0 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.3 C#CCCCCCCSCC=C 62a_100000210623_100012276617 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 C#CCCCCCCSCC=C 62a_100012276617_100000210623 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [0,0,0,0,0,0|1,0,2]=3 14 B11R0.3 C#CCCCCCNCCC=C 2230a_100015191253_100012094781 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [0,0,0,0,0,0|2,0,1]=3 18 B11R0.3 C#CCCCCCSCCC=C 62a_100000754431_100012094781 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.3 C#CCCCCCSCCC=C 62a_100012094781_100000754431 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.3 C#CCCCCNCCCC=C 2230a_100000700776_100010269958 [0,0,0,0,0,0|2,0,1]=3 21 B11R0.3 C#CCCCCNCCCC=C 2230a_100000706060_100011713584 [0,0,0,0,0,0|2,0,1]=3 22 B11R0.3 C#CCCCCNCCCC=C 34a_100000700776_100010269958 [0,0,0,0,0,0|2,0,1]=3 23 B11R0.3 C#CCCCCNCCCC=C 34a_100000706060_100000757094 [0,0,0,0,0,0|2,0,1]=3 24 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.3 C#CCCCCNCCOC=C 2230a_100000706060_100000039644 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.3 C#CCCCCNCCOC=C 34a_100000706060_100000039644 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [0,0,0,0,0,0|2,0,1]=3 28 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [0,0,0,0,0,0|2,0,1]=3 29 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [0,0,0,0,0,0|2,0,1]=3 31 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.3 C#CCCCCOCCOC=C 34a_100000033082_100010269958 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.3 C#CCCCCOCCOC=C 34a_100000766709_100000039644 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.3 C#CCCCCOCCOC=C 7a_100000766709_100000039644 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.3 C#CCCCCSCCCC=C 62a_100010269958_100000757094 [0,0,0,0,0,0|2,0,1]=3 36 B11R0.3 C#CCCCCSCCCC=C 62a_100011713584_100010269958 [0,0,0,0,0,0|2,0,1]=3 37 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [0,0,0,0,0,0|1,0,2]=3 38 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.3 C#CCCCCSCCOC=C 62a_100000039644_100010269958 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.3 C#CCCCCSCCOC=C 62a_100010269958_100000039644 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.3 C#CCCCNCCCCC=C 2230a_100000703577_100000731252 [0,0,0,0,0,0|2,0,1]=3 42 B11R0.3 C#CCCCNCCCCC=C 34a_100000703577_100000695029 [0,0,0,0,0,0|2,0,1]=3 43 B11R0.3 C#CCCCNCCCCC=C 34a_100000718082_100011215482 [0,0,0,0,0,0|2,0,1]=3 44 B11R0.3 C#CCCCNCCCOC=C 2230a_100000210767_100000731252 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.3 C#CCCCNCCCOC=C 34a_100000210767_100000695029 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [0,0,0,0,0,0|2,0,1]=3 47 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [0,0,0,0,0,0|2,0,1]=3 48 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [0,0,0,0,0,0|2,0,1]=3 49 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [0,0,0,0,0,0|2,0,1]=3 50 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,0,0,0,0,0|1,0,2]=3 51 B11R0.3 C#CCCCOCCOCC=C 34a_100000037705_100000695029 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.3 C#CCCCOCCOCC=C 7a_100000037705_100011215417 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.3 C#CCCCSCCCCC=C 62a_100011215417_100011215482 [0,0,0,0,0,0|2,0,1]=3 54 B11R0.3 C#CCCCSCCCCC=C 62a_100011215482_100011215417 [0,0,0,0,0,0|2,0,1]=3 55 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [0,0,0,0,0,0|1,0,2]=3 56 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [0,0,0,0,0,0|1,0,2]=3 57 B11R0.3 C#CCCNCCCCCC=C 34a_100000755551_100000700193 [0,0,0,0,0,0|2,0,1]=3 58 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [0,0,0,0,0,0|2,0,1]=3 59 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [0,0,0,0,0,0|2,0,1]=3 60 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [0,0,0,0,0,0|2,0,1]=3 61 B11R0.3 C#CCCOCCCCOC=C 34a_100000031558_100000688953 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.3 C#CCCOCCCCOC=C 7a_100000031558_100000688953 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.3 C#CCCSCCCCCC=C 62a_100000688953_100000700193 [0,0,0,0,0,0|2,0,1]=3 64 B11R0.3 C#CCCSCCCCCC=C 62a_100000700193_100000688953 [0,0,0,0,0,0|2,0,1]=3 65 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [0,0,0,0,0,0|1,0,2]=3 66 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [0,0,0,0,0,0|1,0,2]=3 67 B11R0.3 C#CCNCCCCCCC=C 34a_100000212058_100011215473 [0,0,0,0,0,0|2,0,1]=3 68 B11R0.3 C#CCOCCCCCCC=C 34a_100000210247_100011215473 [0,0,0,0,0,0|2,0,1]=3 69 B11R0.3 C#CCOCCCCCCC=C 34a_200011216477_100000184674 [0,0,0,0,0,0|2,0,1]=3 70 B11R0.3 C#CCOCCCCCCC=C 7a_200011216477_100000038162 [0,0,0,0,0,0|2,0,1]=3 71 B11R0.3 C#CCOCCNCCCC=C 2230a_100000700776_100010402529 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.3 C#CCOCCNCCCC=C 2230a_100000700922_100011713584 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.3 C#CCOCCNCCCC=C 34a_100000700776_100010402529 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.3 C#CCOCCNCCCC=C 34a_100000700922_100000757094 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.3 C#CCOCCNCCCC=O 2230a_100000700922_200011292268 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.3 C#CCOCCOCCCC=C 34a_100000054580_100000757094 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.3 C#CCOCCOCCCC=C 34a_100000758997_100010402529 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.3 C#CCOCCOCCCC=C 7a_100000054580_100000757094 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.3 C#CCOCCOCCCC=C 7a_100000758997_100010402529 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.3 C#CCOCCOCCCC=O 7a_100000054580_200011292268 [0,0,0,0,0,0|2,0,2]=4 81 B11R0.3 C#CCOCCSCCCC=C 62a_100010402529_100000757094 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.3 C#CCOCCSCCCC=C 62a_100011713584_100010402529 [0,0,0,0,0,0|3,0,1]=4 83 B11R0.3 C#CCOCCSCCCC=O 62a_100010402529_200011292268 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.3 C#CCOCCSCCCC=O 62a_200011292268_100010402529 [0,0,0,0,0,0|2,0,2]=4 85 B11R0.3 C#CCSCCCCCCC=C 62a_100000038162_100011215473 [0,0,0,0,0,0|2,0,1]=3 86 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [0,0,0,0,0,0|1,0,2]=3 87 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [0,0,0,0,0,0|1,0,2]=3 88 B11R0.3 C=CCCC/C=C/COCC=C 34a_200016268473_100015514636 [0,0,0,0,0,0|2,0,2]=4 89 B11R0.3 C=CCCC/C=C/COCC=C 7a_200016268473_100015514636 [0,0,0,0,0,0|2,0,2]=4 90 B11R0.3 C=CCCC/C=C/COCC=O 34a_200016268473_200009817547 [0,0,0,0,0,0|1,0,2]=3 91 B11R0.3 C=CCCC/C=C/COCC=O 7a_200016268473_200015260668 [0,0,0,0,0,0|1,0,2]=3 92 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,0,0,0,0,0|2,0,0]=2 93 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,0,0,0,0,0|2,0,0]=2 94 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,0,0,0,0,0|2,0,0]=2 95 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,0,0,0,0,0|2,0,0]=2 96 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,0,0,0,0,0|2,0,0]=2 97 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,0,0,0,0,0|2,0,0]=2 98 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,0,0,0,0,0|2,0,0]=2 99 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,0,0,0,0,0|2,0,0]=2 100 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,0,0,0,0,0|2,0,0]=2 101 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,0,0,0,0,0|2,0,0]=2 102 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,0,0,0,0,0|2,0,0]=2 103 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,0,0,0,0,0|2,0,0]=2 104 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,0,0,0,0,0|2,0,1]=3 105 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,0,0,0,0,0|2,0,1]=3 106 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,0,0,0,0,0|2,0,1]=3 107 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,0,0,0,0,0|2,0,1]=3 108 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,0,0,0,0,0|2,0,1]=3 109 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,0,0,0,0,0|2,0,1]=3 110 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,0,0,0,0,0|2,0,1]=3 111 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,0,0,0,0,0|2,0,1]=3 112 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,0,0,0,0,0|2,0,1]=3 113 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,0,0,0,0,0|2,0,1]=3 114 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [0,0,0,0,0,0|2,0,0]=2 115 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,0,0,0,0,0|2,0,1]=3 116 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,0,0,0,0,0|1,0,2]=3 117 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,0,0,0,0,0|1,0,2]=3 118 B11R0.3 C=CCCCCCCOCC#N 7a_200011216477_100011215382 [0,0,0,0,0,0|2,0,1]=3 119 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [0,0,0,0,0,0|2,0,0]=2 120 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [0,0,0,0,0,0|2,0,0]=2 121 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [0,0,0,0,0,0|2,0,0]=2 122 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [0,0,0,0,0,0|1,0,0]=1 123 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [0,0,0,0,0,0|1,0,0]=1 124 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,0,0,0,0,0|2,0,1]=3 125 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,0,0,0,0,0|2,0,1]=3 126 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,0,0,0,0,0|2,0,1]=3 127 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,0,0,0,0,0|2,0,1]=3 128 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,0,0,0,0,0|2,0,1]=3 129 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,0,0,0,0,0|2,0,1]=3 130 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,0,0,0,0,0|2,0,1]=3 131 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,0,0,0,0,0|1,0,2]=3 132 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,0,0,0,0,0|1,0,2]=3 133 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,0,0,0,0,0|3,0,0]=3 134 B11R0.3 C=CCCCCCCSCC#N 62a_100011215382_100011215473 [0,0,0,0,0,0|2,0,1]=3 135 B11R0.3 C=CCCCCCCSCC#N 62a_100011215473_100011215382 [0,0,0,0,0,0|2,0,1]=3 136 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [0,0,0,0,0,0|2,0,0]=2 137 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [0,0,0,0,0,0|2,0,0]=2 138 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [0,0,0,0,0,0|1,0,0]=1 139 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [0,0,0,0,0,0|1,0,0]=1 140 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,0,0,0,0,0|2,0,1]=3 141 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,0,0,0,0,0|2,0,1]=3 142 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,0,0,0,0,0|2,0,1]=3 143 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,0,0,0,0,0|2,0,1]=3 144 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,0,0,0,0,0|1,0,2]=3 145 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,0,0,0,0,0|1,0,2]=3 146 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,0,0,0,0,0|3,0,0]=3 147 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,0,0,0,0,0|3,0,0]=3 148 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,0,0,0,0,0|3,0,0]=3 149 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,0,0,0,0,0|3,0,0]=3 150 B11R0.3 C=CCCCCCNCC#CC 2230a_100000685387_100000700193 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.3 C=CCCCCCNCC#CC 34a_100000685387_100000700193 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [0,0,0,0,0,0|2,0,0]=2 153 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,0,0,0,0,0|2,0,1]=3 154 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,0,0,0,0,0|2,0,1]=3 155 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,0,0,0,0,0|2,0,1]=3 156 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,0,0,0,0,0|2,0,1]=3 157 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,0,0,0,0,0|3,0,0]=3 158 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,0,0,0,0,0|3,0,0]=3 159 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [0,0,0,0,0,0|2,0,1]=3 160 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [0,0,0,0,0,0|2,0,1]=3 161 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [0,0,0,0,0,0|2,0,1]=3 162 B11R0.3 C=CCCCCCOCC#CC 34a_100000761923_100000700193 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.3 C=CCCCCCOCC#CC 34a_100011216702_100000748600 [0,0,0,0,0,0|2,0,2]=4 164 B11R0.3 C=CCCCCCOCC#CC 7a_100011216702_100000748600 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [0,0,0,0,0,0|2,0,1]=3 166 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [0,0,0,0,0,0|2,0,1]=3 167 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [0,0,0,0,0,0|2,0,1]=3 168 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [0,0,0,0,0,0|2,0,0]=2 169 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [0,0,0,0,0,0|2,0,0]=2 170 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [0,0,0,0,0,0|2,0,0]=2 171 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,0,0,0,0,0|2,0,1]=3 172 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,0,0,0,0,0|2,0,1]=3 173 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,0,0,0,0,0|2,0,1]=3 174 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,0,0,0,0,0|2,0,1]=3 175 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,0,0,0,0,0|2,0,1]=3 176 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,0,0,0,0,0|2,0,1]=3 177 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,0,0,0,0,0|2,0,1]=3 178 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,0,0,0,0,0|2,0,1]=3 179 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,0,0,0,0,0|2,0,1]=3 180 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,0,0,0,0,0|2,0,1]=3 181 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,0,0,0,0,0|1,0,2]=3 182 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,0,0,0,0,0|1,0,2]=3 183 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,0,0,0,0,0|3,0,0]=3 184 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,0,0,0,0,0|3,0,0]=3 185 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,0,0,0,0,0|3,0,0]=3 186 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,0,0,0,0,0|3,0,0]=3 187 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,0,0,0,0,0|3,0,0]=3 188 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,0,0,0,0,0|3,0,0]=3 189 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,0,0,0,0,0|3,0,0]=3 190 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,0,0,0,0,0|3,0,0]=3 191 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [0,0,0,0,0,0|2,0,1]=3 192 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [0,0,0,0,0,0|2,0,1]=3 193 B11R0.3 C=CCCCCCSCC#CC 62a_100000700193_100000748600 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.3 C=CCCCCCSCC#CC 62a_100000748600_100000700193 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [0,0,0,0,0,0|2,0,1]=3 196 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [0,0,0,0,0,0|2,0,1]=3 197 B11R0.3 C=CCCCCCSCCC#N 62a_100000700193_100011215226 [0,0,0,0,0,0|2,0,1]=3 198 B11R0.3 C=CCCCCCSCCC#N 62a_100011215226_100000700193 [0,0,0,0,0,0|2,0,1]=3 199 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [0,0,0,0,0,0|2,0,0]=2 200 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [0,0,0,0,0,0|2,0,0]=2 201 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,0,0,0,0,0|2,0,1]=3 202 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,0,0,0,0,0|2,0,1]=3 203 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,0,0,0,0,0|2,0,1]=3 204 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,0,0,0,0,0|2,0,1]=3 205 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,0,0,0,0,0|1,0,2]=3 206 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,0,0,0,0,0|1,0,2]=3 207 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,0,0,0,0,0|3,0,0]=3 208 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,0,0,0,0,0|3,0,0]=3 209 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,0,0,0,0,0|3,0,0]=3 210 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,0,0,0,0,0|3,0,0]=3 211 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.3 C=CCCCCCSCSC#N 62a_100000211825_100000700193 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.3 C=CCCCCCSCSC#N 62a_100000700193_100000211825 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.3 C=CCCCCNCCCC#N 2230a_100000703577_100000687738 [0,0,0,0,0,0|2,0,1]=3 216 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [0,0,0,0,0,0|2,0,0]=2 217 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [0,0,0,0,0,0|2,0,0]=2 218 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [0,0,0,0,0,0|2,0,0]=2 219 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [0,0,0,0,0,0|2,0,0]=2 220 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [0,0,0,0,0,0|1,0,0]=1 221 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,0,0,0,0,0|2,0,1]=3 222 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,0,0,0,0,0|2,0,1]=3 223 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,0,0,0,0,0|2,0,1]=3 224 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,0,0,0,0,0|2,0,1]=3 225 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,0,0,0,0,0|2,0,1]=3 226 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,0,0,0,0,0|1,0,2]=3 227 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,0,0,0,0,0|1,0,2]=3 228 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,0,0,0,0,0|1,0,2]=3 229 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,0,0,0,0,0|1,0,2]=3 230 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,0,0,0,0,0|3,0,0]=3 231 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,0,0,0,0,0|3,0,0]=3 232 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,0,0,0,0,0|3,0,0]=3 233 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,0,0,0,0,0|3,0,0]=3 234 B11R0.3 C=CCCCCNCCOC=C 2230a_100000703577_100000039644 [0,0,0,0,0,0|3,0,0]=3 235 B11R0.3 C=CCCCCNCCOC=C 34a_100000703577_100000039644 [0,0,0,0,0,0|3,0,0]=3 236 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,0,0,0,0,0|3,0,1]=4 237 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,0,0,0,0,0|3,0,1]=4 238 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,0,0,0,0,0|3,0,1]=4 241 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,0,0,0,0,0|3,0,1]=4 242 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,0,0,0,0,0|3,0,1]=4 243 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [0,0,0,0,0,0|2,0,1]=3 244 B11R0.3 C=CCCCCOCCC#CC 34a_100000750427_100011215482 [0,0,0,0,0,0|2,0,2]=4 245 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [0,0,0,0,0,0|2,0,1]=3 246 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [0,0,0,0,0,0|2,0,0]=2 247 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [0,0,0,0,0,0|2,0,0]=2 248 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [0,0,0,0,0,0|2,0,0]=2 249 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [0,0,0,0,0,0|2,0,0]=2 250 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [0,0,0,0,0,0|1,0,0]=1 251 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,0,0,0,0,0|2,0,1]=3 252 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,0,0,0,0,0|2,0,1]=3 253 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,0,0,0,0,0|2,0,1]=3 254 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,0,0,0,0,0|2,0,1]=3 255 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,0,0,0,0,0|2,0,1]=3 256 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,0,0,0,0,0|2,0,1]=3 257 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,0,0,0,0,0|2,0,1]=3 258 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,0,0,0,0,0|2,0,1]=3 259 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,0,0,0,0,0|2,0,1]=3 260 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,0,0,0,0,0|2,0,1]=3 261 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,0,0,0,0,0|2,0,1]=3 262 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,0,0,0,0,0|2,0,1]=3 263 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,0,0,0,0,0|2,0,1]=3 264 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,0,0,0,0,0|1,0,2]=3 265 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,0,0,0,0,0|1,0,2]=3 266 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,0,0,0,0,0|3,0,0]=3 267 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,0,0,0,0,0|3,0,0]=3 268 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,0,0,0,0,0|3,0,0]=3 269 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,0,0,0,0,0|3,0,0]=3 270 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,0,0,0,0,0|3,0,0]=3 271 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,0,0,0,0,0|3,0,0]=3 272 B11R0.3 C=CCCCCOCCOC=C 34a_100000033082_100011215482 [0,0,0,0,0,0|3,0,0]=3 273 B11R0.3 C=CCCCCOCCOC=C 34a_100000766645_100000039644 [0,0,0,0,0,0|3,0,0]=3 274 B11R0.3 C=CCCCCOCCOC=C 7a_100000766645_100000039644 [0,0,0,0,0,0|3,0,0]=3 275 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,0,0,0,0,0|3,0,1]=4 276 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,0,0,0,0,0|3,0,1]=4 277 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,0,0,0,0,0|3,0,1]=4 