1]=4 2274 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,1]=4 2275 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,1]=4 2276 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|1,0,1]=4 2277 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|1,0,1]=4 2278 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|1,0,1]=4 2279 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|1,0,1]=4 2280 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [1,1,0,0,0,0|2,0,0]=4 2282 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [1,1,0,0,0,0|1,0,1]=4 2283 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [1,1,0,0,0,0|1,0,1]=4 2284 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|0,0,2]=4 2285 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|0,0,2]=4 2286 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 2287 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,1,0,0,0,0|1,0,1]=4 2288 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,1,0,0,0,0|1,0,1]=4 2289 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [1,1,0,0,0,0|1,0,1]=4 2290 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 2293 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,1]=4 2294 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,1]=4 2295 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|1,0,1]=4 2296 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|1,0,1]=4 2297 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,1]=4 2298 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,1]=4 2299 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|2,0,0]=4 2300 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|2,0,0]=4 2301 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|2,0,0]=4 2302 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|2,0,0]=4 2303 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|2,0,0]=4 2304 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|2,0,0]=4 2305 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [1,1,0,0,0,0|0,0,2]=4 2306 B7R0.4 C#CCSCC(=C)F 62a_100000038162_100000042424 [1,1,0,0,0,0|0,0,2]=4 2307 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [1,1,0,0,0,0|0,0,2]=4 2308 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [1,1,0,0,0,0|0,0,2]=4 2309 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [1,1,0,0,0,0|0,0,2]=4 2310 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,1,0,0,0,0|1,1,0]=4 2311 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|2,0,0]=4 2312 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,1,0]=4 2313 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,1,0]=4 2314 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,0]=3 2315 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,0]=3 2316 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,1,0,0,0,0|2,0,0]=4 2317 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,1,0,0,0,0|2,0,0]=4 2318 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [1,1,0,0,0,0|2,0,0]=4 2319 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,1,0,0,0,0|2,0,0]=4 2320 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,1,0,0,0,0|2,0,0]=4 2321 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,1,0,0,0,0|1,1,0]=4 2322 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|0,1,0]=3 2323 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|0,1,0]=3 2324 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,1,0,0,0,0|1,1,0]=4 2325 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,1,0,0,0,0|1,1,0]=4 2326 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|1,1,0]=4 2327 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,1,0,0,0,0|1,1,0]=4 2328 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [1,1,0,0,0,0|1,0,1]=4 2329 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [1,1,0,0,0,0|1,0,1]=4 2330 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,1,0,0,0,0|1,0,1]=4 2331 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,1,0,0,0,0|1,0,1]=4 2332 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|0,0,0]=2 2333 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|0,0,0]=2 2334 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,1,0,0,0,0|1,0,0]=3 2335 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,1,0,0,0,0|1,0,0]=3 2336 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|1,0,0]=3 2337 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|1,0,0]=3 2338 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,1,0,0,0,0|1,0,0]=3 2339 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,1,0,0,0,0|1,0,0]=3 2340 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,1,0,0,0,0|1,0,0]=3 2341 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,1,0,0,0,0|1,0,0]=3 2342 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [1,1,0,0,0,0|2,0,0]=4 2343 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [1,1,0,0,0,0|2,0,0]=4 2344 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [1,1,0,0,0,0|2,0,0]=4 2345 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [1,1,0,0,0,0|1,1,0]=4 2346 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|0,1,0]=3 2347 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|0,1,0]=3 2348 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [1,1,0,0,0,0|1,1,0]=4 2349 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [1,1,0,0,0,0|1,1,0]=4 2350 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [1,1,0,0,0,0|1,1,0]=4 2351 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [1,1,0,0,0,0|1,1,0]=4 2352 B7R0.4 C=C(F)CSCC#N 62a_100000042424_100011215382 [1,1,0,0,0,0|1,0,1]=4 2353 B7R0.4 C=C(F)CSCC#N 62a_100011215382_100000042424 [1,1,0,0,0,0|1,0,1]=4 2354 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [1,1,0,0,0,0|1,0,1]=4 2355 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [1,1,0,0,0,0|1,0,1]=4 2356 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|0,0,0]=2 2357 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|0,0,0]=2 2358 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [1,1,0,0,0,0|1,0,0]=3 2359 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [1,1,0,0,0,0|1,0,0]=3 2360 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [1,1,0,0,0,0|1,0,0]=3 2361 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [1,1,0,0,0,0|1,0,0]=3 2362 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [1,1,0,0,0,0|1,0,0]=3 2363 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [1,1,0,0,0,0|1,0,0]=3 2364 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [1,1,0,0,0,0|1,0,0]=3 2365 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [1,1,0,0,0,0|1,0,0]=3 2366 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 2367 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 2368 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 2369 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [1,1,0,0,0,0|2,0,0]=4 2370 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [1,1,0,0,0,0|2,0,0]=4 2371 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [1,1,0,0,0,0|2,0,0]=4 2372 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [1,1,0,0,0,0|2,0,0]=4 2373 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [1,1,0,0,0,0|2,0,0]=4 2374 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [1,1,0,0,0,0|1,1,0]=4 2375 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [1,1,0,0,0,0|1,1,0]=4 2376 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,1,0,0,0,0|1,0,0]=3 2377 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,1,0,0,0,0|1,0,0]=3 2378 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [1,1,0,0,0,0|1,0,1]=4 2379 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [1,1,0,0,0,0|1,0,0]=3 2380 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [1,1,0,0,0,0|1,0,0]=3 2381 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [1,1,0,0,0,0|1,0,0]=3 2382 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [1,1,0,0,0,0|1,0,0]=3 2383 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,1,0,0,0,0|1,0,0]=3 2384 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,1,0,0,0,0|1,0,0]=3 2385 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,1,0,0,0,0|1,0,0]=3 2386 B7R0.4 C=CCNCC(F)F 2230a_100020586998_100011934356 [1,1,0,0,0,0|2,0,0]=4 2387 B7R0.4 C=CCNCC(F)F 34a_100000765723_100015514636 [1,1,0,0,0,0|2,0,0]=4 2388 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,1,0,0,0,0|1,0,0]=3 2389 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [1,1,0,0,0,0|0,1,1]=4 2390 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [1,1,0,0,0,0|0,1,1]=4 2391 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|0,1,1]=4 2392 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [1,1,0,0,0,0|0,1,0]=3 2393 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [1,1,0,0,0,0|0,1,0]=3 2394 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [1,1,0,0,0,0|0,1,0]=3 2395 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [1,1,0,0,0,0|0,1,0]=3 2396 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,1,0,0,0,0|0,1,0]=3 2397 B7R0.4 C=CCOCC(F)F 34a_100000743014_100015514636 [1,1,0,0,0,0|1,1,0]=4 2398 B7R0.4 C=CCOCC(F)F 34a_200000210373_100011934356 [1,1,0,0,0,0|1,1,0]=4 2399 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [1,1,0,0,0,0|0,1,0]=3 2400 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [1,1,0,0,0,0|0,1,0]=3 2401 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,1,0,0,0,0|0,1,0]=3 2402 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [1,1,0,0,0,0|0,0,1]=3 2403 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [1,1,0,0,0,0|0,0,1]=3 2404 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [1,1,0,0,0,0|0,0,2]=4 2405 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [1,1,0,0,0,0|0,0,2]=4 2406 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,1,0,0,0,0|0,0,1]=3 2407 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,1,0,0,0,0|1,0,1]=4 2408 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,1,0,0,0,0|1,0,1]=4 2409 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,1,0,0,0,0|0,0,1]=3 2410 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [1,1,0,0,0,0|1,0,1]=4 2411 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [1,1,0,0,0,0|1,0,1]=4 2412 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,1,0,0,0,0|0,0,0]=2 2413 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,1,0,0,0,0|0,0,0]=2 2414 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,1,0,0,0,0|0,0,0]=2 2415 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,1,0,0,0,0|0,0,0]=2 2416 B7R0.4 C=CCSCC(F)F 62a_100000210623_100011934356 [1,1,0,0,0,0|1,0,0]=3 2417 B7R0.4 C=CCSCC(F)F 62a_100011934356_100000210623 [1,1,0,0,0,0|1,0,0]=3 2418 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,1,0,0,0,0|0,0,0]=2 2419 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,1,0,0,0,0|0,0,0]=2 2420 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [1,1,0,0,0,0|2,0,0]=4 2421 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [1,1,0,0,0,0|1,1,0]=4 2422 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,1,0,0,0,0|2,0,0]=4 2423 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,1,0,0,0,0|2,0,0]=4 2424 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,1,0,0,0,0|2,0,0]=4 2425 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,1,0,0,0,0|2,0,0]=4 2426 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,1,0,0,0,0|1,1,0]=4 2427 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [1,1,0,0,0,0|1,0,1]=4 2428 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [1,1,0,0,0,0|1,0,1]=4 2429 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|1,0,0]=3 2430 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|1,0,0]=3 2431 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,1,0,0,0,0|1,0,1]=4 2432 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,1,0,0,0,0|1,0,1]=4 2433 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|1,0,1]=4 2434 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|1,0,1]=4 2435 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [1,1,0,0,0,0|1,1,0]=4 2436 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,1,0,0,0,0|2,0,0]=4 2437 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,1,0,0,0,0|2,0,0]=4 2438 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,1,0,0,0,0|2,0,0]=4 2439 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|2,0,0]=4 2440 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [1,1,0,0,0,0|1,0,1]=4 2441 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [1,1,0,0,0,0|1,0,1]=4 2442 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,1,0,0,0,0|1,0,0]=3 2443 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,1,0,0,0,0|1,0,0]=3 2444 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,1,0,0,0,0|1,0,1]=4 2445 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,1,0,0,0,0|1,0,1]=4 2446 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|1,0,1]=4 2447 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|1,0,1]=4 2448 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,1]=4 2449 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,1]=4 2450 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,1]=4 2451 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2452 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,1]=4 2453 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|2,0,0]=4 2454 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,1,1]=4 2456 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,1,1]=4 2457 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,1,0]=4 2458 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,1,1]=4 2459 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,1,0]=4 2460 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,0,1]=3 2461 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,0]=3 2462 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,0]=3 2463 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,0,1]=3 2464 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,0,0]=3 2465 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,0,0]=3 2466 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|0,0,2]=4 2467 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|0,0,2]=4 2468 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|0,0,2]=4 2469 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|0,0,2]=4 2470 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [1,1,0,0,0,0|1,0,1]=4 2471 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [1,1,0,0,0,0|1,0,1]=4 2472 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|0,0,2]=4 2473 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|0,0,2]=4 2474 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|2,0,0]=4 2475 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,1]=4 2476 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,1]=4 2477 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,1]=4 2478 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,1]=4 2479 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|2,0,0]=4 2480 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|2,0,0]=4 2481 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,1]=4 2482 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,1]=4 2483 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,1]=4 2484 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,1]=4 2485 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,1]=4 2486 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 2487 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 2488 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|2,0,0]=4 2489 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|2,0,0]=4 2490 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,1,0,0,0,0|1,0,1]=4 2491 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,1,0,0,0,0|1,0,1]=4 2494 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,1,0,0,0,0|1,0,1]=4 2495 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,1,0,0,0,0|1,0,1]=4 2496 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 2497 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 2498 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|2,0,0]=4 2499 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|2,0,0]=4 2500 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|1,0,1]=4 2501 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|1,0,1]=4 2502 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,1,0,0,0,0|1,0,1]=4 2503 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,1,0,0,0,0|1,0,1]=4 2504 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,1,0,0,0,0|1,0,1]=4 2505 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,1,0,0,0,0|1,0,1]=4 2506 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [1,1,0,0,0,0|1,1,0]=4 2507 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [1,1,0,0,0,0|1,1,0]=4 2508 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [1,1,0,0,0,0|1,0,1]=4 2509 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [1,1,0,0,0,0|1,0,1]=4 2510 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,1,0,0,0,0|1,0,0]=3 2511 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,1,0,0,0,0|1,0,0]=3 2512 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,1,0,0,0,0|1,0,1]=4 2513 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,1,0,0,0,0|1,0,1]=4 2514 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2515 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|1,0,1]=4 2516 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 2517 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 2518 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|2,0,0]=4 2519 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|2,0,0]=4 2520 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|2,0,0]=4 2521 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|2,0,0]=4 2522 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|2,0,0]=4 2523 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|2,0,0]=4 2524 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [1,1,0,0,0,0|2,0,0]=4 2525 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [1,1,0,0,0,0|2,0,0]=4 2526 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|1,0,0]=3 2527 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|1,0,0]=3 2528 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,1,0,0,0,0|2,0,0]=4 2529 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,1,0,0,0,0|2,0,0]=4 2530 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,1,0,0,0,0|2,0,0]=4 2531 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,1,0,0,0,0|2,0,0]=4 2532 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,1,0,0,0,0|2,0,0]=4 2533 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|2,0,0]=4 2534 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|2,0,0]=4 2535 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|2,0,0]=4 2536 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|2,0,0]=4 2537 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|2,0,0]=4 2538 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|2,0,0]=4 2539 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|2,0,0]=4 2540 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,1,0,0,0,0|1,0,0]=3 2541 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,1,0,0,0,0|1,0,0]=3 2542 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,1,0,0,0,0|1,0,0]=3 2543 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,1,0,0,0,0|1,0,0]=3 2544 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [1,1,0,0,0,0|2,0,0]=4 2545 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [1,1,0,0,0,0|2,0,0]=4 2546 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 2547 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 2548 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 2549 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 2550 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 2551 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [1,1,0,0,0,0|2,0,0]=4 2552 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [1,1,0,0,0,0|2,0,0]=4 2554 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,1,0,0,0,0|1,1,0]=4 2555 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,1,0,0,0,0|1,1,0]=4 2556 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [1,1,0,0,0,0|2,0,0]=4 2557 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [1,1,0,0,0,0|2,0,0]=4 2558 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,1]=4 2559 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,1]=4 2560 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [1,1,0,0,0,0|2,0,0]=4 2561 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [1,1,0,0,0,0|2,0,0]=4 2562 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2563 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2564 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|2,0,0]=4 2565 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,2,0,0,0,0|2,0,0]=4 2566 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,2,0,0,0,0|2,0,0]=4 2567 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,2,0,0,0,0|2,0,0]=4 2568 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.4 C=C(F)CN(C)CCCC 2230a_100000207549_100009893438 [0,2,0,0,0,0|2,0,0]=4 2571 B9R0.4 C=C(F)CN(C)CCCC 269982a_100000207549_100009893438 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,2,0,0,0,0|2,0,0]=4 2573 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,2,0,0,0,0|2,0,0]=4 2574 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,2,0,0,0,0|2,0,0]=4 2576 B9R0.4 C=CCCN(C)CC(C)C 2230a_100000747067_100000754431 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.4 C=CCCN(C)CC(C)C 2230a_100020639649_100000210760 [0,2,0,0,0,0|2,0,0]=4 2578 B9R0.4 C=CCCN(C)CC(C)C 269982a_100000747067_100000754431 [0,2,0,0,0,0|2,0,0]=4 2579 B9R0.4 C=CCCN(C)CC(C)C 269982a_100020639649_100000210624 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.4 C=CCCN(C)CC(C)C 270004a_100020639649_100000210432 [0,2,0,0,0,0|2,0,0]=4 2581 B9R0.4 C=CCCN(C)CC(C)O 2230a_100000227577_100000754431 [0,2,0,0,0,0|2,0,0]=4 2582 B9R0.4 C=CCCN(C)CC(C)O 2230a_100020639649_100011218427 [0,2,0,0,0,0|2,0,0]=4 2583 B9R0.4 C=CCCN(C)CC(C)O 269982a_100000227577_100000754431 [0,2,0,0,0,0|2,0,0]=4 2584 B9R0.4 C=CCCN(C)CC(C)O 269982a_100020639649_100011218427 [0,2,0,0,0,0|2,0,0]=4 2585 B9R0.4 C=CCCN(C)C[C@@H](C)O 2230a_100020639649_100009817552 [0,2,0,0,0,0|2,0,0]=4 2586 B9R0.4 C=CCCN(C)C[C@@H](C)O 269982a_100020639649_100009817552 [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,2,0,0,0,0|2,0,0]=4 2588 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.4 C=CCNC(C)CC(C)C 2230a_100000692259_100000210623 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.4 C=CCNC(C)CC(C)C 2230a_100020586998_100000731052 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.4 C=CCOC(C)CC(C)C 34a_100000211805_100015514636 [0,2,0,0,0,0|1,1,0]=4 2594 B9R0.4 C=CCOC(C)CC(C)C 34a_200000210373_100000731052 [0,2,0,0,0,0|1,1,0]=4 2595 B9R0.4 C=CCOC(C)CC(C)C 7a_100000211805_100015514636 [0,2,0,0,0,0|1,1,0]=4 2596 B9R0.4 C=CCSC(C)CC(C)C 62a_100000210623_100000731052 [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.4 C=CCSC(C)CC(C)C 62a_100000731052_100000210623 [0,2,0,0,0,0|1,0,0]=3 2598 B9R0.4 C=CCSC(C)CN(C)C 62a_100000210623_100020606517 [0,2,0,0,0,0|2,0,0]=4 2599 B9R0.4 C=CCSC(C)CN(C)C 62a_100020606517_100000210623 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.4 CC(C)CC(C)SCC=O 62a_100000731052_200015260668 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.4 CC(C)CC(C)SCC=O 62a_200015260668_100000731052 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,2,0,0,0,0|1,1,0]=4 2603 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [0,2,0,0,0,0|1,1,0]=4 2604 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [0,2,0,0,0,0|1,1,0]=4 2605 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [0,2,0,0,0,0|1,1,0]=4 2606 