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#CCCOCC=C 34a_100011215631_100015514636 [0,0,0,0,0,0|1,1,2]=4 3 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,0,0,0,0,0|1,1,2]=4 11 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,0,0,0,0,0|1,1,2]=4 12 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,0,0,0,0,0|1,1,0]=2 44 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,0,0,0,0,0|1,1,0]=2 45 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,0,0,0,0,0|2,1,0]=3 46 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,0,0,0,0,0|2,1,1]=4 47 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,0,0,0,0,0|1,1,2]=4 48 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,0,0,0,0,0|1,1,2]=4 49 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,0,0,0,0,0|2,1,1]=4 50 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,0,0,0,0,0|2,1,1]=4 51 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,0,0,0,0,0|2,1,1]=4 52 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,0,0,0,0,0|2,1,1]=4 53 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [0,0,0,0,0,0|1,0,0]=1 56 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [0,0,0,0,0,0|1,0,0]=1 57 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,0,0,0,0,0|1,1,2]=4 83 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,0,0,0,0,0|1,1,2]=4 84 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,0,0,0,0,0|1,1,2]=4 85 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,0,0,0,0,0|2,1,1]=4 86 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,0,0,0,0,0|1,1,2]=4 87 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,0,0,0,0,0|1,1,2]=4 88 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,0,0,0,0,0|1,1,2]=4 89 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,0,0,0,0,0|2,1,1]=4 90 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,0,0,0,0,0|2,1,1]=4 91 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,0,0,0,0,0|2,1,1]=4 92 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,0,0,0,0,0|2,1,1]=4 93 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,0,0,0,0,0|2,1,1]=4 94 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,0,0,0,0,0|2,1,1]=4 95 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,0,0,0,0,0|2,1,1]=4 96 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,0,0,0,0,0|2,1,1]=4 97 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,0,0,0,0,0|2,1,1]=4 98 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,0,0,0,0,0|3,1,0]=4 99 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,0,0,0,0,0|2,1,1]=4 100 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,0,0,0,0,0|2,1,1]=4 101 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,0,0,0,0,0|2,1,1]=4 102 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,0,0,0,0,0|2,1,1]=4 103 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,0,0,0,0,0|2,1,1]=4 104 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,0,0,0,0,0|1,0,2]=3 105 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,0,0,0,0,0|1,0,2]=3 106 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [0,0,0,0,0,0|1,0,3]=4 107 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [0,0,0,0,0,0|1,0,3]=4 108 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,0,0,0,0,0|1,0,2]=3 109 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,0,0,0,0,0|1,0,2]=3 110 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [0,0,0,0,0,0|2,0,1]=3 111 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [0,0,0,0,0,0|2,0,1]=3 112 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,0,0,0,0|1,0,2]=3 113 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,0,0,0,0|1,0,2]=3 114 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,0,0,0,0|2,0,1]=3 117 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,0,0,0,0,0|2,0,1]=3 122 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,0,0,0,0,0|2,0,2]=4 123 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,0,0,0,0,0|2,0,2]=4 124 B7R0.1 C=CCSCSC#N 62a_100000210623_100000211825 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.1 C=CCSCSC#N 62a_100000211825_100000210623 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,0,0,0,0,0|2,0,2]=4 127 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,0,0,0,0,0|2,0,2]=4 128 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,0,0,0,0,0|2,0,2]=4 129 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,0,0,0,0,0|2,0,2]=4 130 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,0,0,0,0,0|3,0,1]=4 140 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [1,0,0,0,0,0|1,0,2]=4 141 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [1,0,0,0,0,0|1,0,2]=4 142 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [1,0,0,0,0,0|0,1,2]=4 143 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [1,0,0,0,0,0|0,1,2]=4 144 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [1,0,0,0,0,0|0,0,2]=3 145 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,1,1]=4 165 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,1,1]=4 166 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,0,0,0,0,0|2,1,0]=4 167 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [1,0,0,0,0,0|1,0,0]=2 173 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,0,0,0,0|2,0,0]=3 174 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [1,0,0,0,0,0|0,1,0]=2 183 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,0,0,0,0|1,1,0]=3 184 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,0,0,0,0,0|1,1,1]=4 185 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|0,1,2]=4 186 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|0,1,2]=4 187 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,0,0,0,0,0|1,1,1]=4 188 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,0,0,0,0|1,1,1]=4 189 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,1,1]=4 190 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,0,0,0,0|1,1,1]=4 191 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [1,0,0,0,0,0|1,0,1]=3 192 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [1,0,0,0,0,0|1,0,1]=3 193 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [1,0,0,0,0,0|0,0,0]=1 194 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,0,0,0,0|1,0,0]=2 195 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,0,0,0,0|1,0,0]=2 196 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|0,0,2]=3 197 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|0,0,2]=3 198 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|1,0,1]=3 200 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,0,1]=3 201 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,0,1]=3 202 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,0,0,0,0,0|1,0,1]=3 203 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,0,0,0,0,0|1,0,1]=3 204 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,0,0,0,0|1,0,1]=3 205 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,0,0,0,0|1,0,1]=3 206 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,2]=4 207 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,2]=4 208 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,0,0,0,0,0|2,0,0]=3 215 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.1 C=CCCN(C)CC=C 2230a_100000225617_100000754431 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.1 C=CCCN(C)CC=C 2230a_100020639649_100000210623 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.1 C=CCCN(C)CC=C 269982a_100000225617_100000754431 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.1 C=CCCN(C)CC=C 269982a_100020639649_100000210623 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.1 C=CCNC(=O)CC=C 1626a_100020586998_100000210193 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.1 C=CCNC(=O)CC=C 240690a_100020586998_100000210193 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.1 C=CCNC(=O)CC=C 527a_100020586998_100000210193 [0,1,0,0,0,0|2,0,0]=3 231 B8R0.1 C=CCO[C@H](C)CC=C 34a_100000731007_100015514636 [0,1,0,0,0,0|1,1,0]=3 232 B8R0.1 C=CCO[C@H](C)CC=C 7a_100000731007_100015514636 [0,1,0,0,0,0|1,1,0]=3 233 B8R0.1 C=CCSC(C)CC#N 62a_100000210623_100009813641 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.1 C=CCSC(C)CC#N 62a_100009813641_100000210623 