278 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,0,0,0,0,0|3,0,1]=4 279 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,0,0,0,0,0|3,0,1]=4 280 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,0,0,0,0,0|3,0,1]=4 282 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,0,0,0,0,0|3,0,1]=4 283 B11R0.3 C=CCCCCSCCCC#N 62a_100000687738_100011215482 [0,0,0,0,0,0|2,0,1]=3 284 B11R0.3 C=CCCCCSCCCC#N 62a_100011215482_100000687738 [0,0,0,0,0,0|2,0,1]=3 285 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [0,0,0,0,0,0|2,0,0]=2 286 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [0,0,0,0,0,0|2,0,0]=2 287 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [0,0,0,0,0,0|1,0,0]=1 288 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [0,0,0,0,0,0|1,0,0]=1 289 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,0,0,0,0,0|2,0,1]=3 290 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,0,0,0,0,0|2,0,1]=3 291 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,0,0,0,0,0|2,0,1]=3 292 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,0,0,0,0,0|2,0,1]=3 293 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,0,0,0,0,0|1,0,2]=3 294 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,0,0,0,0,0|1,0,2]=3 295 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,0,0,0,0,0|3,0,0]=3 296 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,0,0,0,0,0|3,0,0]=3 297 B11R0.3 C=CCCCCSCCOC=C 62a_100000039644_100011215482 [0,0,0,0,0,0|3,0,0]=3 298 B11R0.3 C=CCCCCSCCOC=C 62a_100011215482_100000039644 [0,0,0,0,0,0|3,0,0]=3 299 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,0,0,0,0,0|3,0,1]=4 300 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,0,0,0,0,0|3,0,1]=4 301 B11R0.3 C=CCCCCSCCSC#N 62a_100000034367_100011215482 [0,0,0,0,0,0|3,0,1]=4 302 B11R0.3 C=CCCCCSCCSC#N 62a_100011215482_100000034367 [0,0,0,0,0,0|3,0,1]=4 303 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,0,0,0,0,0|3,0,1]=4 304 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,0,0,0,0,0|3,0,1]=4 305 B11R0.3 C=CCCCNCCCCC#N 2230a_100000700776_100000211819 [0,0,0,0,0,0|2,0,1]=3 306 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [0,0,0,0,0,0|1,0,0]=1 307 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,0,0,0,0,0|2,0,1]=3 308 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,0,0,0,0,0|2,0,1]=3 309 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,0,0,0,0,0|2,0,1]=3 310 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,0,0,0,0,0|2,0,1]=3 311 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,0,0,0,0,0|2,0,1]=3 312 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,0,0,0,0,0|1,0,2]=3 313 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,0,0,0,0,0|1,0,2]=3 314 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,0,0,0,0,0|1,0,2]=3 315 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,0,0,0,0,0|1,0,2]=3 316 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,0,0,0,0,0|3,0,0]=3 317 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,0,0,0,0,0|3,0,0]=3 318 B11R0.3 C=CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100011713584 [0,0,0,0,0,0|4,0,0]=4 319 B11R0.3 C=CCCCNCCCOC=C 2230a_100000210767_100011713584 [0,0,0,0,0,0|3,0,0]=3 320 B11R0.3 C=CCCCNCCCOC=C 34a_100000210767_100000757094 [0,0,0,0,0,0|3,0,0]=3 321 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,0,0,0,0,0|3,0,1]=4 322 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,0,0,0,0,0|3,0,1]=4 323 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,0,0,0,0,0|3,0,1]=4 324 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,0,0,0,0,0|3,0,1]=4 325 B11R0.3 C=CCCCNCCOCC#N 2230a_100000700776_200000047693 [0,0,0,0,0,0|3,0,1]=4 326 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,0,0,0,0,0|3,0,1]=4 327 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,0,0,0,0,0|3,0,1]=4 328 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,0,0,0,0,0|3,0,1]=4 330 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,0,0,0,0,0|2,0,2]=4 331 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,0,0,0,0,0|2,0,2]=4 332 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,0,0,0,0,0|2,0,2]=4 333 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,0,0,0,0,0|2,0,2]=4 334 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,0,0,0,0,0|3,0,1]=4 335 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,0,0,0,0,0|2,0,2]=4 336 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,0,0,0,0,0|3,0,1]=4 337 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,0,0,0,0,0|3,0,1]=4 338 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [0,0,0,0,0,0|4,0,0]=4 339 B11R0.3 C=CCCCOCCC=C=CC 34a_100011020354_100000757094 [0,0,0,0,0,0|2,0,2]=4 340 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [0,0,0,0,0,0|2,0,1]=3 341 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [0,0,0,0,0,0|2,0,1]=3 342 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,0,0,0,0,0|1,0,0]=1 343 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,0,0,0,0,0|2,0,1]=3 344 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,0,0,0,0,0|2,0,1]=3 345 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,0,0,0,0,0|2,0,1]=3 346 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,0,0,0,0,0|2,0,1]=3 347 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,0,0,0,0,0|2,0,1]=3 348 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,0,0,0,0,0|2,0,1]=3 349 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,0,0,0,0,0|2,0,1]=3 350 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,0,0,0,0,0|2,0,1]=3 351 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,0,0,0,0,0|2,0,1]=3 352 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,0,0,0,0,0|2,0,1]=3 353 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,0,0,0,0,0|2,0,1]=3 354 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,0,0,0,0,0|2,0,1]=3 355 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,0,0,0,0,0|2,0,1]=3 356 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,0,0,0,0,0|1,0,2]=3 357 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,0,0,0,0,0|1,0,2]=3 358 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,0,0,0,0,0|3,0,0]=3 359 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,0,0,0,0,0|3,0,0]=3 360 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,0,0,0,0,0|3,0,0]=3 361 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,0,0,0,0,0|3,0,0]=3 362 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,0,0,0,0,0|3,0,0]=3 363 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,0,0,0,0,0|3,0,1]=4 364 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,0,0,0,0,0|3,0,1]=4 365 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,0,0,0,0,0|3,0,1]=4 366 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,0,0,0,0,0|3,0,1]=4 367 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,0,0,0,0,0|3,0,1]=4 368 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,0,0,0,0,0|3,0,1]=4 369 B11R0.3 C=CCCCOCCOCC#N 7a_100000758997_200000047693 [0,0,0,0,0,0|3,0,1]=4 370 B11R0.3 C=CCCCOCCOCC=C 34a_100000037705_100000757094 [0,0,0,0,0,0|3,0,0]=3 371 B11R0.3 C=CCCCOCCOCC=C 7a_100000037705_100000757094 [0,0,0,0,0,0|3,0,0]=3 372 B11R0.3 C=CCCCOCCOCCBr 34a_100000692535_100000757094 [0,0,0,0,0,0|3,0,1]=4 373 B11R0.3 C=CCCCOCCOCCBr 7a_100000692535_100000757094 [0,0,0,0,0,0|3,0,1]=4 374 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,0,0,0,0,0|3,0,1]=4 375 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,0,0,0,0,0|3,0,1]=4 376 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,0,0,0,0,0|3,0,1]=4 377 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,0,0,0,0,0|3,0,1]=4 378 B11R0.3 C=CCCCOCCOCCCl 34a_100011215305_100000757094 [0,0,0,0,0,0|3,0,1]=4 379 B11R0.3 C=CCCCOCCOCCCl 7a_100011215305_100000757094 [0,0,0,0,0,0|3,0,1]=4 380 B11R0.3 C=CCCCOCCOCCF 34a_200015357709_100000757094 [0,0,0,0,0,0|3,0,1]=4 381 B11R0.3 C=CCCCOCCOCCF 7a_200015357709_100000757094 [0,0,0,0,0,0|3,0,1]=4 382 B11R0.3 C=CCCCOCCOCCI 34a_100012149058_100000757094 [0,0,0,0,0,0|3,0,1]=4 383 B11R0.3 C=CCCCOCCOCCI 7a_100012149058_100000757094 [0,0,0,0,0,0|3,0,1]=4 384 B11R0.3 C=CCCCOCCOCCN 34a_100000211614_100000757094 [0,0,0,0,0,0|3,0,1]=4 385 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,0,0,0,0,0|2,0,2]=4 386 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,0,0,0,0,0|2,0,2]=4 387 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,0,0,0,0,0|3,0,1]=4 388 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,0,0,0,0,0|3,0,1]=4 389 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,0,0,0,0,0|3,0,1]=4 390 B11R0.3 C=CCCCSCCCCC#N 62a_100011219923_100000757094 [0,0,0,0,0,0|2,0,1]=3 391 B11R0.3 C=CCCCSCCCCC#N 62a_100011713584_100000211819 [0,0,0,0,0,0|2,0,1]=3 392 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [0,0,0,0,0,0|1,0,0]=1 393 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [0,0,0,0,0,0|1,0,0]=1 394 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,0,0,0,0,0|2,0,1]=3 395 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,0,0,0,0,0|2,0,1]=3 396 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,0,0,0,0,0|2,0,1]=3 397 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,0,0,0,0,0|2,0,1]=3 398 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,0,0,0,0,0|1,0,2]=3 399 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,0,0,0,0,0|1,0,2]=3 400 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,0,0,0,0,0|3,0,0]=3 401 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,0,0,0,0,0|3,0,0]=3 402 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,0,0,0,0,0|3,0,1]=4 404 B11R0.3 C=CCCCSCCOCC#N 62a_100011713584_200000047693 [0,0,0,0,0,0|3,0,1]=4 405 B11R0.3 C=CCCCSCCOCC#N 62a_200000047693_100000757094 [0,0,0,0,0,0|3,0,1]=4 406 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,0,0,0,0,0|3,0,1]=4 407 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,0,0,0,0,0|3,0,1]=4 408 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,0,0,0,0,0|2,0,2]=4 409 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,0,0,0,0,0|2,0,2]=4 410 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,0,0,0,0,0|3,0,1]=4 411 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,0,0,0,0,0|3,0,1]=4 412 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [0,0,0,0,0,0|4,0,0]=4 413 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [0,0,0,0,0,0|4,0,0]=4 414 B11R0.3 C=CCCNCCCCCC#N 2230a_100015191253_100009813376 [0,0,0,0,0,0|2,0,1]=3 415 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [0,0,0,0,0,0|1,0,0]=1 416 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,0,0,0,0,0|2,0,1]=3 417 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,0,0,0,0,0|2,0,1]=3 418 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,0,0,0,0,0|2,0,1]=3 419 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,0,0,0,0,0|1,0,2]=3 420 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,0,0,0,0,0|1,0,2]=3 421 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,0,0,0,0,0|1,0,2]=3 422 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,0,0,0,0,0|3,0,0]=3 423 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,0,0,0,0,0|3,0,0]=3 424 B11R0.3 C=CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000754431 [0,0,0,0,0,0|4,0,0]=4 425 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,0,0,0,0,0|3,0,1]=4 426 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,0,0,0,0,0|3,0,1]=4 427 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,0,0,0,0,0|3,0,1]=4 428 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,0,0,0,0,0|4,0,0]=4 429 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,0,0,0,0,0|4,0,0]=4 430 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,0,0,0,0,0|4,0,0]=4 431 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,0,0,0,0,0|3,0,1]=4 432 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,0,0,0,0,0|2,0,1]=3 433 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,0,0,0,0,0|2,0,1]=3 434 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,0,0,0,0,0|2,0,1]=3 435 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,0,0,0,0,0|2,0,1]=3 436 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,0,0,0,0,0|2,0,1]=3 437 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,0,0,0,0,0|2,0,1]=3 438 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,0,0,0,0,0|2,0,1]=3 439 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,0,0,0,0,0|2,0,1]=3 440 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,0,0,0,0,0|2,0,1]=3 441 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,0,0,0,0,0|2,0,1]=3 442 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,0,0,0,0,0|2,0,1]=3 443 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,0,0,0,0,0|1,0,2]=3 444 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,0,0,0,0,0|3,0,0]=3 445 B11R0.3 C=CCCOCCCCOC=C 34a_100000031558_100000754431 [0,0,0,0,0,0|3,0,0]=3 446 B11R0.3 C=CCCOCCCCOC=C 7a_100000031558_100000754431 [0,0,0,0,0,0|3,0,0]=3 447 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,0,0,0,0,0|3,0,1]=4 448 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,0,0,0,0,0|3,0,1]=4 449 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,0,0,0,0,0|4,0,0]=4 451 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,0,0,0,0,0|4,0,0]=4 452 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,0,0,0,0,0|4,0,0]=4 453 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,0,0,0,0,0|4,0,0]=4 454 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,0,0,0,0,0|3,0,1]=4 455 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,0,0,0,0,0|3,0,1]=4 456 B11R0.3 C=CCCSCCCCCC#N 62a_100000754431_100009813376 [0,0,0,0,0,0|2,0,1]=3 457 B11R0.3 C=CCCSCCCCCC#N 62a_100009813376_100000754431 [0,0,0,0,0,0|2,0,1]=3 458 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [0,0,0,0,0,0|1,0,0]=1 459 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [0,0,0,0,0,0|1,0,0]=1 460 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,0,0,0,0,0|2,0,1]=3 461 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,0,0,0,0,0|2,0,1]=3 462 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,0,0,0,0,0|2,0,1]=3 463 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,0,0,0,0,0|2,0,1]=3 464 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,0,0,0,0,0|1,0,2]=3 465 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,0,0,0,0,0|1,0,2]=3 466 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,0,0,0,0,0|3,0,1]=4 467 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,0,0,0,0,0|3,0,1]=4 468 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,0,0,0,0,0|4,0,0]=4 469 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,0,0,0,0,0|4,0,0]=4 470 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [0,0,0,0,0,0|2,0,1]=3 471 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,0,0,0,0,0|2,0,1]=3 472 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,0,0,0,0,0|2,0,1]=3 473 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,0,0,0,0,0|2,0,1]=3 474 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,0,0,0,0,0|1,0,2]=3 475 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,0,0,0,0,0|1,0,2]=3 476 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,0,0,0,0,0|1,0,2]=3 477 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,0,0,0,0,0|3,0,0]=3 478 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,0,0,0,0,0|3,0,1]=4 479 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,0,0,0,0,0|3,0,1]=4 480 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,0,0,0,0,0|2,0,2]=4 481 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,0,0,0,0,0|2,0,2]=4 482 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,0,0,0,0,0|4,0,0]=4 483 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,0,0,0,0,0|4,0,0]=4 484 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,0,0,0,0,0|4,0,0]=4 485 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,0,0,0,0,0|2,0,1]=3 486 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,0,0,0,0,0|2,0,1]=3 487 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,0,0,0,0,0|2,0,1]=3 488 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,0,0,0,0,0|2,0,1]=3 489 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,0,0,0,0,0|2,0,1]=3 490 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,0,0,0,0,0|2,0,1]=3 491 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,0,0,0,0,0|1,0,2]=3 492 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,0,0,0,0,0|3,0,0]=3 493 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,0,0,0,0,0|3,0,0]=3 494 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,0,0,0,0,0|3,0,0]=3 495 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,0,0,0,0,0|3,0,1]=4 496 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,0,0,0,0,0|3,0,1]=4 497 B11R0.3 C=CCOCCCOCCCN 34a_100011310245_100015514636 [0,0,0,0,0,0|3,0,1]=4 498 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,0,0,0,0,0|4,0,0]=4 499 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,0,0,0,0,0|3,0,1]=4 500 B11R0.3 C=CCOCCOCCCC#N 7a_100000037705_100000687738 [0,0,0,0,0,0|3,0,1]=4 501 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [0,0,0,0,0,0|2,0,0]=2 502 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,0,0,0,0,0|3,0,1]=4 503 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,0,0,0,0,0|3,0,1]=4 504 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,0,0,0,0,0|3,0,1]=4 505 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,0,0,0,0,0|3,0,1]=4 506 B11R0.3 C=CCOCCOCCCCF 34a_100000037705_100000729493 [0,0,0,0,0,0|3,0,1]=4 507 B11R0.3 C=CCOCCOCCCCF 7a_100000037705_100000729493 [0,0,0,0,0,0|3,0,1]=4 508 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,0,0,0,0,0|2,0,2]=4 509 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,0,0,0,0,0|2,0,2]=4 510 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [0,0,0,0,0,0|4,0,0]=4 511 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [0,0,0,0,0,0|4,0,0]=4 512 B11R0.3 C=CCOCCOCCOC=C 34a_100000037705_100000039644 [0,0,0,0,0,0|4,0,0]=4 513 B11R0.3 C=CCOCCOCCOC=C 34a_100000039918_100015514636 [0,0,0,0,0,0|4,0,0]=4 514 B11R0.3 C=CCOCCOCCOC=C 7a_100000037705_100000039644 [0,0,0,0,0,0|4,0,0]=4 515 B11R0.3 C=CCOCCOCCOC=C 7a_100000039918_100015514636 [0,0,0,0,0,0|4,0,0]=4 516 B11R0.3 C=CCSCCCCCCC#N 62a_100000210623_100009813337 [0,0,0,0,0,0|2,0,1]=3 517 B11R0.3 C=CCSCCCCCCC#N 62a_100009813337_100000210623 [0,0,0,0,0,0|2,0,1]=3 518 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,0,0,0,0,0|2,0,1]=3 519 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,0,0,0,0,0|2,0,1]=3 520 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,0,0,0,0,0|1,0,2]=3 521 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,0,0,0,0,0|1,0,2]=3 522 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,0,0,0,0,0|3,0,0]=3 523 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,0,0,0,0,0|3,0,0]=3 524 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [0,0,0,0,0,0|4,0,0]=4 525 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [0,0,0,0,0,0|4,0,0]=4 526 B11R0.3 C=COCCCCOC/C=C/C 34a_100000031558_100102629194 [0,0,0,0,0,0|3,0,1]=4 527 B11R0.3 C=COCCCCOC/C=C/C 7a_100000031558_100102629194 [0,0,0,0,0,0|3,0,1]=4 528 B11R0.3 C=COCCCCOCC=CC 34a_100000031558_100000070051 [0,0,0,0,0,0|3,0,1]=4 529 B11R0.3 C=COCCCCOCC=CC 7a_100000031558_100000070051 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.3 C=COCCCCOCCC#N 7a_100000031558_100000184422 [0,0,0,0,0,0|3,0,1]=4 531 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,0,0,0,0,0|3,0,1]=4 534 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,0,0,0,0,0|3,0,1]=4 535 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,0,0,0,0,0|2,0,2]=4 536 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,0,0,0,0,0|2,0,2]=4 537 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,0,0,0,0,0|4,0,0]=4 538 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,0,0,0,0,0|4,0,0]=4 539 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,0,0,0,0,0|4,0,0]=4 540 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,0,0,0,0,0|4,0,0]=4 541 B11R0.3 C=COCCCNCCCC#N 2230a_100000210767_100000687738 [0,0,0,0,0,0|3,0,1]=4 542 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [0,0,0,0,0,0|2,0,0]=2 543 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,0,0,0,0,0|3,0,1]=4 544 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,0,0,0,0,0|3,0,1]=4 545 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [0,0,0,0,0,0|3,0,1]=4 546 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [0,0,0,0,0,0|3,0,1]=4 547 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,0,0,0,0,0|2,0,2]=4 548 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,0,0,0,0,0|2,0,2]=4 549 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [0,0,0,0,0,0|4,0,0]=4 