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [0,2,0,0,0,0|1,0,0]=3 2607 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [0,2,0,0,0,0|1,0,0]=3 2608 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.5 C/C=C/CSC(C)COC 62a_100000765312_100102629194 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.5 C/C=C/CSC(C)COC 62a_100102629194_100000765312 [0,2,0,0,0,0|2,0,0]=4 2612 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,2,0,0,0,0|2,0,0]=4 2615 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,2,0,0,0,0|2,0,0]=4 2616 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,2,0,0,0,0|2,0,0]=4 2622 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,2,0,0,0,0|2,0,0]=4 2626 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|1,1,0]=4 2627 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,2,0,0,0,0|1,0,0]=3 2628 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,2,0,0,0,0|2,0,0]=4 2629 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,2,0,0,0,0|2,0,0]=4 2630 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 2635 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 2636 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 2637 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 2642 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [0,2,0,0,0,0|2,0,0]=4 2646 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,2,0,0,0,0|1,1,0]=4 2647 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,2,0,0,0,0|1,1,0]=4 2648 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|2,0,0]=4 2649 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|2,0,0]=4 2650 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [0,2,0,0,0,0|2,0,0]=4 2651 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [0,2,0,0,0,0|2,0,0]=4 2652 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2653 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2654 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2655 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2656 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,2,0,0,0,0|2,0,0]=4 2657 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,2,0,0,0,0|2,0,0]=4 2658 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,2,0,0,0,0|2,0,0]=4 2659 B9R0.5 C=CCCNC(C)CCO 2230a_100015191253_100009893172 [0,2,0,0,0,0|2,0,0]=4 2660 B9R0.5 C=CCCNC(C)COC 2230a_100015191253_100000765312 [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.5 C=CCCNC(C)COC 270004a_100015191253_100000749346 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.5 C=CCCNC(C)CSC 270004a_100015191253_100011216314 [0,2,0,0,0,0|2,0,0]=4 2663 B9R0.5 C=CCCN[C@H](C)CCO 2230a_100000706166_100000754431 [0,2,0,0,0,0|2,0,0]=4 2664 B9R0.5 C=CCCN[C@H](C)CCO 34a_100000706166_100000754431 [0,2,0,0,0,0|2,0,0]=4 2665 B9R0.5 C=CCCN[C@H](C)COC 2230a_100000764878_100000754431 [0,2,0,0,0,0|2,0,0]=4 2666 B9R0.5 C=CCCOC(C)CCBr 34a_100012276601_100000754431 [0,2,0,0,0,0|1,1,0]=4 2667 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,2,0,0,0,0|1,1,0]=4 2668 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,2,0,0,0,0|1,1,0]=4 2669 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,2,0,0,0,0|1,1,0]=4 2670 B9R0.5 C=CCCOC(C)CCO 34a_100011205117_100009893172 [0,2,0,0,0,0|1,1,0]=4 2671 B9R0.5 C=CCCOC(C)COC 34a_100011205117_100000765312 [0,2,0,0,0,0|1,1,0]=4 2672 B9R0.5 C=CCCO[C@H](C)COC 34a_100011934205_100000754431 [0,2,0,0,0,0|1,1,0]=4 2673 B9R0.5 C=CCCSC(C)CC#N 62a_100000754431_100009813641 [0,2,0,0,0,0|1,0,1]=4 2674 B9R0.5 C=CCCSC(C)CC#N 62a_100009813641_100000754431 [0,2,0,0,0,0|1,0,1]=4 2675 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,2,0,0,0,0|1,0,0]=3 2676 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,2,0,0,0,0|1,0,0]=3 2677 B9R0.5 C=CCCSC(C)CCO 62a_100000754431_100009893172 [0,2,0,0,0,0|1,0,0]=3 2678 B9R0.5 C=CCCSC(C)CCO 62a_100009893172_100000754431 [0,2,0,0,0,0|1,0,0]=3 2679 B9R0.5 C=CCCSC(C)COC 62a_100000754431_100000765312 [0,2,0,0,0,0|1,0,0]=3 2680 B9R0.5 C=CCCSC(C)COC 62a_100000765312_100000754431 [0,2,0,0,0,0|1,0,0]=3 2681 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,2,0,0,0,0|2,0,0]=4 2682 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,2,0,0,0,0|2,0,0]=4 2683 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.5 C=CCN(C)CCCCF 2230a_100000225617_100000729493 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.5 C=CCN(C)CCCCF 269982a_100000225617_100000729493 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.5 C=CCN(C)CCCCO 2230a_100000225617_100000210776 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.5 C=CCN(C)CCCCO 2230a_100000717598_100000210623 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.5 C=CCN(C)CCCCO 269982a_100000225617_100000210776 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.5 C=CCN(C)CCCCO 269982a_100000717598_100000210623 [0,2,0,0,0,0|2,0,0]=4 2691 B9R0.5 C=CCN(C)CCCOC 2230a_100000224831_100000210623 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.5 C=CCN(C)CCCOC 2230a_100000225617_100000740836 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.5 C=CCN(C)CCCOC 269982a_100000224831_100000210623 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.5 C=CCN(C)CCCOC 269982a_100000225617_100000740836 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.5 C=CCN(C)CCOCC 2230a_100000225617_100011215890 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.5 C=CCN(C)CCOCC 269982a_100000225617_100011215890 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.5 C=CCN(C)CCSCC 2230a_100000225617_100000757381 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.5 C=CCN(C)CCSCC 269982a_100000225617_100000757381 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,2,0,0,0,0|1,1,0]=4 2706 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,2,0,0,0,0|1,1,0]=4 2707 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,2,0,0,0,0|1,1,0]=4 2708 B9R0.5 C=CCOCC(C)CCN 34a_106354213184_100015514636 [0,2,0,0,0,0|1,1,0]=4 2709 B9R0.5 C=CCOCC(N)COC 34a_100000724102_100015514636 [0,2,0,0,0,0|1,1,0]=4 2710 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [0,2,0,0,0,0|1,1,0]=4 2711 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,2,0,0,0,0|1,1,0]=4 2712 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,2,0,0,0,0|1,0,0]=3 2713 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,2,0,0,0,0|1,0,0]=3 2714 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,2,0,0,0,0|1,0,0]=3 2715 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [0,2,0,0,0,0|1,0,1]=4 2716 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [0,2,0,0,0,0|1,0,1]=4 2717 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,2,0,0,0,0|1,0,1]=4 2718 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,2,0,0,0,0|1,0,1]=4 2719 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,2,0,0,0,0|1,0,1]=4 2720 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,2,0,0,0,0|1,0,1]=4 2721 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,2,0,0,0,0|1,0,1]=4 2722 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|1,0,1]=4 2723 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|1,0,1]=4 2724 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,2,0,0,0,0|1,0,0]=3 2725 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,2,0,0,0,0|1,0,0]=3 2726 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [0,2,0,0,0,0|1,0,0]=3 2727 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [0,2,0,0,0,0|1,0,0]=3 2728 B9R0.5 C=CCSC[C@@H](O)CC#N 62a_100000001066_100000210623 [0,2,0,0,0,0|1,0,1]=4 2729 B9R0.5 C=CCSC[C@@H](O)CC#N 62a_100000210623_100000001066 [0,2,0,0,0,0|1,0,1]=4 2730 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,2,0,0,0,0|1,1,0]=4 2731 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,2,0,0,0,0|1,1,0]=4 2732 B9R0.5 C=CC[C@@H](C)OCCCF 34a_100000731007_100011934791 [0,2,0,0,0,0|1,1,0]=4 2733 B9R0.5 C=CC[C@@H](C)OCCCF 7a_100000731007_100011934791 [0,2,0,0,0,0|1,1,0]=4 2734 B9R0.5 C=CC[C@@H](C)OCCCO 34a_100000731007_100000230001 [0,2,0,0,0,0|1,1,0]=4 2735 B9R0.5 C=CC[C@@H](C)OCCCO 7a_100000731007_100011215043 [0,2,0,0,0,0|1,1,0]=4 2736 B9R0.5 C=CC[C@@H](C)OCCOC 34a_100000731007_100011201679 [0,2,0,0,0,0|1,1,0]=4 2737 B9R0.5 C=CC[C@@H](C)OCCOC 7a_100000731007_100000233755 [0,2,0,0,0,0|1,1,0]=4 2738 B9R0.5 C=CC[C@@H](C)OCCSC 34a_100000731007_100000212216 [0,2,0,0,0,0|1,1,0]=4 2739 B9R0.5 C=CC[C@@H](C)OCCSC 7a_100000731007_100000212216 [0,2,0,0,0,0|1,1,0]=4 2740 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,2,0,0,0,0|1,1,0]=4 2741 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|1,0,1]=4 2742 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|1,0,1]=4 2743 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,2,0,0,0,0|2,0,0]=4 2744 B9R0.5 C=COCCN(C)CCC 2230a_100000747261_100000039644 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.5 C=COCCN(C)CCC 269982a_100000747261_100000039644 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [0,2,0,0,0,0|1,1,0]=4 2748 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [0,2,0,0,0,0|1,1,0]=4 2749 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [0,2,0,0,0,0|1,0,0]=3 2750 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [0,2,0,0,0,0|1,0,0]=3 2751 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.5 CC=CCSC(C)COC 62a_100000070051_100000765312 [0,2,0,0,0,0|2,0,0]=4 2754 B9R0.5 CC=CCSC(C)COC 62a_100000765312_100000070051 [0,2,0,0,0,0|2,0,0]=4 2755 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,2,0,0,0,0|2,0,0]=4 2757 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [0,2,0,0,0,0|2,0,0]=4 2759 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 2763 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 2764 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 2765 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.8 C=CC(C)N(C)CCCC 269982a_100000207549_100011215867 [0,2,0,0,0,0|2,0,0]=4 2767 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.8 C=CCCN(C)C(C)CC 2230a_100000741768_100000754431 [0,2,0,0,0,0|2,0,0]=4 2771 B9R0.8 C=CCCN(C)C(C)CC 2230a_100020639649_100000758301 [0,2,0,0,0,0|2,0,0]=4 2772 B9R0.8 C=CCCN(C)C(C)CC 269982a_100000741768_100000754431 [0,2,0,0,0,0|2,0,0]=4 2773 B9R0.8 C=CCCN(C)C(C)CC 269982a_100020639649_100000758301 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,2,0,0,0,0|2,0,0]=4 2775 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,2,0,0,0,0|2,0,0]=4 2777 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.8 C=CCNC(C)C(C)CC 270004a_100020586998_100000210599 [0,2,0,0,0,0|2,0,0]=4 2779 B9R0.8 C=CCOC(C)C(C)CC 7a_100011215189_100015514636 [0,2,0,0,0,0|1,1,0]=4 2780 B9R0.8 C=CCSC(C)C(=O)CC 1458a_100000230602_100000210202 [0,2,0,0,0,0|1,0,1]=4 2781 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000210623_100000742827 [0,2,0,0,0,0|1,0,1]=4 2782 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000742827_100000210623 [0,2,0,0,0,0|1,0,1]=4 2783 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 34a_100015455354_100000210303 [0,2,0,0,0,0|1,1,0]=4 2784 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 7a_100015455354_100000210303 [0,2,0,0,0,0|1,1,0]=4 2785 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|2,0,0]=4 2786 B9R0.18 C/C=C/CN(C)CCCC 269982a_100000207549_100102629194 [0,2,0,0,0,0|2,0,0]=4 2787 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,2,0,0,0,0|2,0,0]=4 2789 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|2,0,0]=4 2791 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|2,0,0]=4 2796 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2800 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,2,0,0,0,0|1,1,0]=4 2803 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,2,0,0,0,0|1,1,0]=4 2804 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [0,2,0,0,0,0|2,0,0]=4 2806 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [0,2,0,0,0,0|2,0,0]=4 2807 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.18 C=CCCN(C)CCCF 2230a_100020639649_100011934791 [0,2,0,0,0,0|2,0,0]=4 2809 B9R0.18 C=CCCN(C)CCCF 269982a_100020639649_100011934791 [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.18 C=CCCN(C)CCCO 2230a_100000213112_100000754431 [0,2,0,0,0,0|2,0,0]=4 2811 B9R0.18 C=CCCN(C)CCCO 2230a_100020639649_100000230001 [0,2,0,0,0,0|2,0,0]=4 2812 B9R0.18 C=CCCN(C)CCCO 269982a_100000213112_100000754431 [0,2,0,0,0,0|2,0,0]=4 2813 B9R0.18 C=CCCN(C)CCCO 269982a_100020639649_100011215043 [0,2,0,0,0,0|2,0,0]=4 2814 B9R0.18 C=CCCN(C)CCOC 2230a_100000743101_100000754431 [0,2,0,0,0,0|2,0,0]=4 2815 B9R0.18 C=CCCN(C)CCOC 2230a_100011698344_200000210301 [0,2,0,0,0,0|2,0,0]=4 2816 B9R0.18 C=CCCN(C)CCOC 2230a_100020639649_100011201679 [0,2,0,0,0,0|2,0,0]=4 2817 B9R0.18 C=CCCN(C)CCOC 269982a_100000743101_100000754431 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.18 C=CCCN(C)CCOC 269982a_100011698344_200000210301 [0,2,0,0,0,0|2,0,0]=4 2819 B9R0.18 C=CCCN(C)CCOC 269982a_100020639649_100000233755 [0,2,0,0,0,0|2,0,0]=4 2820 B9R0.18 C=CCCN(C)CCSC 2230a_100000686725_100000754431 [0,2,0,0,0,0|2,0,0]=4 2821 B9R0.18 C=CCCN(C)CCSC 2230a_100020639649_100000751147 [0,2,0,0,0,0|2,0,0]=4 2822 B9R0.18 C=CCCN(C)CCSC 269982a_100000686725_100000754431 [0,2,0,0,0,0|2,0,0]=4 2823 B9R0.18 C=CCCN(C)CCSC 269982a_100020639649_100000212216 [0,2,0,0,0,0|2,0,0]=4 2824 B9R0.18 C=CCCN(C)COCC 269982a_100020639649_100000739092 [0,2,0,0,0,0|2,0,0]=4 2825 B9R0.18 C=CCCN([13CH3])CCOC 2230a_100011698344_200025704644 [0,2,0,0,0,0|2,0,0]=4 2826 B9R0.18 C=CCCN([13CH3])CCOC 269982a_100011698344_200025704644 [0,2,0,0,0,0|2,0,0]=4 2827 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,2,0,0,0,0|2,0,0]=4 2829 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,2,0,0,0,0|2,0,0]=4 2832 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,2,0,0,0,0|2,0,0]=4 2833 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,2,0,0,0,0|2,0,0]=4 2835 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|2,0,0]=4 2836 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|2,0,0]=4 2837 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|2,0,0]=4 2838 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|2,0,0]=4 2839 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|2,0,0]=4 2840 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|2,0,0]=4 2841 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|2,0,0]=4 2842 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,2,0,0,0,0|2,0,0]=4 2843 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|2,0,0]=4 2844 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|2,0,0]=4 2845 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|2,0,0]=4 2846 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,2,0,0,0,0|2,0,0]=4 2847 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,2,0,0,0,0|2,0,0]=4 2848 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,2,0,0,0,0|2,0,0]=4 2849 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,2,0,0,0,0|2,0,0]=4 2850 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,2,0,0,0,0|2,0,0]=4 2851 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,2,0,0,0,0|2,0,0]=4 2852 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,2,0,0,0,0|2,0,0]=4 2853 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,2,0,0,0,0|2,0,0]=4 2854 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,2,0,0,0,0|2,0,0]=4 2859 B9R0.18 C=CCNC(C)CCOC 270004a_100020586998_100000742357 [0,2,0,0,0,0|2,0,0]=4 2860 B9R0.18 C=CCNC(C)CCSC 270004a_100020586998_100011217047 [0,2,0,0,0,0|2,0,0]=4 2861 B9R0.18 C=CCNC(C)CSCC 270004a_100020586998_200011216171 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|1,1,0]=4 2863 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|1,1,0]=4 2864 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|1,1,0]=4 2865 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|1,1,0]=4 2866 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,2,0,0,0,0|1,1,0]=4 2867 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,2,0,0,0,0|1,1,0]=4 2868 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,2,0,0,0,0|1,1,0]=4 2869 B9R0.18 C=CCOC(C)CCCCl 34a_200000718107_100015514636 [0,2,0,0,0,0|1,1,0]=4 2870 B9R0.18 C=CCOC(C)CCCCl 7a_200000718107_100015514636 [0,2,0,0,0,0|1,1,0]=4 2871 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [0,2,0,0,0,0|1,1,0]=4 2872 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [0,2,0,0,0,0|1,1,0]=4 2873 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,2,0,0,0,0|1,0,0]=3 2874 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,2,0,0,0,0|1,0,0]=3 2875 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|2,0,0]=4 2876 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 2878 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 2879 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 2880 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 2881 B9R0.18 CC=CCN(C)CCCC 2230a_100000207549_100000070051 [0,2,0,0,0,0|2,0,0]=4 2882 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,2,0,0,0,0|2,0,0]=4 2883 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,2,0,0,0,0|2,0,0]=4 2884 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,2,0,0,0,0|2,0,0]=4 2885 B9R0.34 C=CC(C)OC(C)CCC 34a_100000695699_100000766640 [0,2,0,0,0,0|1,1,0]=4 2886 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [0,2,0,0,0,0|1,0,0]=3 2887 B9R0.34 C=CC(C)SC(C)CCO 62a_100011215867_100009893172 [0,2,0,0,0,0|2,0,0]=4 2888 B9R0.34 C=CC(C)SC(C)COC 62a_100011215867_100000765312 [0,2,0,0,0,0|2,0,0]=4 2889 B9R0.34 C=CC(O)CN(C)CCC 2230a_100000747261_100000730141 [0,2,0,0,0,0|2,0,0]=4 2890 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,2,0,0,0,0|2,0,0]=4 2892 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,2,0,0,0,0|2,0,0]=4 2893 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,2,0,0,0,0|2,0,0]=4 2894 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 2898 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,2,0,0,0,0|2,0,0]=4 2899 B9R0.34 C=CCN(C)CC(C)CC 2230a_100000225617_100000748023 [0,2,0,0,0,0|2,0,0]=4 2900 B9R0.34 C=CCN(C)CC(C)CC 2230a_100000753921_100000210623 [0,2,0,0,0,0|2,0,0]=4 2901 B9R0.34 C=CCN(C)CC(C)CC 269982a_100000225617_100000748023 [0,2,0,0,0,0|2,0,0]=4 2902 B9R0.34 C=CCN(C)CC(C)CC 269982a_100000753921_100000210623 [0,2,0,0,0,0|2,0,0]=4 2903 B9R0.34 C=CCN(C)CC(C)CC 270004a_100000225617_100000243153 [0,2,0,0,0,0|2,0,0]=4 2904 B9R0.34 C=CCN(C)CC(O)CC 2230a_100000225617_100011218378 [0,2,0,0,0,0|2,0,0]=4 2905 B9R0.34 C=CCN(C)CC(O)CC 269982a_100000225617_100011218378 [0,2,0,0,0,0|2,0,0]=4 2906 B9R0.34 C=CCN(C)C[C@@H](C)CC 2230a_100000225617_100009816398 [0,2,0,0,0,0|2,0,0]=4 2907 B9R0.34 C=CCN(C)C[C@@H](C)CC 269982a_100000225617_100009816398 [0,2,0,0,0,0|2,0,0]=4 2908 B9R0.34 C=CC[C@@H](C)OC(C)CC 34a_100000731007_100011215416 [0,2,0,0,0,0|1,1,0]=4 2909 B9R0.34 C=CC[C@@H](C)OC(C)CC 7a_100000731007_100000758301 [0,2,0,0,0,0|1,1,0]=4 2910 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,2,0,0,0,0|2,0,0]=4 2911 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,2,0,0,0,0|2,0,0]=4 2912 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2913 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2914 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2915 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 2916 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,2,0,0,0,0|2,0,0]=4 2917 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,2,0,0,0,0|2,0,0]=4 2918 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 2919 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 2920 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 2921 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 2922 B9R0.35 C=CCN(C)C(C)CCC 2230a_100000225617_100000766640 [0,2,0,0,0,0|2,0,0]=4 2923 B9R0.35 C=CCN(C)C(C)CCC 269982a_100000225617_100000766640 [0,2,0,0,0,0|2,0,0]=4 2924 B9R0.35 C=CCN(C)C(C)CCC 270004a_100000225617_100000211909 [0,2,0,0,0,0|2,0,0]=4 2925 B9R0.40 C#CC(CCC)OCC=C 34a_200011217317_100015514636 [0,2,0,0,0,0|1,1,0]=4 2926 B9R0.40 C#CC(CCC)OCC=C 7a_200011217317_100015514636 [0,2,0,0,0,0|1,1,0]=4 2927 B9R0.40 C=CCC(C=C)OCCC 34a_100000038011_100000210303 [0,2,0,0,0,0|1,1,0]=4 2928 B9R0.40 C=CCC(C=C)OCCC 7a_100000038011_100000210303 [0,2,0,0,0,0|1,1,0]=4 2929 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,2,0,0,0,0|2,0,0]=4 2930 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,2,0,0,0,0|2,0,0]=4 2931 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,2,0,0,0,0|2,0,0]=4 2932 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,2,0,0,0,0|2,0,0]=4 2933 B9R0.40 C=CCCN(CC)CCC 2230a_100000226822_100000754431 [0,2,0,0,0,0|2,0,0]=4 2934 B9R0.40 C=CCCN(CC)CCC 269982a_100000226822_100000754431 [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.40 C=CCN(CC)CCCC 2230a_100000207695_100000210623 [0,2,0,0,0,0|2,0,0]=4 2936 B9R0.40 C=CCN(CC)CCCC 269982a_100000207695_100000210623 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.40 C=CCNC(CC)CCC 2230a_100000747048_100000210623 [0,2,0,0,0,0|2,0,0]=4 2938 B9R0.40 C=CCNC(CC)CCC 270004a_100020586998_100000687865 [0,2,0,0,0,0|2,0,0]=4 2939 B9R0.40 C=CCN[C@H](CO)CCC 2230a_100000732646_100000210623 [0,2,0,0,0,0|2,0,0]=4 2940 B9R0.40 C=CCN[C@H](CO)CCC 34a_100000732646_100015514636 [0,2,0,0,0,0|2,0,0]=4 2941 B9R0.40 C=CCOC(C#N)CCC 34a_100000686963_100015514636 [0,2,0,0,0,0|1,1,0]=4 2942 B9R0.40 C=CCOC(C#N)CCC 7a_100000686963_100015514636 [0,2,0,0,0,0|1,1,0]=4 2943 B9R0.40 C=CCOC(C=C)CCC 34a_100011216692_100015514636 [0,2,0,0,0,0|1,1,0]=4 2944 B9R0.40 C=CCOC(C=C)CCC 7a_100011216692_100015514636 [0,2,0,0,0,0|1,1,0]=4 2945 B9R0.40 C=CCOC(CC)CCC 34a_100000687864_100015514636 [0,2,0,0,0,0|1,1,0]=4 2946 B9R0.40 C=CCOC(CC)CCC 7a_100000687864_100015514636 [0,2,0,0,0,0|1,1,0]=4 2947 B9R0.40 C=CCSC(CC)CCC 62a_100000210623_100011219200 [0,2,0,0,0,0|1,0,0]=3 2948 B9R0.40 C=CCSC(CC)CCC 62a_100011219200_100000210623 [0,2,0,0,0,0|1,0,0]=3 2949 B9R0.40 C=CC[C@H](CO)NCCC 2230a_100020615467_100000210303 [0,2,0,0,0,0|2,0,0]=4 2950 B9R0.40 CCCC(CC)SCC=O 62a_100011219200_200015260668 [0,2,0,0,0,0|2,0,0]=4 2951 B9R0.40 CCCC(CC)SCC=O 62a_200015260668_100011219200 [0,2,0,0,0,0|2,0,0]=4 2952 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|2,0,0]=4 2953 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|2,0,0]=4 2954 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,2,0,0,0,0|2,0,0]=4 2955 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,2,0,0,0,0|2,0,0]=4 2956 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2958 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,2,0,0,0,0|2,0,0]=4 2961 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,2,0,0,0,0|1,1,0]=4 2962 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,2,0,0,0,0|1,1,0]=4 2963 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,2,0,0,0,0|1,1,0]=4 2964 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,2,0,0,0,0|1,0,0]=3 2965 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,2,0,0,0,0|1,0,0]=3 2966 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.48 C=C(C)CSC(C)COC 62a_100000748629_100000765312 [0,2,0,0,0,0|2,0,0]=4 2969 B9R0.48 C=C(C)CSC(C)COC 62a_100000765312_100000211660 [0,2,0,0,0,0|2,0,0]=4 2970 B9R0.48 C=C(F)CNC(C)CCC 2230a_100000741246_100009893438 [0,2,0,0,0,0|2,0,0]=4 2971 B9R0.48 C=C(F)COC(C)CCC 34a_100000764384_100009893438 [0,2,0,0,0,0|1,1,0]=4 2972 B9R0.48 C=C(F)COC(C)CCC 34a_200010262243_100000766640 [0,2,0,0,0,0|1,1,0]=4 2973 B9R0.48 C=C(F)COC(C)CCC 7a_100000764384_100000042424 [0,2,0,0,0,0|1,1,0]=4 2974 B9R0.48 C=C(F)CSC(C)CCC 62a_100000042424_100000766640 [0,2,0,0,0,0|1,0,0]=3 2975 B9R0.48 C=C(F)CSC(C)CCC 62a_100000766640_100000042424 [0,2,0,0,0,0|1,0,0]=3 2976 B9R0.48 C=C(F)CSC(C)CCO 62a_100000042424_100009893172 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.48 C=C(F)CSC(C)CCO 62a_100009893172_100000042424 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.48 C=C(F)CSC(C)COC 62a_100000042424_100000765312 [0,2,0,0,0,0|2,0,0]=4 2979 B9R0.48 C=C(F)CSC(C)COC 62a_100000765312_100000042424 [0,2,0,0,0,0|2,0,0]=4 2980 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,2,0,0,0,0|2,0,0]=4 2982 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,2,0,0,0,0|2,0,0]=4 2983 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 2984 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 2985 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 2989 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 2990 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000225617_100000210312 [0,2,0,0,0,0|2,0,0]=4 2991 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000742789_100000210623 [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000225617_100000210312 [0,2,0,0,0,0|2,0,0]=4 2993 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000742789_100000210623 [0,2,0,0,0,0|2,0,0]=4 2994 B9R0.48 C=CCN(C)CCC(C)O 2230a_100000225617_100012276601 [0,2,0,0,0,0|2,0,0]=4 2995 B9R0.48 C=CCN(C)CCC(C)O 269982a_100000225617_100012276601 [0,2,0,0,0,0|2,0,0]=4 2996 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [0,2,0,0,0,0|1,1,0]=4 2997 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [0,2,0,0,0,0|1,1,0]=4 2998 B9R0.48 C=CC[C@@H](C)OCC(C)O 34a_100000731007_100011218427 [0,2,0,0,0,0|1,1,0]=4 2999 B9R0.48 C=CC[C@@H](C)OCC(C)O 7a_100000731007_100011218427 [0,2,0,0,0,0|1,1,0]=4 3000 B9R0.48 C=CC[C@@H](C)OC[C@@H](C)O 34a_100000731007_100009817552 [0,2,0,0,0,0|1,1,0]=4 3001 B9R0.48 C=CC[C@@H](C)OC[C@@H](C)O 7a_100000731007_100009817552 [0,2,0,0,0,0|1,1,0]=4 3002 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,2,0,0,0,0|2,0,0]=4 3004 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,2,0,0,0,0|2,0,0]=4 3005 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,2,0,0,0,0|2,0,0]=4 3006 B9R0.66 C=CCC(C)(C)OCCC 7a_100011995686_100000210303 [0,2,0,0,0,0|1,1,0]=4 3007 B9R0.66 C=CCNS(=O)(=O)CCC 270084a_100020586998_100000211391 [0,2,0,0,0,0|1,0,1]=4 3008 B9R0.66 C=CCNS(=O)(=O)CCC 274078a_100020586998_100000211391 [0,2,0,0,0,0|1,0,1]=4 3009 B9R0.66 C=CCNS(=O)(=O)CCC 40a_100020586998_100000054278 [0,2,0,0,0,0|1,0,1]=4 3010 B9R0.66 C=CCOC(C)(C)CCC 7a_100000748436_100015514636 [0,2,0,0,0,0|1,1,0]=4 3011 B9R0.66 C=CCS(=O)(=O)NCCC 270084a_100020643023_100000751117 [0,2,0,0,0,0|1,0,1]=4 3012 B9R0.66 C=CCS(=O)(=O)NCCC 274078a_100020643023_100000751117 [0,2,0,0,0,0|1,0,1]=4 3013 B9R0.2 C#CCCCSCC(=C)C 62a_100000748629_100011215417 [0,2,0,0,0,0|1,0,1]=4 3014 B9R0.2 C#CCCCSCC(=C)C 62a_100011215417_100000211660 [0,2,0,0,0,0|1,0,1]=4 3015 B9R0.2 C#CCCCSCC(=C)F 62a_100000042424_100011215417 [0,2,0,0,0,0|1,0,1]=4 3016 B9R0.2 C#CCCCSCC(=C)F 62a_100011215417_100000042424 [0,2,0,0,0,0|1,0,1]=4 3017 B9R0.2 C#CCCSCCC(=C)C 62a_100000688953_100000730704 [0,2,0,0,0,0|1,0,1]=4 3018 B9R0.2 C#CCCSCCC(=C)C 62a_100000730704_100000688953 [0,2,0,0,0,0|1,0,1]=4 3019 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [0,2,0,0,0,0|1,1,0]=4 3020 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [0,2,0,0,0,0|1,1,0]=4 3021 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [0,2,0,0,0,0|1,1,0]=4 3022 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [0,2,0,0,0,0|1,1,0]=4 3023 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,2,0,0,0,0|1,1,0]=4 3024 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,2,0,0,0,0|1,1,0]=4 3025 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,2,0,0,0,0|1,1,0]=4 3026 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,2,0,0,0,0|1,1,0]=4 3027 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [0,2,0,0,0,0|1,1,0]=4 3028 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,2,0,0,0,0|1,0,1]=4 3029 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,2,0,0,0,0|1,0,1]=4 3030 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [0,2,0,0,0,0|1,0,0]=3 3031 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [0,2,0,0,0,0|1,0,0]=3 3032 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,2,0,0,0,0|1,0,0]=3 3033 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,2,0,0,0,0|1,0,0]=3 3034 B9R0.2 C/C=C/CSCCN(C)C 62a_100102629194_100000755713 [0,2,0,0,0,0|2,0,0]=4 3035 B9R0.2 C/C=C/CSCOC(C)C 62a_100000709892_100102629194 [0,2,0,0,0,0|2,0,0]=4 3036 B9R0.2 C/C=C/CSCOC(C)C 62a_100102629194_100000709892 [0,2,0,0,0,0|2,0,0]=4 3037 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,2,0,0,0,0|1,1,0]=4 3038 B9R0.2 C=C(Br)CCOCCCF 34a_100009813270_100011934791 [0,2,0,0,0,0|1,1,0]=4 3039 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,2,0,0,0,0|1,1,0]=4 3040 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,2,0,0,0,0|1,1,0]=4 3041 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,2,0,0,0,0|1,1,0]=4 3042 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,2,0,0,0,0|2,0,0]=4 3047 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,2,0,0,0,0|2,0,0]=4 3048 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,2,0,0,0,0|1,1,0]=4 3049 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,2,0,0,0,0|1,1,0]=4 3050 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,2,0,0,0,0|1,1,0]=4 3051 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,2,0,0,0,0|1,1,0]=4 3052 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,2,0,0,0,0|1,1,0]=4 3053 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,2,0,0,0,0|1,1,0]=4 3054 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,2,0,0,0,0|1,1,0]=4 3055 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,2,0,0,0,0|1,1,0]=4 3056 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,2,0,0,0,0|1,1,0]=4 3057 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,2,0,0,0,0|1,1,0]=4 3058 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,2,0,0,0,0|1,1,0]=4 3059 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,2,0,0,0,0|1,1,0]=4 3060 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,2,0,0,0,0|1,1,0]=4 3061 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,2,0,0,0,0|1,1,0]=4 3062 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [0,2,0,0,0,0|1,0,1]=4 3063 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [0,2,0,0,0,0|1,0,1]=4 3064 B9R0.2 C=C(C)CCSCC#CC 62a_100000730704_100000748600 [0,2,0,0,0,0|1,0,1]=4 3065 B9R0.2 C=C(C)CCSCC#CC 62a_100000748600_100000730704 [0,2,0,0,0,0|1,0,1]=4 3066 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [0,2,0,0,0,0|1,0,1]=4 3067 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [0,2,0,0,0,0|1,0,1]=4 3068 B9R0.2 C=C(C)CCSCCC#N 62a_100000730704_100011215226 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.2 C=C(C)CCSCCC#N 62a_100011215226_100000730704 [0,2,0,0,0,0|1,0,1]=4 3070 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,2,0,0,0,0|1,0,0]=3 3071 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,2,0,0,0,0|1,0,0]=3 3072 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,2,0,0,0,0|1,0,0]=3 3073 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,2,0,0,0,0|1,0,0]=3 3074 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,2,0,0,0,0|1,0,0]=3 3077 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,2,0,0,0,0|1,0,0]=3 3078 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,2,0,0,0,0|1,0,0]=3 3079 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,2,0,0,0,0|1,0,0]=3 3080 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,2,0,0,0,0|1,0,0]=3 3081 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,2,0,0,0,0|1,0,0]=3 3082 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,2,0,0,0,0|1,1,0]=4 3091 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,2,0,0,0,0|1,1,0]=4 3092 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,2,0,0,0,0|1,1,0]=4 3093 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,2,0,0,0,0|1,1,0]=4 3094 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,2,0,0,0,0|1,1,0]=4 3095 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,2,0,0,0,0|1,1,0]=4 3096 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,2,0,0,0,0|1,1,0]=4 3097 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,2,0,0,0,0|1,1,0]=4 3098 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,2,0,0,0,0|1,1,0]=4 3099 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,2,0,0,0,0|1,1,0]=4 3100 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,2,0,0,0,0|1,1,0]=4 3101 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,2,0,0,0,0|1,1,0]=4 3102 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,2,0,0,0,0|1,1,0]=4 3103 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,2,0,0,0,0|1,1,0]=4 3104 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,2,0,0,0,0|1,1,0]=4 3105 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,2,0,0,0,0|1,1,0]=4 3106 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,2,0,0,0,0|1,1,0]=4 3107 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,2,0,0,0,0|1,1,0]=4 3108 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,2,0,0,0,0|1,1,0]=4 3109 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,2,0,0,0,0|1,1,0]=4 3110 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,2,0,0,0,0|1,1,0]=4 3111 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,2,0,0,0,0|1,1,0]=4 3112 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,2,0,0,0,0|1,1,0]=4 3113 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [0,2,0,0,0,0|1,0,1]=4 3114 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [0,2,0,0,0,0|1,0,1]=4 3115 B9R0.2 C=C(C)CSCC#CCC 62a_100000748629_100009813939 [0,2,0,0,0,0|1,0,1]=4 3116 B9R0.2 C=C(C)CSCC#CCC 62a_100009813939_100000211660 [0,2,0,0,0,0|1,0,1]=4 3117 B9R0.2 C=C(C)CSCCCC#N 62a_100000687738_100000211660 [0,2,0,0,0,0|1,0,1]=4 3118 B9R0.2 C=C(C)CSCCCC#N 62a_100000748629_100000687738 [0,2,0,0,0,0|1,0,1]=4 3119 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,2,0,0,0,0|1,0,1]=4 3120 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,2,0,0,0,0|1,0,1]=4 3121 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,2,0,0,0,0|1,0,0]=3 3122 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,2,0,0,0,0|1,0,0]=3 3123 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,2,0,0,0,0|1,0,0]=3 3124 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,2,0,0,0,0|1,0,0]=3 3125 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,2,0,0,0,0|1,0,0]=3 3126 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,2,0,0,0,0|1,0,0]=3 3127 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,2,0,0,0,0|1,0,0]=3 3128 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,2,0,0,0,0|1,0,0]=3 3129 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,2,0,0,0,0|1,0,0]=3 3130 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,2,0,0,0,0|1,0,0]=3 3131 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,2,0,0,0,0|1,0,0]=3 3132 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,2,0,0,0,0|1,0,0]=3 3133 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,2,0,0,0,0|2,0,0]=4 3134 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.2 C=C(F)CNCCCOC 34a_100150723488_100009893438 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.2 C=C(F)CNCCCSC 2230a_100000749238_100009893438 [0,2,0,0,0,0|2,0,0]=4 3138 B9R0.2 C=C(F)CNCCOCC 2230a_102516460346_100009893438 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.2 C=C(F)CNCCOCC 34a_102516460346_100009893438 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.2 C=C(F)CNCCSCC 2230a_100000106463_100009893438 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.2 C=C(F)COCCCCBr 34a_100011216708_100009893438 [0,2,0,0,0,0|1,1,0]=4 3142 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,2,0,0,0,0|1,1,0]=4 3143 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,2,0,0,0,0|1,1,0]=4 3144 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,2,0,0,0,0|1,1,0]=4 3145 B9R0.2 C=C(F)COCCCCCl 34a_100000210776_100009893438 [0,2,0,0,0,0|1,1,0]=4 3146 B9R0.2 C=C(F)COCCCCCl 7a_100000210776_100000042424 [0,2,0,0,0,0|1,1,0]=4 3147 B9R0.2 C=C(F)COCCCCF 34a_100011995726_100009893438 [0,2,0,0,0,0|1,1,0]=4 3148 B9R0.2 C=C(F)COCCCCF 34a_200010262243_100000729493 [0,2,0,0,0,0|1,1,0]=4 3149 B9R0.2 C=C(F)COCCCCF 7a_100011995726_100000042424 [0,2,0,0,0,0|1,1,0]=4 3150 B9R0.2 C=C(F)COCCCCI 34a_200012148704_100009893438 [0,2,0,0,0,0|1,1,0]=4 3151 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [0,2,0,0,0,0|1,1,0]=4 3152 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,2,0,0,0,0|1,1,0]=4 3153 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,2,0,0,0,0|1,1,0]=4 3154 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,2,0,0,0,0|1,1,0]=4 3155 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,2,0,0,0,0|1,1,0]=4 3156 B9R0.2 C=C(F)COCCCSC 34a_100000690336_100009893438 [0,2,0,0,0,0|1,1,0]=4 3157 B9R0.2 C=C(F)COCCCSC 7a_100000690336_100000042424 [0,2,0,0,0,0|1,1,0]=4 3158 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [0,2,0,0,0,0|1,1,0]=4 3159 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [0,2,0,0,0,0|1,1,0]=4 3160 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [0,2,0,0,0,0|1,1,0]=4 3161 B9R0.2 C=C(F)COCCSCC 34a_100000212035_100009893438 [0,2,0,0,0,0|1,1,0]=4 3162 B9R0.2 C=C(F)COCCSCC 34a_200010262243_100000757381 [0,2,0,0,0,0|1,1,0]=4 3163 B9R0.2 C=C(F)COCCSCC 7a_100000212035_100000042424 [0,2,0,0,0,0|1,1,0]=4 3164 B9R0.2 C=C(F)CSC/C=C\CC 62a_100000042424_100103147603 [0,2,0,0,0,0|1,0,1]=4 3165 B9R0.2 C=C(F)CSC/C=C\CC 62a_100103147603_100000042424 [0,2,0,0,0,0|1,0,1]=4 3166 B9R0.2 C=C(F)CSCC#CCC 62a_100000042424_100009813939 [0,2,0,0,0,0|1,0,1]=4 3167 B9R0.2 C=C(F)CSCC#CCC 62a_100009813939_100000042424 [0,2,0,0,0,0|1,0,1]=4 3168 B9R0.2 C=C(F)CSCCCC#N 62a_100000042424_100000687738 [0,2,0,0,0,0|1,0,1]=4 3169 B9R0.2 C=C(F)CSCCCC#N 62a_100000687738_100000042424 [0,2,0,0,0,0|1,0,1]=4 3170 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [0,2,0,0,0,0|1,0,1]=4 3171 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [0,2,0,0,0,0|1,0,1]=4 3172 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,2,0,0,0,0|1,0,0]=3 3173 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,2,0,0,0,0|1,0,0]=3 3174 B9R0.2 C=C(F)CSCCCCF 62a_100000042424_100000729493 [0,2,0,0,0,0|1,0,0]=3 3175 B9R0.2 C=C(F)CSCCCCF 62a_100000729493_100000042424 [0,2,0,0,0,0|1,0,0]=3 3176 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,2,0,0,0,0|1,0,0]=3 3177 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,2,0,0,0,0|1,0,0]=3 3178 B9R0.2 C=C(F)CSCCCOC 62a_100000042424_100000709357 [0,2,0,0,0,0|1,0,0]=3 3179 B9R0.2 C=C(F)CSCCCOC 62a_100000709357_100000042424 [0,2,0,0,0,0|1,0,0]=3 3180 B9R0.2 C=C(F)CSCCOCC 62a_100000042424_100011215890 [0,2,0,0,0,0|1,0,0]=3 3181 B9R0.2 C=C(F)CSCCOCC 62a_100000210147_100000042424 [0,2,0,0,0,0|1,0,0]=3 3182 B9R0.2 C=C(F)CSCCSCC 62a_100000042424_100000757381 [0,2,0,0,0,0|1,0,0]=3 3183 B9R0.2 C=C(F)CSCCSCC 62a_100000757381_100000042424 [0,2,0,0,0,0|1,0,0]=3 3184 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,2,0,0,0,0|2,0,0]=4 3191 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,2,0,0,0,0|2,0,0]=4 3192 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,2,0,0,0,0|2,0,0]=4 3193 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,2,0,0,0,0|2,0,0]=4 3194 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,2,0,0,0,0|2,0,0]=4 3196 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,2,0,0,0,0|2,0,0]=4 3197 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,2,0,0,0,0|2,0,0]=4 3198 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,2,0,0,0,0|2,0,0]=4 3201 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,2,0,0,0,0|2,0,0]=4 3203 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,2,0,0,0,0|1,1,0]=4 3210 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,2,0,0,0,0|1,1,0]=4 3211 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,2,0,0,0,0|1,1,0]=4 3212 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,2,0,0,0,0|1,1,0]=4 3213 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,2,0,0,0,0|1,1,0]=4 3214 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,2,0,0,0,0|1,1,0]=4 3215 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,2,0,0,0,0|1,1,0]=4 3216 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,2,0,0,0,0|1,1,0]=4 3217 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,2,0,0,0,0|1,1,0]=4 3218 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,2,0,0,0,0|1,1,0]=4 3219 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,2,0,0,0,0|1,1,0]=4 3220 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,2,0,0,0,0|1,0,1]=4 3221 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,2,0,0,0,0|1,0,1]=4 3222 B9R0.2 C=CCCCSCC(=C)F 62a_100000042424_100000757094 [0,2,0,0,0,0|1,0,1]=4 3223 B9R0.2 C=CCCCSCC(=C)F 62a_100011713584_100000042424 [0,2,0,0,0,0|1,0,1]=4 3224 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,2,0,0,0,0|1,0,0]=3 3225 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,2,0,0,0,0|1,0,0]=3 3226 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,2,0,0,0,0|1,0,0]=3 3228 B9R0.2 C=CCCCSCC(F)F 62a_100011713584_100011934356 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.2 C=CCCCSCC(F)F 62a_100011934356_100000757094 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,2,0,0,0,0|1,0,0]=3 3231 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,2,0,0,0,0|1,0,0]=3 3232 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.2 C=CCCNCOC(C)C 2230a_100015191253_100000709892 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,2,0,0,0,0|1,1,0]=4 3239 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,2,0,0,0,0|1,1,0]=4 3240 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,2,0,0,0,0|1,1,0]=4 3241 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,2,0,0,0,0|1,1,0]=4 3242 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,2,0,0,0,0|1,1,0]=4 3243 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,2,0,0,0,0|1,1,0]=4 3244 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,2,0,0,0,0|1,1,0]=4 3245 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,2,0,0,0,0|1,1,0]=4 3246 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,2,0,0,0,0|1,1,0]=4 3247 B9R0.2 C=CCCOCCC(F)F 34a_100103093639_100000754431 [0,2,0,0,0,0|1,1,0]=4 3248 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,2,0,0,0,0|1,1,0]=4 3249 B9R0.2 C=CCCOCOC(C)C 34a_100011205117_100000709892 [0,2,0,0,0,0|1,1,0]=4 3250 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [0,2,0,0,0,0|1,0,1]=4 3251 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [0,2,0,0,0,0|1,0,1]=4 3252 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,2,0,0,0,0|1,0,0]=3 3253 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,2,0,0,0,0|1,0,0]=3 3254 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,2,0,0,0,0|1,0,0]=3 3255 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,2,0,0,0,0|1,0,0]=3 3256 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,2,0,0,0,0|1,0,1]=4 3257 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,2,0,0,0,0|1,0,1]=4 3258 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,2,0,0,0,0|1,0,0]=3 3259 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,2,0,0,0,0|1,0,0]=3 3260 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,2,0,0,0,0|1,0,0]=3 3261 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,2,0,0,0,0|1,0,0]=3 3262 B9R0.2 C=CCCSCCN(C)C 62a_100000754431_100000755713 [0,2,0,0,0,0|1,0,0]=3 3263 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,2,0,0,0,0|1,0,1]=4 3264 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,2,0,0,0,0|1,0,1]=4 3265 B9R0.2 C=CCCSCOC(C)C 62a_100000709892_100000754431 [0,2,0,0,0,0|1,0,0]=3 3266 B9R0.2 C=CCCSCOC(C)C 62a_100000754431_100000709892 [0,2,0,0,0,0|1,0,0]=3 3267 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,2,0,0,0,0|2,0,0]=4 3268 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,2,0,0,0,0|2,0,0]=4 3269 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,2,0,0,0,0|2,0,0]=4 3270 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,2,0,0,0,0|2,0,0]=4 3271 B9R0.2 C=CCNCCCS(=O)C 2230a_200000753449_100000210623 [0,2,0,0,0,0|2,0,0]=4 3272 B9R0.2 C=CCNCCOC(C)C 2230a_100000701111_100000210623 [0,2,0,0,0,0|2,0,0]=4 3273 B9R0.2 C=CCNCCOC(C)C 2230a_100020586998_100000211751 [0,2,0,0,0,0|2,0,0]=4 3274 B9R0.2 C=CCNCCOC(C)C 34a_100000701111_100015514636 [0,2,0,0,0,0|2,0,0]=4 3275 B9R0.2 C=CCNCCSC(C)C 2230a_100000731138_100000210623 [0,2,0,0,0,0|2,0,0]=4 3276 B9R0.2 C=CCNCCSC(C)C 2230a_100020586998_100000730970 [0,2,0,0,0,0|2,0,0]=4 3277 B9R0.2 C=CCNCCSC(C)C 34a_100000731138_100015514636 [0,2,0,0,0,0|2,0,0]=4 3278 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,2,0,0,0,0|1,1,0]=4 3279 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,2,0,0,0,0|1,1,0]=4 3280 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,2,0,0,0,0|1,1,0]=4 3281 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,2,0,0,0,0|1,1,0]=4 3282 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,2,0,0,0,0|1,1,0]=4 3283 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,2,0,0,0,0|1,1,0]=4 3284 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,2,0,0,0,0|1,1,0]=4 3285 B9R0.2 C=CCOCCNC(C)C 34a_100000224655_100015514636 [0,2,0,0,0,0|1,1,0]=4 3286 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,2,0,0,0,0|1,1,0]=4 3287 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,2,0,0,0,0|1,1,0]=4 3288 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,2,0,0,0,0|1,1,0]=4 3289 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,2,0,0,0,0|1,1,0]=4 3290 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,2,0,0,0,0|1,1,0]=4 3291 B9R0.2 C=CCOCCSC(C)C 34a_200000210373_100000730970 [0,2,0,0,0,0|1,1,0]=4 3292 B9R0.2 C=CCOCCSC(C)C 34a_200011212901_100015514636 [0,2,0,0,0,0|1,1,0]=4 3293 B9R0.2 C=CCOCCSC(C)C 7a_200011212901_100015514636 [0,2,0,0,0,0|1,1,0]=4 3294 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [0,2,0,0,0,0|1,0,1]=4 3295 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [0,2,0,0,0,0|1,0,1]=4 3296 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,2,0,0,0,0|1,0,0]=3 3297 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,2,0,0,0,0|1,0,0]=3 3298 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,2,0,0,0,0|1,0,1]=4 3299 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,2,0,0,0,0|1,0,1]=4 3300 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,2,0,0,0,0|1,0,0]=3 3301 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,2,0,0,0,0|1,0,0]=3 3302 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,2,0,0,0,0|1,0,0]=3 3303 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,2,0,0,0,0|1,0,0]=3 3304 B9R0.2 C=CCSCCCN(C)C 62a_100000210623_100000757444 [0,2,0,0,0,0|1,0,0]=3 3305 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,2,0,0,0,0|1,0,1]=4 3306 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,2,0,0,0,0|1,0,1]=4 3307 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,2,0,0,0,0|1,0,1]=4 3308 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,2,0,0,0,0|1,0,1]=4 3309 B9R0.2 C=CCSCCOC(C)C 62a_100000210623_100000211751 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.2 C=CCSCCOC(C)C 62a_100000211751_100000210623 [0,2,0,0,0,0|1,0,0]=3 3311 B9R0.2 C=CCSCCSC(C)C 62a_100000210623_100000730970 [0,2,0,0,0,0|1,0,0]=3 3312 B9R0.2 C=CCSCCSC(C)C 62a_100000730970_100000210623 [0,2,0,0,0,0|1,0,0]=3 3313 B9R0.2 C=COCCNCC(C)C 2230a_100000210953_100000039644 [0,2,0,0,0,0|2,0,0]=4 3314 B9R0.2 C=COCCNCC(C)C 34a_100000210953_100000039644 [0,2,0,0,0,0|2,0,0]=4 3315 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,2,0,0,0,0|2,0,0]=4 3316 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,2,0,0,0,0|2,0,0]=4 3317 B9R0.2 C=COCCOCC(C)Br 34a_100012180447_100000039644 [0,2,0,0,0,0|1,1,0]=4 3318 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,2,0,0,0,0|1,1,0]=4 3319 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,2,0,0,0,0|1,1,0]=4 3320 B9R0.2 C=COCCOCC(C)F 34a_100015925927_100000039644 [0,2,0,0,0,0|1,1,0]=4 3321 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,2,0,0,0,0|1,1,0]=4 