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,1,0,0,0,0|2,1,0]=4 242 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,1,0,0,0,0|2,1,0]=4 243 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.4 C#CCCSC/C=C/C 62a_100000688953_100102629194 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.4 C#CCCSC/C=C/C 62a_100102629194_100000688953 [0,1,0,0,0,0|1,0,2]=4 247 B8R0.4 C#CCCSCC=CC 62a_100000070051_100000688953 [0,1,0,0,0,0|1,0,2]=4 248 B8R0.4 C#CCCSCC=CC 62a_100000688953_100000070051 [0,1,0,0,0,0|1,0,2]=4 249 B8R0.4 C#CCCSCCC=C 62a_100000688953_100000754431 [0,1,0,0,0,0|1,0,2]=4 250 B8R0.4 C#CCCSCCC=C 62a_100000754431_100000688953 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [0,1,0,0,0,0|1,0,2]=4 252 B8R0.4 C#CCSCCOC=C 62a_100000038162_100000039644 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [0,1,0,0,0,0|2,1,0]=4 254 B8R0.4 C/C=C/CSC/C=C/C 62a_100102629194_100102629194 [0,1,0,0,0,0|1,0,2]=4 255 B8R0.4 C/C=C/CSCCC#N 62a_100011215226_100102629194 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.4 C/C=C/CSCCC#N 62a_100102629194_100011215226 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,1,0,0,0,0|1,0,2]=4 258 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [0,1,0,0,0,0|2,0,0]=3 270 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [0,1,0,0,0,0|1,1,0]=3 273 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [0,1,0,0,0,0|1,1,0]=3 274 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [0,1,0,0,0,0|1,1,0]=3 275 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,1,0,0,0,0|2,1,0]=4 276 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,1,0,0,0,0|2,1,0]=4 277 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [0,1,0,0,0,0|1,0,0]=2 281 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,1,0,0,0,0|2,0,0]=3 283 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,0,0,0,0|1,0,2]=4 284 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,0,0,0,0|1,0,2]=4 285 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,1,0,0,0,0|2,0,1]=4 293 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [0,1,0,0,0,0|2,0,0]=3 294 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [0,1,0,0,0,0|1,1,0]=3 296 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [0,1,0,0,0,0|1,1,0]=3 297 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [0,1,0,0,0,0|1,1,0]=3 298 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [0,1,0,0,0,0|1,1,0]=3 299 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [0,1,0,0,0,0|1,0,0]=2 300 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [0,1,0,0,0,0|1,0,0]=2 301 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [0,1,0,0,0,0|1,0,2]=4 302 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [0,1,0,0,0,0|1,0,2]=4 303 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [0,1,0,0,0,0|1,0,0]=2 304 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [0,1,0,0,0,0|1,0,0]=2 305 B8R0.4 C=CCCSCCC#N 62a_100000754431_100011215226 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.4 C=CCCSCCC#N 62a_100011215226_100000754431 [0,1,0,0,0,0|1,0,2]=4 307 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [0,1,0,0,0,0|1,0,0]=2 308 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,1,0,0,0,0|1,0,2]=4 310 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,1,0,0,0,0|1,0,2]=4 311 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,1,0,0,0,0|1,0,2]=4 312 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,0,0,0,0|1,0,2]=4 313 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,0,0,0,0|1,0,2]=4 314 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,1,0,0,0,0|1,0,2]=4 315 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,1,0,0,0,0|1,0,2]=4 316 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,1,0,0,0,0|1,0,2]=4 317 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,1,0,0,0,0|1,0,2]=4 318 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,1,0,0,0,0|1,0,2]=4 319 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,1,0,0,0,0|1,0,2]=4 320 B8R0.4 C=CCCSCSC#N 62a_100000211825_100000754431 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.4 C=CCCSCSC#N 62a_100000754431_100000211825 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [0,1,0,0,0,0|1,1,0]=3 325 B8R0.4 C=CCOCCOC=C 34a_100000033082_100015514636 [0,1,0,0,0,0|1,1,0]=3 326 B8R0.4 C=CCOCCOC=C 34a_200000210373_100000039644 [0,1,0,0,0,0|1,1,0]=3 327 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,1,0,0,0,0|1,0,2]=4 328 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,1,0,0,0,0|1,0,2]=4 329 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [0,1,0,0,0,0|1,0,2]=4 330 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [0,1,0,0,0,0|1,0,2]=4 331 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,1,0,0,0,0|1,0,1]=3 332 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,1,0,0,0,0|1,0,1]=3 333 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,1,0,0,0,0|1,0,2]=4 334 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,1,0,0,0,0|1,0,2]=4 335 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,1,0,0,0,0|1,0,2]=4 336 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,1,0,0,0,0|1,0,2]=4 337 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,1,0,0,0,0|1,0,2]=4 338 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,1,0,0,0,0|1,0,2]=4 339 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,1,0,0,0,0|1,0,2]=4 340 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,1,0,0,0,0|1,0,2]=4 341 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [0,1,0,0,0,0|1,0,0]=2 342 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [0,1,0,0,0,0|1,0,0]=2 343 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,1,0,0,0,0|1,0,2]=4 344 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,1,0,0,0,0|1,0,2]=4 345 B8R0.4 C=CCSCCSC#N 62a_100000034367_100000210623 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.4 C=CCSCCSC#N 62a_100000210623_100000034367 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,1,0,0,0,0|1,0,2]=4 348 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,1,0,0,0,0|1,0,2]=4 349 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [0,1,0,0,0,0|2,1,0]=4 350 B8R0.4 C=COCCSCC#N 62a_100000039644_100011215382 [0,1,0,0,0,0|2,0,1]=4 351 B8R0.4 C=COCCSCC#N 62a_100011215382_100000039644 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,1,0,0,0,0|1,0,2]=4 355 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,1,0,0,0,0|1,0,2]=4 356 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,1,0,0,0,0|2,0,1]=4 358 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.4 CC=CCSC/C=C/C 62a_100000070051_100102629194 [0,1,0,0,0,0|1,0,2]=4 365 B8R0.4 CC=CCSC/C=C/C 62a_100102629194_100000070051 [0,1,0,0,0,0|1,0,2]=4 366 B8R0.4 CC=CCSCC=CC 62a_100000070051_100000070051 [0,1,0,0,0,0|1,0,2]=4 367 B8R0.4 CC=CCSCCC#N 62a_100000070051_100011215226 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.4 CC=CCSCCC#N 62a_100011215226_100000070051 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,1,0,0,0,0|1,0,2]=4 370 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,1,0,0,0,0|1,0,2]=4 371 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.6 C#CC(C)SCCC=C 62a_200000035995_100000754431 [0,1,0,0,0,0|1,0,2]=4 382 B8R0.6 C#CCCSC(C)C=C 62a_100011215867_100000688953 [0,1,0,0,0,0|1,0,2]=4 383 B8R0.6 C#CCSCC(O)C=C 62a_100000038162_100000730141 [0,1,0,0,0,0|1,0,2]=4 384 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,1,0,0,0,0|2,1,0]=4 385 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,1,0,0,0,0|2,1,0]=4 386 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [0,1,0,0,0,0|1,0,2]=4 387 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [0,1,0,0,0,0|1,0,2]=4 388 B8R0.6 C=CC(C)SCCC#N 62a_100011215867_100011215226 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,1,0,0,0,0|1,0,2]=4 390 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.6 C=CC(O)CSCC#N 62a_100000730141_100011215382 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.6 C=CC(O)CSCC#N 62a_100011215382_100000730141 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,1,0,0,0,0|2,0,0]=3 397 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,1,0,0,0,0|2,0,0]=3 398 