550 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [0,0,0,0,0,0|4,0,0]=4 551 B11R0.3 C=COCCCNCCOC=C 2230a_100000210767_100000039644 [0,0,0,0,0,0|4,0,0]=4 552 B11R0.3 C=COCCCNCCOC=C 34a_100000210767_100000039644 [0,0,0,0,0,0|4,0,0]=4 553 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,0,0,0,0,0|3,0,1]=4 554 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,0,0,0,0,0|2,0,2]=4 555 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,0,0,0,0,0|2,0,2]=4 556 B11R0.3 C=COCCOCCCC=CC 34a_100020645299_100000039644 [0,0,0,0,0,0|3,0,1]=4 557 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,0,0,0,0,0|3,0,1]=4 558 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,0,0,0,0,0|3,0,1]=4 559 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,0,0,0,0,0|3,0,1]=4 560 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,0,0,0,0,0|3,0,1]=4 561 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,0,0,0,0,0|3,0,1]=4 562 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,0,0,0,0,0|3,0,1]=4 563 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,0,0,0,0,0|3,0,1]=4 564 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,0,0,0,0,0|3,0,1]=4 565 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,0,0,0,0,0|3,0,1]=4 566 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,0,0,0,0,0|3,0,1]=4 567 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,0,0,0,0,0|3,0,1]=4 568 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,0,0,0,0,0|2,0,2]=4 569 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,0,0,0,0,0|4,0,0]=4 570 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,0,0,0,0,0|4,0,0]=4 571 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,0,0,0,0,0|4,0,0]=4 572 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,0,0,0,0,0|4,0,0]=4 573 B11R0.3 C=COCCOCCOCC=O 34a_100000039918_200009817547 [0,0,0,0,0,0|3,0,0]=3 574 B11R0.3 C=COCCOCCOCC=O 7a_100000039918_200015260668 [0,0,0,0,0,0|3,0,0]=3 575 B11R0.3 C=COCCSCCCCC#N 62a_100000039644_100000211819 [0,0,0,0,0,0|3,0,1]=4 576 B11R0.3 C=COCCSCCCCC#N 62a_100011219923_100000039644 [0,0,0,0,0,0|3,0,1]=4 577 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [0,0,0,0,0,0|2,0,0]=2 578 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [0,0,0,0,0,0|2,0,0]=2 579 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,0,0,0,0,0|3,0,1]=4 580 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,0,0,0,0,0|3,0,1]=4 581 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,0,0,0,0,0|2,0,2]=4 584 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,0,0,0,0,0|2,0,2]=4 585 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [0,0,0,0,0,0|4,0,0]=4 586 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [0,0,0,0,0,0|4,0,0]=4 587 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [0,0,0,0,0,0|1,0,3]=4 588 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [0,0,0,0,0,0|1,0,3]=4 589 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [0,0,0,0,0,0|1,0,3]=4 590 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [0,0,0,0,0,0|1,0,2]=3 591 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [0,0,0,0,0,0|1,0,2]=3 592 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,0,0,0,0,0|2,0,2]=4 593 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,0,0,0,0,0|2,0,2]=4 594 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,0,0,0,0,0|2,0,2]=4 595 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,0,0,0,0,0|2,0,2]=4 596 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,0,0,0,0,0|2,0,2]=4 597 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,0,0,0,0,0|2,0,2]=4 598 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,0,0,0,0,0|2,0,2]=4 599 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,0,0,0,0,0|2,0,2]=4 600 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,0,0,0,0,0|2,0,2]=4 601 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,0,0,0,0,0|2,0,2]=4 602 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,0,0,0,0,0|2,0,2]=4 603 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,0,0,0,0,0|2,0,2]=4 604 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,0,0,0,0,0|2,0,2]=4 605 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,0,0,0,0,0|2,0,2]=4 606 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,0,0,0,0,0|1,0,2]=3 607 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,0,0,0,0,0|1,0,2]=3 608 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,0,0,0,0|1,0,2]=3 609 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,0,0,0,0|1,0,2]=3 610 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,0,0,0,0,0|1,0,2]=3 611 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,0,0,0,0,0|1,0,2]=3 612 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,0,0,0,0,0|1,0,2]=3 613 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,0,0,0,0,0|1,0,2]=3 614 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,0,0,0,0,0|1,0,2]=3 615 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,0,0,0,0,0|1,0,2]=3 616 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,0,0,0,0,0|1,0,2]=3 617 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,0,0,0,0,0|2,0,2]=4 618 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,0,0,0,0,0|1,0,2]=3 619 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,0,0,0,0,0|2,0,2]=4 620 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,0,0,0,0,0|2,0,2]=4 621 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,0,0,0,0,0|1,0,2]=3 622 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,0,0,0,0,0|1,0,2]=3 623 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,0,0,0,0,0|1,0,2]=3 624 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,0,0,0,0,0|1,0,2]=3 625 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,0,0,0,0,0|1,0,2]=3 626 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,0,0,0,0,0|2,0,2]=4 627 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,0,0,0,0,0|2,0,2]=4 628 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,0,0,0,0,0|2,0,2]=4 629 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,0,0,0,0,0|2,0,2]=4 630 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,0,0,0,0,0|2,0,2]=4 631 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,0,0,0,0,0|2,0,2]=4 632 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,0,0,0,0,0|1,0,2]=3 633 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,0,0,0,0,0|1,0,2]=3 634 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,0,0,0,0,0|2,0,2]=4 635 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,0,0,0,0,0|2,0,2]=4 636 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,0,0,0,0,0|2,0,2]=4 637 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,0,0,0,0,0|2,0,2]=4 638 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,0,0,0,0,0|2,0,2]=4 639 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,0,0,0,0,0|2,0,2]=4 640 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,0,0,0,0,0|2,0,2]=4 641 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,0,0,0,0,0|2,0,2]=4 642 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,0,0,0,0,0|2,0,2]=4 643 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,0,0,0,0,0|2,0,2]=4 644 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,0,0,0,0,0|2,0,2]=4 645 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,0,0,0,0,0|2,0,2]=4 646 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,0,0,0,0,0|2,0,2]=4 647 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,0,0,0,0,0|2,0,2]=4 648 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,0,0,0,0,0|2,0,2]=4 649 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,0,0,0,0,0|2,0,2]=4 650 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,0,0,0,0,0|2,0,2]=4 651 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,0,0,0,0,0|2,0,2]=4 652 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,0,0,0,0,0|2,0,2]=4 653 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,0,0,0,0,0|2,0,2]=4 654 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,0,0,0,0,0|2,0,2]=4 655 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,0,0,0,0,0|1,0,3]=4 656 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,0,0,0,0,0|1,0,3]=4 657 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,0,0,0,0,0|1,0,3]=4 658 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,0,0,0,0,0|1,0,3]=4 659 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,0,0,0,0,0|1,0,3]=4 660 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,0,0,0,0,0|2,0,2]=4 661 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,0,0,0,0,0|2,0,2]=4 662 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,0,0,0,0,0|2,0,2]=4 663 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,0,0,0,0,0|2,0,2]=4 664 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,0,0,0,0,0|2,0,2]=4 665 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,0,0,0,0,0|1,0,3]=4 666 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,0,0,0,0,0|2,0,1]=3 667 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,0,0,0,0,0|2,0,1]=3 668 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,0,0,0,0,0|2,0,1]=3 669 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,0,0,0,0,0|2,0,1]=3 670 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,0,0,0,0,0|2,0,1]=3 671 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,0,0,0,0,0|2,0,1]=3 672 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,0,0,0,0,0|2,0,1]=3 673 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,0,0,0,0,0|2,0,1]=3 674 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,0,0,0,0,0|2,0,1]=3 675 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,0,0,0,0,0|3,0,1]=4 676 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,0,0,0,0,0|3,0,1]=4 677 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,0,0,0,0,0|3,0,1]=4 678 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,0,0,0,0,0|3,0,1]=4 679 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,0,0,0,0,0|3,0,1]=4 680 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,0,0,0,0,0|3,0,1]=4 681 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,0,0,0,0,0|2,0,1]=3 682 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,0,0,0,0,0|2,0,1]=3 683 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,0,0,0,0,0|1,0,3]=4 684 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,0,0,0,0,0|1,0,3]=4 685 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,0,0,0,0,0|2,0,1]=3 686 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,0,0,0,0,0|2,0,1]=3 687 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,0,0,0,0,0|2,0,1]=3 688 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,0,0,0,0,0|2,0,1]=3 689 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,0,0,0,0,0|2,0,1]=3 690 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,0,0,0,0,0|2,0,1]=3 691 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,0,0,0,0,0|2,0,1]=3 692 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [0,0,0,0,0,0|2,0,1]=3 693 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [0,0,0,0,0,0|2,0,1]=3 694 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [0,0,0,0,0,0|2,0,1]=3 695 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [0,0,0,0,0,0|2,0,1]=3 696 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [0,0,0,0,0,0|2,0,1]=3 697 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [0,0,0,0,0,0|2,0,1]=3 698 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [0,0,0,0,0,0|2,0,1]=3 699 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [0,0,0,0,0,0|2,0,1]=3 700 B11R0.3 N#CCOCCSCCCC=O 62a_200000047693_200011292268 [0,0,0,0,0,0|3,0,1]=4 701 B11R0.3 N#CCOCCSCCCC=O 62a_200011292268_200000047693 [0,0,0,0,0,0|3,0,1]=4 702 B11R0.3 N#CSCCSCCCCC=O 62a_100000034367_100000139335 [0,0,0,0,0,0|3,0,1]=4 703 B11R0.3 N#CSCCSCCCCC=O 62a_100000139335_100000034367 [0,0,0,0,0,0|3,0,1]=4 704 B11R0.3 N#CSCSCCCCCC=O 62a_100000139337_100000211825 [0,0,0,0,0,0|3,0,1]=4 705 B11R0.3 N#CSCSCCCCCC=O 62a_100000211825_100000139337 [0,0,0,0,0,0|3,0,1]=4 706 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,0,0,0,0,0|2,0,1]=3 707 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,0,0,0,0,0|3,0,1]=4 708 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,0,0,0,0,0|2,0,1]=3 709 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,0,0,0,0,0|2,0,1]=3 710 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,0,0,0,0,0|2,0,1]=3 711 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,0,0,0,0,0|2,0,1]=3 712 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,0,0,0,0,0|2,0,1]=3 713 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,0,0,0,0,0|2,0,1]=3 714 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,0,0,0,0,0|2,0,1]=3 715 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,0,0,0,0,0|2,0,1]=3 716 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [0,0,0,0,0,0|2,0,0]=2 717 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [0,0,0,0,0,0|2,0,0]=2 718 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,0,0,0,0,0|2,0,1]=3 719 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,0,0,0,0,0|2,0,1]=3 720 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,0,0,0,0,0|2,0,1]=3 721 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,0,0,0,0,0|2,0,1]=3 722 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,0,0,0,0,0|2,0,1]=3 723 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,0,0,0,0,0|3,0,1]=4 724 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,0,0,0,0,0|3,0,1]=4 725 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,0,0,0,0,0|2,0,1]=3 726 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,0,0,0,0,0|2,0,1]=3 727 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,0,0,0,0,0|2,0,1]=3 728 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,0,0,0,0,0|3,0,1]=4 729 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,0,0,0,0,0|3,0,1]=4 730 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,0,0,0,0,0|3,0,1]=4 731 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,0,0,0,0,0|3,0,1]=4 732 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,0,0,0,0,0|2,0,1]=3 733 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,0,0,0,0,0|2,0,1]=3 734 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,0,0,0,0,0|2,0,1]=3 735 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,0,0,0,0,0|2,0,1]=3 736 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,0,0,0,0,0|3,0,1]=4 737 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,0,0,0,0,0|3,0,1]=4 738 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,0,0,0,0,0|2,0,1]=3 739 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,0,0,0,0,0|2,0,1]=3 740 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,0,0,0,0,0|3,0,1]=4 741 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,0,0,0,0,0|3,0,1]=4 742 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,0,0,0,0,0|2,0,1]=3 743 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,0,0,0,0,0|2,0,1]=3 744 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,0,0,0,0,0|2,0,1]=3 745 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,0,0,0,0,0|2,0,1]=3 746 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,0,0,0,0,0|1,0,3]=4 747 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,0,0,0,0,0|1,0,3]=4 748 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,0,0,0,0,0|2,0,2]=4 749 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,0,0,0,0,0|2,0,2]=4 750 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,0,0,0,0,0|2,0,2]=4 751 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,0,0,0,0,0|2,0,2]=4 752 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,0,0,0,0,0|2,0,2]=4 753 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,0,0,0,0,0|1,0,3]=4 754 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,0,0,0,0,0|1,0,3]=4 755 B11R0.3 [N-]=[N+]=NCCCNCCCC=O 2230a_100000744732_200011292268 [0,0,0,0,0,0|4,0,0]=4 756 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [1,0,0,0,0,0|1,0,2]=4 757 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [1,0,0,0,0,0|1,0,2]=4 758 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [1,0,0,0,0,0|1,0,2]=4 759 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [1,0,0,0,0,0|1,0,2]=4 760 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [1,0,0,0,0,0|1,0,2]=4 761 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [1,0,0,0,0,0|1,0,2]=4 762 B10R0.71 C#CCCCCCSCC=C 62a_100000210623_100012094781 [1,0,0,0,0,0|1,0,2]=4 763 B10R0.71 C#CCCCCCSCC=C 62a_100012094781_100000210623 [1,0,0,0,0,0|1,0,2]=4 764 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [1,0,0,0,0,0|1,0,2]=4 765 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [1,0,0,0,0,0|1,0,2]=4 766 B10R0.71 C#CCCCCNCCC=C 2230a_100000706060_100000754431 [1,0,0,0,0,0|1,0,2]=4 767 B10R0.71 C#CCCCCNCCC=C 2230a_100015191253_100010269958 [1,0,0,0,0,0|1,0,2]=4 768 B10R0.71 C#CCCCCNCCC=C 34a_100000706060_100000754431 [1,0,0,0,0,0|1,0,2]=4 769 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [1,0,0,0,0,0|1,0,2]=4 770 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [1,0,0,0,0,0|1,0,2]=4 771 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [1,0,0,0,0,0|1,0,2]=4 772 B10R0.71 C#CCCCCSCCC=C 62a_100000754431_100010269958 [1,0,0,0,0,0|1,0,2]=4 773 B10R0.71 C#CCCCCSCCC=C 62a_100010269958_100000754431 [1,0,0,0,0,0|1,0,2]=4 774 B10R0.71 C#CCCCNCCCC=C 2230a_100000700776_100000731252 [1,0,0,0,0,0|1,0,2]=4 775 B10R0.71 C#CCCCNCCCC=C 34a_100000700776_100000695029 [1,0,0,0,0,0|1,0,2]=4 776 B10R0.71 C#CCCCNCCCC=C 34a_100000718082_100000757094 [1,0,0,0,0,0|1,0,2]=4 777 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [1,0,0,0,0,0|1,0,2]=4 778 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [1,0,0,0,0,0|1,0,2]=4 779 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [1,0,0,0,0,0|1,0,2]=4 780 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [1,0,0,0,0,0|1,0,2]=4 781 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [1,0,0,0,0,0|1,0,2]=4 782 B10R0.71 C#CCCCSCCCC=C 62a_100011215417_100000757094 [1,0,0,0,0,0|1,0,2]=4 783 B10R0.71 C#CCCCSCCCC=C 62a_100011713584_100011215417 [1,0,0,0,0,0|1,0,2]=4 784 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [1,0,0,0,0,0|1,0,2]=4 785 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [1,0,0,0,0,0|1,0,2]=4 786 B10R0.71 C#CCCNCCCCC=C 2230a_100000703577_100000688953 [1,0,0,0,0,0|1,0,2]=4 787 B10R0.71 C#CCCNCCCCC=C 34a_100000703577_100000688953 [1,0,0,0,0,0|1,0,2]=4 788 B10R0.71 C#CCCNCCCCC=C 34a_100000755551_100011215482 [1,0,0,0,0,0|1,0,2]=4 789 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [1,0,0,0,0,0|1,0,2]=4 790 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [1,0,0,0,0,0|1,0,2]=4 791 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [1,0,0,0,0,0|1,0,2]=4 792 B10R0.71 C#CCCSCCCCC=C 62a_100000688953_100011215482 [1,0,0,0,0,0|1,0,2]=4 793 B10R0.71 C#CCCSCCCCC=C 62a_100011215482_100000688953 [1,0,0,0,0,0|1,0,2]=4 794 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [1,0,0,0,0,0|1,0,2]=4 795 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [1,0,0,0,0,0|1,0,2]=4 796 B10R0.71 C#CCNCCCCCC=C 34a_100000212058_100000700193 [1,0,0,0,0,0|1,0,2]=4 797 B10R0.71 C#CCOCCCCCC=C 34a_100000210247_100000700193 [1,0,0,0,0,0|1,0,2]=4 798 B10R0.71 C#CCOCCCCCC=C 34a_100011216702_100000184674 [1,0,0,0,0,0|1,0,2]=4 799 B10R0.71 C#CCOCCCCCC=C 7a_100011216702_100000038162 [1,0,0,0,0,0|1,0,2]=4 800 B10R0.71 C#CCSCCCCCC=C 62a_100000038162_100000700193 [1,0,0,0,0,0|1,0,2]=4 801 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [1,0,0,0,0,0|1,0,2]=4 802 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,0,0,0,0,0|1,0,2]=4 803 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,0,0,0,0,0|1,0,2]=4 804 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|1,0,1]=3 805 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|1,0,1]=3 806 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|1,0,1]=3 807 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|1,0,1]=3 808 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|1,0,1]=3 809 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|1,0,1]=3 810 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|1,0,1]=3 811 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|1,0,1]=3 812 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|1,0,1]=3 813 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|1,0,1]=3 814 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|1,0,1]=3 815 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|1,0,1]=3 816 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|1,0,1]=3 817 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|1,0,1]=3 818 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|1,0,1]=3 819 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|1,0,1]=3 820 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,0,0,0,0,0|2,0,0]=3 