3322 B9R0.2 C=COCCOC[C@@H](C)Cl 34a_100016084084_100000039644 [0,2,0,0,0,0|1,1,0]=4 3323 B9R0.2 C=COCCOC[C@@H](C)N 34a_100000737577_100000039644 [0,2,0,0,0,0|1,1,0]=4 3324 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,2,0,0,0,0|1,1,0]=4 3325 B9R0.2 C=COCCSCC(=C)C 62a_100000039644_100000211660 [0,2,0,0,0,0|1,0,1]=4 3326 B9R0.2 C=COCCSCC(=C)C 62a_100000748629_100000039644 [0,2,0,0,0,0|1,0,1]=4 3327 B9R0.2 C=COCCSCC(C)C 62a_100000039644_100000210760 [0,2,0,0,0,0|1,0,0]=3 3328 B9R0.2 C=COCCSCC(C)C 62a_100000210624_100000039644 [0,2,0,0,0,0|1,0,0]=3 3329 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,2,0,0,0,0|1,0,0]=3 3330 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,2,0,0,0,0|1,0,0]=3 3331 B9R0.2 C=COCCSCC(F)F 62a_100000039644_100011934356 [0,2,0,0,0,0|2,0,0]=4 3332 B9R0.2 C=COCCSCC(F)F 62a_100011934356_100000039644 [0,2,0,0,0,0|2,0,0]=4 3333 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,2,0,0,0,0|1,0,0]=3 3334 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,2,0,0,0,0|1,0,0]=3 3335 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [0,2,0,0,0,0|2,0,0]=4 3337 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,2,0,0,0,0|2,0,0]=4 3338 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,2,0,0,0,0|2,0,0]=4 3339 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,2,0,0,0,0|1,0,1]=4 3346 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,2,0,0,0,0|1,0,1]=4 3347 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,2,0,0,0,0|1,0,1]=4 3348 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,2,0,0,0,0|1,0,1]=4 3349 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,2,0,0,0,0|2,0,0]=4 3350 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,2,0,0,0,0|2,0,0]=4 3351 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,2,0,0,0,0|1,0,1]=4 3352 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,2,0,0,0,0|1,0,1]=4 3353 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,2,0,0,0,0|1,0,1]=4 3360 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,2,0,0,0,0|1,0,1]=4 3361 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [0,2,0,0,0,0|2,0,0]=4 3362 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [0,2,0,0,0,0|1,1,0]=4 3363 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,2,0,0,0,0|1,1,0]=4 3364 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,2,0,0,0,0|1,1,0]=4 3365 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [0,2,0,0,0,0|1,1,0]=4 3366 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,2,0,0,0,0|1,0,1]=4 3367 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,2,0,0,0,0|1,0,1]=4 3368 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [0,2,0,0,0,0|1,0,0]=3 3369 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [0,2,0,0,0,0|1,0,0]=3 3370 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,2,0,0,0,0|1,0,0]=3 3371 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,2,0,0,0,0|1,0,0]=3 3372 B9R0.2 CC=CCSCCN(C)C 62a_100000070051_100000755713 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.2 CC=CCSCOC(C)C 62a_100000070051_100000709892 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.2 CC=CCSCOC(C)C 62a_100000709892_100000070051 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,2,0,0,0,0|2,0,0]=4 3378 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,2,0,0,0,0|1,1,0]=4 3383 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,2,0,0,0,0|1,1,0]=4 3384 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,2,0,0,0,0|1,1,0]=4 3385 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,2,0,0,0,0|1,0,0]=3 3386 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,2,0,0,0,0|1,0,0]=3 3387 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,2,0,0,0,0|1,0,1]=4 3388 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,2,0,0,0,0|1,0,1]=4 3389 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,2,0,0,0,0|1,0,1]=4 3390 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,2,0,0,0,0|1,0,1]=4 3391 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,2,0,0,0,0|1,0,1]=4 3392 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,2,0,0,0,0|1,0,1]=4 3393 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,2,0,0,0,0|1,1,0]=4 3394 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,2,0,0,0,0|1,1,0]=4 3395 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,2,0,0,0,0|1,0,0]=3 3396 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,2,0,0,0,0|1,0,0]=3 3397 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,2,0,0,0,0|1,0,0]=3 3398 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,2,0,0,0,0|1,0,0]=3 3399 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,2,0,0,0,0|1,0,1]=4 3400 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,2,0,0,0,0|1,0,1]=4 3401 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,2,0,0,0,0|1,0,1]=4 3402 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,2,0,0,0,0|1,0,1]=4 3403 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,2,0,0,0,0|1,0,1]=4 3404 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,2,0,0,0,0|1,0,1]=4 3405 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,2,0,0,0,0|1,0,1]=4 3406 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,2,0,0,0,0|1,0,1]=4 3407 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,2,0,0,0,0|1,0,1]=4 3408 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,2,0,0,0,0|1,0,1]=4 3411 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,2,0,0,0,0|1,0,1]=4 3412 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,2,0,0,0,0|2,0,0]=4 3416 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,2,0,0,0,0|1,0,1]=4 3421 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,2,0,0,0,0|1,0,1]=4 3422 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,2,0,0,0,0|2,0,0]=4 3426 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,2,0,0,0,0|2,0,0]=4 3428 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,2,0,0,0,0|1,0,1]=4 3437 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [0,2,0,0,0,0|2,0,0]=4 3440 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.2 COCSCCC=C(F)F 62a_100000766300_200009816681 [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.2 COCSCCC=C(F)F 62a_200009816681_100000766300 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [0,2,0,0,0,0|2,0,0]=4 3444 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,2,0,0,0,0|1,0,1]=4 3446 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,2,0,0,0,0|1,0,1]=4 3447 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.2 CSCSCCC=C(F)F 62a_100011218213_200009816681 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.2 CSCSCCC=C(F)F 62a_200009816681_100011218213 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,2,0,0,0,0|1,0,1]=4 3454 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,2,0,0,0,0|1,0,1]=4 3455 B9R0.2 FCCSCCC=C(F)F 62a_100011217306_200009816681 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.2 FCCSCCC=C(F)F 62a_200009816681_100011217306 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,2,0,0,0,0|2,0,0]=4 3458 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,2,0,0,0,0|2,0,0]=4 3459 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,2,0,0,0,0|2,0,0]=4 3461 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,2,0,0,0,0|2,0,0]=4 3462 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,2,0,0,0,0|2,0,0]=4 3463 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,2,0,0,0,0|2,0,0]=4 3464 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,2,0,0,0,0|2,0,0]=4 3466 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.2 OCCSCCC=C(F)F 62a_100000211926_200009816681 [0,2,0,0,0,0|2,0,0]=4 3470 B9R0.2 OCCSCCC=C(F)F 62a_200009816681_100000211926 [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.45 C#CCCCCNCC=C 2230a_100000706060_100000210623 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.45 C#CCCCCNCC=C 2230a_100020586998_100010269958 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.45 C#CCCCCNCC=C 34a_100000706060_100015514636 [0,2,0,0,0,0|2,0,0]=4 3474 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [0,2,0,0,0,0|1,1,0]=4 3475 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [0,2,0,0,0,0|1,1,0]=4 3476 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [0,2,0,0,0,0|1,1,0]=4 3477 B9R0.45 C#CCCCCSCC=C 62a_100000210623_100010269958 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.45 C#CCCCCSCC=C 62a_100010269958_100000210623 [0,2,0,0,0,0|1,0,0]=3 3479 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.45 C#CCCCNCCC=C 2230a_100015191253_100000731252 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.45 C#CCCCNCCC=C 34a_100000718082_100000754431 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.45 C#CCCCOCCC=C 34a_100000215630_100000754431 [0,2,0,0,0,0|1,1,0]=4 3484 B9R0.45 C#CCCCOCCC=C 34a_100011205117_100000695029 [0,2,0,0,0,0|1,1,0]=4 3485 B9R0.45 C#CCCCOCCC=C 7a_100000215630_100000754431 [0,2,0,0,0,0|1,1,0]=4 3486 B9R0.45 C#CCCCSC/C=C/C 62a_100011215417_100102629194 [0,2,0,0,0,0|1,0,1]=4 3487 B9R0.45 C#CCCCSC/C=C/C 62a_100102629194_100011215417 [0,2,0,0,0,0|1,0,1]=4 3488 B9R0.45 C#CCCCSCC=CC 62a_100000070051_100011215417 [0,2,0,0,0,0|1,0,1]=4 3489 B9R0.45 C#CCCCSCC=CC 62a_100011215417_100000070051 [0,2,0,0,0,0|1,0,1]=4 3490 B9R0.45 C#CCCCSCCC=C 62a_100000754431_100011215417 [0,2,0,0,0,0|1,0,0]=3 3491 B9R0.45 C#CCCCSCCC=C 62a_100011215417_100000754431 [0,2,0,0,0,0|1,0,0]=3 3492 B9R0.45 C#CCCSCCCC=C 62a_100000688953_100000757094 [0,2,0,0,0,0|1,0,1]=4 3493 B9R0.45 C#CCCSCCCC=C 62a_100011713584_100000688953 [0,2,0,0,0,0|1,0,1]=4 3494 B9R0.45 C#CCCSCCOC=C 62a_100000039644_100000688953 [0,2,0,0,0,0|1,0,1]=4 3495 B9R0.45 C#CCCSCCOC=C 62a_100000688953_100000039644 [0,2,0,0,0,0|1,0,1]=4 3496 B9R0.45 C#CCOCCSCC=C 62a_100000210623_100010402529 [0,2,0,0,0,0|1,0,1]=4 3497 B9R0.45 C#CCOCCSCC=C 62a_100010402529_100000210623 [0,2,0,0,0,0|1,0,1]=4 3498 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,2,0,0,0,0|1,1,0]=4 3499 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,2,0,0,0,0|1,1,0]=4 3500 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,2,0,0,0,0|1,1,0]=4 3501 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,2,0,0,0,0|1,1,0]=4 3502 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,2,0,0,0,0|1,1,0]=4 3503 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,2,0,0,0,0|1,1,0]=4 3507 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,2,0,0,0,0|1,1,0]=4 3508 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,2,0,0,0,0|1,1,0]=4 3509 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,2,0,0,0,0|1,1,0]=4 3510 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,2,0,0,0,0|1,1,0]=4 3511 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,2,0,0,0,0|1,1,0]=4 3512 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,2,0,0,0,0|1,1,0]=4 3513 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,2,0,0,0,0|1,1,0]=4 3514 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,2,0,0,0,0|1,1,0]=4 3515 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,2,0,0,0,0|1,1,0]=4 3516 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,2,0,0,0,0|1,1,0]=4 3517 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,2,0,0,0,0|1,1,0]=4 3518 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [0,2,0,0,0,0|1,1,0]=4 3519 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,2,0,0,0,0|1,1,0]=4 3520 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,2,0,0,0,0|1,1,0]=4 3521 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,2,0,0,0,0|1,1,0]=4 3522 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,2,0,0,0,0|1,1,0]=4 3523 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,2,0,0,0,0|1,1,0]=4 3524 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,2,0,0,0,0|1,1,0]=4 3525 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,2,0,0,0,0|1,1,0]=4 3526 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [0,2,0,0,0,0|1,1,0]=4 3527 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [0,2,0,0,0,0|1,1,0]=4 3528 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [0,2,0,0,0,0|1,1,0]=4 3529 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [0,2,0,0,0,0|1,0,1]=4 3530 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [0,2,0,0,0,0|1,0,1]=4 3531 B9R0.45 C/C=C/CSCC#CCC 62a_100009813939_100102629194 [0,2,0,0,0,0|1,0,1]=4 3532 B9R0.45 C/C=C/CSCC#CCC 62a_100102629194_100009813939 [0,2,0,0,0,0|1,0,1]=4 3533 B9R0.45 C/C=C/CSCCCC#N 62a_100000687738_100102629194 [0,2,0,0,0,0|1,0,1]=4 3534 B9R0.45 C/C=C/CSCCCC#N 62a_100102629194_100000687738 [0,2,0,0,0,0|1,0,1]=4 3535 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,2,0,0,0,0|1,0,1]=4 3536 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,2,0,0,0,0|1,0,1]=4 3537 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,2,0,0,0,0|1,0,0]=3 3538 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,2,0,0,0,0|1,0,0]=3 3539 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,2,0,0,0,0|1,0,0]=3 3540 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,2,0,0,0,0|1,0,0]=3 3541 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,2,0,0,0,0|1,0,0]=3 3542 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,2,0,0,0,0|1,0,0]=3 3543 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,2,0,0,0,0|1,0,0]=3 3544 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,2,0,0,0,0|1,0,0]=3 3545 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,2,0,0,0,0|1,0,0]=3 3546 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,2,0,0,0,0|1,0,0]=3 3547 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [0,2,0,0,0,0|1,0,0]=3 3548 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [0,2,0,0,0,0|1,0,0]=3 3549 B9R0.45 C=CCCC=NNCCC 4a_100000740057_100011216789 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,2,0,0,0,0|2,0,0]=4 3566 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,2,0,0,0,0|2,0,0]=4 3570 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,2,0,0,0,0|2,0,0]=4 3571 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [0,2,0,0,0,0|2,0,0]=4 3573 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [0,2,0,0,0,0|2,0,0]=4 3575 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,2,0,0,0,0|2,0,0]=4 3584 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,2,0,0,0,0|2,0,0]=4 3585 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [0,2,0,0,0,0|1,1,0]=4 3588 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [0,2,0,0,0,0|1,1,0]=4 3589 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [0,2,0,0,0,0|1,1,0]=4 3590 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,2,0,0,0,0|2,0,0]=4 3591 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,2,0,0,0,0|1,1,0]=4 3592 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,2,0,0,0,0|1,1,0]=4 3593 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,2,0,0,0,0|1,1,0]=4 3594 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,2,0,0,0,0|2,0,0]=4 3595 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,2,0,0,0,0|2,0,0]=4 3596 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,2,0,0,0,0|2,0,0]=4 3598 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,2,0,0,0,0|2,0,0]=4 3599 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,2,0,0,0,0|2,0,0]=4 3600 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [0,2,0,0,0,0|1,0,0]=3 3601 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [0,2,0,0,0,0|1,0,0]=3 3602 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,2,0,0,0,0|1,0,0]=3 3605 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,2,0,0,0,0|1,0,0]=3 3606 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,2,0,0,0,0|2,0,0]=4 3613 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [0,2,0,0,0,0|2,0,0]=4 3616 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,2,0,0,0,0|2,0,0]=4 3620 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,2,0,0,0,0|2,0,0]=4 3621 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,2,0,0,0,0|2,0,0]=4 3624 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,2,0,0,0,0|2,0,0]=4 3626 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [0,2,0,0,0,0|1,1,0]=4 3634 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [0,2,0,0,0,0|1,1,0]=4 3635 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [0,2,0,0,0,0|1,1,0]=4 3636 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,2,0,0,0,0|1,1,0]=4 3637 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,2,0,0,0,0|1,1,0]=4 3638 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,2,0,0,0,0|1,1,0]=4 3639 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,2,0,0,0,0|1,1,0]=4 3640 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,2,0,0,0,0|1,1,0]=4 3641 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,2,0,0,0,0|1,1,0]=4 3642 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,2,0,0,0,0|1,1,0]=4 3643 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,2,0,0,0,0|1,1,0]=4 3644 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,2,0,0,0,0|1,1,0]=4 3645 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,2,0,0,0,0|1,1,0]=4 3646 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,2,0,0,0,0|1,1,0]=4 3647 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,2,0,0,0,0|1,1,0]=4 3648 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,2,0,0,0,0|1,1,0]=4 3649 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,2,0,0,0,0|1,1,0]=4 3650 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,2,0,0,0,0|1,1,0]=4 3651 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,2,0,0,0,0|1,1,0]=4 3652 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,2,0,0,0,0|1,1,0]=4 3653 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,2,0,0,0,0|1,1,0]=4 3654 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,2,0,0,0,0|1,1,0]=4 3655 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [0,2,0,0,0,0|1,0,1]=4 3656 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [0,2,0,0,0,0|1,0,1]=4 3657 B9R0.45 C=CCCCSCC#CC 62a_100000748600_100000757094 [0,2,0,0,0,0|1,0,1]=4 3658 B9R0.45 C=CCCCSCC#CC 62a_100011713584_100000748600 [0,2,0,0,0,0|1,0,1]=4 3659 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [0,2,0,0,0,0|1,0,1]=4 3660 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [0,2,0,0,0,0|1,0,1]=4 3661 B9R0.45 C=CCCCSCCC#N 62a_100011215226_100000757094 [0,2,0,0,0,0|1,0,1]=4 3662 B9R0.45 C=CCCCSCCC#N 62a_100011713584_100011215226 [0,2,0,0,0,0|1,0,1]=4 3663 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [0,2,0,0,0,0|1,0,0]=3 3664 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [0,2,0,0,0,0|1,0,0]=3 3665 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,2,0,0,0,0|1,0,0]=3 3666 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,2,0,0,0,0|1,0,0]=3 3667 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,2,0,0,0,0|1,0,0]=3 3668 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,2,0,0,0,0|1,0,0]=3 3669 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,2,0,0,0,0|1,0,0]=3 3670 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,2,0,0,0,0|1,0,0]=3 3671 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,2,0,0,0,0|1,0,0]=3 3672 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,2,0,0,0,0|1,0,0]=3 3673 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,2,0,0,0,0|1,0,0]=3 3674 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,2,0,0,0,0|1,0,0]=3 3675 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,2,0,0,0,0|1,0,0]=3 3676 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,2,0,0,0,0|1,0,0]=3 3677 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.45 C=CCCNCC#CCC 2230a_100015191253_100009813939 [0,2,0,0,0,0|2,0,0]=4 3679 B9R0.45 C=CCCNCCCC#N 2230a_100015191253_100000687738 [0,2,0,0,0,0|2,0,0]=4 3680 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [0,2,0,0,0,0|2,0,0]=4 3681 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,2,0,0,0,0|2,0,0]=4 3682 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,2,0,0,0,0|2,0,0]=4 3683 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,2,0,0,0,0|2,0,0]=4 3684 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,2,0,0,0,0|2,0,0]=4 3685 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,2,0,0,0,0|2,0,0]=4 3686 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,2,0,0,0,0|2,0,0]=4 3687 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,2,0,0,0,0|2,0,0]=4 3688 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,2,0,0,0,0|2,0,0]=4 3691 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,2,0,0,0,0|2,0,0]=4 3693 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,2,0,0,0,0|2,0,0]=4 3694 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,2,0,0,0,0|2,0,0]=4 3695 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,2,0,0,0,0|1,1,0]=4 3696 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,2,0,0,0,0|1,1,0]=4 3697 B9R0.45 C=CCCOCC#CCC 34a_100000032950_100000754431 [0,2,0,0,0,0|1,1,0]=4 3698 B9R0.45 C=CCCOCC#CCC 34a_100011205117_100009813939 [0,2,0,0,0,0|1,1,0]=4 3699 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,2,0,0,0,0|1,1,0]=4 3700 B9R0.45 C=CCCOCCC#CC 34a_100000750427_100000754431 [0,2,0,0,0,0|1,1,0]=4 3701 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,2,0,0,0,0|1,1,0]=4 3702 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,2,0,0,0,0|1,1,0]=4 3703 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,2,0,0,0,0|1,1,0]=4 3704 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,2,0,0,0,0|1,1,0]=4 3705 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,2,0,0,0,0|1,1,0]=4 3706 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,2,0,0,0,0|1,1,0]=4 3707 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,2,0,0,0,0|1,1,0]=4 3708 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,2,0,0,0,0|1,1,0]=4 3709 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,2,0,0,0,0|1,1,0]=4 3710 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,2,0,0,0,0|1,1,0]=4 3711 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,2,0,0,0,0|1,1,0]=4 3712 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,2,0,0,0,0|1,1,0]=4 3713 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,2,0,0,0,0|1,1,0]=4 3714 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,2,0,0,0,0|1,1,0]=4 3715 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,2,0,0,0,0|1,1,0]=4 3716 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,2,0,0,0,0|1,1,0]=4 3717 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,2,0,0,0,0|1,1,0]=4 3718 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,2,0,0,0,0|1,1,0]=4 3719 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,2,0,0,0,0|1,1,0]=4 3720 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,2,0,0,0,0|1,1,0]=4 3721 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,2,0,0,0,0|1,1,0]=4 3722 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,2,0,0,0,0|1,1,0]=4 3723 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,2,0,0,0,0|1,1,0]=4 3724 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,2,0,0,0,0|1,0,0]=3 3725 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,2,0,0,0,0|1,0,0]=3 3726 B9R0.45 C=CCCSCC#CCC 62a_100000754431_100009813939 [0,2,0,0,0,0|1,0,0]=3 3727 B9R0.45 C=CCCSCC#CCC 62a_100009813939_100000754431 [0,2,0,0,0,0|1,0,0]=3 3728 B9R0.45 C=CCCSCC#CCO 62a_100000754431_200000047223 [0,2,0,0,0,0|1,0,1]=4 3729 B9R0.45 C=CCCSCC#CCO 62a_200000047223_100000754431 [0,2,0,0,0,0|1,0,1]=4 3730 B9R0.45 C=CCCSCCCC#N 62a_100000687738_100000754431 [0,2,0,0,0,0|1,0,0]=3 3731 B9R0.45 C=CCCSCCCC#N 62a_100000754431_100000687738 [0,2,0,0,0,0|1,0,0]=3 3732 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [0,2,0,0,0,0|1,0,0]=3 3733 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [0,2,0,0,0,0|1,0,0]=3 3734 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,2,0,0,0,0|1,0,0]=3 3735 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,2,0,0,0,0|1,0,0]=3 3736 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,2,0,0,0,0|1,0,0]=3 