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,1,0,0,0,0|1,0,2]=4 400 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [0,1,0,0,0,0|1,1,0]=3 412 B8R0.6 C=CCCSC(C)C#N 62a_100000703298_100000754431 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.6 C=CCCSC(C)C#N 62a_100000754431_100000703298 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [0,1,0,0,0,0|1,0,0]=2 415 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,0,0,0,0|1,0,2]=4 416 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,0,0,0,0|1,0,2]=4 417 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.6 C=CCCSC(F)C#N 62a_100000754431_200000117898 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.6 C=CCCSC(F)C#N 62a_200000117898_100000754431 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.6 C=CCNCC(O)C=C 2230a_100020586998_100000730141 [0,1,0,0,0,0|2,0,0]=3 425 B8R0.6 C=CCNNC(=O)C=C 22a_100020588587_100000185746 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [0,1,0,0,0,0|1,1,0]=3 427 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [0,1,0,0,0,0|1,1,0]=3 428 B8R0.6 C=CCOCC(O)C=C 34a_200000210373_100000730141 [0,1,0,0,0,0|1,1,0]=3 429 B8R0.6 C=CCOC[C@@H](N)C=C 34a_100016989147_100015514636 [0,1,0,0,0,0|1,1,0]=3 430 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,0,0,0,0|1,0,2]=4 431 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,0,0,0,0|1,0,2]=4 432 B8R0.6 C=CCSCC(O)C=C 62a_100000210623_100000730141 [0,1,0,0,0,0|1,0,0]=2 433 B8R0.6 C=CCSCC(O)C=C 62a_100000730141_100000210623 [0,1,0,0,0,0|1,0,0]=2 434 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,0,0,0,0|1,0,2]=4 435 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,0,0,0,0|1,0,2]=4 436 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,0,0,0,0|1,0,2]=4 439 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,0,0,0,0|1,0,2]=4 440 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [0,1,0,0,0,0|2,0,1]=4 443 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [0,1,0,0,0,0|2,1,0]=4 447 B8R0.7 C#CCCSCC(=C)C 62a_100000688953_100000211660 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.7 C#CCCSCC(=C)C 62a_100000748629_100000688953 [0,1,0,0,0,0|1,0,2]=4 449 B8R0.7 C#CCCSCC(=C)F 62a_100000042424_100000688953 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.7 C#CCCSCC(=C)F 62a_100000688953_100000042424 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.7 C#CCSCCC(=C)C 62a_100000038162_100000730704 [0,1,0,0,0,0|1,0,2]=4 452 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [0,1,0,0,0,0|2,1,0]=4 453 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,1,0,0,0,0|2,1,0]=4 454 B8R0.7 C=C(C)CCSCC#N 62a_100000730704_100011215382 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.7 C=C(C)CCSCC#N 62a_100011215382_100000730704 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,1,0,0,0,0|2,0,0]=3 458 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,1,0,0,0,0|1,0,2]=4 459 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,1,0,0,0,0|1,0,2]=4 460 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,1,0,0,0,0|2,0,1]=4 461 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [0,1,0,0,0,0|1,0,2]=4 470 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [0,1,0,0,0,0|1,0,2]=4 471 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [0,1,0,0,0,0|1,0,2]=4 472 B8R0.7 C=C(C)CSCCC#N 62a_100000748629_100011215226 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.7 C=C(C)CSCCC#N 62a_100011215226_100000211660 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,1,0,0,0,0|1,0,2]=4 475 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,1,0,0,0,0|1,0,2]=4 476 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.7 C=C(F)CSC/C=C/C 62a_100000042424_100102629194 [0,1,0,0,0,0|1,0,2]=4 485 B8R0.7 C=C(F)CSC/C=C/C 62a_100102629194_100000042424 [0,1,0,0,0,0|1,0,2]=4 486 B8R0.7 C=C(F)CSCC=CC 62a_100000042424_100000070051 [0,1,0,0,0,0|1,0,2]=4 487 B8R0.7 C=C(F)CSCC=CC 62a_100000070051_100000042424 [0,1,0,0,0,0|1,0,2]=4 488 B8R0.7 C=C(F)CSCCC#N 62a_100000042424_100011215226 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.7 C=C(F)CSCCC#N 62a_100011215226_100000042424 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,1,0,0,0,0|1,0,2]=4 491 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,1,0,0,0,0|1,0,2]=4 492 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,1,0,0,0,0|2,0,1]=4 497 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [0,1,0,0,0,0|2,0,0]=3 504 B8R0.7 C=CCCNCC(=C)F 2230a_100015191253_100009893438 [0,1,0,0,0,0|2,0,0]=3 505 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,1,0,0,0,0|3,0,0]=4 506 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,1,0,0,0,0|3,0,0]=4 507 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [0,1,0,0,0,0|1,1,0]=3 509 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [0,1,0,0,0,0|1,1,0]=3 510 B8R0.7 C=CCCOCC(=C)F 34a_100011205117_100009893438 [0,1,0,0,0,0|1,1,0]=3 511 B8R0.7 C=CCCOCC(=C)F 34a_200010262243_100000754431 [0,1,0,0,0,0|1,1,0]=3 512 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,1,0,0,0,0|1,1,1]=4 513 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,1,0,0,0,0|2,1,0]=4 514 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,1,0,0,0,0|2,1,0]=4 515 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [0,1,0,0,0,0|1,0,0]=2 516 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [0,1,0,0,0,0|1,0,0]=2 517 B8R0.7 C=CCCSCC(=C)F 62a_100000042424_100000754431 [0,1,0,0,0,0|1,0,0]=2 518 B8R0.7 C=CCCSCC(=C)F 62a_100000754431_100000042424 [0,1,0,0,0,0|1,0,0]=2 519 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,1,0,0,0,0|2,0,0]=3 520 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,1,0,0,0,0|2,0,0]=3 521 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,1,0,0,0,0|2,0,0]=3 522 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,1,0,0,0,0|2,0,0]=3 523 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,1,0,0,0,0|1,0,2]=4 526 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.7 C=CCCSCC(F)F 62a_100000754431_100011934356 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.7 C=CCCSCC(F)F 62a_100011934356_100000754431 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,1,0,0,0,0|1,0,2]=4 530 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.7 C=CCCSC[N+](=O)[O-] 62a_100000754431_100000761209 [0,1,0,0,0,0|3,0,0]=4 532 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [0,1,0,0,0,0|2,0,0]=3 533 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,1,0,0,0,0|3,0,0]=4 534 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,1,0,0,0,0|2,1,0]=4 535 B8R0.7 C=CCOCCC(=C)Br 34a_100009813270_100015514636 [0,1,0,0,0,0|1,1,0]=3 536 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,1,0,0,0,0|1,1,0]=3 537 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,1,0,0,0,0|1,1,0]=3 538 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,1,0,0,0,0|1,1,1]=4 539 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,1,0,0,0,0|1,1,1]=4 540 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,1,0,0,0,0|1,1,1]=4 541 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,1,0,0,0,0|2,1,0]=4 542 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,1,0,0,0,0|2,1,0]=4 543 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,1,0,0,0,0|2,1,0]=4 544 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,1,0,0,0,0|1,1,1]=4 545 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [0,1,0,0,0,0|1,0,2]=4 546 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [0,1,0,0,0,0|1,0,0]=2 548 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [0,1,0,0,0,0|1,0,0]=2 549 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,1,0,0,0,0|1,0,1]=3 550 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,1,0,0,0,0|1,0,1]=3 551 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,1,0,0,0,0|2,0,0]=3 552 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,1,0,0,0,0|1,0,2]=4 554 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,1,0,0,0,0|1,0,2]=4 555 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,1,0,0,0,0|1,0,2]=4 556 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,1,0,0,0,0|3,0,0]=4 564 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,0,0,1,0,0|1,0,2]=4 565 B8R1.10 C=CCSC1COC1 