821 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,0,0,0,0,0|2,0,0]=3 822 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|1,0,1]=3 823 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|1,0,1]=3 824 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,0,0,0,0,0|2,0,0]=3 825 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,0,0,0,0,0|2,0,0]=3 826 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [1,0,0,0,0,0|1,0,1]=3 827 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,0,0,0,0,0|2,0,0]=3 828 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,0,0,0,0,0|1,0,1]=3 829 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,0,0,0,0,0|1,0,1]=3 830 B10R0.71 C=CCCCCCOCC#N 7a_100011216702_100011215382 [1,0,0,0,0,0|2,0,1]=4 831 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [1,0,0,0,0,0|1,0,1]=3 832 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [1,0,0,0,0,0|1,0,1]=3 833 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [1,0,0,0,0,0|1,0,1]=3 834 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,0,0,0,0,0|1,0,0]=2 835 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,0,0,0,0,0|1,0,0]=2 836 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,0,0,0,0,0|2,0,0]=3 837 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|1,0,1]=3 838 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|1,0,1]=3 839 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|1,0,1]=3 840 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,0,0,0,0,0|2,0,0]=3 841 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,0,0,0,0,0|2,0,0]=3 842 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,0,0,0,0,0|2,0,0]=3 843 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|1,0,1]=3 844 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|1,0,1]=3 845 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,0,0,0,0,0|2,0,1]=4 846 B10R0.71 C=CCCCCCSCC#N 62a_100000700193_100011215382 [1,0,0,0,0,0|2,0,1]=4 847 B10R0.71 C=CCCCCCSCC#N 62a_100011215382_100000700193 [1,0,0,0,0,0|2,0,1]=4 848 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [1,0,0,0,0,0|1,0,1]=3 849 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [1,0,0,0,0,0|1,0,1]=3 850 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,0,0,0,0,0|1,0,0]=2 851 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,0,0,0,0,0|1,0,0]=2 852 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|1,0,1]=3 853 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|1,0,1]=3 854 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,0,0,0,0,0|2,0,0]=3 855 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,0,0,0,0,0|2,0,0]=3 856 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,0,0,0,0,0|1,0,1]=3 857 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,0,0,0,0,0|1,0,1]=3 858 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,0,0,0,0,0|2,0,1]=4 859 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,0,0,0,0,0|2,0,1]=4 860 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,0,0,0,0,0|2,0,1]=4 861 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,0,0,0,0,0|2,0,1]=4 862 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [1,0,0,0,0,0|2,0,1]=4 863 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [1,0,0,0,0,0|2,0,1]=4 864 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [1,0,0,0,0,0|2,0,1]=4 865 B10R0.71 C=CCCCCNCCC#N 2230a_100000703577_100011215226 [1,0,0,0,0,0|2,0,1]=4 866 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [1,0,0,0,0,0|1,0,1]=3 867 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [1,0,0,0,0,0|1,0,1]=3 868 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [1,0,0,0,0,0|1,0,1]=3 869 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|1,0,1]=3 870 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|1,0,1]=3 871 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|1,0,1]=3 872 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|1,0,1]=3 873 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,0,0,0,0,0|2,0,0]=3 874 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,0,0,0,0,0|2,0,0]=3 875 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,0,0,0,0,0|2,0,0]=3 876 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,0,0,0,0,0|2,0,0]=3 877 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,0,0,0,0,0|1,0,1]=3 878 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,0,0,0,0,0|1,0,1]=3 879 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,0,0,0,0,0|2,0,1]=4 880 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 881 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 882 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,0,0,0,0,0|2,0,1]=4 883 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,0,0,0,0,0|2,0,1]=4 884 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,0,0,0,0,0|2,0,1]=4 885 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [1,0,0,0,0,0|2,0,1]=4 886 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [1,0,0,0,0,0|2,0,1]=4 887 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [1,0,0,0,0,0|2,0,1]=4 888 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [1,0,0,0,0,0|2,0,1]=4 889 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [1,0,0,0,0,0|2,0,1]=4 890 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [1,0,0,0,0,0|2,0,1]=4 891 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [1,0,0,0,0,0|1,0,1]=3 892 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [1,0,0,0,0,0|1,0,1]=3 893 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [1,0,0,0,0,0|1,0,1]=3 894 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,0,0,0,0,0|2,0,0]=3 895 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|1,0,1]=3 896 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|1,0,1]=3 897 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|1,0,1]=3 898 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|1,0,1]=3 899 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,0,0,0,0,0|2,0,0]=3 900 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,0,0,0,0,0|2,0,0]=3 901 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,0,0,0,0,0|2,0,0]=3 902 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,0,0,0,0,0|2,0,0]=3 903 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,0,0,0,0,0|2,0,0]=3 904 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,0,0,0,0,0|1,0,1]=3 905 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,0,0,0,0,0|1,0,1]=3 906 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,0,0,0,0,0|2,0,1]=4 907 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,0,0,0,0,0|2,0,1]=4 908 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,0,0,0,0,0|2,0,1]=4 909 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [1,0,0,0,0,0|3,0,0]=4 910 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,0,0,0,0,0|2,0,1]=4 911 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,0,0,0,0,0|2,0,1]=4 912 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,0,0,0,0,0|2,0,1]=4 913 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,0,0,0,0,0|2,0,1]=4 914 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [1,0,0,0,0,0|2,0,1]=4 917 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [1,0,0,0,0,0|2,0,1]=4 918 B10R0.71 C=CCCCCSCCC#N 62a_100011215226_100011215482 [1,0,0,0,0,0|2,0,1]=4 919 B10R0.71 C=CCCCCSCCC#N 62a_100011215482_100011215226 [1,0,0,0,0,0|2,0,1]=4 920 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [1,0,0,0,0,0|1,0,1]=3 921 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [1,0,0,0,0,0|1,0,1]=3 922 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|1,0,1]=3 923 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|1,0,1]=3 924 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,0,0,0,0,0|2,0,0]=3 925 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,0,0,0,0,0|2,0,0]=3 926 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,0,0,0,0,0|1,0,1]=3 927 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,0,0,0,0,0|1,0,1]=3 928 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,0,0,0,0,0|2,0,1]=4 929 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,0,0,0,0,0|2,0,1]=4 930 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,0,0,0,0,0|2,0,1]=4 931 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [1,0,0,0,0,0|2,0,1]=4 933 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [1,0,0,0,0,0|2,0,1]=4 934 B10R0.71 C=CCCCNCCCC#N 2230a_100000700776_100000687738 [1,0,0,0,0,0|2,0,1]=4 935 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [1,0,0,0,0,0|1,0,1]=3 936 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [1,0,0,0,0,0|1,0,1]=3 937 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,0,0,0,0,0|1,0,0]=2 938 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|1,0,1]=3 939 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|1,0,1]=3 940 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|1,0,1]=3 941 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,0,0,0,0,0|2,0,0]=3 942 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,0,0,0,0,0|2,0,0]=3 943 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,0,0,0,0,0|1,0,1]=3 944 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,0,0,0,0,0|1,0,1]=3 945 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,0,0,0,0,0|1,0,1]=3 946 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,0,0,0,0,0|1,0,1]=3 947 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,0,0,0,0,0|2,0,1]=4 948 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,0,0,0,0,0|2,0,1]=4 949 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,0,0,0,0,0|2,0,1]=4 950 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,0,0,0,0,0|2,0,1]=4 951 B10R0.71 C=CCCCNCCOC=C 2230a_100000700776_100000039644 [1,0,0,0,0,0|2,0,1]=4 952 B10R0.71 C=CCCCNCCOC=C 34a_100000700776_100000039644 [1,0,0,0,0,0|2,0,1]=4 953 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [1,0,0,0,0,0|2,0,1]=4 954 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [1,0,0,0,0,0|2,0,1]=4 955 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [1,0,0,0,0,0|2,0,1]=4 956 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [1,0,0,0,0,0|2,0,1]=4 957 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [1,0,0,0,0,0|2,0,1]=4 958 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [1,0,0,0,0,0|2,0,1]=4 959 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [1,0,0,0,0,0|2,0,1]=4 960 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [1,0,0,0,0,0|2,0,1]=4 961 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [1,0,0,0,0,0|2,0,1]=4 962 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [1,0,0,0,0,0|1,0,1]=3 963 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [1,0,0,0,0,0|1,0,1]=3 964 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,0,0,0,0,0|1,0,0]=2 965 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,0,0,0,0,0|2,0,0]=3 966 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|1,0,1]=3 967 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|1,0,1]=3 968 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|1,0,1]=3 969 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|1,0,1]=3 970 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,0,0,0,0,0|2,0,0]=3 971 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,0,0,0,0,0|2,0,0]=3 972 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,0,0,0,0,0|2,0,0]=3 973 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,0,0,0,0,0|2,0,0]=3 974 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,0,0,0,0,0|2,0,0]=3 975 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,0,0,0,0,0|2,0,0]=3 976 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,0,0,0,0,0|2,0,0]=3 977 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,0,0,0,0,0|2,0,0]=3 978 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,0,0,0,0,0|1,0,1]=3 979 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,0,0,0,0,0|1,0,1]=3 980 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,0,0,0,0,0|2,0,1]=4 981 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,0,0,0,0,0|2,0,1]=4 982 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,0,0,0,0,0|2,0,1]=4 983 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,0,0,0,0,0|2,0,1]=4 984 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,0,0,0,0,0|2,0,1]=4 985 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,0,0,0,0,0|2,0,1]=4 986 B10R0.71 C=CCCCOCCOC=C 34a_100000033082_100000757094 [1,0,0,0,0,0|2,0,1]=4 987 B10R0.71 C=CCCCOCCOC=C 34a_100000758997_100000039644 [1,0,0,0,0,0|2,0,1]=4 988 B10R0.71 C=CCCCOCCOC=C 7a_100000758997_100000039644 [1,0,0,0,0,0|2,0,1]=4 989 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [1,0,0,0,0,0|2,0,1]=4 990 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [1,0,0,0,0,0|2,0,1]=4 991 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [1,0,0,0,0,0|2,0,1]=4 992 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [1,0,0,0,0,0|2,0,1]=4 993 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [1,0,0,0,0,0|2,0,1]=4 994 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [1,0,0,0,0,0|2,0,1]=4 995 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [1,0,0,0,0,0|2,0,1]=4 996 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [1,0,0,0,0,0|2,0,1]=4 997 B10R0.71 C=CCCCSCCCC#N 62a_100000687738_100000757094 [1,0,0,0,0,0|2,0,1]=4 998 B10R0.71 C=CCCCSCCCC#N 62a_100011713584_100000687738 [1,0,0,0,0,0|2,0,1]=4 999 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [1,0,0,0,0,0|1,0,1]=3 1000 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,0,0,0,0,0|1,0,0]=2 1001 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,0,0,0,0,0|1,0,0]=2 1002 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|1,0,1]=3 1003 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|1,0,1]=3 1004 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,0,0,0,0,0|2,0,0]=3 1005 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,0,0,0,0,0|2,0,0]=3 1006 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,0,0,0,0,0|1,0,1]=3 1007 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,0,0,0,0,0|1,0,1]=3 1008 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,0,0,0,0,0|2,0,1]=4 1009 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,0,0,0,0,0|2,0,1]=4 1010 B10R0.71 C=CCCCSCCOC=C 62a_100000039644_100000757094 [1,0,0,0,0,0|2,0,1]=4 1011 B10R0.71 C=CCCCSCCOC=C 62a_100011713584_100000039644 [1,0,0,0,0,0|2,0,1]=4 1012 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [1,0,0,0,0,0|2,0,1]=4 1013 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [1,0,0,0,0,0|2,0,1]=4 1014 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [1,0,0,0,0,0|2,0,1]=4 1015 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [1,0,0,0,0,0|2,0,1]=4 1016 B10R0.71 C=CCCNCCCCC#N 2230a_100015191253_100000211819 [1,0,0,0,0,0|2,0,1]=4 1017 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,0,0,0,0,0|1,0,0]=2 1018 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|1,0,1]=3 1019 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|1,0,1]=3 1020 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,0,0,0,0,0|2,0,0]=3 1021 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|1,0,1]=3 1022 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|1,0,1]=3 1023 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|1,0,1]=3 1024 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|2,0,1]=4 1025 B10R0.71 C=CCCNCCCOC=C 2230a_100000210767_100000754431 [1,0,0,0,0,0|2,0,1]=4 1026 B10R0.71 C=CCCNCCCOC=C 34a_100000210767_100000754431 [1,0,0,0,0,0|2,0,1]=4 1027 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,0,0,0,0,0|2,0,1]=4 1028 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,0,0,0,0,0|2,0,1]=4 1029 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,0,0,0,0,0|2,0,1]=4 1030 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,0,0,0,0,0|2,0,1]=4 1031 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 1032 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 1033 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [1,0,0,0,0,0|2,0,1]=4 1034 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [1,0,0,0,0,0|2,0,1]=4 1035 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [1,0,0,0,0,0|2,0,1]=4 1036 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,0,0,0,0,0|2,0,1]=4 1037 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [1,0,0,0,0,0|2,0,1]=4 1038 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,0,0,0,0,0|2,0,1]=4 1039 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [1,0,0,0,0,0|2,0,1]=4 1040 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,0,0,0,0,0|2,0,0]=3 1041 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,0,0,0,0,0|2,0,0]=3 1042 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|1,0,1]=3 1043 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|1,0,1]=3 1044 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|1,0,1]=3 1045 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,0,0,0,0,0|2,0,0]=3 1046 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,0,0,0,0,0|2,0,0]=3 1047 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,0,0,0,0,0|2,0,0]=3 1048 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,0,0,0,0,0|2,0,0]=3 1049 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,0,0,0,0,0|2,0,0]=3 1050 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,0,0,0,0,0|2,0,0]=3 1051 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|1,0,1]=3 1052 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|2,0,1]=4 1053 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|2,0,1]=4 1054 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|2,0,1]=4 1055 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|2,0,1]=4 1056 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,0,0,0,0,0|2,0,1]=4 1057 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,0,0,0,0,0|2,0,1]=4 1058 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,0,0,0,0,0|2,0,1]=4 1059 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,0,0,0,0,0|2,0,1]=4 1060 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,0,0,0,0,0|2,0,1]=4 1061 B10R0.71 C=CCCOCCOCC=C 34a_100000037705_100000754431 [1,0,0,0,0,0|2,0,1]=4 1062 B10R0.71 C=CCCOCCOCC=C 7a_100000037705_100000754431 [1,0,0,0,0,0|2,0,1]=4 1063 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [1,0,0,0,0,0|3,0,0]=4 1064 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [1,0,0,0,0,0|3,0,0]=4 1065 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,0,0,0,0,0|2,0,1]=4 1066 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,0,0,0,0,0|2,0,1]=4 1067 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,0,0,0,0,0|2,0,1]=4 1068 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [1,0,0,0,0,0|3,0,0]=4 1069 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [1,0,0,0,0,0|3,0,0]=4 1070 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [1,0,0,0,0,0|3,0,0]=4 1071 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [1,0,0,0,0,0|3,0,0]=4 1072 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [1,0,0,0,0,0|3,0,0]=4 1073 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [1,0,0,0,0,0|3,0,0]=4 1074 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [1,0,0,0,0,0|3,0,0]=4 1075 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [1,0,0,0,0,0|2,0,1]=4 1076 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,0,0,0,0,0|2,0,1]=4 1077 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,0,0,0,0,0|2,0,1]=4 1078 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,0,0,0,0,0|2,0,1]=4 1079 B10R0.71 C=CCCSCCCCC#N 62a_100000754431_100000211819 [1,0,0,0,0,0|2,0,1]=4 1080 B10R0.71 C=CCCSCCCCC#N 62a_100011219923_100000754431 [1,0,0,0,0,0|2,0,1]=4 1081 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,0,0,0,0,0|1,0,0]=2 1082 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,0,0,0,0,0|1,0,0]=2 1083 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|1,0,1]=3 1084 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|1,0,1]=3 1085 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,0,0,0,0,0|2,0,0]=3 1086 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,0,0,0,0,0|2,0,0]=3 1087 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|1,0,1]=3 1088 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|1,0,1]=3 1089 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|2,0,1]=4 1090 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|2,0,1]=4 1091 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,0,0,0,0,0|2,0,1]=4 1092 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,0,0,0,0,0|2,0,1]=4 1093 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,0,0,0,0,0|2,0,1]=4 1094 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,0,0,0,0,0|2,0,1]=4 1095 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [1,0,0,0,0,0|2,0,1]=4 1096 