3737 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,2,0,0,0,0|1,0,0]=3 3738 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,2,0,0,0,0|1,0,0]=3 3739 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,2,0,0,0,0|1,0,0]=3 3740 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,2,0,0,0,0|1,0,0]=3 3741 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,2,0,0,0,0|1,0,0]=3 3742 B9R0.45 C=CCCSCCOC=C 62a_100000039644_100000754431 [0,2,0,0,0,0|1,0,1]=4 3743 B9R0.45 C=CCCSCCOC=C 62a_100000754431_100000039644 [0,2,0,0,0,0|1,0,1]=4 3744 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,2,0,0,0,0|1,0,0]=3 3745 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,2,0,0,0,0|1,0,0]=3 3746 B9R0.45 C=CCCSCCSC#N 62a_100000034367_100000754431 [0,2,0,0,0,0|1,0,1]=4 3747 B9R0.45 C=CCCSCCSC#N 62a_100000754431_100000034367 [0,2,0,0,0,0|1,0,1]=4 3748 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,2,0,0,0,0|1,0,0]=3 3749 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,2,0,0,0,0|1,0,0]=3 3750 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,2,0,0,0,0|2,0,0]=4 3751 B9R0.45 C=CCNCCCCC#N 2230a_100020586998_100000211819 [0,2,0,0,0,0|2,0,0]=4 3752 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [0,2,0,0,0,0|2,0,0]=4 3753 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,2,0,0,0,0|2,0,0]=4 3756 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,2,0,0,0,0|2,0,0]=4 3759 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,2,0,0,0,0|2,0,0]=4 3760 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,2,0,0,0,0|2,0,0]=4 3761 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,2,0,0,0,0|2,0,0]=4 3762 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,2,0,0,0,0|1,1,0]=4 3764 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,2,0,0,0,0|1,1,0]=4 3765 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,2,0,0,0,0|1,1,0]=4 3766 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [0,2,0,0,0,0|2,0,0]=4 3769 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,2,0,0,0,0|1,0,0]=3 3770 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [0,2,0,0,0,0|2,0,0]=4 3771 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,2,0,0,0,0|1,1,0]=4 3772 B9R0.45 C=CCNCOCCOC 2230a_100020586998_100000231047 [0,2,0,0,0,0|1,1,0]=4 3773 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,2,0,0,0,0|1,1,0]=4 3774 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,2,0,0,0,0|1,1,0]=4 3775 B9R0.45 C=CCOCC#CCCC 34a_100000034806_100015514636 [0,2,0,0,0,0|1,1,0]=4 3776 B9R0.45 C=CCOCC#CCCC 7a_100000034806_100015514636 [0,2,0,0,0,0|1,1,0]=4 3777 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,2,0,0,0,0|1,1,0]=4 3778 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,2,0,0,0,0|1,1,0]=4 3779 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,2,0,0,0,0|1,1,0]=4 3780 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [0,2,0,0,0,0|1,1,0]=4 3781 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [0,2,0,0,0,0|1,1,0]=4 3782 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [0,2,0,0,0,0|1,1,0]=4 3783 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,2,0,0,0,0|1,1,0]=4 3784 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,2,0,0,0,0|1,1,0]=4 3785 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,2,0,0,0,0|1,1,0]=4 3786 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,2,0,0,0,0|1,1,0]=4 3787 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,2,0,0,0,0|1,1,0]=4 3788 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,2,0,0,0,0|1,1,0]=4 3789 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,2,0,0,0,0|1,1,0]=4 3790 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,2,0,0,0,0|1,1,0]=4 3791 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,2,0,0,0,0|1,1,0]=4 3792 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,2,0,0,0,0|1,1,0]=4 3793 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,2,0,0,0,0|1,1,0]=4 3794 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,2,0,0,0,0|1,1,0]=4 3795 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,2,0,0,0,0|1,1,0]=4 3796 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,2,0,0,0,0|1,1,0]=4 3797 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,2,0,0,0,0|1,1,0]=4 3798 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,2,0,0,0,0|1,1,0]=4 3799 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,2,0,0,0,0|1,1,0]=4 3800 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,2,0,0,0,0|1,1,0]=4 3801 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,2,0,0,0,0|1,1,0]=4 3802 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,2,0,0,0,0|1,1,0]=4 3803 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,2,0,0,0,0|1,1,0]=4 3804 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [0,2,0,0,0,0|1,1,0]=4 3805 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [0,2,0,0,0,0|1,1,0]=4 3806 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,2,0,0,0,0|0,2,0]=4 3807 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,2,0,0,0,0|0,2,0]=4 3808 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,2,0,0,0,0|0,2,0]=4 3809 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,2,0,0,0,0|0,2,0]=4 3810 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,2,0,0,0,0|0,2,0]=4 3811 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [0,2,0,0,0,0|1,1,0]=4 3812 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [0,2,0,0,0,0|1,1,0]=4 3813 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [0,2,0,0,0,0|1,1,0]=4 3814 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [0,2,0,0,0,0|1,1,0]=4 3815 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [0,2,0,0,0,0|1,1,0]=4 3816 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [0,2,0,0,0,0|1,1,0]=4 3817 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [0,2,0,0,0,0|1,1,0]=4 3818 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [0,2,0,0,0,0|1,1,0]=4 3819 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [0,2,0,0,0,0|1,1,0]=4 3820 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,2,0,0,0,0|1,1,0]=4 3821 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,2,0,0,0,0|1,1,0]=4 3822 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,2,0,0,0,0|1,1,0]=4 3823 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [0,2,0,0,0,0|1,1,0]=4 3824 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,2,0,0,0,0|0,1,0]=3 3825 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,2,0,0,0,0|0,1,0]=3 3826 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,2,0,0,0,0|0,2,0]=4 3827 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,2,0,0,0,0|1,0,0]=3 3828 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,2,0,0,0,0|1,0,0]=3 3829 B9R0.45 C=CCSCCCCC#N 62a_100000210623_100000211819 [0,2,0,0,0,0|1,0,0]=3 3830 B9R0.45 C=CCSCCCCC#N 62a_100011219923_100000210623 [0,2,0,0,0,0|1,0,0]=3 3831 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,2,0,0,0,0|1,0,0]=3 3832 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,2,0,0,0,0|1,0,0]=3 3833 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,2,0,0,0,0|1,0,0]=3 3834 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,2,0,0,0,0|1,0,0]=3 3835 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [0,2,0,0,0,0|1,0,0]=3 3836 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [0,2,0,0,0,0|1,0,0]=3 3837 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,2,0,0,0,0|1,0,0]=3 3838 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,2,0,0,0,0|1,0,0]=3 3839 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,2,0,0,0,0|1,0,0]=3 3840 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,2,0,0,0,0|1,0,0]=3 3841 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,2,0,0,0,0|1,0,0]=3 3842 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,2,0,0,0,0|1,0,0]=3 3843 B9R0.45 C=CCSCCOCC#N 62a_100000210623_200000047693 [0,2,0,0,0,0|1,0,1]=4 3844 B9R0.45 C=CCSCCOCC#N 62a_200000047693_100000210623 [0,2,0,0,0,0|1,0,1]=4 3845 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,2,0,0,0,0|0,1,0]=3 3846 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,2,0,0,0,0|0,1,0]=3 3847 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [0,2,0,0,0,0|1,0,0]=3 3848 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [0,2,0,0,0,0|1,0,0]=3 3849 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,2,0,0,0,0|0,1,0]=3 3850 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,2,0,0,0,0|0,1,0]=3 3851 B9R0.45 C=CCSCOCCOC 62a_100000210623_100000231047 [0,2,0,0,0,0|0,1,0]=3 3852 B9R0.45 C=CCSCOCCOC 62a_100000231047_100000210623 [0,2,0,0,0,0|0,1,0]=3 3853 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,2,0,0,0,0|2,0,0]=4 3857 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,2,0,0,0,0|2,0,0]=4 3859 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [0,2,0,0,0,0|2,0,0]=4 3860 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [0,2,0,0,0,0|2,0,0]=4 3861 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [0,2,0,0,0,0|2,0,0]=4 3862 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,2,0,0,0,0|1,1,0]=4 3864 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,2,0,0,0,0|1,1,0]=4 3865 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,2,0,0,0,0|1,1,0]=4 3866 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,2,0,0,0,0|1,1,0]=4 3867 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,2,0,0,0,0|1,1,0]=4 3868 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,2,0,0,0,0|1,1,0]=4 3869 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,2,0,0,0,0|1,1,0]=4 3870 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,2,0,0,0,0|1,1,0]=4 3871 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,2,0,0,0,0|1,1,0]=4 3872 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,2,0,0,0,0|1,1,0]=4 3873 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,2,0,0,0,0|1,1,0]=4 3874 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,2,0,0,0,0|1,1,0]=4 3875 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,2,0,0,0,0|1,1,0]=4 3876 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,2,0,0,0,0|1,1,0]=4 3877 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,2,0,0,0,0|1,1,0]=4 3878 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,2,0,0,0,0|1,1,0]=4 3879 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,2,0,0,0,0|1,1,0]=4 3880 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,2,0,0,0,0|1,1,0]=4 3881 B9R0.45 C=COCCSC/C=C/C 62a_100000039644_100102629194 [0,2,0,0,0,0|1,0,1]=4 3882 B9R0.45 C=COCCSC/C=C/C 62a_100102629194_100000039644 [0,2,0,0,0,0|1,0,1]=4 3883 B9R0.45 C=COCCSCC#CC 62a_100000039644_100000748600 [0,2,0,0,0,0|1,0,1]=4 3884 B9R0.45 C=COCCSCC#CC 62a_100000748600_100000039644 [0,2,0,0,0,0|1,0,1]=4 3885 B9R0.45 C=COCCSCC=CC 62a_100000039644_100000070051 [0,2,0,0,0,0|1,0,1]=4 3886 B9R0.45 C=COCCSCC=CC 62a_100000070051_100000039644 [0,2,0,0,0,0|1,0,1]=4 3887 B9R0.45 C=COCCSCCC#N 62a_100000039644_100011215226 [0,2,0,0,0,0|1,0,1]=4 3888 B9R0.45 C=COCCSCCC#N 62a_100011215226_100000039644 [0,2,0,0,0,0|1,0,1]=4 3889 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,2,0,0,0,0|1,0,0]=3 3890 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,2,0,0,0,0|1,0,0]=3 3891 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [0,2,0,0,0,0|1,0,0]=3 3892 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [0,2,0,0,0,0|1,0,0]=3 3893 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,2,0,0,0,0|1,0,0]=3 3894 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,2,0,0,0,0|1,0,0]=3 3895 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [0,2,0,0,0,0|1,0,0]=3 3896 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [0,2,0,0,0,0|1,0,0]=3 3897 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,2,0,0,0,0|1,0,0]=3 3898 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,2,0,0,0,0|1,0,0]=3 3899 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [0,2,0,0,0,0|1,0,0]=3 3900 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [0,2,0,0,0,0|1,0,0]=3 3901 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,2,0,0,0,0|1,1,0]=4 3902 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,2,0,0,0,0|1,1,0]=4 3903 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,2,0,0,0,0|1,1,0]=4 3904 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,2,0,0,0,0|2,0,0]=4 3905 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,2,0,0,0,0|2,0,0]=4 3906 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,2,0,0,0,0|1,0,0]=3 3907 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,2,0,0,0,0|1,0,0]=3 3908 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,2,0,0,0,0|2,0,0]=4 3909 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,2,0,0,0,0|2,0,0]=4 3912 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,2,0,0,0,0|2,0,0]=4 3913 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [0,2,0,0,0,0|2,0,0]=4 3915 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [0,2,0,0,0,0|2,0,0]=4 3916 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,2,0,0,0,0|2,0,0]=4 3918 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,2,0,0,0,0|1,1,0]=4 3919 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,2,0,0,0,0|1,1,0]=4 3920 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,2,0,0,0,0|1,1,0]=4 3921 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,2,0,0,0,0|1,0,0]=3 3922 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,2,0,0,0,0|1,0,0]=3 3923 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,2,0,0,0,0|2,0,0]=4 3924 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,2,0,0,0,0|2,0,0]=4 3925 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,2,0,0,0,0|2,0,0]=4 3929 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [0,2,0,0,0,0|2,0,0]=4 3930 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [0,2,0,0,0,0|2,0,0]=4 3931 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,2,0,0,0,0|2,0,0]=4 3932 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,2,0,0,0,0|2,0,0]=4 3933 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,2,0,0,0,0|1,1,0]=4 3934 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,2,0,0,0,0|1,1,0]=4 3935 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,2,0,0,0,0|2,0,0]=4 3936 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,2,0,0,0,0|2,0,0]=4 3938 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [0,2,0,0,0,0|2,0,0]=4 3942 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [0,2,0,0,0,0|2,0,0]=4 3943 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,2,0,0,0,0|1,1,0]=4 3944 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,2,0,0,0,0|1,1,0]=4 3945 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,2,0,0,0,0|1,1,0]=4 3946 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,2,0,0,0,0|1,1,0]=4 3947 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,2,0,0,0,0|1,1,0]=4 3948 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,2,0,0,0,0|1,1,0]=4 3949 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,2,0,0,0,0|1,1,0]=4 3950 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,2,0,0,0,0|1,1,0]=4 3951 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,2,0,0,0,0|1,1,0]=4 3952 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [0,2,0,0,0,0|1,1,0]=4 3953 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,2,0,0,0,0|1,1,0]=4 3954 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,2,0,0,0,0|1,1,0]=4 3955 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,2,0,0,0,0|1,1,0]=4 3956 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,2,0,0,0,0|1,1,0]=4 3957 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,2,0,0,0,0|1,1,0]=4 3958 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [0,2,0,0,0,0|1,1,0]=4 3959 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [0,2,0,0,0,0|1,1,0]=4 3960 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [0,2,0,0,0,0|1,0,1]=4 3961 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [0,2,0,0,0,0|1,0,1]=4 3962 B9R0.45 CC=CCSCC#CCC 62a_100000070051_100009813939 [0,2,0,0,0,0|1,0,1]=4 3963 B9R0.45 CC=CCSCC#CCC 62a_100009813939_100000070051 [0,2,0,0,0,0|1,0,1]=4 3964 B9R0.45 CC=CCSCCCC#N 62a_100000070051_100000687738 [0,2,0,0,0,0|1,0,1]=4 3965 B9R0.45 CC=CCSCCCC#N 62a_100000687738_100000070051 [0,2,0,0,0,0|1,0,1]=4 3966 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,2,0,0,0,0|1,0,1]=4 3967 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,2,0,0,0,0|1,0,1]=4 3968 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,2,0,0,0,0|1,0,0]=3 3969 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,2,0,0,0,0|1,0,0]=3 3970 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,2,0,0,0,0|1,0,0]=3 3971 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,2,0,0,0,0|1,0,0]=3 3972 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,2,0,0,0,0|1,0,0]=3 3973 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,2,0,0,0,0|1,0,0]=3 3974 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,2,0,0,0,0|1,0,0]=3 3975 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,2,0,0,0,0|1,0,0]=3 3976 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,2,0,0,0,0|1,0,0]=3 3977 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [0,2,0,0,0,0|1,0,0]=3 3979 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [0,2,0,0,0,0|1,0,0]=3 3980 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,2,0,0,0,0|1,1,0]=4 3983 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,2,0,0,0,0|1,1,0]=4 3984 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,2,0,0,0,0|1,0,1]=4 3985 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,2,0,0,0,0|1,0,1]=4 3986 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,2,0,0,0,0|1,1,0]=4 3987 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,2,0,0,0,0|1,1,0]=4 3988 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,2,0,0,0,0|1,0,1]=4 3989 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,2,0,0,0,0|1,0,1]=4 3990 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,2,0,0,0,0|1,0,1]=4 3991 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,2,0,0,0,0|1,0,1]=4 3992 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,2,0,0,0,0|1,0,1]=4 3993 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,2,0,0,0,0|2,0,0]=4 3994 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,2,0,0,0,0|2,0,0]=4 3995 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,2,0,0,0,0|1,0,1]=4 3996 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,2,0,0,0,0|1,0,1]=4 3997 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [0,2,0,0,0,0|1,1,0]=4 4000 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [0,2,0,0,0,0|1,1,0]=4 4001 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,2,0,0,0,0|1,0,1]=4 4002 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,2,0,0,0,0|1,0,1]=4 4003 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,2,0,0,0,0|1,0,1]=4 4004 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,2,0,0,0,0|1,0,1]=4 4005 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [0,2,0,0,0,0|2,0,0]=4 4007 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,2,0,0,0,0|1,0,1]=4 4010 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,2,0,0,0,0|1,0,1]=4 4011 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,2,0,0,0,0|1,0,1]=4 4012 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,2,0,0,0,0|1,0,1]=4 4013 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,2,0,0,0,0|2,0,0]=4 4014 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,2,0,0,0,0|2,0,0]=4 4015 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,2,0,0,0,0|2,0,0]=4 4016 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,2,0,0,0,0|2,0,0]=4 4017 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,2,0,0,0,0|2,0,0]=4 4018 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,2,0,0,0,0|2,0,0]=4 4019 B9R0.46 C#CCCCSC(C)C=C 62a_100011215867_100011215417 [0,2,0,0,0,0|1,0,1]=4 4020 B9R0.46 C#CCCSCC(O)C=C 62a_100000688953_100000730141 [0,2,0,0,0,0|1,0,1]=4 4021 B9R0.46 C#CCCSCC(O)C=C 62a_100000730141_100000688953 [0,2,0,0,0,0|1,0,1]=4 4022 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [0,2,0,0,0,0|1,1,0]=4 4023 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [0,2,0,0,0,0|1,1,0]=4 4024 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,2,0,0,0,0|1,1,0]=4 4025 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [0,2,0,0,0,0|1,1,0]=4 4026 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [0,2,0,0,0,0|1,1,0]=4 4027 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,2,0,0,0,0|1,0,1]=4 4028 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,2,0,0,0,0|1,0,1]=4 4029 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,2,0,0,0,0|1,0,0]=3 4030 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,2,0,0,0,0|1,0,0]=3 4031 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,2,0,0,0,0|1,0,0]=3 4032 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,2,0,0,0,0|1,0,0]=3 4033 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [0,2,0,0,0,0|2,0,0]=4 4034 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [0,2,0,0,0,0|2,0,0]=4 4035 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,2,0,0,0,0|1,0,0]=3 4036 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,2,0,0,0,0|1,0,0]=3 4037 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [0,2,0,0,0,0|2,0,0]=4 4038 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [0,2,0,0,0,0|2,0,0]=4 4039 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100015614560_100102629194 [0,2,0,0,0,0|2,0,0]=4 4040 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100102629194_100015614560 [0,2,0,0,0,0|2,0,0]=4 4041 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [0,2,0,0,0,0|2,0,0]=4 4042 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [0,2,0,0,0,0|2,0,0]=4 4043 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,2,0,0,0,0|2,0,0]=4 4044 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,2,0,0,0,0|1,1,0]=4 4045 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,2,0,0,0,0|1,0,0]=3 4046 B9R0.46 C=C(C#N)CSCCCF 62a_100011934791_100000694840 [0,2,0,0,0,0|2,0,0]=4 4047 B9R0.46 C=C(C#N)CSCCCO 62a_100011215043_100000694840 [0,2,0,0,0,0|2,0,0]=4 4048 B9R0.46 C=C(C#N)CSCCOC 62a_100000233755_100000694840 [0,2,0,0,0,0|2,0,0]=4 4049 B9R0.46 C=C(C#N)CSCCSC 62a_100000212216_100000694840 [0,2,0,0,0,0|2,0,0]=4 4050 B9R0.46 C=C(C#N)CSCOCC 62a_100000739092_100000694840 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,2,0,0,0,0|1,1,0]=4 4053 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,2,0,0,0,0|1,1,0]=4 4054 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,2,0,0,0,0|1,1,0]=4 4055 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,2,0,0,0,0|1,1,0]=4 4056 B9R0.46 C=CC(C)COCCCF 34a_100011215527_100011934791 [0,2,0,0,0,0|1,1,0]=4 4057 B9R0.46 C=CC(C)COCCCF 7a_100011215527_100011934791 [0,2,0,0,0,0|1,1,0]=4 4058 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [0,2,0,0,0,0|1,1,0]=4 4059 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [0,2,0,0,0,0|1,1,0]=4 4060 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [0,2,0,0,0,0|1,1,0]=4 4061 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [0,2,0,0,0,0|1,1,0]=4 4062 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [0,2,0,0,0,0|1,1,0]=4 4063 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [0,2,0,0,0,0|1,1,0]=4 4064 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,2,0,0,0,0|1,1,0]=4 4065 B9R0.46 C=CC(C)OCCCCF 34a_100000695699_100000729493 [0,2,0,0,0,0|1,1,0]=4 4066 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [0,2,0,0,0,0|1,1,0]=4 4067 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [0,2,0,0,0,0|1,1,0]=4 4068 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [0,2,0,0,0,0|1,1,0]=4 4069 B9R0.46 C=CC(C)OCCSCC 34a_100000695699_100000757381 [0,2,0,0,0,0|1,1,0]=4 4070 B9R0.46 C=CC(C)SC/C=C\CC 62a_100011215867_100103147603 [0,2,0,0,0,0|1,0,1]=4 4071 B9R0.46 