62a_100000210623_100009818527 [0,0,0,1,0,0|2,0,1]=4 566 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [0,0,0,1,0,0|1,0,2]=4 567 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [0,0,0,1,0,0|1,0,2]=4 568 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [0,0,0,1,0,0|1,0,2]=4 569 B8R1.36 C=CCSCC1CO1 62a_100000210623_102125554688 [0,0,0,1,0,0|2,0,1]=4 570 B8R1.36 C=CCSCC1CO1 62a_102125554688_100000210623 [0,0,0,1,0,0|2,0,1]=4 571 B8R1.36 C=CCSCC1CS1 62a_100000031435_100000210623 [0,0,0,1,0,0|2,0,1]=4 572 B8R1.36 C=CCSCC1CS1 62a_100000210623_100000031435 [0,0,0,1,0,0|2,0,1]=4 573 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000210623_100000745022 [0,0,0,1,0,0|2,0,1]=4 574 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000745022_100000210623 [0,0,0,1,0,0|2,0,1]=4 575 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,1]=4 576 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 577 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,1]=4 578 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 579 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,1]=4 580 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|1,0,1]=4 581 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|1,0,1]=4 582 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|1,0,1]=4 583 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,0]=3 584 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,0]=3 585 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,0]=3 586 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,0]=3 587 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 588 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 589 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|0,1,1]=4 590 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|0,1,1]=4 591 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [2,0,0,0,0,0|1,1,0]=4 592 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|0,0,1]=3 593 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|0,0,1]=3 594 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [2,0,0,0,0,0|1,0,0]=3 595 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [2,0,0,0,0,0|1,0,0]=3 596 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 597 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 598 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 599 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 600 B7R0.3 C#CC(C)SCC=C 62a_200000035995_100000210623 [1,1,0,0,0,0|0,0,2]=4 601 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,1,0,0,0,0|1,1,0]=4 602 B7R0.3 C=CC(C)SCC#N 62a_100011215867_100011215382 [1,1,0,0,0,0|1,0,1]=4 603 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,1,0,0,0,0|1,0,0]=3 604 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|0,0,2]=4 605 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [1,1,0,0,0,0|1,0,1]=4 606 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,1,0,0,0,0|1,0,1]=4 607 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [1,1,0,0,0,0|2,0,0]=4 613 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,1,0,0,0,0|1,0,1]=4 614 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [1,1,0,0,0,0|0,1,0]=3 617 B7R0.3 C=CCSC(C)C#N 62a_100000210623_100000703298 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.3 C=CCSC(C)C#N 62a_100000703298_100000210623 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [1,1,0,0,0,0|0,0,0]=2 620 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|0,0,2]=4 621 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|0,0,2]=4 622 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [1,1,0,0,0,0|1,0,1]=4 625 B7R0.3 C=CCSC(F)C#N 62a_100000210623_200000117898 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.3 C=CCSC(F)C#N 62a_200000117898_100000210623 [1,1,0,0,0,0|1,0,1]=4 627 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|1,0,1]=4 629 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [1,1,0,0,0,0|0,0,2]=4 630 B7R0.4 C#CCSCC(=C)F 62a_100000038162_100000042424 [1,1,0,0,0,0|0,0,2]=4 631 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,1]=4 632 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,1,0,0,0,0|1,1,0]=4 636 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [1,1,0,0,0,0|1,0,1]=4 638 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,1,0,0,0,0|1,0,0]=3 639 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,1,0,0,0,0|1,0,0]=3 640 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|0,0,2]=4 641 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|0,0,2]=4 642 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,1,0,0,0,0|1,0,1]=4 644 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,1,0,0,0,0|1,0,1]=4 648 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,1,0,0,0,0|1,0,1]=4 649 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,1,0,0,0,0|1,0,1]=4 650 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [1,1,0,0,0,0|1,1,0]=4 651 B7R0.4 C=C(F)CSCC#N 62a_100000042424_100011215382 [1,1,0,0,0,0|1,0,1]=4 652 B7R0.4 C=C(F)CSCC#N 62a_100011215382_100000042424 [1,1,0,0,0,0|1,0,1]=4 653 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [1,1,0,0,0,0|1,0,0]=3 654 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [1,1,0,0,0,0|1,0,0]=3 655 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|0,0,2]=4 656 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|0,0,2]=4 657 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [1,1,0,0,0,0|1,0,1]=4 658 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [1,1,0,0,0,0|1,0,1]=4 659 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [1,1,0,0,0,0|1,0,1]=4 660 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [1,1,0,0,0,0|1,0,1]=4 661 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [1,1,0,0,0,0|1,0,1]=4 662 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [1,1,0,0,0,0|1,0,1]=4 663 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [1,1,0,0,0,0|1,0,1]=4 664 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [1,1,0,0,0,0|1,0,1]=4 665 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 666 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 667 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 668 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,1,0,0,0,0|1,0,1]=4 669 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,1,0,0,0,0|1,0,1]=4 670 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [1,1,0,0,0,0|1,0,0]=3 671 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [1,1,0,0,0,0|1,0,0]=3 672 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,1,0,0,0,0|2,0,0]=4 673 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,1,0,0,0,0|2,0,0]=4 674 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|2,0,0]=4 675 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [1,1,0,0,0,0|0,1,0]=3 676 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [1,1,0,0,0,0|0,1,0]=3 677 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [1,1,0,0,0,0|0,1,0]=3 678 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [1,1,0,0,0,0|0,1,0]=3 679 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|0,1,1]=4 680 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,1,0,0,0,0|1,1,0]=4 681 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [1,1,0,0,0,0|1,1,0]=4 682 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [1,1,0,0,0,0|0,0,0]=2 683 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [1,1,0,0,0,0|0,0,0]=2 684 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [1,1,0,0,0,0|0,0,0]=2 685 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [1,1,0,0,0,0|0,0,0]=2 686 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,1,0,0,0,0|0,0,1]=3 687 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,1,0,0,0,0|1,0,0]=3 688 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,1,0,0,0,0|1,0,0]=3 689 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,1,0,0,0,0|0,0,1]=3 690 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [1,1,0,0,0,0|1,0,0]=3 691 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [1,1,0,0,0,0|1,0,0]=3 692 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,1,0,0,0,0|0,0,2]=4 693 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,1,0,0,0,0|0,0,2]=4 694 