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [1,0,0,0,0,0|2,0,1]=4 1097 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,0,0,0,0,0|2,0,1]=4 1098 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,0,0,0,0,0|2,0,1]=4 1099 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [1,0,0,0,0,0|2,0,1]=4 1100 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,0,0,0,0,0|1,0,0]=2 1101 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,1]=3 1102 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,1]=3 1103 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,0,0,0,0,0|2,0,0]=3 1104 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|1,0,1]=3 1105 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|1,0,1]=3 1106 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|1,0,1]=3 1107 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,0,0,0,0,0|2,0,1]=4 1108 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,0,0,0,0,0|2,0,1]=4 1109 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,0,0,0,0,0|2,0,1]=4 1110 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,0,0,0,0,0|2,0,1]=4 1111 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,0,0,0,0,0|2,0,1]=4 1112 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,0,0,0,0,0|2,0,1]=4 1113 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,0,0,0,0|2,0,0]=3 1114 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,0,0,0,0|2,0,0]=3 1115 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|1,0,1]=3 1116 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|1,0,1]=3 1117 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|1,0,1]=3 1118 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,0,0,0,0|2,0,0]=3 1119 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,0,0,0,0|2,0,0]=3 1120 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,0,0,0,0|2,0,0]=3 1121 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,0,0,0,0|2,0,0]=3 1122 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,0,0,0,0|2,0,0]=3 1123 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,0]=3 1124 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|1,0,1]=3 1125 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,0,0,0,0|2,0,1]=4 1126 B10R0.71 C=CCOCCCCOC=C 34a_100000031558_100015514636 [1,0,0,0,0,0|2,0,1]=4 1127 B10R0.71 C=CCOCCCCOC=C 7a_100000031558_100015514636 [1,0,0,0,0,0|2,0,1]=4 1128 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,0,0,0,0|2,0,1]=4 1129 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,0,0,0,0|2,0,1]=4 1130 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,0,0,0,0|2,0,1]=4 1131 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,0,0,0,0|2,0,1]=4 1132 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,0,0,0,0|2,0,1]=4 1133 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [1,0,0,0,0,0|3,0,0]=4 1134 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [1,0,0,0,0,0|3,0,0]=4 1135 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [1,0,0,0,0,0|2,0,1]=4 1136 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [1,0,0,0,0,0|2,0,1]=4 1137 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,0,0,0,0,0|2,0,1]=4 1138 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,0,0,0,0,0|2,0,1]=4 1139 B10R0.71 C=CCSCCCCCC#N 62a_100000210623_100009813376 [1,0,0,0,0,0|2,0,1]=4 1140 B10R0.71 C=CCSCCCCCC#N 62a_100009813376_100000210623 [1,0,0,0,0,0|2,0,1]=4 1141 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,0,0,0,0,0|1,0,0]=2 1142 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,0,0,0,0,0|1,0,0]=2 1143 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|1,0,1]=3 1144 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|1,0,1]=3 1145 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,0,0,0,0,0|2,0,0]=3 1146 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,0,0,0,0,0|2,0,0]=3 1147 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|1,0,1]=3 1148 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|1,0,1]=3 1149 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,0,0,0,0,0|2,0,1]=4 1150 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,0,0,0,0,0|2,0,1]=4 1151 B10R0.71 C=COCCCCOCC=O 34a_100000031558_200009817547 [1,0,0,0,0,0|2,0,0]=3 1152 B10R0.71 C=COCCCCOCC=O 7a_100000031558_200015260668 [1,0,0,0,0,0|2,0,0]=3 1153 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 1154 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 1155 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [1,0,0,0,0,0|3,0,0]=4 1156 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [1,0,0,0,0,0|3,0,0]=4 1157 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1158 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1159 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,0,0,0,0|2,0,1]=4 1160 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,0,0,0,0|2,0,1]=4 1161 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [1,0,0,0,0,0|3,0,0]=4 1162 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [1,0,0,0,0,0|3,0,0]=4 1163 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [1,0,0,0,0,0|2,0,1]=4 1164 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [1,0,0,0,0,0|2,0,1]=4 1165 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,0,0,0,0|2,0,1]=4 1166 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [1,0,0,0,0,0|2,0,1]=4 1167 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [1,0,0,0,0,0|2,0,1]=4 1168 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [1,0,0,0,0,0|3,0,0]=4 1169 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,0,0,0,0|2,0,1]=4 1170 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 1171 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 1172 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [1,0,0,0,0,0|3,0,0]=4 1173 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [1,0,0,0,0,0|3,0,0]=4 1174 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [1,0,0,0,0,0|3,0,0]=4 1175 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [1,0,0,0,0,0|3,0,0]=4 1176 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [1,0,0,0,0,0|3,0,0]=4 1177 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [1,0,0,0,0,0|3,0,0]=4 1178 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [1,0,0,0,0,0|3,0,0]=4 1179 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [1,0,0,0,0,0|2,0,1]=4 1180 B10R0.71 C=COCCSCCCC=O 62a_100000039644_200011292268 [1,0,0,0,0,0|2,0,0]=3 1181 B10R0.71 C=COCCSCCCC=O 62a_200011292268_100000039644 [1,0,0,0,0,0|2,0,0]=3 1182 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,0,0,0,0|2,0,1]=4 1183 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,0,0,0,0|2,0,1]=4 1184 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [1,0,0,0,0,0|3,0,0]=4 1185 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [1,0,0,0,0,0|3,0,0]=4 1186 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [1,0,0,0,0,0|2,0,1]=4 1187 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [1,0,0,0,0,0|2,0,1]=4 1188 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,0,0,0,0,0|1,0,2]=4 1189 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,0,0,0,0,0|1,0,2]=4 1190 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|1,0,2]=4 1191 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|1,0,2]=4 1192 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|1,0,2]=4 1193 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|1,0,2]=4 1194 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|1,0,2]=4 1195 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|1,0,2]=4 1196 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|1,0,2]=4 1197 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|1,0,2]=4 1198 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|1,0,2]=4 1199 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|1,0,2]=4 1200 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|1,0,2]=4 1201 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|1,0,2]=4 1202 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|1,0,2]=4 1203 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|1,0,2]=4 1204 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,1]=3 1205 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,1]=3 1206 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,1]=3 1207 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,1]=3 1208 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,1]=3 1209 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,1]=3 1210 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,1]=3 1211 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,1]=3 1212 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,1]=3 1213 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,1]=3 1214 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,1]=3 1215 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,1]=3 1216 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|2,0,1]=4 1217 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|2,0,1]=4 1218 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,0,0,0,0|2,0,1]=4 1219 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,0,0,0,0|2,0,1]=4 1220 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,1]=3 1221 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,1]=3 1222 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,0,0,0,0|2,0,1]=4 1223 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|2,0,1]=4 1224 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|2,0,1]=4 1225 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,0,0,0,0|2,0,1]=4 1226 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,0,0,0,0|2,0,1]=4 1227 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,1]=3 1228 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,1]=3 1229 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,0,0,0,0|2,0,1]=4 1230 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,0,0,0,0|2,0,1]=4 1231 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,0,0,0,0|2,0,1]=4 1232 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,0,0,0,0|2,0,1]=4 1233 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,0,0,0,0|2,0,1]=4 1234 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,0,0,0,0|2,0,1]=4 1235 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,0,0,0,0|2,0,1]=4 1236 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,0,0,0,0|2,0,1]=4 1237 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,0,0,0,0|2,0,1]=4 1238 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,0,0,0,0|2,0,1]=4 1239 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|1,0,2]=4 1240 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|1,0,2]=4 1241 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|1,0,2]=4 1242 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,2]=4 1243 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|1,0,2]=4 1244 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|2,0,1]=4 1245 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 1246 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 1247 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 1248 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 1249 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,1]=4 1250 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,2]=4 1251 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|2,0,1]=4 1252 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|2,0,1]=4 1253 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|2,0,1]=4 1254 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|2,0,1]=4 1255 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|2,0,1]=4 1256 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|2,0,1]=4 1257 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|2,0,1]=4 1258 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,0,0,0,0|2,0,1]=4 1259 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,0,0,0,0|2,0,1]=4 1260 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,0,2]=4 1261 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,0,2]=4 1262 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|2,0,1]=4 1263 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|2,0,1]=4 1264 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,0,0,0,0|2,0,1]=4 1265 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|2,0,1]=4 1266 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,0,0,0,0|2,0,1]=4 1267 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,0,0,0,0|2,0,1]=4 1268 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,0,0,0,0|2,0,1]=4 1269 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,0,0,0,0|2,0,1]=4 1270 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [1,0,0,0,0,0|2,0,1]=4 1271 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [1,0,0,0,0,0|2,0,1]=4 1272 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [1,0,0,0,0,0|2,0,1]=4 1273 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [1,0,0,0,0,0|2,0,1]=4 1274 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [1,0,0,0,0,0|2,0,1]=4 1275 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [1,0,0,0,0,0|2,0,1]=4 1276 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [1,0,0,0,0,0|2,0,1]=4 1277 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [1,0,0,0,0,0|2,0,1]=4 1278 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 1279 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|2,0,0]=3 1280 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [1,0,0,0,0,0|2,0,0]=3 1281 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [1,0,0,0,0,0|2,0,0]=3 1282 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,0,0,0,0|2,0,0]=3 1283 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,0,0,0,0|2,0,0]=3 1284 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|2,0,0]=3 1285 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|2,0,0]=3 1286 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,0,0,0,0|2,0,0]=3 1287 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,0,0,0,0|2,0,0]=3 1288 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,0,0,0,0|2,0,0]=3 1289 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|2,0,0]=3 1290 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|2,0,0]=3 1291 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,0]=3 1292 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 1293 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|2,0,0]=3 1294 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [1,0,0,0,0,0|2,0,0]=3 1295 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|2,0,0]=3 1296 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|2,0,0]=3 1297 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 1298 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,0]=3 1299 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,0]=3 1300 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 1301 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|2,0,0]=3 1302 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|2,0,0]=3 1303 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|2,0,0]=3 1304 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 1305 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|2,0,0]=3 1306 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|2,0,0]=3 1307 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|2,0,0]=3 1308 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|2,0,0]=3 1309 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 1310 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,0]=3 1311 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|1,0,2]=4 1312 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,2]=4 1313 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 1314 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 1315 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 1316 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 1317 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,1]=4 1318 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,0,2]=4 1319 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,0,2]=4 1320 B12R0.1 C#CCC(=O)CCCCCCC=C 1458a_100011220946_100011215473 [0,1,0,0,0,0|1,0,2]=4 1321 B12R0.1 C#CCC(=O)CCCCCCC=C 1458a_100011809334_100000184674 [0,1,0,0,0,0|1,0,2]=4 1322 B12R0.1 C#CCC(C)OCCCCCC=C 34a_100000685586_100000700193 [0,1,0,0,0,0|2,0,1]=4 1323 B12R0.1 C#CCC(C)OCCCCCC=C 7a_100000685586_100000700193 [0,1,0,0,0,0|2,0,1]=4 1324 B12R0.1 C#CCC(C)OCCCCCC=O 7a_100000685586_100000139337 [0,1,0,0,0,0|1,0,2]=4 1325 B12R0.1 C#CCCCCCCC(=O)CC=C 1458a_100000034748_100000210623 [0,1,0,0,0,0|1,0,2]=4 1326 B12R0.1 C#CCCCCCCC(=O)CC=C 1458a_100000210193_100012276617 [0,1,0,0,0,0|1,0,2]=4 1327 B12R0.1 C#CCCCCCCN(C)CC=C 2230a_100000225617_100012276617 [0,1,0,0,0,0|2,0,1]=4 1328 B12R0.1 C#CCCCCCCN(C)CC=C 269982a_100000225617_100012276617 [0,1,0,0,0,0|2,0,1]=4 1329 B12R0.1 C#CCCCCCO[C@H](C)CC=C 34a_100000731007_100012094781 [0,1,0,0,0,0|2,0,1]=4 1330 B12R0.1 C#CCCCCCO[C@H](C)CC=C 7a_100000731007_100012094781 [0,1,0,0,0,0|2,0,1]=4 1331 B12R0.1 C#CCCCCOCC(C)CC=C 34a_100009832082_100010269958 [0,1,0,0,0,0|2,0,1]=4 1332 B12R0.1 C#CCCCCOCC(C)CC=C 7a_100009832082_100010269958 [0,1,0,0,0,0|2,0,1]=4 1333 B12R0.1 C#CCCCCOC[C@H](N)CC=C 34a_100020615467_100010269958 [0,1,0,0,0,0|2,0,1]=4 1334 B12R0.1 C#CCN(C)CCCCCCC=C 2230a_100000225692_100011215473 [0,1,0,0,0,0|2,0,1]=4 1335 B12R0.1 C#CCN(C)CCCCCCC=C 34a_100000225692_100011215473 [0,1,0,0,0,0|2,0,1]=4 1336 B12R0.1 C=CCC(=O)CCCCCCC#N 1458a_100000210193_100009813337 [0,1,0,0,0,0|1,0,2]=4 1337 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,1,0,0,0,0|1,0,2]=4 1338 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,1,0,0,0,0|1,0,2]=4 1339 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,1,0,0,0,0|0,0,3]=4 1340 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,1,0,0,0,0|0,0,3]=4 1341 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,1,0,0,0,0|2,0,1]=4 1342 B12R0.1 C=CCC(C)COCCCCC#N 7a_100009832082_100000211819 [0,1,0,0,0,0|2,0,1]=4 1343 B12R0.1 C=CCC(C)COCCCCC=O 7a_100009832082_100000139335 [0,1,0,0,0,0|1,0,0]=2 1344 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,1,0,0,0,0|2,0,1]=4 1345 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,1,0,0,0,0|2,0,1]=4 1346 B12R0.1 C=CCC(C)COCCCCCF 34a_100009832082_100000729378 [0,1,0,0,0,0|2,0,1]=4 1347 B12R0.1 C=CCC(C)COCCCCCF 7a_100009832082_100000729378 [0,1,0,0,0,0|2,0,1]=4 1348 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,1,0,0,0,0|1,0,2]=4 1349 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,1,0,0,0,0|1,0,2]=4 1350 B12R0.1 C=CCC(C)COCCCCOC 34a_100009832082_100000755781 [0,1,0,0,0,0|3,0,0]=4 1351 B12R0.1 C=CCC(C)COCCCCOC 7a_100009832082_100000730899 [0,1,0,0,0,0|3,0,0]=4 1352 B12R0.1 C=CCCCCCCC(=O)C=CBr 1458a_100016273825_100011215473 [0,1,0,0,0,0|1,0,2]=4 1353 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,1,0,0,0,0|1,0,2]=4 1354 B12R0.1 C=CCCCCCCC(=O)C=CCl 1458a_200016279998_100011215473 [0,1,0,0,0,0|1,0,2]=4 1355 B12R0.1 C=CCCCCCCC(=O)C=CI 1458a_100016256311_100011215473 [0,1,0,0,0,0|1,0,2]=4 1356 B12R0.1 C=CCCCCCCC(=O)CC#N 1458a_100011809334_100011214920 [0,1,0,0,0,0|1,0,2]=4 1357 B12R0.1 C=CCCCCCCC(=O)CC#N 1458a_100051588842_100011215473 [0,1,0,0,0,0|1,0,2]=4 1358 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100000210193_100011215473 [0,1,0,0,0,0|1,0,1]=3 1359 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100011809334_100000210623 [0,1,0,0,0,0|1,0,1]=3 1360 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,0,0,0,0|1,0,2]=4 1361 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,0,0,0,0|1,0,2]=4 1362 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,1,0,0,0,0|1,0,2]=4 1363 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,1,0,0,0,0|0,0,3]=4 1364 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,1,0,0,0,0|0,0,3]=4 1365 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,1,0,0,0,0|2,0,1]=4 1366 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,1,0,0,0,0|2,0,1]=4 1367 B12R0.1 C=CCCCCCCN(C)CC#N 2230a_100000748184_100011215473 [0,1,0,0,0,0|2,0,1]=4 1368 B12R0.1 C=CCCCCCCN(C)CC=C 2230a_100000225617_100011215473 [0,1,0,0,0,0|2,0,0]=3 1369 B12R0.1 C=CCCCCCCN(C)CC=C 269982a_100000225617_100011215473 [0,1,0,0,0,0|2,0,0]=3 1370 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [0,1,0,0,0,0|2,0,1]=4 1371 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [0,1,0,0,0,0|2,0,1]=4 1372 B12R0.1 C=CCCCCCCN(C)CCO 2230a_100000210263_100011215473 [0,1,0,0,0,0|1,0,2]=4 1373 B12R0.1 C=CCCCCCCN(C)CCO 269982a_100000210263_100011215473 [0,1,0,0,0,0|1,0,2]=4 1374 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [0,1,0,0,0,0|2,0,1]=4 1375 B12R0.1 C=CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000700193 [0,1,0,0,0,0|2,0,1]=4 1376 B12R0.1 