C=CC(C)SCC#CCC 62a_100011215867_100009813939 [0,2,0,0,0,0|1,0,1]=4 4072 B9R0.46 C=CC(C)SCCCC#N 62a_100011215867_100000687738 [0,2,0,0,0,0|1,0,1]=4 4073 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [0,2,0,0,0,0|1,0,1]=4 4074 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,2,0,0,0,0|1,0,0]=3 4075 B9R0.46 C=CC(C)SCCCCF 62a_100011215867_100000729493 [0,2,0,0,0,0|1,0,0]=3 4076 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [0,2,0,0,0,0|1,0,0]=3 4077 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [0,2,0,0,0,0|1,0,0]=3 4078 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [0,2,0,0,0,0|1,0,0]=3 4079 B9R0.46 C=CC(C)SCCSCC 62a_100011215867_100000757381 [0,2,0,0,0,0|1,0,0]=3 4080 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,2,0,0,0,0|2,0,0]=4 4082 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,2,0,0,0,0|1,1,0]=4 4087 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,2,0,0,0,0|1,1,0]=4 4088 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,2,0,0,0,0|1,1,0]=4 4089 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,2,0,0,0,0|1,1,0]=4 4090 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,2,0,0,0,0|1,1,0]=4 4091 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,2,0,0,0,0|1,1,0]=4 4092 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,2,0,0,0,0|1,1,0]=4 4093 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,2,0,0,0,0|1,1,0]=4 4094 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,2,0,0,0,0|1,1,0]=4 4095 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [0,2,0,0,0,0|1,0,1]=4 4096 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [0,2,0,0,0,0|1,0,1]=4 4097 B9R0.46 C=CC(O)CSCC#CC 62a_100000730141_100000748600 [0,2,0,0,0,0|1,0,1]=4 4098 B9R0.46 C=CC(O)CSCC#CC 62a_100000748600_100000730141 [0,2,0,0,0,0|1,0,1]=4 4099 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [0,2,0,0,0,0|1,0,1]=4 4100 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [0,2,0,0,0,0|1,0,1]=4 4101 B9R0.46 C=CC(O)CSCCC#N 62a_100000730141_100011215226 [0,2,0,0,0,0|1,0,1]=4 4102 B9R0.46 C=CC(O)CSCCC#N 62a_100011215226_100000730141 [0,2,0,0,0,0|1,0,1]=4 4103 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,2,0,0,0,0|1,0,0]=3 4104 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,2,0,0,0,0|1,0,0]=3 4105 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,2,0,0,0,0|1,0,0]=3 4106 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,2,0,0,0,0|1,0,0]=3 4107 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,2,0,0,0,0|1,0,0]=3 4108 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,2,0,0,0,0|1,0,0]=3 4109 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,2,0,0,0,0|1,0,0]=3 4110 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,2,0,0,0,0|1,0,0]=3 4111 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,2,0,0,0,0|1,0,0]=3 4112 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,2,0,0,0,0|1,0,0]=3 4113 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,2,0,0,0,0|1,0,0]=3 4114 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,2,0,0,0,0|1,0,0]=3 4115 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|2,0,0]=4 4116 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,2,0,0,0,0|2,0,0]=4 4118 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,2,0,0,0,0|2,0,0]=4 4120 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,2,0,0,0,0|2,0,0]=4 4121 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [0,2,0,0,0,0|2,0,0]=4 4122 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [0,2,0,0,0,0|2,0,0]=4 4123 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [0,2,0,0,0,0|2,0,0]=4 4124 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [0,2,0,0,0,0|1,1,0]=4 4125 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [0,2,0,0,0,0|1,1,0]=4 4126 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [0,2,0,0,0,0|1,1,0]=4 4127 B9R0.46 C=CCCCSC(C)C=C 62a_100011215867_100000757094 [0,2,0,0,0,0|1,0,1]=4 4128 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,2,0,0,0,0|1,0,0]=3 4129 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,2,0,0,0,0|1,0,0]=3 4130 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.46 C=CCCCSC(C)OC 62a_100009879195_100000757094 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.46 C=CCCCSC(C)OC 62a_100011713584_100009879195 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,2,0,0,0,0|2,0,0]=4 4134 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,2,0,0,0,0|2,0,0]=4 4135 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [0,2,0,0,0,0|2,0,0]=4 4136 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [0,2,0,0,0,0|2,0,0]=4 4137 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [0,2,0,0,0,0|2,0,0]=4 4138 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,2,0,0,0,0|2,0,0]=4 4140 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.46 C=CCCNC[C@@H](C)OC 2230a_100020591295_100000754431 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.46 C=CCCNC[C@@H](F)CO 34a_100015665980_100000754431 [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,2,0,0,0,0|2,0,0]=4 4148 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,2,0,0,0,0|2,0,0]=4 4149 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,2,0,0,0,0|1,1,0]=4 4150 B9R0.46 C=CCCOCC(C)C=C 34a_100011215527_100000754431 [0,2,0,0,0,0|1,1,0]=4 4151 B9R0.46 C=CCCOCC(C)C=C 7a_100011215527_100000754431 [0,2,0,0,0,0|1,1,0]=4 4152 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [0,2,0,0,0,0|1,1,0]=4 4153 B9R0.46 C=CCCOCC(C)CN 34a_100000744482_100000754431 [0,2,0,0,0,0|1,1,0]=4 4154 B9R0.46 C=CCCOCC(C)OC 34a_100000690652_100000754431 [0,2,0,0,0,0|1,1,0]=4 4155 B9R0.46 C=CCCOCC(Cl)CCl 34a_100000033668_100000754431 [0,2,0,0,0,0|1,1,0]=4 4156 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,2,0,0,0,0|1,1,0]=4 4157 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,2,0,0,0,0|1,1,0]=4 4158 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [0,2,0,0,0,0|1,1,0]=4 4159 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [0,2,0,0,0,0|1,1,0]=4 4160 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,2,0,0,0,0|1,1,0]=4 4161 B9R0.46 C=CCCOC[C@@H](O)CF 34a_100011205117_100015614560 [0,2,0,0,0,0|1,1,0]=4 4162 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,2,0,0,0,0|1,1,0]=4 4163 B9R0.46 C=CCCOC[C@H](F)CN 34a_100015665980_100000754431 [0,2,0,0,0,0|1,1,0]=4 4164 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,2,0,0,0,0|1,0,0]=3 4165 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,2,0,0,0,0|1,0,0]=3 4166 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,2,0,0,0,0|1,0,1]=4 4167 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,2,0,0,0,0|1,0,1]=4 4168 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|1,0,1]=4 4169 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|1,0,1]=4 4170 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,2,0,0,0,0|1,0,0]=3 4171 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,2,0,0,0,0|1,0,0]=3 4172 B9R0.46 C=CCCSCC(O)C=C 62a_100000730141_100000754431 [0,2,0,0,0,0|1,0,1]=4 4173 B9R0.46 C=CCCSCC(O)C=C 62a_100000754431_100000730141 [0,2,0,0,0,0|1,0,1]=4 4174 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,2,0,0,0,0|1,0,0]=3 4175 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,2,0,0,0,0|1,0,0]=3 4176 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,2,0,0,0,0|1,0,0]=3 4177 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,2,0,0,0,0|1,0,0]=3 4178 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,2,0,0,0,0|1,0,0]=3 4180 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,2,0,0,0,0|1,0,0]=3 4181 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,2,0,0,0,0|1,0,0]=3 4182 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100000754431_100015614560 [0,2,0,0,0,0|1,0,0]=3 4183 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100015614560_100000754431 [0,2,0,0,0,0|1,0,0]=3 4184 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,2,0,0,0,0|1,0,0]=3 4185 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,2,0,0,0,0|1,0,0]=3 4186 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [0,2,0,0,0,0|2,0,0]=4 4187 B9R0.46 C=CCNCCC(C)CO 2230a_106354213184_100000210623 [0,2,0,0,0,0|2,0,0]=4 4188 B9R0.46 C=CCNCCC(C)CO 34a_106354213184_100015514636 [0,2,0,0,0,0|2,0,0]=4 4189 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,2,0,0,0,0|1,1,0]=4 4190 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,2,0,0,0,0|1,1,0]=4 4191 B9R0.46 C=CCOCCC(C)OC 7a_100000764861_100015514636 [0,2,0,0,0,0|1,1,0]=4 4192 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|1,0,1]=4 4193 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|1,0,1]=4 4194 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|1,0,1]=4 4195 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|1,0,1]=4 4196 B9R0.46 C=COCCNC(C)CC 2230a_100000209981_100000039644 [0,2,0,0,0,0|2,0,0]=4 4197 B9R0.46 C=COCCOC(C)CC 34a_100000033082_100011215416 [0,2,0,0,0,0|1,1,0]=4 4198 B9R0.46 C=COCCOC(C)CC 7a_100000210228_100000039644 [0,2,0,0,0,0|1,1,0]=4 4199 B9R0.46 C=COCCSC(C)CC 62a_100000039644_100000758301 [0,2,0,0,0,0|1,0,0]=3 4200 B9R0.46 C=COCCSC(C)CC 62a_100000758301_100000039644 [0,2,0,0,0,0|1,0,0]=3 4201 B9R0.46 C=COCCSC(C)CO 62a_100012180447_100000039644 [0,2,0,0,0,0|2,0,0]=4 4202 B9R0.46 C=COCCSC(C)OC 62a_100000039644_100009879195 [0,2,0,0,0,0|2,0,0]=4 4203 B9R0.46 C=COCCSC(C)OC 62a_100009879195_100000039644 [0,2,0,0,0,0|2,0,0]=4 4204 B9R0.46 C=COCCS[C@H](C)CO 62a_100000039644_100016084084 [0,2,0,0,0,0|2,0,0]=4 4205 B9R0.46 C=COCCS[C@H](C)CO 62a_100016084084_100000039644 [0,2,0,0,0,0|2,0,0]=4 4206 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,2,0,0,0,0|1,1,0]=4 4207 B9R0.46 C=C[C@H](N)COCCCF 34a_100016989147_100011934791 [0,2,0,0,0,0|1,1,0]=4 4208 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [0,2,0,0,0,0|1,1,0]=4 4209 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [0,2,0,0,0,0|1,1,0]=4 4210 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [0,2,0,0,0,0|1,1,0]=4 4211 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [0,2,0,0,0,0|2,0,0]=4 4212 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [0,2,0,0,0,0|2,0,0]=4 4213 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [0,2,0,0,0,0|1,1,0]=4 4214 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,2,0,0,0,0|1,0,1]=4 4215 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,2,0,0,0,0|1,0,1]=4 4216 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,2,0,0,0,0|1,0,0]=3 4217 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,2,0,0,0,0|1,0,0]=3 4218 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,2,0,0,0,0|1,0,0]=3 4219 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,2,0,0,0,0|1,0,0]=3 4220 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [0,2,0,0,0,0|2,0,0]=4 4222 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,2,0,0,0,0|1,0,0]=3 4223 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,2,0,0,0,0|1,0,0]=3 4224 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [0,2,0,0,0,0|2,0,0]=4 4225 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100000070051_100015614560 [0,2,0,0,0,0|2,0,0]=4 4227 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100015614560_100000070051 [0,2,0,0,0,0|2,0,0]=4 4228 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [0,2,0,0,0,0|2,0,0]=4 4229 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [0,2,0,0,0,0|2,0,0]=4 4230 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,2,0,0,0,0|1,0,1]=4 4231 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,2,0,0,0,0|1,0,1]=4 4232 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|1,0,1]=4 4233 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|1,0,1]=4 4234 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|1,0,1]=4 4235 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,2,0,0,0,0|1,0,1]=4 4236 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,2,0,0,0,0|1,0,1]=4 4237 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,2,0,0,0,0|1,0,1]=4 4238 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,2,0,0,0,0|1,0,1]=4 4239 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,2,0,0,0,0|1,0,1]=4 4240 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,2,0,0,0,0|1,0,1]=4 4241 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,2,0,0,0,0|1,0,1]=4 4242 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|1,0,1]=4 4243 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|1,0,1]=4 4244 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|1,0,1]=4 4245 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|1,0,1]=4 4246 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|1,0,1]=4 4247 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|1,0,1]=4 4248 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,2,0,0,0,0|1,1,0]=4 4249 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,2,0,0,0,0|1,1,0]=4 4251 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,2,0,0,0,0|1,1,0]=4 4252 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,2,0,0,0,0|1,0,0]=3 4253 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,2,0,0,0,0|1,0,0]=3 4254 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,2,0,0,0,0|2,0,0]=4 4255 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,2,0,0,0,0|2,0,0]=4 4256 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,2,0,0,0,0|2,0,0]=4 4257 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,2,0,0,0,0|2,0,0]=4 4258 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,2,0,0,0,0|2,0,0]=4 4259 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,2,0,0,0,0|2,0,0]=4 4261 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,2,0,0,0,0|1,1,0]=4 4262 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,2,0,0,0,0|1,1,0]=4 4263 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,2,0,0,0,0|1,1,0]=4 4264 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,2,0,0,0,0|1,1,0]=4 4265 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,2,0,0,0,0|1,0,1]=4 4266 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,2,0,0,0,0|1,0,1]=4 4267 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,2,0,0,0,0|1,0,0]=3 4268 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,2,0,0,0,0|1,0,0]=3 4269 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,2,0,0,0,0|1,0,0]=3 4270 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,2,0,0,0,0|1,0,0]=3 4271 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [0,2,0,0,0,0|2,0,0]=4 4272 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [0,2,0,0,0,0|2,0,0]=4 4273 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,2,0,0,0,0|1,0,0]=3 4274 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,2,0,0,0,0|1,0,0]=3 4275 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,2,0,0,0,0|2,0,0]=4 4276 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,2,0,0,0,0|2,0,0]=4 4277 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100000748629_100015614560 [0,2,0,0,0,0|2,0,0]=4 4278 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100015614560_100000211660 [0,2,0,0,0,0|2,0,0]=4 4279 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [0,2,0,0,0,0|2,0,0]=4 4280 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [0,2,0,0,0,0|2,0,0]=4 4281 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,2,0,0,0,0|2,0,0]=4 4282 B9R0.1 C=C(F)CNCC(O)CC 2230a_100011218483_100009893438 [0,2,0,0,0,0|2,0,0]=4 4283 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,2,0,0,0,0|1,1,0]=4 4284 B9R0.1 C=C(F)COCC(O)CC 34a_200010262243_100011218378 [0,2,0,0,0,0|1,1,0]=4 4285 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,2,0,0,0,0|1,1,0]=4 4286 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,2,0,0,0,0|1,1,0]=4 4287 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,2,0,0,0,0|1,0,1]=4 4288 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,2,0,0,0,0|1,0,1]=4 4289 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,2,0,0,0,0|1,0,0]=3 4290 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,2,0,0,0,0|1,0,0]=3 4291 B9R0.1 C=C(F)CSCC(O)CC 62a_100000042424_100011218378 [0,2,0,0,0,0|1,0,0]=3 4292 B9R0.1 C=C(F)CSCC(O)CC 62a_100011218378_100000042424 [0,2,0,0,0,0|1,0,0]=3 4293 B9R0.1 C=C(F)CSCC(O)CO 62a_100000042424_100011219619 [0,2,0,0,0,0|2,0,0]=4 4294 B9R0.1 C=C(F)CSCC(O)CO 62a_100011219619_100000042424 [0,2,0,0,0,0|2,0,0]=4 4295 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,2,0,0,0,0|1,0,0]=3 4296 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,2,0,0,0,0|1,0,0]=3 4297 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000042424_100000059175 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000059175_100000042424 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.1 C=C(F)CSC[C@@H](O)CF 62a_100000042424_100015614560 [0,2,0,0,0,0|2,0,0]=4 4300 B9R0.1 C=C(F)CSC[C@@H](O)CF 62a_100015614560_100000042424 [0,2,0,0,0,0|2,0,0]=4 4301 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100000042424_100009815848 [0,2,0,0,0,0|2,0,0]=4 4302 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100009815848_100000042424 [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [0,2,0,0,0,0|1,1,0]=4 4304 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [0,2,0,0,0,0|1,1,0]=4 4305 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [0,2,0,0,0,0|1,1,0]=4 4306 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [0,2,0,0,0,0|1,1,0]=4 4307 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [0,2,0,0,0,0|1,1,0]=4 4308 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [0,2,0,0,0,0|1,1,0]=4 4309 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,2,0,0,0,0|1,1,0]=4 4310 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,2,0,0,0,0|1,1,0]=4 4311 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [0,2,0,0,0,0|1,0,1]=4 4312 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,2,0,0,0,0|1,0,1]=4 4313 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [0,2,0,0,0,0|1,0,0]=3 4314 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [0,2,0,0,0,0|1,0,0]=3 4315 B9R0.1 C=CC(C)SCCN(C)C 62a_100011215867_100000755713 [0,2,0,0,0,0|2,0,0]=4 4316 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [0,2,0,0,0,0|2,0,0]=4 4317 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,2,0,0,0,0|2,0,0]=4 4318 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,2,0,0,0,0|2,0,0]=4 4319 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,2,0,0,0,0|2,0,0]=4 4320 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,2,0,0,0,0|2,0,0]=4 4321 B9R0.1 C=CC(O)COCC(C)Br 34a_100012180447_100000730141 [0,2,0,0,0,0|1,1,0]=4 4322 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,2,0,0,0,0|1,1,0]=4 4323 B9R0.1 C=CC(O)COCC(C)F 34a_100015925927_100000730141 [0,2,0,0,0,0|1,1,0]=4 4324 B9R0.1 C=CC(O)COC[C@@H](C)Cl 34a_100016084084_100000730141 [0,2,0,0,0,0|1,1,0]=4 4325 B9R0.1 C=CC(O)COC[C@@H](C)N 34a_100000737577_100000730141 [0,2,0,0,0,0|1,1,0]=4 4326 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [0,2,0,0,0,0|1,0,1]=4 4327 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [0,2,0,0,0,0|1,0,1]=4 4328 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,2,0,0,0,0|1,0,0]=3 4329 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,2,0,0,0,0|1,0,0]=3 4330 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [0,2,0,0,0,0|1,0,0]=3 4331 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [0,2,0,0,0,0|1,0,0]=3 4332 B9R0.1 C=CC(O)CSCC(F)F 62a_100000730141_100011934356 [0,2,0,0,0,0|2,0,0]=4 4333 B9R0.1 C=CC(O)CSCC(F)F 62a_100011934356_100000730141 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [0,2,0,0,0,0|1,0,0]=3 4335 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [0,2,0,0,0,0|1,0,0]=3 4336 B9R0.1 C=C[C@H](N)COCC(C)C 34a_100016989147_100000210624 [0,2,0,0,0,0|1,1,0]=4 4337 B9R0.1 C=C[C@H](N)COCC(C)O 34a_100016989147_100011218427 [0,2,0,0,0,0|1,1,0]=4 4338 B9R0.1 C=C[C@H](N)COC[C@@H](C)O 34a_100016989147_100009817552 [0,2,0,0,0,0|1,1,0]=4 4339 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,2,0,0,0,0|2,0,0]=4 4340 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,2,0,0,0,0|2,0,0]=4 4341 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,2,0,0,0,0|2,0,0]=4 4342 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,2,0,0,0,0|2,0,0]=4 4343 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,2,0,0,0,0|1,0,1]=4 4344 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,2,0,0,0,0|1,0,1]=4 4345 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,2,0,0,0,0|2,0,0]=4 4346 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,2,0,0,0,0|2,0,0]=4 4347 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,2,0,0,0,0|2,0,0]=4 4348 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,2,0,0,0,0|2,0,0]=4 4351 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.20 C=CC(C)(C)OCCCC 34a_100011215311_100000210210 [0,2,0,0,0,0|1,1,0]=4 4356 B9R0.20 C=CC(C)(C)OCCCC 7a_100011215311_100000210211 [0,2,0,0,0,0|1,1,0]=4 4357 B9R0.20 C=CC(F)(F)SCCCC 62a_100000210211_100009814244 [0,2,0,0,0,0|1,0,0]=3 4358 B9R0.20 C=CC(F)(F)SCCCC 62a_100009814244_100000210210 [0,2,0,0,0,0|1,0,0]=3 4359 B9R0.20 C=CC(F)(F)SCCCF 62a_100009814244_100011934791 [0,2,0,0,0,0|2,0,0]=4 4360 B9R0.20 C=CC(F)(F)SCCCF 62a_100011934791_100009814244 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.20 C=CC(F)(F)SCCCO 62a_100009814244_100011215043 [0,2,0,0,0,0|2,0,0]=4 4362 B9R0.20 C=CC(F)(F)SCCCO 62a_100011215043_100009814244 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.20 C=CC(F)(F)SCCOC 62a_100000233755_100009814244 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.20 C=CC(F)(F)SCCOC 62a_100009814244_100000233755 [0,2,0,0,0,0|2,0,0]=4 4365 B9R0.20 C=CC(F)(F)SCCSC 62a_100000212216_100009814244 [0,2,0,0,0,0|2,0,0]=4 4366 B9R0.20 C=CC(F)(F)SCCSC 62a_100009814244_100000751147 [0,2,0,0,0,0|2,0,0]=4 4367 B9R0.20 C=CC(F)(F)SCOCC 62a_100000739092_100009814244 [0,2,0,0,0,0|2,0,0]=4 4368 B9R0.20 C=CC(F)(F)SCOCC 62a_100009814244_100000739092 [0,2,0,0,0,0|2,0,0]=4 4369 B9R0.20 C=CCCNC(C)(C)CC 2230a_100000211385_100000754431 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.20 C=CCCOC(C)(C)CC 7a_100000210230_100000754431 [0,2,0,0,0,0|1,1,0]=4 4371 B9R0.20 C=CCCSC(C)(C)CC 62a_100000032637_100000754431 [0,2,0,0,0,0|1,0,0]=3 4372 B9R0.20 C=CCCSC(C)(C)CC 62a_100000754431_100000032637 [0,2,0,0,0,0|1,0,0]=3 4373 B9R0.20 C=CCCSC(F)(F)CO 62a_100000754431_100011217949 [0,2,0,0,0,0|2,0,0]=4 4374 B9R0.20 C=CCCSC(F)(F)CO 62a_100011217949_100000754431 [0,2,0,0,0,0|2,0,0]=4 4375 B9R0.20 C=CCOCC(C)(C)CC 7a_100000765029_100015514636 [0,2,0,0,0,0|1,1,0]=4 4376 B9R0.20 C=CCSCC(C)(C)CO 62a_100000210623_100009813988 [0,2,0,0,0,0|2,0,0]=4 4377 B9R0.20 C=CCSCC(C)(C)CO 62a_100009813988_100000210623 [0,2,0,0,0,0|2,0,0]=4 4378 B9R0.20 C=CCSCC(C)(C)OC 62a_100000210623_100000701081 [0,2,0,0,0,0|2,0,0]=4 4379 B9R0.20 C=CCSCC(C)(C)OC 62a_100000701081_100000210623 [0,2,0,0,0,0|2,0,0]=4 4380 B9R0.20 C=C[Si](C)(C)CSCCC 62a_100000038793_100000210303 [0,2,0,0,0,0|1,1,0]=4 4381 B9R0.20 C=C[Si](C)(C)CSCCC 62a_100000210303_100000038793 [0,2,0,0,0,0|1,1,0]=4 4382 B9R0.24 C=CC(C)COC(C)CC 34a_100011215527_100011215416 [0,2,0,0,0,0|1,1,0]=4 4383 B9R0.24 C=CC(C)COC(C)CC 7a_100011215527_100000758301 [0,2,0,0,0,0|1,1,0]=4 4384 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [0,2,0,0,0,0|1,1,0]=4 4385 B9R0.24 C=CC(C)OCC(O)CC 34a_100000695699_100011218378 [0,2,0,0,0,0|1,1,0]=4 4386 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [0,2,0,0,0,0|1,1,0]=4 4387 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [0,2,0,0,0,0|1,0,1]=4 4388 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,2,0,0,0,0|1,0,0]=3 4389 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [0,2,0,0,0,0|1,0,0]=3 4390 B9R0.24 C=CC(C)SCC(O)CO 62a_100011215867_100011219619 [0,2,0,0,0,0|2,0,0]=4 4391 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,2,0,0,0,0|1,0,0]=3 4392 B9R0.24 C=CC(C)SC[C@@H](C)CO 62a_100011215867_100000059175 