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,1,0,0,0,0|0,0,2]=4 695 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,1,0,0,0,0|0,0,2]=4 696 B7R0.4 C=CCSCC(F)F 62a_100000210623_100011934356 [1,1,0,0,0,0|1,0,1]=4 697 B7R0.4 C=CCSCC(F)F 62a_100011934356_100000210623 [1,1,0,0,0,0|1,0,1]=4 698 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,1,0,0,0,0|0,0,2]=4 699 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,1,0,0,0,0|0,0,2]=4 700 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,1,0,0,0,0|2,0,0]=4 705 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [1,1,0,0,0,0|1,0,0]=3 706 B7R0.7 C=CCN(C)CC=C 2230a_100000210471_200000210301 [1,1,0,0,0,0|1,0,0]=3 707 B7R0.7 C=CCN(C)CC=C 2230a_100000225617_100000210623 [1,1,0,0,0,0|1,0,0]=3 708 B7R0.7 C=CCN(C)CC=C 269982a_100000210471_200000210301 [1,1,0,0,0,0|1,0,0]=3 709 B7R0.7 C=CCN(C)CC=C 269982a_100000225617_100000210623 [1,1,0,0,0,0|1,0,0]=3 710 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.7 C=CCN([13CH3])CC=C 2230a_100000210471_200025704644 [1,1,0,0,0,0|1,0,0]=3 713 B7R0.7 C=CCN([13CH3])CC=C 269982a_100000210471_200025704644 [1,1,0,0,0,0|1,0,0]=3 714 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.4 C=CCCC(=O)CC(=C)F 1458a_100000749702_100009893438 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.4 C=CCCN(C)CC(=C)C 2230a_100000225649_100000754431 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.4 C=CCCN(C)CC(=C)C 2230a_100020639649_100000748629 [0,2,0,0,0,0|2,0,0]=4 718 B9R0.4 C=CCCN(C)CC(=C)C 269982a_100000225649_100000754431 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.4 C=CCCN(C)CC(=C)C 269982a_100020639649_100000748629 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.4 C=CCCN(C)CC(=C)F 2230a_100020639649_100009893438 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.4 C=CCCN(C)CC(=C)F 269982a_100020639649_100009893438 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.5 C=CCC(=O)CCOC=C 1458a_100000210193_100000039644 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.5 C=CCCCN(C)CC=C 2230a_100000225617_100011713584 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.5 C=CCCCN(C)CC=C 269982a_100000225617_100000757094 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.5 C=CCCNC(=O)CC=C 11a_100015191253_100000210193 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.5 C=CCCNC(=O)CC=C 1626a_100015191253_100000210193 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.5 C=CCCNC(=O)CC=C 240690a_100015191253_100000210193 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.5 C=CCCNC(=O)CC=C 527a_100015191253_100000210193 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.5 C=CCCOC(C)/C=C/C 34a_200102604097_100000754431 [0,2,0,0,0,0|1,1,0]=4 732 B9R0.5 C=CCCO[C@H](C)CC=C 34a_100000731007_100000754431 [0,2,0,0,0,0|1,1,0]=4 733 B9R0.5 C=CCCO[C@H](C)CC=C 7a_100000731007_100000754431 [0,2,0,0,0,0|1,1,0]=4 734 B9R0.5 C=CCN(C)CCOC=C 2230a_100000225617_100000039644 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.5 C=CCN(C)CCOC=C 269982a_100000225617_100000039644 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.5 C=CCNNC(=O)CC=C 22a_100020588587_100000210193 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.5 C=CCOCC(C)CC=C 34a_100009832082_100015514636 [0,2,0,0,0,0|1,1,0]=4 738 B9R0.5 C=CCOCC(C)CC=C 7a_100009832082_100015514636 [0,2,0,0,0,0|1,1,0]=4 739 B9R0.5 C=CCOC[C@H](N)CC=C 34a_100020615467_100015514636 [0,2,0,0,0,0|1,1,0]=4 740 B9R0.5 C=CCSCC(=O)CC=C 1458a_100000230395_100000210623 [0,2,0,0,0,0|1,0,0]=3 741 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,2,0,0,0,0|1,0,1]=4 742 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,2,0,0,0,0|1,0,1]=4 743 B9R0.5 C=CC[C@@H](C)OC/C=C/C 34a_100000731007_100102629194 [0,2,0,0,0,0|1,1,0]=4 744 B9R0.5 C=CC[C@@H](C)OC/C=C/C 7a_100000731007_100102629194 [0,2,0,0,0,0|1,1,0]=4 745 B9R0.5 C=CC[C@@H](C)OCC=CC 34a_100000731007_100000070051 [0,2,0,0,0,0|1,1,0]=4 746 B9R0.5 C=CC[C@@H](C)OCC=CC 7a_100000731007_100000070051 [0,2,0,0,0,0|1,1,0]=4 747 B9R0.8 C=CCCC(=O)C(C)C=C 1458a_100011216780_100000754431 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.8 C=CCCN(C)C(C)C=C 269982a_100020639649_100011215867 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.8 C=CCNC(=O)C(C)C=C 1626a_100020586998_100011216780 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.8 C=CCNC(=O)C(C)C=C 240690a_100020586998_100011216780 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.8 C=CCNC(=O)C(C)C=C 527a_100020586998_100011216780 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.8 C=CCO[C@H](C)[C@H](C)C=C 34a_100015455354_100015514636 [0,2,0,0,0,0|1,1,0]=4 753 B9R0.8 C=CCO[C@H](C)[C@H](C)C=C 7a_100015455354_100015514636 [0,2,0,0,0,0|1,1,0]=4 754 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [0,2,0,0,0,0|2,0,0]=4 757 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [0,2,0,0,0,0|2,0,0]=4 758 B9R0.18 C=CCCC(=O)NCC=C 1626a_100020586998_100000749702 [0,2,0,0,0,0|2,0,0]=4 759 B9R0.18 C=CCCC(=O)NCC=C 240690a_100020586998_100000749702 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.18 C=CCCC(=O)NCC=C 527a_100020586998_100000749702 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.18 C=CCCC(C)NCC=C 270004a_100020586998_100000762624 [0,2,0,0,0,0|2,0,0]=4 762 B9R0.18 C=CCCC(C)OCC=C 34a_100000765329_100015514636 [0,2,0,0,0,0|1,1,0]=4 763 B9R0.18 C=CCCC(C)OCC=C 7a_100000765329_100015514636 [0,2,0,0,0,0|1,1,0]=4 764 B9R0.18 C=CCCN(C)C/C=C/C 269982a_100020639649_100102629194 [0,2,0,0,0,0|2,0,0]=4 765 B9R0.18 C=CCCN(C)CC=CC 2230a_100020639649_100000070051 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.18 C=CCCN(C)CCC=C 2230a_100020639649_100000754431 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.18 C=CCCN(C)CCC=C 269982a_100020639649_100000754431 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.18 C=CCNC(=O)NCC=C 273464a_100020586998_100020586998 [0,2,0,0,0,0|2,0,0]=4 772 B9R0.18 C=CCNC(=O)NCC=C 512a_100020586998_100020586998 [0,2,0,0,0,0|2,0,0]=4 773 B9R0.34 C=CCC(=O)CC(C)C=C 1458a_100011934298_100000210623 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.34 C=CCN(C)CC(O)C=C 2230a_100000225617_100000730141 [0,2,0,0,0,0|2,0,0]=4 775 B9R0.35 C=CCC(=O)C(C)CC=C 1458a_100011216819_100000210623 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.35 C=CCC(=O)N(C)CC=C 11a_100000225617_100000210193 [0,2,0,0,0,0|2,0,0]=4 777 B9R0.35 C=CCC(=O)N(C)CC=C 1626a_100000225617_100000210193 [0,2,0,0,0,0|2,0,0]=4 778 B9R0.35 C=CCC(=O)N(C)CC=C 240690a_100000225617_100000210193 [0,2,0,0,0,0|2,0,0]=4 779 B9R0.35 C=CCC(=O)N(C)CC=C 527a_100000225617_100000210193 [0,2,0,0,0,0|2,0,0]=4 780 B9R0.40 C=CCN[C@@H](CO)CC=C 2230a_100020615467_100000210623 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.40 C=CCOC(C=C)CC=C 34a_100000038011_100015514636 [0,2,0,0,0,0|1,1,0]=4 782 B9R0.40 C=CCOC(C=C)CC=C 7a_100000038011_100015514636 [0,2,0,0,0,0|1,1,0]=4 783 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.48 C=CCC(=O)NCC(=C)C 11a_100000765925_100000210193 [0,2,0,0,0,0|2,0,0]=4 786 B9R0.48 C=CCC(=O)NCC(=C)C 1626a_100000765925_100000210193 [0,2,0,0,0,0|2,0,0]=4 787 B9R0.48 C=CCC(=O)NCC(=C)C 240690a_100000765925_100000210193 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.48 C=CCC(=O)NCC(=C)C 527a_100000765925_100000210193 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.48 C=CCN(C)CCC(=C)C 2230a_100000225617_100000730704 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.48 C=CCN(C)CCC(=C)C 269982a_100000225617_100000730704 [0,2,0,0,0,0|2,0,0]=4 791 B9R0.48 C=CC[C@@H](C)OCC(=C)C 34a_100000731007_100000748629 [0,2,0,0,0,0|1,1,0]=4 792 B9R0.48 C=CC[C@@H](C)OCC(=C)C 7a_100000731007_100000748629 [0,2,0,0,0,0|1,1,0]=4 793 B9R0.48 C=CC[C@@H](C)OCC(=C)F 34a_100000731007_100009893438 [0,2,0,0,0,0|1,1,0]=4 794 B9R0.48 C=CC[C@@H](C)OCC(=C)F 7a_100000731007_100000042424 [0,2,0,0,0,0|1,1,0]=4 795 B9R0.66 C=CCNS(=O)(=O)CC=C 270084a_100020586998_100000751117 [0,2,0,0,0,0|1,0,1]=4 796 B9R0.66 C=CCNS(=O)(=O)CC=C 274078a_100020586998_100000751117 [0,2,0,0,0,0|1,0,1]=4 797 B9R0.66 C=CCOC(C)(C)CC=C 7a_100011995686_100015514636 [0,2,0,0,0,0|1,1,0]=4 798 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,2,0,0,0,0|1,0,1]=4 799 