C=CCCCCCN[C@H](C)CCO 2230a_100000706166_100000700193 [0,1,0,0,0,0|1,0,2]=4 1377 B12R0.1 C=CCCCCCN[C@H](C)CCO 34a_100000706166_100000700193 [0,1,0,0,0,0|1,0,2]=4 1378 B12R0.1 C=CCCCCCN[C@H](C)COC 2230a_100000764878_100000700193 [0,1,0,0,0,0|3,0,0]=4 1379 B12R0.1 C=CCCCCCOC(C)/C=C/C 34a_200102604097_100000700193 [0,1,0,0,0,0|2,0,1]=4 1380 B12R0.1 C=CCCCCCOC(C)CC#N 7a_100011216702_100009813641 [0,1,0,0,0,0|2,0,1]=4 1381 B12R0.1 C=CCCCCCOC(C)CCBr 34a_100012276601_100000700193 [0,1,0,0,0,0|2,0,1]=4 1382 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,1,0,0,0,0|2,0,1]=4 1383 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,1,0,0,0,0|2,0,1]=4 1384 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,1,0,0,0,0|2,0,1]=4 1385 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,1,0,0,0,0|2,0,1]=4 1386 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [0,1,0,0,0,0|1,0,2]=4 1387 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [0,1,0,0,0,0|1,0,2]=4 1388 B12R0.1 C=CCCCCCOC(C)COC 34a_100011216702_100000765312 [0,1,0,0,0,0|3,0,0]=4 1389 B12R0.1 C=CCCCCCOC(C)COC 7a_100011216702_100000765312 [0,1,0,0,0,0|3,0,0]=4 1390 B12R0.1 C=CCCCCCO[C@H](C)CC=C 34a_100000731007_100000700193 [0,1,0,0,0,0|2,0,0]=3 1391 B12R0.1 C=CCCCCCO[C@H](C)CC=C 7a_100000731007_100000700193 [0,1,0,0,0,0|2,0,0]=3 1392 B12R0.1 C=CCCCCCO[C@H](C)COC 34a_100011934205_100000700193 [0,1,0,0,0,0|3,0,0]=4 1393 B12R0.1 C=CCCCCCSC(C)CC#N 62a_100000700193_100009813641 [0,1,0,0,0,0|2,0,1]=4 1394 B12R0.1 C=CCCCCCSC(C)CC#N 62a_100009813641_100000700193 [0,1,0,0,0,0|2,0,1]=4 1395 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [0,1,0,0,0,0|2,0,1]=4 1396 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [0,1,0,0,0,0|2,0,1]=4 1397 B12R0.1 C=CCCCCCSC(C)CCO 62a_100000700193_100009893172 [0,1,0,0,0,0|1,0,2]=4 1398 B12R0.1 C=CCCCCCSC(C)CCO 62a_100009893172_100000700193 [0,1,0,0,0,0|1,0,2]=4 1399 B12R0.1 C=CCCCCCSC(C)COC 62a_100000700193_100000765312 [0,1,0,0,0,0|3,0,0]=4 1400 B12R0.1 C=CCCCCCSC(C)COC 62a_100000765312_100000700193 [0,1,0,0,0,0|3,0,0]=4 1401 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [0,1,0,0,0,0|2,0,1]=4 1402 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [0,1,0,0,0,0|2,0,1]=4 1403 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [0,1,0,0,0,0|2,0,1]=4 1404 B12R0.1 C=CCCCCNCC(O)COC 2230a_100000756049_100011215482 [0,1,0,0,0,0|3,0,0]=4 1405 B12R0.1 C=CCCCCNCC(O)COC 34a_100000703577_100011215053 [0,1,0,0,0,0|3,0,0]=4 1406 B12R0.1 C=CCCCCNCC(O)COC 34a_100000756049_100011215482 [0,1,0,0,0,0|3,0,0]=4 1407 B12R0.1 C=CCCCCNC[C@@H](O)CC#N 2230a_100000703577_100000001066 [0,1,0,0,0,0|2,0,1]=4 1408 B12R0.1 C=CCCCCOCC(C)CC=C 34a_100009832082_100011215482 [0,1,0,0,0,0|2,0,0]=3 1409 B12R0.1 C=CCCCCOCC(C)CC=C 7a_100009832082_100011215482 [0,1,0,0,0,0|2,0,0]=3 1410 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [0,1,0,0,0,0|2,0,1]=4 1411 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [0,1,0,0,0,0|2,0,1]=4 1412 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [0,1,0,0,0,0|2,0,1]=4 1413 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [0,1,0,0,0,0|2,0,1]=4 1414 B12R0.1 C=CCCCCOCC(C)CCN 34a_106354213184_100011215482 [0,1,0,0,0,0|2,0,1]=4 1415 B12R0.1 C=CCCCCOCC(N)COC 34a_100000724102_100011215482 [0,1,0,0,0,0|3,0,0]=4 1416 B12R0.1 C=CCCCCOCC(O)COC 34a_100000766645_100011215053 [0,1,0,0,0,0|3,0,0]=4 1417 B12R0.1 C=CCCCCOCC(O)COC 7a_100000766645_100011215053 [0,1,0,0,0,0|3,0,0]=4 1418 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [0,1,0,0,0,0|2,0,1]=4 1419 B12R0.1 C=CCCCCOC[C@@H](O)CC#N 7a_100000766645_100000001066 [0,1,0,0,0,0|2,0,1]=4 1420 B12R0.1 C=CCCCCOC[C@H](N)CC=C 34a_100020615467_100011215482 [0,1,0,0,0,0|2,0,0]=3 1421 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [0,1,0,0,0,0|2,0,1]=4 1422 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [0,1,0,0,0,0|2,0,1]=4 1423 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215053_100011215482 [0,1,0,0,0,0|3,0,0]=4 1424 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215482_100011215053 [0,1,0,0,0,0|3,0,0]=4 1425 B12R0.1 C=CCCCCSC[C@@H](O)CC#N 62a_100000001066_100011215482 [0,1,0,0,0,0|2,0,1]=4 1426 B12R0.1 C=CCCCCSC[C@@H](O)CC#N 62a_100011215482_100000001066 [0,1,0,0,0,0|2,0,1]=4 1427 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [0,1,0,0,0,0|2,0,1]=4 1428 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [0,1,0,0,0,0|2,0,1]=4 1429 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [0,1,0,0,0,0|2,0,1]=4 1430 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [0,1,0,0,0,0|2,0,1]=4 1431 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [0,1,0,0,0,0|2,0,1]=4 1432 B12R0.1 C=CCN(C)CCCCCCC#N 2230a_100000225617_100009813337 [0,1,0,0,0,0|2,0,1]=4 1433 B12R0.1 C=CCN(C)CCCCCCC#N 269982a_100000225617_100009813337 [0,1,0,0,0,0|2,0,1]=4 1434 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [0,1,0,0,0,0|2,0,1]=4 1435 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [0,1,0,0,0,0|2,0,1]=4 1436 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [0,1,0,0,0,0|2,0,1]=4 1437 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [0,1,0,0,0,0|2,0,1]=4 1438 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [0,1,0,0,0,0|1,0,2]=4 1439 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [0,1,0,0,0,0|1,0,2]=4 1440 B12R0.1 C=CCN(C)CCCCCCOC 2230a_100000225617_100011998445 [0,1,0,0,0,0|3,0,0]=4 1441 B12R0.1 C=CCN(C)CCCCCCOC 269982a_100000225617_100011998445 [0,1,0,0,0,0|3,0,0]=4 1442 B12R0.1 C=CC[C@@H](C)OCCCCCC#N 7a_100000731007_100009813376 [0,1,0,0,0,0|2,0,1]=4 1443 B12R0.1 C=CC[C@@H](C)OCCCCCC=O 7a_100000731007_100000139337 [0,1,0,0,0,0|1,0,0]=2 1444 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,1,0,0,0,0|2,0,1]=4 1445 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,1,0,0,0,0|2,0,1]=4 1446 B12R0.1 C=CC[C@@H](C)OCCCCCCF 34a_100000731007_100015922095 [0,1,0,0,0,0|2,0,1]=4 1447 B12R0.1 C=CC[C@@H](C)OCCCCCCF 7a_100000731007_100015922095 [0,1,0,0,0,0|2,0,1]=4 1448 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [0,1,0,0,0,0|1,0,2]=4 1449 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [0,1,0,0,0,0|1,0,2]=4 1450 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,1,0,0,0,0|2,0,1]=4 1451 B12R0.1 C=CC[C@@H](N)COCCCCCF 34a_100020615467_100000729378 [0,1,0,0,0,0|2,0,1]=4 1452 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,1,0,0,0,0|1,0,2]=4 1453 B12R0.1 C=CC[C@@H](N)COCCCCOC 34a_100020615467_100000755781 [0,1,0,0,0,0|3,0,0]=4 1454 B12R0.1 C=COC(=O)CSCCCCC=O 62a_100000036128_100000139335 [0,1,0,0,0,0|2,0,1]=4 1455 B12R0.1 C=COC(=O)CSCCCCC=O 62a_100000139335_100000036128 [0,1,0,0,0,0|2,0,1]=4 1456 B12R0.1 CC(CC#N)SCCCCCC=O 62a_100000139337_100009813641 [0,1,0,0,0,0|2,0,1]=4 1457 B12R0.1 CC(CC#N)SCCCCCC=O 62a_100009813641_100000139337 [0,1,0,0,0,0|2,0,1]=4 1458 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [0,1,0,0,0,0|2,0,1]=4 1459 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [0,1,0,0,0,0|2,0,1]=4 1460 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [0,1,0,0,0,0|1,0,2]=4 1461 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [0,1,0,0,0,0|1,0,2]=4 1462 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [0,1,0,0,0,0|1,0,2]=4 1463 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [0,1,0,0,0,0|1,0,2]=4 1464 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [0,1,0,0,0,0|1,0,2]=4 1465 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,1,0,0,0,0|1,0,2]=4 1466 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [0,1,0,0,0,0|1,0,2]=4 1467 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [0,1,0,0,0,0|1,0,2]=4 1468 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,1,0,0,0,0|1,0,2]=4 1469 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,1,0,0,0,0|1,0,2]=4 1470 B12R0.1 COCC(C)SCCCCCC=O 62a_100000139337_100000765312 [0,1,0,0,0,0|2,0,1]=4 1471 B12R0.1 COCC(C)SCCCCCC=O 62a_100000765312_100000139337 [0,1,0,0,0,0|2,0,1]=4 1472 B12R0.1 COCC(O)CNCCCCC=O 2230a_100000756049_100000139335 [0,1,0,0,0,0|2,0,1]=4 1473 B12R0.1 COCC(O)CSCCCCC=O 62a_100000139335_100011215053 [0,1,0,0,0,0|2,0,1]=4 1474 B12R0.1 COCC(O)CSCCCCC=O 62a_100011215053_100000139335 [0,1,0,0,0,0|2,0,1]=4 1475 B12R0.1 COC[C@@H](C)NCCCCCC=O 2230a_100000764878_100000139337 [0,1,0,0,0,0|2,0,1]=4 1476 B12R0.1 C[C@@H](CC#N)NCCCCCC=O 2230a_100016994482_100000139337 [0,1,0,0,0,0|2,0,1]=4 1477 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [0,1,0,0,0,0|2,0,1]=4 1478 B12R0.1 N#CC[C@H](O)CSCCCCC=O 62a_100000001066_100000139335 [0,1,0,0,0,0|2,0,1]=4 1479 B12R0.1 N#CC[C@H](O)CSCCCCC=O 62a_100000139335_100000001066 [0,1,0,0,0,0|2,0,1]=4 1480 B12R0.5 C#CCCCCCCCNCC=C 2230a_100020586998_100153394163 [0,1,0,0,0,0|1,0,1]=3 1481 B12R0.5 C#CCCCCCCCOCC=C 34a_100000054614_100015514636 [0,1,0,0,0,0|1,0,1]=3 1482 B12R0.5 C#CCCCCCCCOCC=C 34a_200000210373_100153394163 [0,1,0,0,0,0|1,0,1]=3 1483 B12R0.5 C#CCCCCCCCOCC=C 7a_100000054614_100015514636 [0,1,0,0,0,0|1,0,1]=3 1484 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [0,1,0,0,0,0|0,0,2]=3 1485 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [0,1,0,0,0,0|0,0,2]=3 1486 B12R0.5 C#CCCCCCCCSCC=C 62a_100000210623_100153394163 [0,1,0,0,0,0|1,0,1]=3 1487 B12R0.5 C#CCCCCCCCSCC=C 62a_100153394163_100000210623 [0,1,0,0,0,0|1,0,1]=3 1488 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [0,1,0,0,0,0|0,0,2]=3 1489 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [0,1,0,0,0,0|0,0,2]=3 1490 B12R0.5 C#CCCCCCCNCCC=C 2230a_100015191253_100012276617 [0,1,0,0,0,0|1,0,1]=3 1491 B12R0.5 C#CCCCCCCOC/C=C/C 34a_100011217361_100102629194 [0,1,0,0,0,0|2,0,1]=4 1492 B12R0.5 C#CCCCCCCOC/C=C/C 34a_100016270725_100012276617 [0,1,0,0,0,0|2,0,1]=4 1493 B12R0.5 C#CCCCCCCOC/C=C/C 7a_100011217361_100102629194 [0,1,0,0,0,0|2,0,1]=4 1494 B12R0.5 C#CCCCCCCOCC=CC 34a_100011217361_100000070051 [0,1,0,0,0,0|2,0,1]=4 1495 B12R0.5 C#CCCCCCCOCC=CC 7a_100011217361_100000070051 [0,1,0,0,0,0|2,0,1]=4 1496 B12R0.5 C#CCCCCCCOCCC=C 34a_100011205117_100012276617 [0,1,0,0,0,0|1,0,1]=3 1497 B12R0.5 C#CCCCCCCOCCC=C 34a_100011217361_100000754431 [0,1,0,0,0,0|1,0,1]=3 1498 B12R0.5 C#CCCCCCCOCCC=C 7a_100011217361_100000754431 [0,1,0,0,0,0|1,0,1]=3 1499 B12R0.5 C#CCCCCCCSC/C=C/C 62a_100012276617_100102629194 [0,1,0,0,0,0|2,0,1]=4 1500 B12R0.5 C#CCCCCCCSC/C=C/C 62a_100102629194_100012276617 [0,1,0,0,0,0|2,0,1]=4 1501 B12R0.5 C#CCCCCCCSCC=CC 62a_100000070051_100012276617 [0,1,0,0,0,0|2,0,1]=4 1502 B12R0.5 C#CCCCCCCSCC=CC 62a_100012276617_100000070051 [0,1,0,0,0,0|2,0,1]=4 1503 B12R0.5 C#CCCCCCCSCCC=C 62a_100000754431_100012276617 [0,1,0,0,0,0|1,0,1]=3 1504 B12R0.5 C#CCCCCCCSCCC=C 62a_100012276617_100000754431 [0,1,0,0,0,0|1,0,1]=3 1505 B12R0.5 C#CCCCCCNCCCC=C 2230a_100000700776_100012094781 [0,1,0,0,0,0|1,0,1]=3 1506 B12R0.5 C#CCCCCCNCCCC=C 34a_100000700776_100012094781 [0,1,0,0,0,0|1,0,1]=3 1507 B12R0.5 C#CCCCCCOCC/C=C/C 34a_100016278192_100012094781 [0,1,0,0,0,0|2,0,1]=4 1508 B12R0.5 C#CCCCCCOCCCC=C 34a_100000758997_100012094781 [0,1,0,0,0,0|1,0,1]=3 1509 B12R0.5 C#CCCCCCOCCCC=C 34a_100000766912_100000757094 [0,1,0,0,0,0|1,0,1]=3 1510 B12R0.5 C#CCCCCCOCCCC=C 7a_100000758997_100012094781 [0,1,0,0,0,0|1,0,1]=3 1511 B12R0.5 C#CCCCCCOCCCC=C 7a_100000766912_100000757094 [0,1,0,0,0,0|1,0,1]=3 1512 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [0,1,0,0,0,0|0,0,2]=3 1513 B12R0.5 C#CCCCCCOCCOC=C 34a_100000033082_100012094781 [0,1,0,0,0,0|2,0,1]=4 1514 B12R0.5 C#CCCCCCOCCOC=C 34a_100000766912_100000039644 [0,1,0,0,0,0|2,0,1]=4 1515 B12R0.5 C#CCCCCCOCCOC=C 7a_100000766912_100000039644 [0,1,0,0,0,0|2,0,1]=4 1516 B12R0.5 C#CCCCCCSCCCC=C 62a_100011713584_100012094781 [0,1,0,0,0,0|1,0,1]=3 1517 B12R0.5 C#CCCCCCSCCCC=C 62a_100012094781_100000757094 [0,1,0,0,0,0|1,0,1]=3 1518 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [0,1,0,0,0,0|0,0,2]=3 1519 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [0,1,0,0,0,0|0,0,2]=3 1520 B12R0.5 C#CCCCCCSCCOC=C 62a_100000039644_100012094781 [0,1,0,0,0,0|2,0,1]=4 1521 B12R0.5 C#CCCCCCSCCOC=C 62a_100012094781_100000039644 [0,1,0,0,0,0|2,0,1]=4 1522 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000703577_100010269958 [0,1,0,0,0,0|1,0,1]=3 1523 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000706060_100011215482 [0,1,0,0,0,0|1,0,1]=3 1524 B12R0.5 C#CCCCCNCCCCC=C 34a_100000703577_100010269958 [0,1,0,0,0,0|1,0,1]=3 1525 B12R0.5 C#CCCCCNCCCCC=C 34a_100000706060_100011215482 [0,1,0,0,0,0|1,0,1]=3 1526 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [0,1,0,0,0,0|0,0,2]=3 1527 B12R0.5 C#CCCCCNCCCOC=C 2230a_100000210767_100010269958 [0,1,0,0,0,0|2,0,1]=4 1528 B12R0.5 C#CCCCCNCCCOC=C 34a_100000210767_100010269958 [0,1,0,0,0,0|2,0,1]=4 1529 B12R0.5 C#CCCCCOCCCC=CC 34a_100020645299_100010269958 [0,1,0,0,0,0|2,0,1]=4 1530 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766645_100010269958 [0,1,0,0,0,0|1,0,1]=3 1531 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766709_100011215482 [0,1,0,0,0,0|1,0,1]=3 1532 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766645_100010269958 [0,1,0,0,0,0|1,0,1]=3 1533 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766709_100011215482 [0,1,0,0,0,0|1,0,1]=3 1534 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [0,1,0,0,0,0|0,0,2]=3 1535 B12R0.5 C#CCCCCOCCOCC=C 34a_100000037705_100010269958 [0,1,0,0,0,0|2,0,1]=4 1536 B12R0.5 C#CCCCCOCCOCC=C 7a_100000037705_100010269958 [0,1,0,0,0,0|2,0,1]=4 1537 B12R0.5 C#CCCCCSCCCCC=C 62a_100010269958_100011215482 [0,1,0,0,0,0|1,0,1]=3 1538 B12R0.5 C#CCCCCSCCCCC=C 62a_100011215482_100010269958 [0,1,0,0,0,0|1,0,1]=3 1539 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [0,1,0,0,0,0|0,0,2]=3 1540 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [0,1,0,0,0,0|0,0,2]=3 1541 B12R0.5 C#CCCCNCCCCCC=C 34a_100000718082_100000700193 [0,1,0,0,0,0|1,0,1]=3 1542 B12R0.5 C#CCCCOCCCCCC=C 34a_100000215630_100000700193 [0,1,0,0,0,0|1,0,1]=3 1543 B12R0.5 C#CCCCOCCCCCC=C 34a_100011216702_100000695029 [0,1,0,0,0,0|1,0,1]=3 1544 B12R0.5 C#CCCCOCCCCCC=C 7a_100000215630_100000700193 [0,1,0,0,0,0|1,0,1]=3 1545 B12R0.5 C#CCCCOCCCCCC=C 7a_100011216702_100011215417 [0,1,0,0,0,0|1,0,1]=3 1546 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [0,1,0,0,0,0|0,0,2]=3 1547 B12R0.5 C#CCCCOCCCCOC=C 34a_100000031558_100000695029 [0,1,0,0,0,0|2,0,1]=4 1548 B12R0.5 C#CCCCOCCCCOC=C 7a_100000031558_100011215417 [0,1,0,0,0,0|2,0,1]=4 1549 B12R0.5 C#CCCCSCCCCCC=C 62a_100000700193_100011215417 [0,1,0,0,0,0|1,0,1]=3 1550 B12R0.5 C#CCCCSCCCCCC=C 62a_100011215417_100000700193 [0,1,0,0,0,0|1,0,1]=3 1551 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [0,1,0,0,0,0|0,0,2]=3 1552 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [0,1,0,0,0,0|0,0,2]=3 1553 B12R0.5 C#CCCNCCCCCCC=C 34a_100000755551_100011215473 [0,1,0,0,0,0|1,0,1]=3 1554 B12R0.5 C#CCCOCCCCCCC=C 34a_100011215631_100011215473 [0,1,0,0,0,0|1,0,1]=3 1555 B12R0.5 C#CCCOCCCCCCC=C 34a_200011216477_100000688953 [0,1,0,0,0,0|1,0,1]=3 1556 B12R0.5 C#CCCOCCCCCCC=C 7a_200011216477_100000688953 [0,1,0,0,0,0|1,0,1]=3 1557 B12R0.5 C#CCCSCCCCCCC=C 62a_100000688953_100011215473 [0,1,0,0,0,0|1,0,1]=3 1558 B12R0.5 C#CCCSCCCCCCC=C 62a_100011215473_100000688953 [0,1,0,0,0,0|1,0,1]=3 1559 B12R0.5 C#CCNCCCCCCCC=C 34a_100000212058_100012355270 [0,1,0,0,0,0|1,0,1]=3 1560 B12R0.5 C#CCOCCCCCCCC=C 34a_100000210247_100012355270 [0,1,0,0,0,0|1,0,1]=3 1561 B12R0.5 C#CCOCCCCCCCC=C 34a_100000730831_100000184674 [0,1,0,0,0,0|1,0,1]=3 1562 B12R0.5 C#CCOCCCCCCCC=C 7a_100000730831_100000038162 [0,1,0,0,0,0|1,0,1]=3 1563 B12R0.5 C#CCOCCNCCCCC=C 2230a_100000700922_100011215482 [0,1,0,0,0,0|2,0,1]=4 1564 B12R0.5 C#CCOCCNCCCCC=C 2230a_100000703577_100010402529 [0,1,0,0,0,0|2,0,1]=4 1565 B12R0.5 C#CCOCCNCCCCC=C 34a_100000700922_100011215482 [0,1,0,0,0,0|2,0,1]=4 1566 B12R0.5 C#CCOCCNCCCCC=C 34a_100000703577_100010402529 [0,1,0,0,0,0|2,0,1]=4 1567 B12R0.5 C#CCOCCNCCCCC=O 2230a_100000700922_100000139335 [0,1,0,0,0,0|1,0,2]=4 1568 B12R0.5 C#CCOCCOCCCCC=C 34a_100000054580_100011215482 [0,1,0,0,0,0|2,0,1]=4 1569 B12R0.5 C#CCOCCOCCCCC=C 34a_100000766645_100010402529 [0,1,0,0,0,0|2,0,1]=4 1570 B12R0.5 C#CCOCCOCCCCC=C 7a_100000054580_100011215482 [0,1,0,0,0,0|2,0,1]=4 1571 B12R0.5 C#CCOCCOCCCCC=C 7a_100000766645_100010402529 [0,1,0,0,0,0|2,0,1]=4 1572 B12R0.5 C#CCOCCOCCCCC=O 7a_100000054580_100000139335 [0,1,0,0,0,0|1,0,2]=4 1573 B12R0.5 C#CCOCCSCCCCC=C 62a_100010402529_100011215482 [0,1,0,0,0,0|2,0,1]=4 1574 B12R0.5 C#CCOCCSCCCCC=C 62a_100011215482_100010402529 [0,1,0,0,0,0|2,0,1]=4 1575 B12R0.5 C#CCOCCSCCCCC=O 62a_100000139335_100010402529 [0,1,0,0,0,0|1,0,2]=4 1576 B12R0.5 C#CCOCCSCCCCC=O 62a_100010402529_100000139335 [0,1,0,0,0,0|1,0,2]=4 1577 B12R0.5 C#CCSCCCCCCCC=C 62a_100000038162_100012355270 [0,1,0,0,0,0|1,0,1]=3 1578 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,1,0,0,0,0|2,0,1]=4 1579 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,1,0,0,0,0|2,0,1]=4 1580 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,1,0,0,0,0|1,0,2]=4 1581 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,1,0,0,0,0|2,0,1]=4 1582 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,1,0,0,0,0|1,0,2]=4 1583 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,1,0,0,0,0|2,0,1]=4 1584 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,1,0,0,0,0|2,0,1]=4 1585 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,1,0,0,0,0|2,0,1]=4 1586 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,1,0,0,0,0|2,0,1]=4 1587 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,1,0,0,0,0|2,0,1]=4 1588 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,1,0,0,0,0|2,0,1]=4 1589 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,1,0,0,0,0|1,0,2]=4 1590 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,1,0,0,0,0|3,0,0]=4 1591 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,1,0,0,0,0|3,0,0]=4 1592 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,1,0,0,0,0|3,0,0]=4 1593 B12R0.5 C/C=C/CSCCCCCCC#N 62a_100009813337_100102629194 [0,1,0,0,0,0|2,0,1]=4 1594 B12R0.5 C/C=C/CSCCCCCCC#N 62a_100102629194_100009813337 [0,1,0,0,0,0|2,0,1]=4 1595 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,1,0,0,0,0|2,0,1]=4 1597 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,1,0,0,0,0|1,0,2]=4 1598 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,1,0,0,0,0|1,0,2]=4 1599 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,1,0,0,0,0|3,0,0]=4 1600 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,1,0,0,0,0|3,0,0]=4 1601 B12R0.5 C=CCCC/C=C/COCCC=C 34a_200016268473_100000754431 [0,1,0,0,0,0|1,0,2]=4 1602 B12R0.5 C=CCCC/C=C/COCCC=C 7a_200016268473_100000754431 [0,1,0,0,0,0|1,0,2]=4 1603 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,1,0,0,0,0|1,0,1]=3 1604 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,1,0,0,0,0|1,0,1]=3 1605 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,1,0,0,0,0|1,0,1]=3 1606 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,1,0,0,0,0|1,0,1]=3 1607 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,1,0,0,0,0|1,0,1]=3 1608 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,1,0,0,0,0|1,0,1]=3 1609 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,1,0,0,0,0|1,0,1]=3 1610 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,1,0,0,0,0|0,0,2]=3 1611 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,1,0,0,0,0|0,0,2]=3 1612 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,1,0,0,0,0|0,0,2]=3 1613 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,1,0,0,0,0|0,0,2]=3 1614 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,1,0,0,0,0|0,0,2]=3 1615 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,1,0,0,0,0|0,1,1]=3 1616 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,1,0,0,0,0|0,1,1]=3 1617 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,1,0,0,0,0|0,1,1]=3 1618 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,1,0,0,0,0|0,1,1]=3 1619 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,1,0,0,0,0|1,0,1]=3 1620 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,1,0,0,0,0|1,0,1]=3 1621 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,1,0,0,0,0|1,0,1]=3 1622 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,1,0,0,0,0|1,0,1]=3 1623 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,1,0,0,0,0|1,0,1]=3 1624 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,1,0,0,0,0|1,0,1]=3 1625 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,1,0,0,0,0|1,0,1]=3 1626 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,1,0,0,0,0|1,0,1]=3 1627 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,1,0,0,0,0|1,0,1]=3 1628 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,1,0,0,0,0|1,0,1]=3 1629 B12R0.5 C=CCCCCCCCNCC=C 2230a_100020586998_100012355270 [0,1,0,0,0,0|1,0,0]=2 1630 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,1,0,0,0,0|1,0,1]=3 1631 