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.24 C=CC(C)SC[C@@H](O)CF 62a_100011215867_100015614560 [0,2,0,0,0,0|2,0,0]=4 4394 B9R0.24 C=CC(C)SC[C@@H](O)CO 62a_100011215867_100009815848 [0,2,0,0,0,0|2,0,0]=4 4395 B9R0.24 C=CC(O)CNC(C)CC 2230a_100000209981_100000730141 [0,2,0,0,0,0|2,0,0]=4 4396 B9R0.24 C=CC(O)COC(C)CC 7a_100000210228_100000730141 [0,2,0,0,0,0|1,1,0]=4 4397 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,2,0,0,0,0|1,0,0]=3 4398 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,2,0,0,0,0|1,0,0]=3 4399 B9R0.24 C=CC(O)CSC(C)CO 62a_100012180447_100000730141 [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.24 C=CC(O)CSC(C)OC 62a_100000730141_100009879195 [0,2,0,0,0,0|2,0,0]=4 4401 B9R0.24 C=CC(O)CSC(C)OC 62a_100009879195_100000730141 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100000730141_100016084084 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100016084084_100000730141 [0,2,0,0,0,0|2,0,0]=4 4404 B9R0.24 C=C[C@H](N)COC(C)CC 34a_100016989147_100011215416 [0,2,0,0,0,0|1,1,0]=4 4405 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,2,0,0,0,0|2,0,0]=4 4406 B9R0.47 C=CCCNC(C)C(C)C 2230a_100000211541_100000754431 [0,2,0,0,0,0|2,0,0]=4 4407 B9R0.47 C=CCCOC(C)C(C)C 7a_100000748068_100000754431 [0,2,0,0,0,0|1,1,0]=4 4408 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,2,0,0,0,0|1,0,1]=4 4409 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,2,0,0,0,0|1,0,1]=4 4410 B9R0.47 C=CCNCC(O)C(C)C 2230a_100000759067_100000210623 [0,2,0,0,0,0|2,0,0]=4 4411 B9R0.47 C=CCNCC(O)C(C)C 34a_100000759067_100015514636 [0,2,0,0,0,0|2,0,0]=4 4412 B9R0.47 C=CCOC[C@H](N)C(C)C 34a_100011830312_100015514636 [0,2,0,0,0,0|1,1,0]=4 4413 B9R0.47 C=CCSCC(=O)C(C)C 1458a_100000230395_100000210206 [0,2,0,0,0,0|1,0,1]=4 4414 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000210623_100000753385 [0,2,0,0,0,0|1,0,1]=4 4415 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000753385_100000210623 [0,2,0,0,0,0|1,0,1]=4 4416 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,2,0,0,0,0|1,0,1]=4 4417 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,2,0,0,0,0|1,0,1]=4 4418 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,2,0,0,0,0|1,0,1]=4 4419 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,2,0,0,0,0|2,0,0]=4 4420 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,2,0,0,0,0|2,0,0]=4 4421 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,2,0,0,0,0|1,0,1]=4 4422 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,2,0,0,0,0|2,0,0]=4 4423 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,2,0,0,0,0|2,0,0]=4 4424 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,2,0,0,0,0|2,0,0]=4 4425 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,2,0,0,0,0|2,0,0]=4 4426 B9R0.50 C#CC(CC)OCCC=C 34a_100000758843_100000754431 [0,2,0,0,0,0|1,1,0]=4 4427 B9R0.50 C#CC(CC)OCCC=C 7a_100000758843_100000754431 [0,2,0,0,0,0|1,1,0]=4 4428 B9R0.50 C=CC(C=C)OCCCC 34a_100000033096_100000210210 [0,2,0,0,0,0|1,1,0]=4 4429 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,2,0,0,0,0|1,1,0]=4 4430 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,2,0,0,0,0|1,1,0]=4 4431 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4432 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4433 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,2,0,0,0,0|2,0,0]=4 4434 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,2,0,0,0,0|2,0,0]=4 4435 B9R0.50 C=CCCNC(CC)CC 2230a_100000199018_100000754431 [0,2,0,0,0,0|2,0,0]=4 4436 B9R0.50 C=CCCNC(CC)CC 270004a_100015191253_100000210860 [0,2,0,0,0,0|2,0,0]=4 4437 B9R0.50 C=CCCN[C@@H](CC)CO 2230a_100000709445_100000754431 [0,2,0,0,0,0|2,0,0]=4 4438 B9R0.50 C=CCCOC(C=C)CC 34a_100000766422_100000754431 [0,2,0,0,0,0|1,1,0]=4 4439 B9R0.50 C=CCCOC(C=C)CC 7a_100000766422_100000754431 [0,2,0,0,0,0|1,1,0]=4 4440 B9R0.50 C=CCCOC(CC)CC 7a_100000688536_100000754431 [0,2,0,0,0,0|1,1,0]=4 4441 B9R0.50 C=CCCSC(CC)CC 62a_100000210505_100000754431 [0,2,0,0,0,0|1,0,0]=3 4442 B9R0.50 C=CCCSC(CC)CC 62a_100000754431_100000210505 [0,2,0,0,0,0|1,0,0]=3 4443 B9R0.50 C=CCNCC(CC)CC 2230a_100020586998_100011215472 [0,2,0,0,0,0|2,0,0]=4 4444 B9R0.50 C=CCNCC(CC)CC 2230a_100102946423_100000210623 [0,2,0,0,0,0|2,0,0]=4 4445 B9R0.50 C=CCNCC(CC)CC 270004a_100020586998_100000211137 [0,2,0,0,0,0|2,0,0]=4 4446 B9R0.50 C=CCOCC(CC)CC 34a_200000210373_100011215472 [0,2,0,0,0,0|1,1,0]=4 4447 B9R0.50 C=CCOCC(CC)CC 7a_100000703878_100015514636 [0,2,0,0,0,0|1,1,0]=4 4448 B9R0.50 C=CCOCC(CC)OC 34a_100011934954_100015514636 [0,2,0,0,0,0|1,1,0]=4 4449 B9R0.50 C=CCOCC(CC)OC 7a_100011934954_100015514636 [0,2,0,0,0,0|1,1,0]=4 4450 B9R0.50 C=CCSCC(CC)CC 62a_100000210623_100011215472 [0,2,0,0,0,0|1,0,0]=3 4451 B9R0.50 C=CCSCC(CC)CC 62a_100011215472_100000210623 [0,2,0,0,0,0|1,0,0]=3 4452 B9R0.50 C=CCSCC(OC)OC 62a_100000210623_100000751394 [0,2,0,0,0,0|2,0,0]=4 4453 B9R0.50 C=CCSCC(OC)OC 62a_100000751394_100000210623 [0,2,0,0,0,0|2,0,0]=4 4454 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [0,2,0,0,0,0|2,0,0]=4 4455 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [0,2,0,0,0,0|2,0,0]=4 4456 B9R0.50 CCC(CC)CSCC=O 62a_100011215472_200015260668 [0,2,0,0,0,0|2,0,0]=4 4457 B9R0.50 CCC(CC)CSCC=O 62a_200015260668_100011215472 [0,2,0,0,0,0|2,0,0]=4 4458 B9R0.50 CCCCSC(C=O)C=O 62a_100000210211_100000736813 [0,2,0,0,0,0|2,0,0]=4 4459 B9R0.50 CCCCSC(C=O)C=O 62a_100000736813_100000210210 [0,2,0,0,0,0|2,0,0]=4 4460 B9R0.38 C=CCCNCC(C)(C)C 2230a_100000743828_100000754431 [0,2,0,0,0,0|2,0,0]=4 4461 B9R0.38 C=CCCNCC(C)(C)C 270004a_100015191253_100011204126 [0,2,0,0,0,0|2,0,0]=4 4462 B9R0.38 C=CCCNCC(C)(C)F 2230a_100020643315_100000754431 [0,2,0,0,0,0|2,0,0]=4 4463 B9R0.38 C=CCCNCC(C)(C)O 2230a_100000751335_100000754431 [0,2,0,0,0,0|2,0,0]=4 4464 B9R0.38 C=CCCOCC(C)(C)C 34a_100011205117_100011219605 [0,2,0,0,0,0|1,1,0]=4 4465 B9R0.38 C=CCCOCC(C)(C)F 34a_100000716592_100000754431 [0,2,0,0,0,0|1,1,0]=4 4466 B9R0.38 C=CCCOCC(C)(C)F 34a_100011205117_100011997219 [0,2,0,0,0,0|1,1,0]=4 4467 B9R0.38 C=CCCOCC(C)(C)O 34a_100011205117_100000764493 [0,2,0,0,0,0|1,1,0]=4 4468 B9R0.38 C=CCCOCC(C)(F)F 34a_100000068830_100000754431 [0,2,0,0,0,0|1,1,0]=4 4469 B9R0.38 C=CCCSCC(C)(C)C 62a_100000754431_100011219605 [0,2,0,0,0,0|1,0,0]=3 4470 B9R0.38 C=CCCSCC(C)(C)C 62a_100011219605_100000754431 [0,2,0,0,0,0|1,0,0]=3 4471 B9R0.38 C=CCCSCC(C)(C)F 62a_100000754431_100011997219 [0,2,0,0,0,0|1,0,0]=3 4472 B9R0.38 C=CCCSCC(C)(C)F 62a_100011997219_100000754431 [0,2,0,0,0,0|1,0,0]=3 4473 B9R0.38 C=CCCSCC(C)(C)O 62a_100000754431_100000764493 [0,2,0,0,0,0|1,0,0]=3 4474 B9R0.38 C=CCCSCC(C)(C)O 62a_100000764493_100000754431 [0,2,0,0,0,0|1,0,0]=3 4475 B9R0.38 C=CCCSCC(F)(F)F 62a_100000754431_100000763148 [0,2,0,0,0,0|2,0,0]=4 4476 B9R0.38 C=CCCSCC(F)(F)F 62a_100000763148_100000754431 [0,2,0,0,0,0|2,0,0]=4 4477 B9R0.38 C=CCCSC[N+](C)(C)C 62a_100000754431_200000036245 [0,2,0,0,0,0|2,0,0]=4 4478 B9R0.38 C=CCCSC[N+](C)(C)C 62a_200000036245_100000754431 [0,2,0,0,0,0|2,0,0]=4 4479 B9R0.38 C=CCCSC[Si](C)(C)C 62a_100000037933_100000754431 [0,2,0,0,0,0|1,1,0]=4 4480 B9R0.38 C=CCCSC[Si](C)(C)C 62a_100000754431_100000037933 [0,2,0,0,0,0|1,1,0]=4 4481 B9R0.38 C=CCNCCC(C)(C)C 2230a_100000738805_100000210623 [0,2,0,0,0,0|2,0,0]=4 4482 B9R0.38 C=CCNCCC(C)(C)C 2230a_100020586998_100000755188 [0,2,0,0,0,0|2,0,0]=4 4483 B9R0.38 C=CCNCCC(C)(C)F 2230a_100016253952_100000210623 [0,2,0,0,0,0|2,0,0]=4 4484 B9R0.38 C=CCNCCC(C)(C)O 2230a_100020586998_100000702414 [0,2,0,0,0,0|2,0,0]=4 4485 B9R0.38 C=CCOCCC(C)(C)C 34a_200000210373_100000755188 [0,2,0,0,0,0|1,1,0]=4 4486 B9R0.38 C=CCOCCC(C)(C)C 7a_100000765024_100015514636 [0,2,0,0,0,0|1,1,0]=4 4487 B9R0.38 C=CCOCCC(C)(C)O 34a_200000210373_100000702414 [0,2,0,0,0,0|1,1,0]=4 4488 B9R0.38 C=CCSCCC(C)(C)C 62a_100000210623_100000755188 [0,2,0,0,0,0|1,0,0]=3 4489 B9R0.38 C=CCSCCC(C)(C)C 62a_100000755188_100000210623 [0,2,0,0,0,0|1,0,0]=3 4490 B9R0.38 C=CCSCCC(C)(C)O 62a_100000210623_100000702414 [0,2,0,0,0,0|1,0,0]=3 4491 B9R0.38 C=CCSCCC(C)(C)O 62a_100000702414_100000210623 [0,2,0,0,0,0|1,0,0]=3 4492 B9R0.38 C=CCSCCC(F)(F)F 62a_100000210623_100011219754 [0,2,0,0,0,0|2,0,0]=4 4493 B9R0.38 C=CCSCCC(F)(F)F 62a_100011219754_100000210623 [0,2,0,0,0,0|2,0,0]=4 4494 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000210623_100000230027 [0,2,0,0,0,0|2,0,0]=4 4495 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000731031_100000210623 [0,2,0,0,0,0|2,0,0]=4 4496 B9R0.38 C=CCSCC[N+](C)(C)C 62a_100000085578_100000210623 [0,2,0,0,0,0|2,0,0]=4 4497 B9R0.38 C=CCSCC[N+](C)(C)C 62a_100000210623_100000085578 [0,2,0,0,0,0|2,0,0]=4 4498 B9R0.38 C=CCSCC[Si](C)(C)C 62a_100000210623_200000733723 [0,2,0,0,0,0|1,1,0]=4 4499 B9R0.38 C=CCSCC[Si](C)(C)C 62a_200000733723_100000210623 [0,2,0,0,0,0|1,1,0]=4 4500 B9R0.38 CC(C)(C)CCSCC=O 62a_100000755188_200015260668 [0,2,0,0,0,0|2,0,0]=4 4501 B9R0.38 CC(C)(C)CCSCC=O 62a_200015260668_100000755188 [0,2,0,0,0,0|2,0,0]=4 4502 B9R0.38 CC(C)(O)CCSCC=O 62a_100000702414_200015260668 [0,2,0,0,0,0|2,0,0]=4 4503 B9R0.38 CC(C)(O)CCSCC=O 62a_200015260668_100000702414 [0,2,0,0,0,0|2,0,0]=4 4504 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,2,0,0,0,0|1,1,0]=4 4505 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,2,0,0,0,0|1,1,0]=4 4506 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,2,0,0,0,0|1,1,0]=4 4507 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,2,0,0,0,0|2,0,0]=4 4508 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,2,0,0,0,0|2,0,0]=4 4509 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,2,0,0,0,0|2,0,0]=4 4510 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,2,0,0,0,0|2,0,0]=4 4511 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,2,0,0,0,0|1,1,0]=4 4512 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,2,0,0,0,0|1,1,0]=4 4513 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,2,0,0,0,0|1,1,0]=4 4514 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,2,0,0,0,0|1,1,0]=4 4515 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,2,0,0,0,0|1,1,0]=4 4516 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,2,0,0,0,0|1,1,0]=4 4517 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,2,0,0,0,0|1,1,0]=4 4518 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,2,0,0,0,0|1,1,0]=4 4519 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [0,2,0,0,0,0|1,0,1]=4 4520 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [0,2,0,0,0,0|1,0,1]=4 4521 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000042424_100000730704 [0,2,0,0,0,0|1,0,1]=4 4522 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000730704_100000042424 [0,2,0,0,0,0|1,0,1]=4 4523 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,2,0,0,0,0|1,0,0]=3 4524 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,2,0,0,0,0|1,0,0]=3 4525 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,2,0,0,0,0|1,0,0]=3 4526 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,2,0,0,0,0|1,0,0]=3 4527 B9R0.55 C=C(C)CCSCC(F)F 62a_100000730704_100011934356 [0,2,0,0,0,0|2,0,0]=4 4528 B9R0.55 C=C(C)CCSCC(F)F 62a_100011934356_100000730704 [0,2,0,0,0,0|2,0,0]=4 4529 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,2,0,0,0,0|1,0,0]=3 4530 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,2,0,0,0,0|1,0,0]=3 4531 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,2,0,0,0,0|2,0,0]=4 4532 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,2,0,0,0,0|1,1,0]=4 4533 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,2,0,0,0,0|1,1,0]=4 4534 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,2,0,0,0,0|1,1,0]=4 4535 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,2,0,0,0,0|1,1,0]=4 4536 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,2,0,0,0,0|1,1,0]=4 4537 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,2,0,0,0,0|1,1,0]=4 4538 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,2,0,0,0,0|1,0,1]=4 4539 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,2,0,0,0,0|1,0,1]=4 4540 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,2,0,0,0,0|1,0,0]=3 4541 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,2,0,0,0,0|1,0,0]=3 4542 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,2,0,0,0,0|1,0,0]=3 4543 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,2,0,0,0,0|1,0,0]=3 4544 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [0,2,0,0,0,0|2,0,0]=4 4545 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,2,0,0,0,0|2,0,0]=4 4546 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,2,0,0,0,0|2,0,0]=4 4547 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,2,0,0,0,0|2,0,0]=4 4548 B9R0.55 C=C(F)COCCC(C)Br 34a_100009893172_100009893438 [0,2,0,0,0,0|1,1,0]=4 4549 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,2,0,0,0,0|1,1,0]=4 4550 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,2,0,0,0,0|1,1,0]=4 4551 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,2,0,0,0,0|1,1,0]=4 4552 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,2,0,0,0,0|1,1,0]=4 4553 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,2,0,0,0,0|1,1,0]=4 4554 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,2,0,0,0,0|1,0,1]=4 4555 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,2,0,0,0,0|1,0,1]=4 4556 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,2,0,0,0,0|1,0,0]=3 4557 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,2,0,0,0,0|1,0,0]=3 4558 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,2,0,0,0,0|1,0,0]=3 4559 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,2,0,0,0,0|1,0,0]=3 4560 B9R0.55 C=C(F)CSCCN(C)C 62a_100000042424_100000755713 [0,2,0,0,0,0|2,0,0]=4 4561 B9R0.55 C=C(F)CSCOC(C)C 62a_100000042424_100000709892 [0,2,0,0,0,0|2,0,0]=4 4562 B9R0.55 C=C(F)CSCOC(C)C 62a_100000709892_100000042424 [0,2,0,0,0,0|2,0,0]=4 4563 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,2,0,0,0,0|1,0,1]=4 4564 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,2,0,0,0,0|1,0,1]=4 4565 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,2,0,0,0,0|1,0,1]=4 4566 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,2,0,0,0,0|1,0,1]=4 4567 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,2,0,0,0,0|1,0,1]=4 4568 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,2,0,0,0,0|1,0,1]=4 4569 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,2,0,0,0,0|2,0,0]=4 4570 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,2,0,0,0,0|2,0,0]=4 4571 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,2,0,0,0,0|2,0,0]=4 4572 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,2,0,0,0,0|2,0,0]=4 4573 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,2,0,0,0,0|2,0,0]=4 4577 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,2,0,0,0,0|2,0,0]=4 4578 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,2,0,0,0,0|2,0,0]=4 4580 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,2,0,0,0,0|2,0,0]=4 4581 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,2,0,0,0,0|2,0,0]=4 4582 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,2,0,0,0,0|2,0,0]=4 4583 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [1,0,0,1,0,0|1,0,0]=3 4584 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,1,0,0|1,0,1]=4 4585 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [1,0,0,1,0,0|2,0,0]=4 4586 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|2,0,0]=4 4587 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [1,0,0,1,0,0|0,0,2]=4 4588 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [1,0,0,1,0,0|1,0,0]=3 4589 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [1,0,0,1,0,0|0,1,0]=3 4590 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [1,0,0,1,0,0|0,0,0]=2 4591 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [1,0,0,1,0,0|0,0,2]=4 4592 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|1,0,1]=4 4593 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|1,0,1]=4 4594 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [1,0,0,1,0,0|1,0,1]=4 4595 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [1,0,0,1,0,0|1,0,1]=4 4596 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [1,0,0,1,0,0|1,0,1]=4 4597 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [1,0,0,1,0,0|2,0,0]=4 4598 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [1,0,0,1,0,0|2,0,0]=4 4599 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [1,0,0,1,0,0|1,0,1]=4 4600 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|2,0,0]=4 4601 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|1,0,0]=3 4602 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [1,0,0,1,0,0|1,0,1]=4 4603 B9R1.7 C=CCN1CCC(C1)O 2230a_100011215560_100000210623 [0,1,0,1,0,0|2,0,0]=4 4604 B9R1.7 C=CCN1CCC(C1)O 269982a_100011215560_100000210623 [0,1,0,1,0,0|2,0,0]=4 4605 B9R1.7 C=CCN1CC[C@@H](C1)F 2230a_100015203821_100000210623 [0,1,0,1,0,0|2,0,0]=4 4606 B9R1.7 C=CCN1CC[C@@H](C1)F 269982a_100015203821_100000210623 [0,1,0,1,0,0|2,0,0]=4 4607 B9R1.7 C=CCN1CC[C@@H](C1)F 34a_100015203821_100015514636 [0,1,0,1,0,0|2,0,0]=4 4608 B9R1.7 C=CCN1CC[C@H](C1)C 2230a_100016987628_100000210623 [0,1,0,1,0,0|2,0,0]=4 4609 B9R1.7 C=CCN1CC[C@H](C1)C 269982a_100016987628_100000210623 [0,1,0,1,0,0|2,0,0]=4 4610 B9R1.7 C=CCN1CC[C@H](C1)C 34a_100016987628_100015514636 [0,1,0,1,0,0|2,0,0]=4 4611 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,1,0,0|1,0,1]=4 4612 B9R1.8 C=CCN1CCCOC1 2230a_100000131196_100000210623 [0,1,0,1,0,0|1,1,0]=4 4613 B9R1.8 C=CCN1CCCOC1 269982a_100000131196_100000210623 [0,1,0,1,0,0|1,1,0]=4 4614 B9R1.8 C=CCN1CCCOC1 34a_100000131196_100015514636 [0,1,0,1,0,0|1,1,0]=4 4615 B9R1.8 C=CCN1CCOCC1 2230a_100015191051_100000210623 [0,1,0,1,0,0|2,0,0]=4 4616 B9R1.8 C=CCN1CCOCC1 269982a_100015191051_100000210623 [0,1,0,1,0,0|2,0,0]=4 4617 B9R1.8 C=CCN1CCOCC1 34a_100015191051_100015514636 [0,1,0,1,0,0|2,0,0]=4 4618 B9R1.8 C=CCN1CCSCC1 2230a_100000737611_100000210623 [0,1,0,1,0,0|2,0,0]=4 4619 B9R1.8 C=CCN1CCSCC1 269982a_100000737611_100000210623 [0,1,0,1,0,0|2,0,0]=4 4620 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [0,1,0,1,0,0|2,0,0]=4 4621 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [0,1,0,1,0,0|2,0,0]=4 4622 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [0,1,0,1,0,0|2,0,0]=4 4623 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,1,0,1,0,0|2,0,0]=4 4624 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,1,0,1,0,0|2,0,0]=4 4625 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,1,0,1,0,0|2,0,0]=4 4626 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,1,0,1,0,0|2,0,0]=4 4627 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,1,0,1,0,0|2,0,0]=4 4628 B9R1.9 C=CCCN1CC(C1)C 2230a_100000702820_100000754431 [0,1,0,1,0,0|2,0,0]=4 4629 B9R1.9 C=CCCN1CC(C1)C 269982a_100000702820_100000754431 [0,1,0,1,0,0|2,0,0]=4 4630 B9R1.9 C=CCCN1CC(C1)C 34a_100000702820_100000754431 [0,1,0,1,0,0|2,0,0]=4 4631 B9R1.9 C=CCCN1CC(C1)F 2230a_100000690557_100000754431 [0,1,0,1,0,0|2,0,0]=4 4632 B9R1.9 C=CCCN1CC(C1)F 269982a_100000690557_100000754431 [0,1,0,1,0,0|2,0,0]=4 4633 B9R1.9 C=CCCN1CC(C1)F 34a_100000690557_100000754431 [0,1,0,1,0,0|2,0,0]=4 4634 B9R1.9 C=CCCN1CC(C1)O 269982a_100000749847_100000754431 [0,1,0,1,0,0|2,0,0]=4 4635 B9R1.9 C=CCNC1CC(C1)F 2230a_100016993743_100000210623 [0,1,0,1,0,0|2,0,0]=4 4636 B9R1.9 C=CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210623 [0,1,0,1,0,0|2,0,0]=4 4637 B9R1.9 C=CCSC1CC(=O)C1 62a_100009894365_100000210623 [0,1,0,1,0,0|1,0,1]=4 4638 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,1,0,1,0,0|1,0,1]=4 4639 B9R1.12 C/C=C/CN1CCCC1 269982a_100000188435_100102629194 [0,1,0,1,0,0|2,0,0]=4 4640 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [0,1,0,1,0,0|2,0,0]=4 4641 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [0,1,0,1,0,0|2,0,0]=4 4642 B9R1.12 C=CCCN1CCSC1 2230a_100011215254_100000754431 [0,1,0,1,0,0|2,0,0]=4 4643 B9R1.12 C=CCCN1CCSC1 269982a_100011215254_100000754431 [0,1,0,1,0,0|2,0,0]=4 4644 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [0,1,0,1,0,0|2,0,0]=4 4645 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [0,1,0,1,0,0|2,0,0]=4 4646 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [0,1,0,1,0,0|2,0,0]=4 4647 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [0,1,0,1,0,0|2,0,0]=4 4648 B9R1.12 C=CCNC1CCOC1 2230a_100020586998_100000731011 [0,1,0,1,0,0|2,0,0]=4 4649 B9R1.12 C=CCNC1CCOC1 270004a_100020586998_100000752484 [0,1,0,1,0,0|2,0,0]=4 4650 B9R1.12 C=CCNC1CCSC1 270004a_100020586998_100000212027 [0,1,0,1,0,0|2,0,0]=4 4651 B9R1.12 C=CCN[C@@H]1CCOC1 2230a_200015188469_100000210623 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.12 C=CCN[C@H]1CCOC1 2230a_100015188467_100000210623 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.12 C=CCN[C@H]1CCOC1 34a_100015188467_100015514636 [0,1,0,1,0,0|2,0,0]=4 4654 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,1,0,1,0,0|1,1,0]=4 4655 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,1,0,1,0,0|1,1,0]=4 4656 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,1,0,1,0,0|1,1,0]=4 4657 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [0,1,0,1,0,0|0,2,0]=4 4658 B9R1.12 C=CCOC1CCOC1 34a_200000210373_100000690089 [0,1,0,1,0,0|1,1,0]=4 4659 B9R1.12 C=CCOC1CCSC1 7a_100011232664_100015514636 [0,1,0,1,0,0|1,1,0]=4 4660 B9R1.12 C=CCO[C@H]1CCOC1 34a_100000717292_100015514636 [0,1,0,1,0,0|1,1,0]=4 4661 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,1,0,1,0,0|1,0,0]=3 4662 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,1,0,1,0,0|1,0,0]=3 4663 B9R1.12 C=CCSC1CCOC1 62a_100000210623_100000690089 [0,1,0,1,0,0|1,0,0]=3 4664 B9R1.12 CC=CCN1CCCC1 2230a_100000188435_100000070051 [0,1,0,1,0,0|2,0,0]=4 4665 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [0,1,0,1,0,0|2,0,0]=4 4666 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,1,0,1,0,0|1,0,1]=4 4667 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [0,1,0,1,0,0|2,0,0]=4 4668 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,1,0,1,0,0|2,0,0]=4 4669 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,1,0,1,0,0|2,0,0]=4 4670 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,1,0,1,0,0|2,0,0]=4 4671 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,1,0,1,0,0|2,0,0]=4 4672 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,1,0,1,0,0|0,1,1]=4 4673 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,1,0,1,0,0|0,1,1]=4 4674 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,1,0,1,0,0|0,0,1]=3 4675 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,1,0,1,0,0|0,0,1]=3 4676 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,1,0,1,0,0|1,0,1]=4 4677 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,1,0,1,0,0|1,0,1]=4 4678 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,1,0,1,0,0|2,0,0]=4 4679 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,1,0,1,0,0|2,0,0]=4 4680 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,1,0,1,0,0|1,0,1]=4 4681 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,1,0,1,0,0|1,0,1]=4 4682 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,1,0,1,0,0|2,0,0]=4 4683 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,1,0,1,0,0|2,0,0]=4 4684 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,1,0,1,0,0|2,0,0]=4 4685 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,1,0,1,0,0|2,0,0]=4 4686 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,1,0,1,0,0|1,0,1]=4 4687 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,1,0,1,0,0|1,0,1]=4 4688 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,1,0,1,0,0|2,0,0]=4 4689 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,1,0,1,0,0|2,0,0]=4 4690 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,1,0,1,0,0|2,0,0]=4 4691 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,1,0,1,0,0|2,0,0]=4 4692 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,1,0,1,0,0|2,0,0]=4 4693 