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,2,0,0,0,0|1,0,1]=4 800 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.2 C=C(Br)CCOC/C=C/C 34a_100009813270_100102629194 [0,2,0,0,0,0|1,1,0]=4 803 B9R0.2 C=C(Br)CCOCC=CC 34a_100009813270_100000070051 [0,2,0,0,0,0|1,1,0]=4 804 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [0,2,0,0,0,0|1,1,0]=4 805 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [0,2,0,0,0,0|1,1,0]=4 806 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [0,2,0,0,0,0|1,1,0]=4 807 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [0,2,0,0,0,0|1,0,0]=3 808 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [0,2,0,0,0,0|1,0,0]=3 809 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [0,2,0,0,0,0|1,0,0]=3 810 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [0,2,0,0,0,0|1,0,0]=3 811 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [0,2,0,0,0,0|1,1,0]=4 812 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,2,0,0,0,0|1,0,1]=4 813 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,2,0,0,0,0|1,0,1]=4 814 B9R0.2 C=C(F)COCC/C=C/C 34a_100016278192_100009893438 [0,2,0,0,0,0|1,1,0]=4 815 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [0,2,0,0,0,0|1,0,1]=4 816 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [0,2,0,0,0,0|1,0,1]=4 817 B9R0.2 C=CCCCNCC(=C)C 2230a_100000700776_100000748629 [0,2,0,0,0,0|2,0,0]=4 818 B9R0.2 C=CCCCNCC(=C)C 34a_100000700776_100000748629 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.2 C=CCCCNCC(=C)F 2230a_100000700776_100009893438 [0,2,0,0,0,0|2,0,0]=4 820 B9R0.2 C=CCCCNCC(=C)F 34a_100000700776_100009893438 [0,2,0,0,0,0|2,0,0]=4 821 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,2,0,0,0,0|1,1,0]=4 822 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,2,0,0,0,0|1,1,0]=4 823 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,2,0,0,0,0|1,1,0]=4 824 B9R0.2 C=CCCCOCC(=C)F 34a_100000758997_100009893438 [0,2,0,0,0,0|1,1,0]=4 825 B9R0.2 C=CCCCOCC(=C)F 34a_200010262243_100000757094 [0,2,0,0,0,0|1,1,0]=4 826 B9R0.2 C=CCCCOCC(=C)F 7a_100000758997_100000042424 [0,2,0,0,0,0|1,1,0]=4 827 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,2,0,0,0,0|1,0,0]=3 828 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,2,0,0,0,0|1,0,0]=3 829 B9R0.2 C=CCCCSCC(=C)F 62a_100000042424_100000757094 [0,2,0,0,0,0|1,0,0]=3 830 B9R0.2 C=CCCCSCC(=C)F 62a_100011713584_100000042424 [0,2,0,0,0,0|1,0,0]=3 831 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,2,0,0,0,0|2,0,0]=4 832 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,2,0,0,0,0|2,0,0]=4 833 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,2,0,0,0,0|2,0,0]=4 834 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,2,0,0,0,0|2,0,0]=4 835 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [0,2,0,0,0,0|2,0,0]=4 836 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [0,2,0,0,0,0|2,0,0]=4 837 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,2,0,0,0,0|2,0,0]=4 838 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [0,2,0,0,0,0|1,1,0]=4 839 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [0,2,0,0,0,0|1,1,0]=4 840 B9R0.2 C=CCCOCCC(=C)Br 34a_100009813270_100000754431 [0,2,0,0,0,0|1,1,0]=4 841 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,2,0,0,0,0|1,1,0]=4 842 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,2,0,0,0,0|1,1,0]=4 843 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [0,2,0,0,0,0|1,0,0]=3 844 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [0,2,0,0,0,0|1,0,0]=3 845 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,2,0,0,0,0|1,0,0]=3 846 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,2,0,0,0,0|1,0,0]=3 847 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,2,0,0,0,0|1,0,1]=4 848 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,2,0,0,0,0|1,0,1]=4 849 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,2,0,0,0,0|1,0,1]=4 850 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,2,0,0,0,0|1,0,1]=4 851 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,2,0,0,0,0|1,0,1]=4 852 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,2,0,0,0,0|1,0,1]=4 853 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [0,2,0,0,0,0|2,0,0]=4 854 B9R0.2 C=CCNCCC=C(F)F 2230a_100020586998_200009816681 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [0,2,0,0,0,0|1,1,0]=4 856 B9R0.2 C=CCOCCC=C(F)F 34a_200000210373_200009816681 [0,2,0,0,0,0|1,1,0]=4 857 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [0,2,0,0,0,0|1,0,0]=3 858 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [0,2,0,0,0,0|1,0,0]=3 859 B9R0.2 C=CCSCCC=C(F)F 62a_100000210623_200009816681 [0,2,0,0,0,0|1,0,0]=3 860 B9R0.2 C=CCSCCC=C(F)F 62a_200009816681_100000210623 [0,2,0,0,0,0|1,0,0]=3 861 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,2,0,0,0,0|1,0,1]=4 862 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,2,0,0,0,0|1,0,1]=4 863 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,2,0,0,0,0|1,0,1]=4 864 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,2,0,0,0,0|1,0,1]=4 865 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,2,0,0,0,0|1,0,1]=4 866 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,2,0,0,0,0|1,0,1]=4 867 B9R0.2 C=CCSCCNC(=O)N 62a_100000210623_200000034859 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.2 C=CCSCCNC(=O)N 62a_200000034859_100000210623 [0,2,0,0,0,0|2,0,0]=4 869 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,2,0,0,0,0|1,0,1]=4 870 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,2,0,0,0,0|1,0,1]=4 871 B9R0.2 C=CCSCCOC(=O)N 62a_100000210623_200011214921 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.2 C=CCSCCOC(=O)N 62a_200011214921_100000210623 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.2 C=COCCOCC(=C)C 34a_100000033082_100000748629 [0,2,0,0,0,0|1,1,0]=4 874 B9R0.2 C=COCCOCC(=C)C 34a_100000210245_100000039644 [0,2,0,0,0,0|1,1,0]=4 875 B9R0.2 C=COCCOCC(=C)F 34a_100000033082_100009893438 [0,2,0,0,0,0|1,1,0]=4 876 B9R0.2 C=COCCOCC(=C)F 34a_200010262243_100000039644 [0,2,0,0,0,0|1,1,0]=4 877 B9R0.2 C=COCCSCC(=C)C 62a_100000039644_100000211660 [0,2,0,0,0,0|1,0,0]=3 878 B9R0.2 C=COCCSCC(=C)C 62a_100000748629_100000039644 [0,2,0,0,0,0|1,0,0]=3 879 B9R0.2 C=COCCSCC(=C)F 62a_100000039644_100000042424 [0,2,0,0,0,0|1,0,0]=3 880 B9R0.2 C=COCCSCC(=C)F 62a_100000042424_100000039644 [0,2,0,0,0,0|1,0,0]=3 881 B9R0.2 C=COCCSCC(=O)N 62a_100000039644_100000747473 [0,2,0,0,0,0|2,0,0]=4 882 B9R0.2 C=COCCSCC(=O)N 62a_100000747473_100000039644 [0,2,0,0,0,0|2,0,0]=4 883 B9R0.2 C=COCCSCC(=O)[O-] 62a_100000039644_100020667443 [0,2,0,0,0,0|2,0,0]=4 884 B9R0.2 C=COCCSCC(=O)[O-] 62a_100020667443_100000039644 [0,2,0,0,0,0|2,0,0]=4 885 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [0,2,0,0,0,0|2,0,0]=4 886 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [0,2,0,0,0,0|2,0,0]=4 887 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,2,0,0,0,0|1,0,1]=4 888 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,2,0,0,0,0|1,0,1]=4 889 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,2,0,0,0,0|2,0,0]=4 890 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.2 O=CCSCCC=C(F)F 62a_200009816681_200015260668 [0,2,0,0,0,0|2,0,0]=4 892 B9R0.2 O=CCSCCC=C(F)F 62a_200015260668_200009816681 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.45 C/C=C/CCOC/C=C/C 34a_100016278192_100102629194 [0,2,0,0,0,0|1,1,0]=4 894 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,2,0,0,0,0|1,0,1]=4 895 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,2,0,0,0,0|1,0,1]=4 896 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [0,2,0,0,0,0|2,0,0]=4 897 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [0,2,0,0,0,0|2,0,0]=4 898 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [0,2,0,0,0,0|2,0,0]=4 899 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [0,2,0,0,0,0|1,1,0]=4 900 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [0,2,0,0,0,0|1,1,0]=4 901 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [0,2,0,0,0,0|1,1,0]=4 902 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [0,2,0,0,0,0|1,0,0]=3 903 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [0,2,0,0,0,0|1,0,0]=3 904 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [0,2,0,0,0,0|2,0,0]=4 905 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [0,2,0,0,0,0|2,0,0]=4 906 B9R0.45 C=CCCCNC/C=C/C 34a_100000700776_100102629194 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.45 C=CCCCNCC=CC 2230a_100000700776_100000070051 [0,2,0,0,0,0|2,0,0]=4 908 B9R0.45 C=CCCCNCC=CC 34a_100000700776_100000070051 [0,2,0,0,0,0|2,0,0]=4 909 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [0,2,0,0,0,0|2,0,0]=4 910 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [0,2,0,0,0,0|2,0,0]=4 911 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [0,2,0,0,0,0|2,0,0]=4 912 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [0,2,0,0,0,0|1,1,0]=4 913 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [0,2,0,0,0,0|1,1,0]=4 914 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [0,2,0,0,0,0|1,1,0]=4 915 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [0,2,0,0,0,0|1,1,0]=4 916 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [0,2,0,0,0,0|1,1,0]=4 917 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [0,2,0,0,0,0|1,1,0]=4 918 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [0,2,0,0,0,0|1,1,0]=4 919 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [0,2,0,0,0,0|1,1,0]=4 920 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [0,2,0,0,0,0|1,0,0]=3 921 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [0,2,0,0,0,0|1,0,0]=3 922 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [0,2,0,0,0,0|1,0,0]=3 923 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [0,2,0,0,0,0|1,0,0]=3 924 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [0,2,0,0,0,0|1,0,0]=3 925 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [0,2,0,0,0,0|1,0,0]=3 926 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,2,0,0,0,0|2,0,0]=4 927 B9R0.45 C=CCCNCCOC=C 2230a_100015191253_100000039644 [0,2,0,0,0,0|2,0,0]=4 928 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,2,0,0,0,0|1,1,0]=4 929 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,2,0,0,0,0|1,1,0]=4 930 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,2,0,0,0,0|1,1,0]=4 931 B9R0.45 C=CCCOCCOC=C 34a_100000033082_100000754431 [0,2,0,0,0,0|1,1,0]=4 932 B9R0.45 C=CCCOCCOC=C 34a_100011205117_100000039644 [0,2,0,0,0,0|1,1,0]=4 933 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,2,0,0,0,0|1,0,0]=3 934 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,2,0,0,0,0|1,0,0]=3 935 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [0,2,0,0,0,0|1,0,1]=4 936 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [0,2,0,0,0,0|1,0,1]=4 937 B9R0.45 C=CCCSCCOC=C 62a_100000039644_100000754431 [0,2,0,0,0,0|1,0,0]=3 938 B9R0.45 C=CCCSCCOC=C 62a_100000754431_100000039644 [0,2,0,0,0,0|1,0,0]=3 939 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,2,0,0,0,0|2,0,0]=4 940 B9R0.45 C=CCNCCCOC=C 2230a_100000210767_100000210623 [0,2,0,0,0,0|2,0,0]=4 941 B9R0.45 C=CCNCCCOC=C 34a_100000210767_100015514636 [0,2,0,0,0,0|2,0,0]=4 942 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,2,0,0,0,0|1,1,0]=4 943 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,2,0,0,0,0|1,1,0]=4 944 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,2,0,0,0,0|1,1,0]=4 945 B9R0.45 C=CCOCCC=C=CC 34a_100011020354_100015514636 [0,2,0,0,0,0|1,1,0]=4 946 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [0,2,0,0,0,0|1,1,0]=4 947 B9R0.45 C=CCOCCOCC=C 34a_100000037705_100015514636 [0,2,0,0,0,0|0,2,0]=4 948 B9R0.45 C=CCOCCOCC=C 7a_100000037705_100015514636 [0,2,0,0,0,0|0,2,0]=4 949 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,2,0,0,0,0|1,0,0]=3 950 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,2,0,0,0,0|1,0,0]=3 951 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,2,0,0,0,0|1,0,1]=4 952 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,2,0,0,0,0|1,0,1]=4 953 B9R0.45 C=COCCOC/C=C/C 34a_100000033082_100102629194 [0,2,0,0,0,0|1,1,0]=4 954 B9R0.45 C=COCCOC/C=C/C 34a_100016270725_100000039644 [0,2,0,0,0,0|1,1,0]=4 955 B9R0.45 C=COCCOCC=CC 34a_100000033082_100000070051 [0,2,0,0,0,0|1,1,0]=4 956 B9R0.45 C=COCCSC/C=C/C 62a_100000039644_100102629194 [0,2,0,0,0,0|1,0,0]=3 957 B9R0.45 C=COCCSC/C=C/C 62a_100102629194_100000039644 [0,2,0,0,0,0|1,0,0]=3 958 B9R0.45 C=COCCSCC=CC 62a_100000039644_100000070051 [0,2,0,0,0,0|1,0,0]=3 959 B9R0.45 C=COCCSCC=CC 62a_100000070051_100000039644 [0,2,0,0,0,0|1,0,0]=3 960 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,2,0,0,0,0|2,0,0]=4 961 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,2,0,0,0,0|2,0,0]=4 962 B9R0.45 CC=CCOCC/C=C/C 34a_100016278192_100000070051 [0,2,0,0,0,0|1,1,0]=4 963 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,2,0,0,0,0|1,0,1]=4 964 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,2,0,0,0,0|1,0,1]=4 965 B9R0.46 C=CC(C)COC/C=C/C 34a_100011215527_100102629194 [0,2,0,0,0,0|1,1,0]=4 966 B9R0.46 C=CC(C)COC/C=C/C 7a_100011215527_100102629194 [0,2,0,0,0,0|1,1,0]=4 967 B9R0.46 C=CC(C)COCC=CC 34a_100011215527_100000070051 [0,2,0,0,0,0|1,1,0]=4 968 B9R0.46 C=CC(C)COCC=CC 7a_100011215527_100000070051 [0,2,0,0,0,0|1,1,0]=4 969 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [0,2,0,0,0,0|1,0,1]=4 970 B9R0.46 C=CC(O)COC/C=C/C 34a_100016270725_100000730141 [0,2,0,0,0,0|1,1,0]=4 971 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [0,2,0,0,0,0|1,0,0]=3 972 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [0,2,0,0,0,0|1,0,0]=3 973 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [0,2,0,0,0,0|1,0,0]=3 974 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [0,2,0,0,0,0|1,0,0]=3 975 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,2,0,0,0,0|2,0,0]=4 976 B9R0.46 C=CCCCOC(C)C=C 34a_100000695699_100000757094 [0,2,0,0,0,0|1,1,0]=4 977 B9R0.46 C=CCCCSC(C)C=C 62a_100011215867_100000757094 [0,2,0,0,0,0|1,0,0]=3 978 B9R0.46 C=CCCNCC(=C)C#N 2230a_100015191253_100000694840 [0,2,0,0,0,0|2,0,0]=4 979 B9R0.46 C=CCCNCC(O)C=C 2230a_100015191253_100000730141 [0,2,0,0,0,0|2,0,0]=4 980 B9R0.46 C=CCCOCC(=C)C#N 34a_100011205117_100000694840 [0,2,0,0,0,0|1,1,0]=4 981 B9R0.46 C=CCCOCC(C)C=C 34a_100011215527_100000754431 [0,2,0,0,0,0|1,1,0]=4 982 B9R0.46 C=CCCOCC(C)C=C 7a_100011215527_100000754431 [0,2,0,0,0,0|1,1,0]=4 983 B9R0.46 C=CCCOCC(O)C=C 34a_100011205117_100000730141 [0,2,0,0,0,0|1,1,0]=4 984 B9R0.46 C=CCCOC[C@@H](N)C=C 34a_100016989147_100000754431 [0,2,0,0,0,0|1,1,0]=4 985 B9R0.46 C=CCCSCC(=C)C#N 62a_100000754431_100000694840 [0,2,0,0,0,0|1,0,0]=3 986 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,2,0,0,0,0|1,0,1]=4 987 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,2,0,0,0,0|1,0,1]=4 989 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,2,0,0,0,0|1,0,1]=4 990 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|1,0,1]=4 991 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|1,0,1]=4 992 B9R0.46 C=CCCSCC(O)C=C 62a_100000730141_100000754431 [0,2,0,0,0,0|1,0,0]=3 993 B9R0.46 C=CCCSCC(O)C=C 62a_100000754431_100000730141 [0,2,0,0,0,0|1,0,0]=3 994 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|1,0,1]=4 995 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|1,0,1]=4 996 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|1,0,1]=4 997 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|1,0,1]=4 998 B9R0.46 C=COCCOC(C)C=C 34a_100000695699_100000039644 [0,2,0,0,0,0|1,1,0]=4 999 B9R0.46 C=COCCSC(C)C=C 62a_100011215867_100000039644 [0,2,0,0,0,0|1,0,0]=3 1000 B9R0.46 C=C[C@H](N)COC/C=C/C 34a_100016989147_100102629194 [0,2,0,0,0,0|1,1,0]=4 1001 B9R0.46 C=C[C@H](N)COCC=CC 34a_100016989147_100000070051 [0,2,0,0,0,0|1,1,0]=4 1002 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [0,2,0,0,0,0|1,1,0]=4 1003 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [0,2,0,0,0,0|1,1,0]=4 1004 B9R0.1 C=CC(C)COCC(=C)F 34a_100011215527_100009893438 [0,2,0,0,0,0|1,1,0]=4 1005 B9R0.1 C=CC(C)COCC(=C)F 7a_100011215527_100000042424 [0,2,0,0,0,0|1,1,0]=4 1006 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [0,2,0,0,0,0|1,1,0]=4 1007 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [0,2,0,0,0,0|1,0,0]=3 1008 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,2,0,0,0,0|1,0,1]=4 1009 B9R0.1 C=CC(C)SCCC(=O)N 62a_100011215867_100000744528 [0,2,0,0,0,0|2,0,0]=4 