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,1,0,1,0,0|2,0,0]=4 4694 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [0,1,0,1,0,0|1,0,1]=4 4695 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [0,1,0,1,0,0|1,0,1]=4 4696 B9R1.12 CCCSc1ncns1 62a_100000210303_100000693119 [0,1,0,1,0,0|2,0,0]=4 4697 B9R1.12 CCCSc1ncns1 62a_100000693119_100000210303 [0,1,0,1,0,0|2,0,0]=4 4698 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,1,0,1,0,0|1,0,1]=4 4699 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,1,0,1,0,0|1,0,1]=4 4700 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,1,0,1,0,0|1,0,1]=4 4701 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,1,0,1,0,0|1,0,1]=4 4702 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,1,0,1,0,0|1,0,1]=4 4703 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,1,0,1,0,0|1,0,1]=4 4704 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,1,0,1,0,0|1,0,1]=4 4705 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,1,0,1,0,0|1,0,1]=4 4706 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,1,0,1,0,0|1,0,1]=4 4707 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,1,0,1,0,0|1,0,1]=4 4708 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,1,0,1,0,0|1,0,1]=4 4709 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,1,0,1,0,0|1,0,1]=4 4710 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,1,0,1,0,0|1,0,1]=4 4711 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,1,0,1,0,0|1,0,1]=4 4712 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,1,0,1,0,0|1,0,1]=4 4713 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,1,0,1,0,0|1,0,1]=4 4714 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,1,0,1,0,0|1,0,1]=4 4715 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,1,0,1,0,0|1,0,1]=4 4716 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,1,0,1,0,0|1,0,1]=4 4717 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,1,0,1,0,0|1,0,1]=4 4718 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [0,1,0,1,0,0|2,0,0]=4 4719 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [0,1,0,1,0,0|2,0,0]=4 4720 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [0,1,0,1,0,0|2,0,0]=4 4721 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,1,0,1,0,0|1,0,1]=4 4722 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,1,0,1,0,0|1,0,1]=4 4723 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,1,0,1,0,0|1,0,1]=4 4724 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,1,0,1,0,0|1,0,1]=4 4725 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,1,0,1,0,0|1,0,1]=4 4726 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,1,0,1,0,0|1,0,1]=4 4727 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,1,0,1,0,0|1,0,1]=4 4728 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,1,0,1,0,0|1,0,1]=4 4729 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [0,1,0,1,0,0|2,0,0]=4 4730 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [0,1,0,1,0,0|2,0,0]=4 4731 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [0,1,0,1,0,0|2,0,0]=4 4732 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [0,1,0,1,0,0|2,0,0]=4 4733 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [0,1,0,1,0,0|2,0,0]=4 4734 B9R1.33 C=CCN1CCSC1C 2230a_200011216479_100000210623 [0,1,0,1,0,0|2,0,0]=4 4735 B9R1.33 C=CCN1CCSC1C 269982a_200011216479_100000210623 [0,1,0,1,0,0|2,0,0]=4 4736 B9R1.33 C=CCN1CCSC1C 34a_200011216479_100015514636 [0,1,0,1,0,0|2,0,0]=4 4737 B9R1.58 C=CCN1CC(C1)CC 2230a_100015205115_100000210623 [0,1,0,1,0,0|2,0,0]=4 4738 B9R1.58 C=CCN1CC(C1)CC 269982a_100015205115_100000210623 [0,1,0,1,0,0|2,0,0]=4 4739 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,1,0,1,0,0|2,0,0]=4 4740 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,1,0,1,0,0|2,0,0]=4 4741 B9R1.73 C=CCC(=O)N1CCC1 11a_100000754969_100000210193 [0,1,0,1,0,0|2,0,0]=4 4742 B9R1.73 C=CCC(=O)N1CCC1 240690a_100000754969_100000210193 [0,1,0,1,0,0|2,0,0]=4 4743 B9R1.73 C=CCC(=O)N1CCC1 527a_100000754969_100000210193 [0,1,0,1,0,0|2,0,0]=4 4744 B9R1.73 C=CCN(C)C1CCC1 2230a_100000758072_100000210623 [0,1,0,1,0,0|2,0,0]=4 4745 B9R1.73 C=CCN(C)C1CCC1 269982a_100000225617_100000749161 [0,1,0,1,0,0|2,0,0]=4 4746 B9R1.73 C=CCN(C)C1CCC1 269982a_100000758072_100000210623 [0,1,0,1,0,0|2,0,0]=4 4747 B9R1.73 C=CCN(C)C1CCC1 270004a_100000225617_100000241760 [0,1,0,1,0,0|2,0,0]=4 4748 B9R1.73 C=CCN(C)C1CCC1 34a_100000758072_100015514636 [0,1,0,1,0,0|2,0,0]=4 4749 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,1,0,1,0,0|2,0,0]=4 4750 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,1,0,1,0,0|2,0,0]=4 4751 B9R1.75 C=CCC(=O)NC1CC1 1626a_100000212008_100000210193 [0,1,0,1,0,0|2,0,0]=4 4752 B9R1.75 C=CCC(=O)NC1CC1 240690a_100000212008_100000210193 [0,1,0,1,0,0|2,0,0]=4 4753 B9R1.75 C=CCC(=O)NC1CC1 527a_100000212008_100000210193 [0,1,0,1,0,0|2,0,0]=4 4754 B9R1.75 C=CCN(C)CC1CC1 2230a_100000225617_100000742324 [0,1,0,1,0,0|2,0,0]=4 4755 B9R1.75 C=CCN(C)CC1CC1 2230a_100000741881_100000210623 [0,1,0,1,0,0|2,0,0]=4 4756 B9R1.75 C=CCN(C)CC1CC1 269982a_100000225617_100000756562 [0,1,0,1,0,0|2,0,0]=4 4757 B9R1.75 C=CCN(C)CC1CC1 269982a_100000741881_100000210623 [0,1,0,1,0,0|2,0,0]=4 4758 B9R1.75 C=CC[C@@H](C)OC1CC1 34a_100000731007_100000211595 [0,1,0,1,0,0|1,1,0]=4 4759 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,1,0,1,0,0|2,0,0]=4 4760 B9R1.100 C=CCCN(C)C1CC1 2230a_100000226674_100000754431 [0,1,0,1,0,0|2,0,0]=4 4761 B9R1.100 C=CCCN(C)C1CC1 269982a_100000226674_100000754431 [0,1,0,1,0,0|2,0,0]=4 4762 B9R1.100 C=CCCN(C)C1CC1 269982a_100020639649_100000211595 [0,1,0,1,0,0|2,0,0]=4 4763 B9R1.100 C=CCNC(=O)C1CC1 1626a_100020586998_100000210395 [0,1,0,1,0,0|2,0,0]=4 4764 B9R1.100 C=CCNC(=O)C1CC1 240690a_100020586998_100000210395 [0,1,0,1,0,0|2,0,0]=4 4765 B9R1.100 C=CCNC(=O)C1CC1 527a_100020586998_100000210395 [0,1,0,1,0,0|2,0,0]=4 4766 B9R1.100 C=CCNC(C)C1CC1 2230a_100000700016_100000210623 [0,1,0,1,0,0|2,0,0]=4 4767 B9R1.100 C=CCNC(C)C1CC1 34a_100000700016_100015514636 [0,1,0,1,0,0|2,0,0]=4 4768 B9R1.100 C=CCOC(C)C1CC1 34a_100000744524_100015514636 [0,1,0,1,0,0|1,1,0]=4 4769 B9R1.100 C=CCOC(C)C1CC1 7a_100000744524_100015514636 [0,1,0,1,0,0|1,1,0]=4 4770 B9R1.117 C=CCNC1(CCC1)C 2230a_100000692455_100000210623 [0,1,0,1,0,0|2,0,0]=4 4771 B9R1.117 C=CCNC1(CCC1)C 34a_100000692455_100015514636 [0,1,0,1,0,0|2,0,0]=4 4772 B9R1.117 C=CCOC1(CCC1)C 34a_100000759064_100015514636 [0,1,0,1,0,0|1,1,0]=4 4773 B9R1.117 C=CCOC1(CCC1)C 7a_100000759064_100015514636 [0,1,0,1,0,0|1,1,0]=4 4774 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,1,0,1,0,0|2,0,0]=4 4775 B9R1.16 C=CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000754431 [0,1,0,1,0,0|2,0,0]=4 4776 B9R1.16 C=CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000754431 [0,1,0,1,0,0|2,0,0]=4 4777 B9R1.16 C=CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000754431 [0,1,0,1,0,0|2,0,0]=4 4778 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [0,1,0,1,0,0|1,1,0]=4 4779 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [0,1,0,1,0,0|1,1,0]=4 4780 B9R1.17 C/C=C/CNC1CCC1 34a_100000749019_100102629194 [0,1,0,1,0,0|2,0,0]=4 4781 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [0,1,0,1,0,0|1,1,0]=4 4782 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [0,1,0,1,0,0|1,1,0]=4 4783 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [0,1,0,1,0,0|1,0,0]=3 4784 B9R1.17 C/C=C/CSC1COC1 62a_100102629194_100009818527 [0,1,0,1,0,0|2,0,0]=4 4785 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [0,1,0,1,0,0|2,0,0]=4 4786 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [0,1,0,1,0,0|2,0,0]=4 4787 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [0,1,0,1,0,0|2,0,0]=4 4788 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [0,1,0,1,0,0|2,0,0]=4 4789 B9R1.17 C=CCCNC1COC1 2230a_100016991112_100000754431 [0,1,0,1,0,0|2,0,0]=4 4790 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [0,1,0,1,0,0|1,1,0]=4 4791 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [0,1,0,1,0,0|1,1,0]=4 4792 B9R1.17 C=CCCOC1COC1 34a_100011205117_100009818527 [0,1,0,1,0,0|1,1,0]=4 4793 B9R1.17 C=CCCOC1CSC1 7a_100000072292_100000754431 [0,1,0,1,0,0|1,1,0]=4 4794 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [0,1,0,1,0,0|1,0,0]=3 4795 B9R1.17 C=CCCSC1COC1 62a_100000754431_100009818527 [0,1,0,1,0,0|1,0,0]=3 4796 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [0,1,0,1,0,0|2,0,0]=4 4797 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [0,1,0,1,0,0|2,0,0]=4 4798 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [0,1,0,1,0,0|2,0,0]=4 4799 B9R1.17 C=CCNCC1CCO1 2230a_100020586998_100000103362 [0,1,0,1,0,0|2,0,0]=4 4800 B9R1.17 C=CCNCC1COC1 2230a_100015281925_100000210623 [0,1,0,1,0,0|2,0,0]=4 4801 B9R1.17 C=CCNCC1COC1 2230a_100020586998_100010264016 [0,1,0,1,0,0|2,0,0]=4 4802 B9R1.17 C=CCNCC1COC1 34a_100015281925_100015514636 [0,1,0,1,0,0|2,0,0]=4 4803 B9R1.17 C=CCNC[C@@H]1CCO1 2230a_100020831831_100000210623 [0,1,0,1,0,0|2,0,0]=4 4804 B9R1.17 C=CCNC[C@@H]1CCO1 34a_100020831831_100015514636 [0,1,0,1,0,0|2,0,0]=4 4805 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [0,1,0,1,0,0|1,1,0]=4 4806 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [0,1,0,1,0,0|1,1,0]=4 4807 B9R1.17 C=CCOCC1CCO1 34a_100000039022_100015514636 [0,1,0,1,0,0|1,1,0]=4 4808 B9R1.17 C=CCOCC1CCO1 34a_200000210373_100000103362 [0,1,0,1,0,0|1,1,0]=4 4809 B9R1.17 C=CCOCC1CNC1 34a_100016987283_100015514636 [0,1,0,1,0,0|1,1,0]=4 4810 B9R1.17 C=CCOCC1COC1 34a_100000060846_100015514636 [0,1,0,1,0,0|1,1,0]=4 4811 B9R1.17 C=CCOCC1COC1 34a_200000210373_100010264016 [0,1,0,1,0,0|1,1,0]=4 4812 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [0,1,0,1,0,0|1,0,0]=3 4813 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [0,1,0,1,0,0|1,0,0]=3 4814 B9R1.17 C=CCSCC1CCO1 62a_100000103362_100000210623 [0,1,0,1,0,0|1,0,0]=3 4815 B9R1.17 C=CCSCC1CCO1 62a_100000210623_100000103362 [0,1,0,1,0,0|1,0,0]=3 4816 B9R1.17 C=CCSCC1COC1 62a_100000210623_100010264016 [0,1,0,1,0,0|1,0,0]=3 4817 B9R1.17 C=CCSCC1COC1 62a_100010264016_100000210623 [0,1,0,1,0,0|1,0,0]=3 4818 B9R1.17 C=COCCN1CCC1 269982a_100000754969_100000039644 [0,1,0,1,0,0|2,0,0]=4 4819 B9R1.17 CC=CCNC1CCC1 2230a_100000749019_100000070051 [0,1,0,1,0,0|2,0,0]=4 4820 B9R1.17 CC=CCNC1CCC1 34a_100000749019_100000070051 [0,1,0,1,0,0|2,0,0]=4 4821 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [0,1,0,1,0,0|1,1,0]=4 4822 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [0,1,0,1,0,0|1,0,0]=3 4823 B9R1.17 CC=CCSC1COC1 62a_100000070051_100009818527 [0,1,0,1,0,0|2,0,0]=4 4824 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [0,1,0,1,0,0|2,0,0]=4 4825 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [0,1,0,1,0,0|2,0,0]=4 4826 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [0,1,0,1,0,0|2,0,0]=4 4827 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [0,1,0,1,0,0|2,0,0]=4 4828 B9R1.17 O=CCSCC1COC1 62a_100010264016_200015260668 [0,1,0,1,0,0|2,0,0]=4 4829 B9R1.17 O=CCSCC1COC1 62a_200015260668_100010264016 [0,1,0,1,0,0|2,0,0]=4 4830 B9R1.39 C/C=C/CN1CCC1C 269982a_100000755817_100102629194 [0,1,0,1,0,0|2,0,0]=4 4831 B9R1.39 C/C=C/CN1CCC1C 34a_100000755817_100102629194 [0,1,0,1,0,0|2,0,0]=4 4832 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [0,1,0,1,0,0|2,0,0]=4 4833 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [0,1,0,1,0,0|2,0,0]=4 4834 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,1,0,1,0,0|1,0,1]=4 4835 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,1,0,1,0,0|1,0,1]=4 4836 B9R1.39 CC=CCN1CCC1C 34a_100000755817_100000070051 [0,1,0,1,0,0|2,0,0]=4 4837 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|1,0,1]=4 4838 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|1,0,1]=4 4839 B9R1.83 C/C=C/CCOC1CC1 34a_100016278192_100000211595 [0,1,0,1,0,0|1,1,0]=4 4840 B9R1.83 C/C=C/CNCC1CC1 34a_100000735609_100102629194 [0,1,0,1,0,0|2,0,0]=4 4841 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [0,1,0,1,0,0|1,1,0]=4 4842 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [0,1,0,1,0,0|1,1,0]=4 4843 B9R1.83 C/C=C/CSCC1CC1 62a_100000756562_100102629194 [0,1,0,1,0,0|1,0,0]=3 4844 B9R1.83 C/C=C/CSCC1CC1 62a_100102629194_100000742324 [0,1,0,1,0,0|1,0,0]=3 4845 B9R1.83 C/C=C/CSCC1CO1 62a_100102629194_102125554688 [0,1,0,1,0,0|2,0,0]=4 4846 B9R1.83 C/C=C/CSCC1CO1 62a_102125554688_100102629194 [0,1,0,1,0,0|2,0,0]=4 4847 B9R1.83 C/C=C/CSCC1CS1 62a_100000031435_100102629194 [0,1,0,1,0,0|2,0,0]=4 4848 B9R1.83 C/C=C/CSCC1CS1 62a_100102629194_100000031435 [0,1,0,1,0,0|2,0,0]=4 4849 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100000745022_100102629194 [0,1,0,1,0,0|2,0,0]=4 4850 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100102629194_100000745022 [0,1,0,1,0,0|2,0,0]=4 4851 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [0,1,0,1,0,0|2,0,0]=4 4852 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [0,1,0,1,0,0|2,0,0]=4 4853 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [0,1,0,1,0,0|1,1,0]=4 4854 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [0,1,0,1,0,0|1,0,0]=3 4855 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [0,1,0,1,0,0|2,0,0]=4 4856 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [0,1,0,1,0,0|2,0,0]=4 4857 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [0,1,0,1,0,0|2,0,0]=4 4858 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [0,1,0,1,0,0|2,0,0]=4 4859 B9R1.83 C=CCCNCC1CO1 2230a_100015191253_100011216344 [0,1,0,1,0,0|2,0,0]=4 4860 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [0,1,0,1,0,0|1,1,0]=4 4861 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [0,1,0,1,0,0|1,1,0]=4 4862 B9R1.83 C=CCCOCC1CO1 34a_100011205117_102125554688 [0,1,0,1,0,0|1,1,0]=4 4863 B9R1.83 C=CCCOC[C@@H]1CO1 34a_100000757423_100000754431 [0,1,0,1,0,0|1,1,0]=4 4864 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [0,1,0,1,0,0|1,0,0]=3 4865 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [0,1,0,1,0,0|1,0,0]=3 4866 B9R1.83 C=CCCSCC1CO1 62a_100000754431_102125554688 [0,1,0,1,0,0|1,0,0]=3 4867 B9R1.83 C=CCCSCC1CO1 62a_102125554688_100000754431 [0,1,0,1,0,0|1,0,0]=3 4868 B9R1.83 C=CCCSCC1CS1 62a_100000031435_100000754431 [0,1,0,1,0,0|1,0,0]=3 4869 B9R1.83 C=CCCSCC1CS1 62a_100000754431_100000031435 [0,1,0,1,0,0|1,0,0]=3 4870 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000745022_100000754431 [0,1,0,1,0,0|1,0,0]=3 4871 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000754431_100000745022 [0,1,0,1,0,0|1,0,0]=3 4872 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [0,1,0,1,0,0|2,0,0]=4 4873 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [0,1,0,1,0,0|2,0,0]=4 4874 B9R1.83 C=CCNCCC1CO1 2230a_100020586998_100000732470 [0,1,0,1,0,0|2,0,0]=4 4875 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [0,1,0,1,0,0|1,1,0]=4 4876 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [0,1,0,1,0,0|1,1,0]=4 4877 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [0,1,0,1,0,0|1,1,0]=4 4878 B9R1.83 C=CCOCCC1CO1 34a_200000210373_100000732470 [0,1,0,1,0,0|1,1,0]=4 4879 B9R1.83 C=CCOCC[C@@H]1CO1 34a_100009820653_100015514636 [0,1,0,1,0,0|1,1,0]=4 4880 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [0,1,0,1,0,0|1,0,0]=3 4881 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [0,1,0,1,0,0|1,0,0]=3 4882 B9R1.83 C=CCSCCC1CO1 62a_100000210623_100000732470 [0,1,0,1,0,0|1,0,0]=3 4883 B9R1.83 C=CCSCCC1CO1 62a_100000732470_100000210623 [0,1,0,1,0,0|1,0,0]=3 4884 B9R1.83 C=COCCNC1CC1 34a_100000212008_100000039644 [0,1,0,1,0,0|2,0,0]=4 4885 B9R1.83 C=COCCOC1CC1 34a_100000033082_100000211595 [0,1,0,1,0,0|1,1,0]=4 4886 B9R1.83 C=COCCSC1CC1 62a_100000039644_100000211595 [0,1,0,1,0,0|1,0,0]=3 4887 B9R1.83 CC=CCNCC1CC1 2230a_100000735609_100000070051 [0,1,0,1,0,0|2,0,0]=4 4888 B9R1.83 CC=CCNCC1CC1 34a_100000735609_100000070051 [0,1,0,1,0,0|2,0,0]=4 4889 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [0,1,0,1,0,0|1,1,0]=4 4890 B9R1.83 CC=CCSCC1CC1 62a_100000070051_100000742324 [0,1,0,1,0,0|1,0,0]=3 4891 B9R1.83 CC=CCSCC1CC1 62a_100000756562_100000070051 [0,1,0,1,0,0|1,0,0]=3 4892 B9R1.83 CC=CCSCC1CO1 62a_100000070051_102125554688 [0,1,0,1,0,0|2,0,0]=4 4893 B9R1.83 CC=CCSCC1CO1 62a_102125554688_100000070051 [0,1,0,1,0,0|2,0,0]=4 4894 B9R1.83 CC=CCSCC1CS1 62a_100000031435_100000070051 [0,1,0,1,0,0|2,0,0]=4 4895 B9R1.83 CC=CCSCC1CS1 62a_100000070051_100000031435 [0,1,0,1,0,0|2,0,0]=4 4896 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000070051_100000745022 [0,1,0,1,0,0|2,0,0]=4 4897 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000745022_100000070051 [0,1,0,1,0,0|2,0,0]=4 4898 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,1,0,1,0,0|1,0,1]=4 4899 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,1,0,1,0,0|2,0,0]=4 4900 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,1,0,1,0,0|2,0,0]=4 4901 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [0,1,0,1,0,0|2,0,0]=4 4902 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [0,1,0,1,0,0|2,0,0]=4 4903 B9R1.11 C=CC(C)N1CCCC1 269982a_100000188435_100011215867 [0,1,0,1,0,0|2,0,0]=4 4904 B9R1.79 C=CC(C)OC1CCC1 34a_100000695699_100000749161 [0,1,0,1,0,0|1,1,0]=4 4905 B9R1.79 C=CC(C)SC1CCC1 62a_100011215867_100000749161 [0,1,0,1,0,0|1,0,0]=3 4906 B9R1.79 C=CC(C)SC1COC1 62a_100011215867_100009818527 [0,1,0,1,0,0|2,0,0]=4 4907 B9R1.80 C=CC(C)COC1CC1 34a_100011215527_100000211595 [0,1,0,1,0,0|1,1,0]=4 4908 B9R1.80 C=CC(C)OCC1CC1 34a_100000695699_100000742324 [0,1,0,1,0,0|1,1,0]=4 4909 B9R1.80 C=CC(C)SCC1CC1 62a_100011215867_100000742324 [0,1,0,1,0,0|1,0,0]=3 4910 B9R1.80 C=CC(C)SCC1CO1 62a_100011215867_102125554688 [0,1,0,1,0,0|2,0,0]=4 4911 B9R1.80 C=CC(C)SCC1CS1 62a_100011215867_100000031435 [0,1,0,1,0,0|2,0,0]=4 4912 B9R1.80 C=CC(C)SC[C@@H]1CO1 62a_100011215867_100000745022 [0,1,0,1,0,0|2,0,0]=4 4913 B9R1.80 C=CC(O)CNC1CC1 34a_100000212008_100000730141 [0,1,0,1,0,0|2,0,0]=4 4914 B9R1.80 C=CC(O)CSC1CC1 62a_100000730141_100000211595 [0,1,0,1,0,0|1,0,0]=3 4915 B9R1.80 C=C[C@H](N)COC1CC1 34a_100016989147_100000211595 [0,1,0,1,0,0|1,1,0]=4 4916 B9R1.81 C=CC(C)N1CCC1C 269982a_100000755817_100011215867 [0,1,0,1,0,0|2,0,0]=4 4917 B9R1.99 C=CCCNC1(CC1)C 2230a_100000757604_100000754431 [0,1,0,1,0,0|2,0,0]=4 4918 B9R1.99 C=CCCOC1(CC1)C 7a_100011725673_100000754431 [0,1,0,1,0,0|1,1,0]=4 4919 B9R1.99 C=CCNCC1(CC1)C 2230a_100000766693_100000210623 [0,1,0,1,0,0|2,0,0]=4 4920 B9R1.99 C=CCNCC1(CC1)O 2230a_100011936951_100000210623 [0,1,0,1,0,0|2,0,0]=4 4921 B9R1.99 C=CCOCC1(CC1)C 7a_100000698024_100015514636 [0,1,0,1,0,0|1,1,0]=4 4922 B9R1.99 C=CCOCC1(CC1)F 34a_200000703853_100015514636 [0,1,0,1,0,0|1,1,0]=4 4923 B9R1.99 C=CCOCC1(CC1)F 7a_200000703853_100015514636 [0,1,0,1,0,0|1,1,0]=4 4924 B9R1.99 C=CCSCC1(CO1)C 62a_100000210623_100000760498 [0,1,0,1,0,0|2,0,0]=4 4925 B9R1.99 C=CCSCC1(CO1)C 62a_100000760498_100000210623 [0,1,0,1,0,0|2,0,0]=4 4926 B9R1.135 C=CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210623 [0,1,0,1,0,0|2,0,0]=4 4927 B9R1.135 C=CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210623 [0,1,0,1,0,0|2,0,0]=4 4928 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,1,0,1,0,0|2,0,0]=4 4929 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,1,0,1,0,0|2,0,0]=4 4930 B9R1.13 C=C(F)CN1CCCC1 2230a_100000188435_100009893438 [0,1,0,1,0,0|2,0,0]=4 4931 B9R1.13 C=C(F)CN1CCCC1 269982a_100000188435_100009893438 [0,1,0,1,0,0|2,0,0]=4 4932 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,1,0,1,0,0|2,0,0]=4 4933 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,1,0,1,0,0|2,0,0]=4 4934 B9R1.67 C=C(F)CN1CCC1C 269982a_100000755817_100009893438 [0,1,0,1,0,0|2,0,0]=4 4935 B9R1.67 C=C(F)CN1CCC1C 34a_100000755817_100009893438 [0,1,0,1,0,0|2,0,0]=4 4936 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [0,1,0,1,0,0|2,0,0]=4 4937 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,1,0,1,0,0|2,0,0]=4 4938 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,1,0,1,0,0|2,0,0]=4 4939 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,1,0,1,0,0|1,1,0]=4 4940 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,1,0,1,0,0|1,1,0]=4 4941 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,1,0,1,0,0|1,0,0]=3 4942 B9R1.84 C=C(C)CSC1COC1 62a_100000748629_100009818527 [0,1,0,1,0,0|2,0,0]=4 4943 B9R1.84 C=C(F)CNC1CCC1 2230a_100000749019_100009893438 [0,1,0,1,0,0|2,0,0]=4 4944 B9R1.84 C=C(F)CNC1CCC1 34a_100000749019_100009893438 [0,1,0,1,0,0|2,0,0]=4 4945 B9R1.84 C=C(F)COC1CCC1 34a_100000748187_100009893438 [0,1,0,1,0,0|1,1,0]=4 4946 B9R1.84 C=C(F)COC1CCC1 34a_200010262243_100000749161 [0,1,0,1,0,0|1,1,0]=4 4947 B9R1.84 C=C(F)CSC1CCC1 62a_100000042424_100000749161 [0,1,0,1,0,0|1,0,0]=3 4948 B9R1.84 C=C(F)CSC1COC1 62a_100000042424_100009818527 [0,1,0,1,0,0|2,0,0]=4 4949 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,1,0,1,0,0|2,0,0]=4 4950 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,1,0,1,0,0|2,0,0]=4 4951 B9R1.85 C=C(Br)CCOC1CC1 34a_100009813270_100000211595 [0,1,0,1,0,0|1,1,0]=4 4952 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,1,0,1,0,0|2,0,0]=4 4953 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,1,0,1,0,0|1,1,0]=4 4954 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,1,0,1,0,0|1,0,0]=3 4955 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,1,0,1,0,0|2,0,0]=4 4956 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,1,0,1,0,0|2,0,0]=4 4957 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,1,0,1,0,0|1,1,0]=4 4958 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,1,0,1,0,0|1,1,0]=4 4959 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,1,0,1,0,0|1,0,0]=3 4960 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,1,0,1,0,0|1,0,0]=3 4961 B9R1.85 C=C(C)CSCC1CO1 62a_100000748629_102125554688 [0,1,0,1,0,0|2,0,0]=4 4962 B9R1.85 C=C(C)CSCC1CO1 62a_102125554688_100000211660 [0,1,0,1,0,0|2,0,0]=4 4963 B9R1.85 C=C(C)CSCC1CS1 62a_100000031435_100000211660 [0,1,0,1,0,0|2,0,0]=4 4964 B9R1.85 C=C(C)CSCC1CS1 62a_100000748629_100000031435 [0,1,0,1,0,0|2,0,0]=4 4965 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000745022_100000211660 [0,1,0,1,0,0|2,0,0]=4 4966 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000748629_100000745022 [0,1,0,1,0,0|2,0,0]=4 4967 B9R1.85 C=C(F)CNCC1CC1 2230a_100000735609_100009893438 [0,1,0,1,0,0|2,0,0]=4 4968 B9R1.85 C=C(F)CNCC1CC1 34a_100000735609_100009893438 [0,1,0,1,0,0|2,0,0]=4 4969 B9R1.85 C=C(F)COCC1CC1 34a_100000211283_100009893438 [0,1,0,1,0,0|1,1,0]=4 4970 B9R1.85 C=C(F)COCC1CC1 34a_200010262243_100000742324 [0,1,0,1,0,0|1,1,0]=4 4971 B9R1.85 C=C(F)CSCC1CC1 62a_100000042424_100000742324 [0,1,0,1,0,0|1,0,0]=3 4972 B9R1.85 C=C(F)CSCC1CC1 62a_100000756562_100000042424 [0,1,0,1,0,0|1,0,0]=3 4973 B9R1.85 C=C(F)CSCC1CO1 62a_100000042424_102125554688 [0,1,0,1,0,0|2,0,0]=4 4974 B9R1.85 C=C(F)CSCC1CO1 62a_102125554688_100000042424 [0,1,0,1,0,0|2,0,0]=4 4975 B9R1.85 C=C(F)CSCC1CS1 62a_100000031435_100000042424 [0,1,0,1,0,0|2,0,0]=4 4976 B9R1.85 C=C(F)CSCC1CS1 62a_100000042424_100000031435 [0,1,0,1,0,0|2,0,0]=4 4977 B9R1.85 C=C(F)CSC[C@@H]1CO1 62a_100000042424_100000745022 [0,1,0,1,0,0|2,0,0]=4 4978 B9R1.85 C=C(F)CSC[C@@H]1CO1 62a_100000745022_100000042424 [0,1,0,1,0,0|2,0,0]=4 4979 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,1,0,1,0,0|1,0,1]=4 4980 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,1,0,1,0,0|1,0,1]=4 4981 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,1,0,1,0,0|2,0,0]=4 4982 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,1,0,1,0,0|2,0,0]=4 4983 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,1,0,1,0,0|2,0,0]=4 4984 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,1,0,1,0,0|2,0,0]=4 4985 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,1,0,1,0,0|2,0,0]=4 4986 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,1,0,1,0,0|1,0,1]=4 4987 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,2,0,0|1,0,1]=4