1010 B9R0.1 C=CC(O)COCC(=C)C 34a_100000210245_100000730141 [0,2,0,0,0,0|1,1,0]=4 1011 B9R0.1 C=CC(O)COCC(=C)F 34a_200010262243_100000730141 [0,2,0,0,0,0|1,1,0]=4 1012 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [0,2,0,0,0,0|1,0,0]=3 1013 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [0,2,0,0,0,0|1,0,0]=3 1014 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000042424_100000730141 [0,2,0,0,0,0|1,0,0]=3 1015 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000730141_100000042424 [0,2,0,0,0,0|1,0,0]=3 1016 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [0,2,0,0,0,0|2,0,0]=4 1020 B9R0.1 C=C[C@H](N)COCC(=C)C 34a_100016989147_100000748629 [0,2,0,0,0,0|1,1,0]=4 1021 B9R0.1 C=C[C@H](N)COCC(=C)F 34a_100016989147_100009893438 [0,2,0,0,0,0|1,1,0]=4 1022 B9R0.20 C=CCCOC(C)(C)C=C 34a_100011215311_100000754431 [0,2,0,0,0,0|1,1,0]=4 1023 B9R0.20 C=CCCOC(C)(C)C=C 7a_100011215311_100000754431 [0,2,0,0,0,0|1,1,0]=4 1024 B9R0.20 C=CCCSC(F)(F)C=C 62a_100000754431_100009814244 [0,2,0,0,0,0|1,0,0]=3 1025 B9R0.20 C=CCCSC(F)(F)C=C 62a_100009814244_100000754431 [0,2,0,0,0,0|1,0,0]=3 1026 B9R0.20 C=CCSC[Si](C)(C)C=C 62a_100000038793_100000210623 [0,2,0,0,0,0|1,1,0]=4 1027 B9R0.20 C=CCSC[Si](C)(C)C=C 62a_100000210623_100000038793 [0,2,0,0,0,0|1,1,0]=4 1028 B9R0.24 C=CC(O)COC(C)C=C 34a_100000695699_100000730141 [0,2,0,0,0,0|1,1,0]=4 1029 B9R0.24 C=CC(O)CSC(C)C=C 62a_100011215867_100000730141 [0,2,0,0,0,0|1,0,0]=3 1030 B9R0.47 C=CCCNC(C)C(=C)C 269862a_100015191253_100011216138 [0,2,0,0,0,0|2,0,0]=4 1031 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,2,0,0,0,0|1,0,1]=4 1032 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,2,0,0,0,0|1,0,1]=4 1033 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [0,2,0,0,0,0|2,0,0]=4 1034 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [0,2,0,0,0,0|2,0,0]=4 1035 B9R0.47 C=CCCSC(F)C(=O)N 62a_100000754431_100009813875 [0,2,0,0,0,0|2,0,0]=4 1036 B9R0.47 C=CCCSC(F)C(=O)N 62a_100009813875_100000754431 [0,2,0,0,0,0|2,0,0]=4 1037 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100000754431_100020610796 [0,2,0,0,0,0|2,0,0]=4 1038 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100020610796_100000754431 [0,2,0,0,0,0|2,0,0]=4 1039 B9R0.50 C=CCCN[C@@H](C=C)CO 2230a_100016989147_100000754431 [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.50 C=CCCN[C@@H](C=C)CO 34a_100016989147_100000754431 [0,2,0,0,0,0|2,0,0]=4 1041 B9R0.50 C=CCCOC(C=C)C=C 34a_100000033096_100000754431 [0,2,0,0,0,0|1,1,0]=4 1042 B9R0.50 C=CCCOC(C=C)CC 34a_100000766422_100000754431 [0,2,0,0,0,0|1,1,0]=4 1043 B9R0.50 C=CCCOC(C=C)CC 7a_100000766422_100000754431 [0,2,0,0,0,0|1,1,0]=4 1044 B9R0.50 C=CCCSC(C=O)C=O 62a_100000736813_100000754431 [0,2,0,0,0,0|2,0,0]=4 1045 B9R0.50 C=CCCSC(C=O)C=O 62a_100000754431_100000736813 [0,2,0,0,0,0|2,0,0]=4 1046 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000210245_100000730704 [0,2,0,0,0,0|1,1,0]=4 1047 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000764851_100000748629 [0,2,0,0,0,0|1,1,0]=4 1048 B9R0.55 C=C(C)CCOCC(=C)F 34a_100000764851_100009893438 [0,2,0,0,0,0|1,1,0]=4 1049 B9R0.55 C=C(C)CCOCC(=C)F 34a_200010262243_100000730704 [0,2,0,0,0,0|1,1,0]=4 1050 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [0,2,0,0,0,0|1,0,0]=3 1051 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [0,2,0,0,0,0|1,0,0]=3 1052 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000042424_100000730704 [0,2,0,0,0,0|1,0,0]=3 1053 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000730704_100000042424 [0,2,0,0,0,0|1,0,0]=3 1054 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,2,0,0,0,0|2,0,0]=4 1055 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,2,0,0,0,0|2,0,0]=4 1056 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,2,0,0,0,0|2,0,0]=4 1057 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.55 C=C(C)COCCC(=C)Br 34a_100009813270_100000748629 [0,2,0,0,0,0|1,1,0]=4 1059 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,2,0,0,0,0|1,0,1]=4 1060 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,2,0,0,0,0|1,0,1]=4 1061 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,2,0,0,0,0|2,0,0]=4 1062 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,2,0,0,0,0|2,0,0]=4 1063 B9R0.55 C=C(F)COCCC(=C)Br 34a_100009813270_100009893438 [0,2,0,0,0,0|1,1,0]=4 1064 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,2,0,0,0,0|1,0,1]=4 1065 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,2,0,0,0,0|1,0,1]=4 1066 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [0,2,0,0,0,0|2,0,0]=4 1067 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [0,2,0,0,0,0|2,0,0]=4 1068 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,1,0,0|0,0,2]=4 1069 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,1,0,0|1,0,1]=4 1070 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,1,0,0|1,0,1]=4 1071 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [1,0,0,1,0,0|0,0,2]=4 1072 B9R1.8 C=CCN1CC=CCC1 2230a_100000698166_100000210623 [0,1,0,1,0,0|2,0,0]=4 1073 B9R1.8 C=CCN1CC=CCC1 269982a_100000698166_100000210623 [0,1,0,1,0,0|2,0,0]=4 1074 B9R1.8 C=CCN1CC=CCC1 34a_100000698166_100015514636 [0,1,0,1,0,0|2,0,0]=4 1075 B9R1.9 C=CCNC1CC(=C)C1 2230a_100132301982_100000210623 [0,1,0,1,0,0|2,0,0]=4 1076 B9R1.9 C=CCSC1CC(=O)C1 62a_100009894365_100000210623 [0,1,0,1,0,0|1,0,1]=4 1077 B9R1.12 C=CCCN1CC=CC1 269982a_100015195280_100000754431 [0,1,0,1,0,0|2,0,0]=4 1078 B9R1.12 C=CCNC1CC=CC1 2230a_100015188752_100000210623 [0,1,0,1,0,0|2,0,0]=4 1079 B9R1.12 C=CCSc1c[nH]cn1 62a_100000210623_100000756875 [0,1,0,1,0,0|2,0,0]=4 1080 B9R1.12 C=CCSc1c[nH]cn1 62a_100000756875_100000210623 [0,1,0,1,0,0|2,0,0]=4 1081 B9R1.12 C=CCSc1cc[nH]n1 62a_100000062575_100000210623 [0,1,0,1,0,0|2,0,0]=4 1082 B9R1.12 C=CCSc1cc[nH]n1 62a_100000210623_100000062575 [0,1,0,1,0,0|2,0,0]=4 1083 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,1,0,1,0,0|0,1,1]=4 1084 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,1,0,1,0,0|0,1,1]=4 1085 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,1,0,1,0,0|0,0,1]=3 1086 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,1,0,1,0,0|0,0,1]=3 1087 B9R1.12 C=CCSc1ccoc1 62a_100000210623_100011215275 [0,1,0,1,0,0|1,0,1]=4 1088 B9R1.12 C=CCSc1ccoc1 62a_100011215275_100000210623 [0,1,0,1,0,0|1,0,1]=4 1089 B9R1.12 C=CCSc1ccon1 62a_100000210623_100009818083 [0,1,0,1,0,0|2,0,0]=4 1090 B9R1.12 C=CCSc1ccon1 62a_100009818083_100000210623 [0,1,0,1,0,0|2,0,0]=4 1091 B9R1.12 C=CCSc1ccsc1 62a_100000210623_100000738268 [0,1,0,1,0,0|1,0,1]=4 1092 B9R1.12 C=CCSc1ccsc1 62a_100000738268_100000210623 [0,1,0,1,0,0|1,0,1]=4 1093 B9R1.12 C=CCSc1ccsn1 62a_100000210623_100009818082 [0,1,0,1,0,0|2,0,0]=4 1094 B9R1.12 C=CCSc1ccsn1 62a_100009818082_100000210623 [0,1,0,1,0,0|2,0,0]=4 1095 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,1,0,1,0,0|2,0,0]=4 1096 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,1,0,1,0,0|2,0,0]=4 1097 B9R1.12 C=CCSc1cncs1 62a_100000210623_100011934649 [0,1,0,1,0,0|1,0,1]=4 1098 B9R1.12 C=CCSc1cncs1 62a_100011934649_100000210623 [0,1,0,1,0,0|1,0,1]=4 1099 B9R1.12 C=CCSc1cscn1 62a_100000210623_100000751502 [0,1,0,1,0,0|2,0,0]=4 1100 B9R1.12 C=CCSc1cscn1 62a_100000751502_100000210623 [0,1,0,1,0,0|2,0,0]=4 1101 B9R1.12 C=CCSc1ncc[nH]1 62a_100000210623_100025796157 [0,1,0,1,0,0|2,0,0]=4 1102 B9R1.12 C=CCSc1ncc[nH]1 62a_100025796157_100000210623 [0,1,0,1,0,0|2,0,0]=4 1103 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,1,0,1,0,0|2,0,0]=4 1104 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,1,0,1,0,0|2,0,0]=4 1105 B9R1.12 C=CCSc1nccs1 62a_100000210623_100000211983 [0,1,0,1,0,0|1,0,1]=4 1106 B9R1.12 C=CCSc1nccs1 62a_100000211983_100000210623 [0,1,0,1,0,0|1,0,1]=4 1107 B9R1.12 C=CCSc1ncns1 62a_100000210623_100000693119 [0,1,0,1,0,0|2,0,0]=4 1108 B9R1.12 C=CCSc1ncns1 62a_100000693119_100000210623 [0,1,0,1,0,0|2,0,0]=4 1109 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,1,0,1,0,0|1,0,1]=4 1110 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,1,0,1,0,0|1,0,1]=4 1111 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,1,0,1,0,0|1,0,1]=4 1112 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,1,0,1,0,0|1,0,1]=4