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,1,0,0,0,0|0,0,2]=3 1632 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,1,0,0,0,0|0,0,2]=3 1633 B12R0.5 C=CCCCCCCCOCC#N 7a_100000730831_100011215382 [0,1,0,0,0,0|1,0,1]=3 1634 B12R0.5 C=CCCCCCCCOCC=C 34a_100000730831_100015514636 [0,1,0,0,0,0|1,0,0]=2 1635 B12R0.5 C=CCCCCCCCOCC=C 34a_200000210373_100012355270 [0,1,0,0,0,0|1,0,0]=2 1636 B12R0.5 C=CCCCCCCCOCC=C 7a_100000730831_100015514636 [0,1,0,0,0,0|1,0,0]=2 1637 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [0,1,0,0,0,0|0,0,0]=1 1638 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [0,1,0,0,0,0|0,0,0]=1 1639 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,1,0,0,0,0|1,0,1]=3 1640 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,1,0,0,0,0|1,0,1]=3 1641 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,1,0,0,0,0|1,0,1]=3 1642 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,1,0,0,0,0|1,0,1]=3 1643 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,1,0,0,0,0|1,0,1]=3 1644 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,1,0,0,0,0|1,0,1]=3 1645 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,1,0,0,0,0|1,0,1]=3 1646 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,1,0,0,0,0|0,0,2]=3 1647 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,1,0,0,0,0|0,0,2]=3 1648 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,1,0,0,0,0|2,0,0]=3 1649 B12R0.5 C=CCCCCCCCSCC#N 62a_100011215382_100012355270 [0,1,0,0,0,0|1,0,1]=3 1650 B12R0.5 C=CCCCCCCCSCC#N 62a_100012355270_100011215382 [0,1,0,0,0,0|1,0,1]=3 1651 B12R0.5 C=CCCCCCCCSCC=C 62a_100000210623_100012355270 [0,1,0,0,0,0|1,0,0]=2 1652 B12R0.5 C=CCCCCCCCSCC=C 62a_100012355270_100000210623 [0,1,0,0,0,0|1,0,0]=2 1653 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [0,1,0,0,0,0|0,0,0]=1 1654 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [0,1,0,0,0,0|0,0,0]=1 1655 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,1,0,0,0,0|1,0,1]=3 1656 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,1,0,0,0,0|1,0,1]=3 1657 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,1,0,0,0,0|1,0,1]=3 1658 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,1,0,0,0,0|1,0,1]=3 1659 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,1,0,0,0,0|0,0,2]=3 1660 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,1,0,0,0,0|0,0,2]=3 1661 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,1,0,0,0,0|2,0,0]=3 1662 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,1,0,0,0,0|2,0,0]=3 1663 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,1,0,0,0,0|2,0,0]=3 1664 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,1,0,0,0,0|2,0,0]=3 1665 B12R0.5 C=CCCCCCCNCC#CC 2230a_100000685387_100011215473 [0,1,0,0,0,0|1,0,2]=4 1666 B12R0.5 C=CCCCCCCNCC#CC 34a_100000685387_100011215473 [0,1,0,0,0,0|1,0,2]=4 1667 B12R0.5 C=CCCCCCCNCCC=C 2230a_100015191253_100011215473 [0,1,0,0,0,0|1,0,0]=2 1668 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,1,0,0,0,0|1,0,1]=3 1669 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,1,0,0,0,0|1,0,1]=3 1670 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,1,0,0,0,0|1,0,1]=3 1671 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,1,0,0,0,0|1,0,1]=3 1672 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,1,0,0,0,0|2,0,0]=3 1673 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,1,0,0,0,0|2,0,0]=3 1674 B12R0.5 C=CCCCCCCOC/C=C/C 34a_100016270725_100011215473 [0,1,0,0,0,0|1,0,1]=3 1675 B12R0.5 C=CCCCCCCOC/C=C/C 34a_200011216477_100102629194 [0,1,0,0,0,0|1,0,1]=3 1676 B12R0.5 C=CCCCCCCOC/C=C/C 7a_200011216477_100102629194 [0,1,0,0,0,0|1,0,1]=3 1677 B12R0.5 C=CCCCCCCOCC#CC 34a_100000761923_100011215473 [0,1,0,0,0,0|1,0,2]=4 1678 B12R0.5 C=CCCCCCCOCC#CC 34a_200011216477_100000748600 [0,1,0,0,0,0|1,0,2]=4 1679 B12R0.5 C=CCCCCCCOCC#CC 7a_200011216477_100000748600 [0,1,0,0,0,0|1,0,2]=4 1680 B12R0.5 C=CCCCCCCOCC=CC 34a_200011216477_100000070051 [0,1,0,0,0,0|1,0,1]=3 1681 B12R0.5 C=CCCCCCCOCC=CC 7a_200011216477_100000070051 [0,1,0,0,0,0|1,0,1]=3 1682 B12R0.5 C=CCCCCCCOCCC#N 7a_200011216477_100000184422 [0,1,0,0,0,0|1,0,1]=3 1683 B12R0.5 C=CCCCCCCOCCC=C 34a_100011205117_100011215473 [0,1,0,0,0,0|1,0,0]=2 1684 B12R0.5 C=CCCCCCCOCCC=C 34a_200011216477_100000754431 [0,1,0,0,0,0|1,0,0]=2 1685 B12R0.5 C=CCCCCCCOCCC=C 7a_200011216477_100000754431 [0,1,0,0,0,0|1,0,0]=2 1686 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,1,0,0,0,0|1,0,1]=3 1687 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,1,0,0,0,0|1,0,1]=3 1688 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,1,0,0,0,0|1,0,1]=3 1689 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,1,0,0,0,0|1,0,1]=3 1690 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,1,0,0,0,0|1,0,1]=3 1691 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,1,0,0,0,0|1,0,1]=3 1692 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,1,0,0,0,0|1,0,1]=3 1693 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,1,0,0,0,0|1,0,1]=3 1694 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,1,0,0,0,0|1,0,1]=3 1695 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,1,0,0,0,0|1,0,1]=3 1696 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,1,0,0,0,0|0,0,2]=3 1697 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,1,0,0,0,0|0,0,2]=3 1698 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,1,0,0,0,0|2,0,0]=3 1699 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,1,0,0,0,0|2,0,0]=3 1700 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,1,0,0,0,0|2,0,0]=3 1701 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [0,1,0,0,0,0|2,0,0]=3 1702 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,1,0,0,0,0|2,0,0]=3 1703 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,1,0,0,0,0|2,0,0]=3 1704 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,1,0,0,0,0|2,0,0]=3 1705 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,1,0,0,0,0|2,0,0]=3 1706 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100011215473_100102629194 [0,1,0,0,0,0|1,0,1]=3 1707 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100102629194_100011215473 [0,1,0,0,0,0|1,0,1]=3 1708 B12R0.5 C=CCCCCCCSCC#CC 62a_100000748600_100011215473 [0,1,0,0,0,0|1,0,2]=4 1709 B12R0.5 C=CCCCCCCSCC#CC 62a_100011215473_100000748600 [0,1,0,0,0,0|1,0,2]=4 1710 B12R0.5 C=CCCCCCCSCC=CC 62a_100000070051_100011215473 [0,1,0,0,0,0|1,0,1]=3 1711 B12R0.5 C=CCCCCCCSCC=CC 62a_100011215473_100000070051 [0,1,0,0,0,0|1,0,1]=3 1712 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215226_100011215473 [0,1,0,0,0,0|1,0,1]=3 1713 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215473_100011215226 [0,1,0,0,0,0|1,0,1]=3 1714 B12R0.5 C=CCCCCCCSCCC=C 62a_100000754431_100011215473 [0,1,0,0,0,0|1,0,0]=2 1715 B12R0.5 C=CCCCCCCSCCC=C 62a_100011215473_100000754431 [0,1,0,0,0,0|1,0,0]=2 1716 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,1,0,0,0,0|1,0,1]=3 1717 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,1,0,0,0,0|1,0,1]=3 1718 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,1,0,0,0,0|1,0,1]=3 1719 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,1,0,0,0,0|1,0,1]=3 1720 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,1,0,0,0,0|0,0,2]=3 1721 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,1,0,0,0,0|0,0,2]=3 1722 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,1,0,0,0,0|2,0,0]=3 1723 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,1,0,0,0,0|2,0,0]=3 1724 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,1,0,0,0,0|2,0,0]=3 1725 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,1,0,0,0,0|2,0,0]=3 1726 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,1,0,0,0,0|2,0,1]=4 1727 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,1,0,0,0,0|2,0,1]=4 1728 B12R0.5 C=CCCCCCCSCSC#N 62a_100000211825_100011215473 [0,1,0,0,0,0|2,0,1]=4 1729 B12R0.5 C=CCCCCCCSCSC#N 62a_100011215473_100000211825 [0,1,0,0,0,0|2,0,1]=4 1730 B12R0.5 C=CCCCCCNCCCC=C 2230a_100000700776_100000700193 [0,1,0,0,0,0|1,0,0]=2 1731 B12R0.5 C=CCCCCCNCCCC=C 34a_100000700776_100000700193 [0,1,0,0,0,0|1,0,0]=2 1732 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,1,0,0,0,0|1,0,1]=3 1733 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,1,0,0,0,0|0,0,2]=3 1734 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,1,0,0,0,0|0,0,2]=3 1735 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,1,0,0,0,0|2,0,0]=3 1736 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,1,0,0,0,0|2,0,0]=3 1737 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,1,0,0,0,0|2,0,1]=4 1738 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,1,0,0,0,0|2,0,1]=4 1739 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,1,0,0,0,0|2,0,1]=4 1740 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,1,0,0,0,0|2,0,1]=4 1741 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,1,0,0,0,0|2,0,1]=4 1742 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,1,0,0,0,0|2,0,1]=4 1743 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [0,1,0,0,0,0|1,0,1]=3 1744 B12R0.5 C=CCCCCCOCCC#CC 34a_100000750427_100000700193 [0,1,0,0,0,0|1,0,2]=4 1745 B12R0.5 C=CCCCCCOCCCC#N 7a_100011216702_100000687738 [0,1,0,0,0,0|1,0,1]=3 1746 B12R0.5 C=CCCCCCOCCCC=C 34a_100000758997_100000700193 [0,1,0,0,0,0|1,0,0]=2 1747 B12R0.5 C=CCCCCCOCCCC=C 34a_100011216702_100000757094 [0,1,0,0,0,0|1,0,0]=2 1748 B12R0.5 C=CCCCCCOCCCC=C 7a_100000758997_100000700193 [0,1,0,0,0,0|1,0,0]=2 1749 B12R0.5 C=CCCCCCOCCCC=C 7a_100011216702_100000757094 [0,1,0,0,0,0|1,0,0]=2 1750 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [0,1,0,0,0,0|0,0,0]=1 1751 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,1,0,0,0,0|1,0,1]=3 1752 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,1,0,0,0,0|1,0,1]=3 1753 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,1,0,0,0,0|1,0,1]=3 1754 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,1,0,0,0,0|1,0,1]=3 1755 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,1,0,0,0,0|1,0,1]=3 1756 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,1,0,0,0,0|1,0,1]=3 1757 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,1,0,0,0,0|1,0,1]=3 1758 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,1,0,0,0,0|1,0,1]=3 1759 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,1,0,0,0,0|1,0,1]=3 1760 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,1,0,0,0,0|1,0,1]=3 1761 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,1,0,0,0,0|1,0,1]=3 1762 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,1,0,0,0,0|1,0,1]=3 1763 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,1,0,0,0,0|1,0,1]=3 1764 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,1,0,0,0,0|0,0,2]=3 1765 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,1,0,0,0,0|0,0,2]=3 1766 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,1,0,0,0,0|2,0,0]=3 1767 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,1,0,0,0,0|2,0,0]=3 1768 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,1,0,0,0,0|2,0,0]=3 1769 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,1,0,0,0,0|2,0,0]=3 1770 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,1,0,0,0,0|2,0,0]=3 1771 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,1,0,0,0,0|2,0,0]=3 1772 B12R0.5 C=CCCCCCOCCOC=C 34a_100000033082_100000700193 [0,1,0,0,0,0|2,0,0]=3 1773 B12R0.5 C=CCCCCCOCCOC=C 34a_100011216702_100000039644 [0,1,0,0,0,0|2,0,0]=3 1774 B12R0.5 C=CCCCCCOCCOC=C 7a_100011216702_100000039644 [0,1,0,0,0,0|2,0,0]=3 1775 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,1,0,0,0,0|2,0,1]=4 1776 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,1,0,0,0,0|2,0,1]=4 1777 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,1,0,0,0,0|2,0,1]=4 1778 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,1,0,0,0,0|2,0,1]=4 1779 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,1,0,0,0,0|2,0,1]=4 1780 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,1,0,0,0,0|2,0,1]=4 1781 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,1,0,0,0,0|2,0,1]=4 1782 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,1,0,0,0,0|2,0,1]=4 1783 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [0,1,0,0,0,0|2,0,1]=4 1784 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [0,1,0,0,0,0|2,0,1]=4 1785 B12R0.5 C=CCCCCCSCCCC#N 62a_100000687738_100000700193 [0,1,0,0,0,0|1,0,1]=3 1786 B12R0.5 C=CCCCCCSCCCC#N 62a_100000700193_100000687738 [0,1,0,0,0,0|1,0,1]=3 1787 B12R0.5 C=CCCCCCSCCCC=C 62a_100000700193_100000757094 [0,1,0,0,0,0|1,0,0]=2 1788 B12R0.5 C=CCCCCCSCCCC=C 62a_100011713584_100000700193 [0,1,0,0,0,0|1,0,0]=2 1789 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [0,1,0,0,0,0|0,0,0]=1 1790 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [0,1,0,0,0,0|0,0,0]=1 1791 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,1,0,0,0,0|1,0,1]=3 1792 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,1,0,0,0,0|1,0,1]=3 1793 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,1,0,0,0,0|1,0,1]=3 1794 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,1,0,0,0,0|1,0,1]=3 1795 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,1,0,0,0,0|0,0,2]=3 1796 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,1,0,0,0,0|0,0,2]=3 1797 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,1,0,0,0,0|2,0,0]=3 1798 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,1,0,0,0,0|2,0,0]=3 1799 B12R0.5 C=CCCCCCSCCOC=C 62a_100000039644_100000700193 [0,1,0,0,0,0|2,0,0]=3 1800 B12R0.5 C=CCCCCCSCCOC=C 62a_100000700193_100000039644 [0,1,0,0,0,0|2,0,0]=3 1801 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,1,0,0,0,0|2,0,1]=4 1802 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,1,0,0,0,0|2,0,1]=4 1803 B12R0.5 C=CCCCCCSCCSC#N 62a_100000034367_100000700193 [0,1,0,0,0,0|2,0,1]=4 1804 B12R0.5 C=CCCCCCSCCSC#N 62a_100000700193_100000034367 [0,1,0,0,0,0|2,0,1]=4 1805 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,1,0,0,0,0|2,0,1]=4 1806 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,1,0,0,0,0|2,0,1]=4 1807 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [0,1,0,0,0,0|2,0,1]=4 1808 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [0,1,0,0,0,0|2,0,1]=4 1809 B12R0.5 C=CCCCCNCCCCC#N 2230a_100000703577_100000211819 [0,1,0,0,0,0|1,0,1]=3 1810 B12R0.5 C=CCCCCNCCCCC=C 2230a_100000703577_100011215482 [0,1,0,0,0,0|1,0,0]=2 1811 B12R0.5 C=CCCCCNCCCCC=C 34a_100000703577_100011215482 [0,1,0,0,0,0|1,0,0]=2 1812 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [0,1,0,0,0,0|0,0,0]=1 1813 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,1,0,0,0,0|1,0,1]=3 1814 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,1,0,0,0,0|1,0,1]=3 1815 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,1,0,0,0,0|1,0,1]=3 1816 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,1,0,0,0,0|1,0,1]=3 1817 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,1,0,0,0,0|1,0,1]=3 1818 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,1,0,0,0,0|0,0,2]=3 1819 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,1,0,0,0,0|0,0,2]=3 1820 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,1,0,0,0,0|0,0,2]=3 1821 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,1,0,0,0,0|0,0,2]=3 1822 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,1,0,0,0,0|2,0,0]=3 1823 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,1,0,0,0,0|2,0,0]=3 1824 B12R0.5 C=CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100011215482 [0,1,0,0,0,0|3,0,0]=4 1825 B12R0.5 C=CCCCCNCCCOC=C 2230a_100000210767_100011215482 [0,1,0,0,0,0|2,0,0]=3 1826 B12R0.5 C=CCCCCNCCCOC=C 34a_100000210767_100011215482 [0,1,0,0,0,0|2,0,0]=3 1827 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,1,0,0,0,0|2,0,1]=4 1828 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,1,0,0,0,0|2,0,1]=4 1829 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,1,0,0,0,0|2,0,1]=4 1830 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,1,0,0,0,0|2,0,1]=4 1831 B12R0.5 C=CCCCCNCCOCC#N 2230a_100000703577_200000047693 [0,1,0,0,0,0|2,0,1]=4 1832 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,1,0,0,0,0|2,0,1]=4 1833 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,1,0,0,0,0|2,0,1]=4 1834 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,1,0,0,0,0|2,0,1]=4 1835 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,1,0,0,0,0|2,0,1]=4 1836 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [0,1,0,0,0,0|1,0,2]=4 1837 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [0,1,0,0,0,0|1,0,2]=4 1838 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [0,1,0,0,0,0|1,0,2]=4 1839 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [0,1,0,0,0,0|1,0,2]=4 1840 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,1,0,0,0,0|2,0,1]=4 1841 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [0,1,0,0,0,0|1,0,2]=4 1842 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,1,0,0,0,0|2,0,1]=4 1843 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,1,0,0,0,0|2,0,1]=4 1844 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [0,1,0,0,0,0|3,0,0]=4 1845 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,1,0,0,0,0|2,0,1]=4 1846 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,1,0,0,0,0|2,0,1]=4 1847 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,1,0,0,0,0|2,0,1]=4 1848 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,1,0,0,0,0|2,0,1]=4 1849 B12R0.5 C=CCCCCOCCC=C=CC 34a_100011020354_100011215482 [0,1,0,0,0,0|1,0,2]=4 1850 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [0,1,0,0,0,0|1,0,1]=3 1851 B12R0.5 C=CCCCCOCCCCC#N 7a_100000766645_100000211819 [0,1,0,0,0,0|1,0,1]=3 1852 B12R0.5 C=CCCCCOCCCCC=C 34a_100000766645_100011215482 [0,1,0,0,0,0|1,0,0]=2 1853 B12R0.5 C=CCCCCOCCCCC=C 7a_100000766645_100011215482 [0,1,0,0,0,0|1,0,0]=2 1854 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [0,1,0,0,0,0|0,0,0]=1 1855 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,1,0,0,0,0|1,0,1]=3 1856 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,1,0,0,0,0|1,0,1]=3 1857 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,1,0,0,0,0|1,0,1]=3 1858 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,1,0,0,0,0|1,0,1]=3 1859 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,1,0,0,0,0|1,0,1]=3 1860 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,1,0,0,0,0|1,0,1]=3 1861 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,1,0,0,0,0|1,0,1]=3 1862 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,1,0,0,0,0|1,0,1]=3 1863 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,1,0,0,0,0|1,0,1]=3 1864 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,1,0,0,0,0|1,0,1]=3 1865 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,1,0,0,0,0|1,0,1]=3 1866 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,1,0,0,0,0|1,0,1]=3 1867 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,1,0,0,0,0|1,0,1]=3 1868 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,1,0,0,0,0|0,0,2]=3 1869 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,1,0,0,0,0|0,0,2]=3 1870 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,1,0,0,0,0|2,0,0]=3 1871 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,1,0,0,0,0|2,0,0]=3 1872 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,1,0,0,0,0|2,0,0]=3 1873 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,1,0,0,0,0|2,0,0]=3 1874 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,1,0,0,0,0|2,0,0]=3 1875 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,1,0,0,0,0|2,0,1]=4 1876 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,1,0,0,0,0|2,0,1]=4 1877 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,1,0,0,0,0|2,0,1]=4 1878 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,1,0,0,0,0|2,0,1]=4 1879 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,1,0,0,0,0|2,0,1]=4 1880 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,1,0,0,0,0|2,0,1]=4 1881 B12R0.5 C=CCCCCOCCOCC#N 7a_100000766645_200000047693 [0,1,0,0,0,0|2,0,1]=4 1882 B12R0.5 C=CCCCCOCCOCC=C 34a_100000037705_100011215482 [0,1,0,0,0,0|2,0,0]=3 1883 B12R0.5 C=CCCCCOCCOCC=C 7a_100000037705_100011215482 [0,1,0,0,0,0|2,0,0]=3 1884 B12R0.5 C=CCCCCOCCOCCBr 34a_100000692535_100011215482 [0,1,0,0,0,0|2,0,1]=4 1885 B12R0.5 C=CCCCCOCCOCCBr 7a_100000692535_100011215482 [0,1,0,0,0,0|2,0,1]=4 1886 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,1,0,0,0,0|2,0,1]=4 1887 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,1,0,0,0,0|2,0,1]=4 1888 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,1,0,0,0,0|2,0,1]=4 1889 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,1,0,0,0,0|2,0,1]=4 1890 B12R0.5 C=CCCCCOCCOCCCl 34a_100011215305_100011215482 [0,1,0,0,0,0|2,0,1]=4 1891 B12R0.5 C=CCCCCOCCOCCCl 7a_100011215305_100011215482 [0,1,0,0,0,0|2,0,1]=4 1892 B12R0.5 C=CCCCCOCCOCCF 34a_200015357709_100011215482 [0,1,0,0,0,0|2,0,1]=4 1893 B12R0.5 C=CCCCCOCCOCCF 7a_200015357709_100011215482 [0,1,0,0,0,0|2,0,1]=4 1894 B12R0.5 C=CCCCCOCCOCCI 34a_100012149058_100011215482 [0,1,0,0,0,0|2,0,1]=4 1895 B12R0.5 C=CCCCCOCCOCCI 7a_100012149058_100011215482 [0,1,0,0,0,0|2,0,1]=4 1896 B12R0.5 C=CCCCCOCCOCCN 34a_100000211614_100011215482 [0,1,0,0,0,0|2,0,1]=4 1897 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,1,0,0,0,0|1,0,2]=4 1898 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,1,0,0,0,0|1,0,2]=4 1899 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,1,0,0,0,0|2,0,1]=4 1900 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,1,0,0,0,0|2,0,1]=4 1901 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,1,0,0,0,0|2,0,1]=4 1902 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [0,1,0,0,0,0|2,0,1]=4 1903 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [0,1,0,0,0,0|2,0,1]=4 1904 B12R0.5 C=CCCCCSCCCCC#N 62a_100011215482_100000211819 [0,1,0,0,0,0|1,0,1]=3 1905 B12R0.5 C=CCCCCSCCCCC#N 62a_100011219923_100011215482 [0,1,0,0,0,0|1,0,1]=3 1906 B12R0.5 C=CCCCCSCCCCC=C 62a_100011215482_100011215482 [0,1,0,0,0,0|1,0,0]=2 1907 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [0,1,0,0,0,0|0,0,0]=1 1908 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [0,1,0,0,0,0|0,0,0]=1 1909 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,1,0,0,0,0|1,0,1]=3 1910 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,1,0,0,0,0|1,0,1]=3 1911 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,1,0,0,0,0|1,0,1]=3 1912 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,1,0,0,0,0|1,0,1]=3 1913 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,1,0,0,0,0|0,0,2]=3 1914 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,1,0,0,0,0|0,0,2]=3 1915 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,1,0,0,0,0|2,0,0]=3 1916 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,1,0,0,0,0|2,0,0]=3 1917 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,1,0,0,0,0|2,0,1]=4 1918 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,1,0,0,0,0|2,0,1]=4 1919 B12R0.5 C=CCCCCSCCOCC#N 62a_100011215482_200000047693 [0,1,0,0,0,0|2,0,1]=4 1920 B12R0.5 C=CCCCCSCCOCC#N 62a_200000047693_100011215482 [0,1,0,0,0,0|2,0,1]=4 1921 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,1,0,0,0,0|2,0,1]=4 1922 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,1,0,0,0,0|2,0,1]=4 1923 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [0,1,0,0,0,0|1,0,2]=4 1924 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [0,1,0,0,0,0|1,0,2]=4 1925 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,1,0,0,0,0|2,0,1]=4 1926 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,1,0,0,0,0|2,0,1]=4 1927 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [0,1,0,0,0,0|3,0,0]=4 1928 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [0,1,0,0,0,0|3,0,0]=4 1929 B12R0.5 C=CCCCNCCCCCC#N 2230a_100000700776_100009813376 [0,1,0,0,0,0|1,0,1]=3 1930 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [0,1,0,0,0,0|0,0,0]=1 1931 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,1,0,0,0,0|1,0,1]=3 1932 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,1,0,0,0,0|1,0,1]=3 1933 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,1,0,0,0,0|1,0,1]=3 1934 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,1,0,0,0,0|1,0,1]=3 1935 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,1,0,0,0,0|1,0,1]=3 1936 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,1,0,0,0,0|0,0,2]=3 1937 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,1,0,0,0,0|0,0,2]=3 1938 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,1,0,0,0,0|0,0,2]=3 1939 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,1,0,0,0,0|0,0,2]=3 1940 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,1,0,0,0,0|2,0,0]=3 1941 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,1,0,0,0,0|2,0,0]=3 1942 B12R0.5 C=CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100011713584 [0,1,0,0,0,0|3,0,0]=4 1943 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,1,0,0,0,0|2,0,1]=4 1944 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,1,0,0,0,0|2,0,1]=4 1945 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,1,0,0,0,0|2,0,1]=4 1946 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,1,0,0,0,0|2,0,1]=4 1947 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [0,1,0,0,0,0|3,0,0]=4 1948 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [0,1,0,0,0,0|3,0,0]=4 1949 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [0,1,0,0,0,0|3,0,0]=4 1950 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [0,1,0,0,0,0|3,0,0]=4 1951 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,1,0,0,0,0|2,0,1]=4 1952 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,1,0,0,0,0|2,0,1]=4 1953 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,1,0,0,0,0|2,0,1]=4 1954 B12R0.5 C=CCCCOCCCCCC#N 7a_100000758997_100009813376 [0,1,0,0,0,0|1,0,1]=3 1955 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [0,1,0,0,0,0|0,0,0]=1 1956 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,1,0,0,0,0|1,0,1]=3 1957 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,1,0,0,0,0|1,0,1]=3 1958 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,1,0,0,0,0|1,0,1]=3 1959 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,1,0,0,0,0|1,0,1]=3 1960 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,1,0,0,0,0|1,0,1]=3 1961 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,1,0,0,0,0|1,0,1]=3 1962 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,1,0,0,0,0|1,0,1]=3 1963 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,1,0,0,0,0|1,0,1]=3 1964 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,1,0,0,0,0|1,0,1]=3 1965 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,1,0,0,0,0|1,0,1]=3 1966 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,1,0,0,0,0|1,0,1]=3 1967 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,1,0,0,0,0|1,0,1]=3 1968 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,1,0,0,0,0|1,0,1]=3 1969 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,1,0,0,0,0|0,0,2]=3 1970 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,1,0,0,0,0|0,0,2]=3 1971 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,1,0,0,0,0|2,0,0]=3 1972 B12R0.5 C=CCCCOCCCCOC=C 34a_100000031558_100000757094 [0,1,0,0,0,0|2,0,0]=3 1973 B12R0.5 C=CCCCOCCCCOC=C 7a_100000031558_100000757094 [0,1,0,0,0,0|2,0,0]=3 1974 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,1,0,0,0,0|2,0,1]=4 1975 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,1,0,0,0,0|2,0,1]=4 1976 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,1,0,0,0,0|2,0,1]=4 1977 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,1,0,0,0,0|2,0,1]=4 1978 B12R0.5 C=CCCCOCCOCCNC 34a_100000228057_100000757094 [0,1,0,0,0,0|3,0,0]=4 1979 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [0,1,0,0,0,0|3,0,0]=4 1980 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [0,1,0,0,0,0|3,0,0]=4 1981 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [0,1,0,0,0,0|3,0,0]=4 1982 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [0,1,0,0,0,0|3,0,0]=4 1983 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,1,0,0,0,0|2,0,1]=4 1984 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,1,0,0,0,0|2,0,1]=4 1985 B12R0.5 C=CCCCSCCCCCC#N 62a_100009813376_100000757094 [0,1,0,0,0,0|1,0,1]=3 1986 B12R0.5 C=CCCCSCCCCCC#N 62a_100011713584_100009813376 [0,1,0,0,0,0|1,0,1]=3 1987 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [0,1,0,0,0,0|0,0,0]=1 1988 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [0,1,0,0,0,0|0,0,0]=1 1989 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,1,0,0,0,0|1,0,1]=3 1990 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,1,0,0,0,0|1,0,1]=3 1991 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,1,0,0,0,0|1,0,1]=3 1992 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,1,0,0,0,0|1,0,1]=3 1993 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,1,0,0,0,0|0,0,2]=3 1994 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,1,0,0,0,0|0,0,2]=3 1995 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,1,0,0,0,0|2,0,1]=4 1996 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,1,0,0,0,0|2,0,1]=4 1997 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [0,1,0,0,0,0|3,0,0]=4 1998 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [0,1,0,0,0,0|3,0,0]=4 1999 B12R0.5 C=CCCNCCCCCCC#N 2230a_100015191253_100009813337 [0,1,0,0,0,0|1,0,1]=3 2000 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,1,0,0,0,0|1,0,1]=3 2001 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,1,0,0,0,0|1,0,1]=3 2002 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,1,0,0,0,0|1,0,1]=3 2003 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,1,0,0,0,0|0,0,2]=3 2004 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,1,0,0,0,0|0,0,2]=3 2005 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,1,0,0,0,0|0,0,2]=3 2006 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,1,0,0,0,0|2,0,0]=3 2007 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,1,0,0,0,0|2,0,1]=4 2008 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,1,0,0,0,0|2,0,1]=4 2009 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,1,0,0,0,0|1,0,2]=4 2010 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,1,0,0,0,0|1,0,2]=4 2011 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [0,1,0,0,0,0|3,0,0]=4 2012 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [0,1,0,0,0,0|3,0,0]=4 2013 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [0,1,0,0,0,0|3,0,0]=4 2014 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [0,1,0,0,0,0|2,0,1]=4 2015 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [0,1,0,0,0,0|2,0,1]=4 2016 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,1,0,0,0,0|1,0,1]=3 2017 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,1,0,0,0,0|1,0,1]=3 2018 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,1,0,0,0,0|1,0,1]=3 2019 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,1,0,0,0,0|1,0,1]=3 2020 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,1,0,0,0,0|1,0,1]=3 2021 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,1,0,0,0,0|1,0,1]=3 2022 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,1,0,0,0,0|0,0,2]=3 2023 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,1,0,0,0,0|2,0,0]=3 2024 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,1,0,0,0,0|2,0,0]=3 2025 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,1,0,0,0,0|2,0,0]=3 2026 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,1,0,0,0,0|2,0,1]=4 2027 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,1,0,0,0,0|2,0,1]=4 2028 B12R0.5 C=CCCOCCCOCCCN 34a_100011310245_100000754431 [0,1,0,0,0,0|2,0,1]=4 2029 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [0,1,0,0,0,0|3,0,0]=4 2030 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,1,0,0,0,0|2,0,1]=4 2031 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,1,0,0,0,0|2,0,1]=4 2032 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,1,0,0,0,0|2,0,1]=4 2033 B12R0.5 C=CCCOCCOCCOC=C 34a_100000039918_100000754431 [0,1,0,0,0,0|3,0,0]=4 2034 B12R0.5 C=CCCOCCOCCOC=C 7a_100000039918_100000754431 [0,1,0,0,0,0|3,0,0]=4 2035 B12R0.5 C=CCCSCCCCCCC#N 62a_100000754431_100009813337 [0,1,0,0,0,0|1,0,1]=3 2036 B12R0.5 C=CCCSCCCCCCC#N 62a_100009813337_100000754431 [0,1,0,0,0,0|1,0,1]=3 2037 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,1,0,0,0,0|1,0,1]=3 2038 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,1,0,0,0,0|1,0,1]=3 2039 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,1,0,0,0,0|0,0,2]=3 2040 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,1,0,0,0,0|0,0,2]=3 2041 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,1,0,0,0,0|2,0,0]=3 2042 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,1,0,0,0,0|2,0,0]=3 2043 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [0,1,0,0,0,0|3,0,0]=4 2044 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [0,1,0,0,0,0|3,0,0]=4 2045 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,1,0,0,0,0|1,0,1]=3 2046 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,1,0,0,0,0|1,0,1]=3 2047 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,1,0,0,0,0|1,0,1]=3 2048 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,1,0,0,0,0|0,0,2]=3 2049 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,1,0,0,0,0|0,0,2]=3 2050 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,1,0,0,0,0|0,0,2]=3 2051 B12R0.5 C=CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210623 [0,1,0,0,0,0|3,0,0]=4 2052 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [0,1,0,0,0,0|2,0,1]=4 2053 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [0,1,0,0,0,0|2,0,1]=4 2054 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,1,0,0,0,0|1,0,1]=3 2055 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,1,0,0,0,0|1,0,1]=3 2056 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,1,0,0,0,0|1,0,1]=3 2057 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,1,0,0,0,0|1,0,1]=3 2058 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,1,0,0,0,0|1,0,1]=3 2059 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,1,0,0,0,0|1,0,1]=3 2060 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,1,0,0,0,0|1,0,1]=3 2061 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,1,0,0,0,0|1,0,1]=3 2062 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,1,0,0,0,0|0,0,2]=3 2063 B12R0.5 C=CCOCCCCCNCCN 34a_103619048469_100015514636 [0,1,0,0,0,0|2,0,1]=4 2064 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,1,0,0,0,0|2,0,1]=4 2065 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,1,0,0,0,0|2,0,1]=4 2066 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,1,0,0,0,0|2,0,1]=4 2067 B12R0.5 C=CCOCCCOCCCOC 34a_200011215475_100015514636 [0,1,0,0,0,0|3,0,0]=4 2068 B12R0.5 C=CCOCCCOCCCOC 7a_200011215475_100015514636 [0,1,0,0,0,0|3,0,0]=4 2069 B12R0.5 C=CCOCCOCCCCC#N 7a_100000037705_100000211819 [0,1,0,0,0,0|2,0,1]=4 2070 B12R0.5 C=CCOCCOCCCCC=O 7a_100000037705_100000139335 [0,1,0,0,0,0|1,0,0]=2 2071 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,1,0,0,0,0|2,0,1]=4 2072 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,1,0,0,0,0|2,0,1]=4 2073 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,1,0,0,0,0|2,0,1]=4 2074 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,1,0,0,0,0|2,0,1]=4 2075 B12R0.5 C=CCOCCOCCCCCF 34a_100000037705_100000729378 [0,1,0,0,0,0|2,0,1]=4 2076 B12R0.5 C=CCOCCOCCCCCF 7a_100000037705_100000729378 [0,1,0,0,0,0|2,0,1]=4 2077 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,1,0,0,0,0|1,0,2]=4 2078 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,1,0,0,0,0|1,0,2]=4 2079 B12R0.5 C=CCOCCOCCCCOC 34a_100000037705_100000755781 [0,1,0,0,0,0|3,0,0]=4 2080 B12R0.5 C=CCOCCOCCCCOC 7a_100000037705_100000730899 [0,1,0,0,0,0|3,0,0]=4 2081 B12R0.5 C=CCOCCOCCOCC=C 34a_100000065479_100015514636 [0,1,0,0,0,0|3,0,0]=4 2082 B12R0.5 C=CCOCCOCCOCC=C 7a_100000065479_100015514636 [0,1,0,0,0,0|3,0,0]=4 2083 B12R0.5 C=CCOCCOCCOCC=O 34a_100000065479_200009817547 [0,1,0,0,0,0|2,0,0]=3 2084 B12R0.5 C=CCOCCOCCOCC=O 7a_100000065479_200015260668 [0,1,0,0,0,0|2,0,0]=3 2085 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,1,0,0,0,0|1,0,1]=3 2086 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,1,0,0,0,0|0,0,2]=3 2087 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,1,0,0,0,0|0,0,2]=3 2088 B12R0.5 C=COCCCCOCCCC#N 7a_100000031558_100000687738 [0,1,0,0,0,0|2,0,1]=4 2089 B12R0.5 C=COCCCCOCCCC=O 7a_100000031558_200011292268 [0,1,0,0,0,0|1,0,0]=2 2090 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,1,0,0,0,0|2,0,1]=4 2091 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,1,0,0,0,0|2,0,1]=4 2092 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,1,0,0,0,0|2,0,1]=4 2093 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,1,0,0,0,0|2,0,1]=4 2094 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,1,0,0,0,0|1,0,2]=4 2095 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,1,0,0,0,0|1,0,2]=4 2096 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,1,0,0,0,0|3,0,0]=4 2097 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,1,0,0,0,0|3,0,0]=4 2098 B12R0.5 C=COCCCCOCCOC=C 34a_100000031558_100000039644 [0,1,0,0,0,0|3,0,0]=4 2099 B12R0.5 C=COCCCCOCCOC=C 7a_100000031558_100000039644 [0,1,0,0,0,0|3,0,0]=4 2100 B12R0.5 C=COCCCNCCCCC#N 2230a_100000210767_100000211819 [0,1,0,0,0,0|2,0,1]=4 2101 B12R0.5 C=COCCCNCCCCC=O 2230a_100000210767_100000139335 [0,1,0,0,0,0|1,0,0]=2 2102 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,1,0,0,0,0|2,0,1]=4 2103 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,1,0,0,0,0|2,0,1]=4 2104 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [0,1,0,0,0,0|2,0,1]=4 2105 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [0,1,0,0,0,0|2,0,1]=4 2106 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,1,0,0,0,0|1,0,2]=4 2107 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,1,0,0,0,0|1,0,2]=4 2108 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [0,1,0,0,0,0|3,0,0]=4 2109 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [0,1,0,0,0,0|3,0,0]=4 2110 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,1,0,0,0,0|2,0,1]=4 2111 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,1,0,0,0,0|1,0,2]=4 2112 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,1,0,0,0,0|1,0,2]=4 2113 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,1,0,0,0,0|3,0,0]=4 2114 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,1,0,0,0,0|3,0,0]=4 2115 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [0,1,0,0,0,0|2,0,1]=4 2116 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [0,1,0,0,0,0|2,0,1]=4 2117 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,1,0,0,0,0|2,0,1]=4 2118 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,1,0,0,0,0|2,0,1]=4 2119 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,1,0,0,0,0|2,0,1]=4 2120 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [0,1,0,0,0,0|2,0,1]=4 2121 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [0,1,0,0,0,0|2,0,1]=4 2122 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [0,1,0,0,0,0|2,0,1]=4 2123 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [0,1,0,0,0,0|2,0,1]=4 2124 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [0,1,0,0,0,0|2,0,1]=4 2125 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [0,1,0,0,0,0|2,0,1]=4 2126 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,1,0,0,0,0|1,0,2]=4 2127 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,1,0,0,0,0|3,0,0]=4 2128 B12R0.5 C=COCCSCCCCCC#N 62a_100000039644_100009813376 [0,1,0,0,0,0|2,0,1]=4 2129 B12R0.5 C=COCCSCCCCCC#N 62a_100009813376_100000039644 [0,1,0,0,0,0|2,0,1]=4 2130 B12R0.5 C=COCCSCCCCCC=O 62a_100000039644_100000139337 [0,1,0,0,0,0|1,0,0]=2 2131 B12R0.5 C=COCCSCCCCCC=O 62a_100000139337_100000039644 [0,1,0,0,0,0|1,0,0]=2 2132 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,1,0,0,0,0|2,0,1]=4 2133 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,1,0,0,0,0|2,0,1]=4 2134 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [0,1,0,0,0,0|2,0,1]=4 2135 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [0,1,0,0,0,0|2,0,1]=4 2136 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,1,0,0,0,0|1,0,2]=4 2137 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,1,0,0,0,0|1,0,2]=4 2138 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,1,0,0,0,0|1,0,2]=4 2139 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [0,1,0,0,0,0|1,0,2]=4 2140 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [0,1,0,0,0,0|1,0,2]=4 2141 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,1,0,0,0,0|1,0,2]=4 2142 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [0,1,0,0,0,0|1,0,2]=4 2143 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [0,1,0,0,0,0|1,0,2]=4 2144 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [0,1,0,0,0,0|1,0,2]=4 2145 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [0,1,0,0,0,0|1,0,2]=4 2146 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,1,0,0,0,0|2,0,1]=4 2147 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,1,0,0,0,0|2,0,1]=4 2148 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,1,0,0,0,0|1,0,2]=4 2149 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,1,0,0,0,0|3,0,0]=4 2150 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,1,0,0,0,0|2,0,1]=4 2151 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,1,0,0,0,0|2,0,1]=4 2152 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,1,0,0,0,0|1,0,2]=4 2153 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,1,0,0,0,0|1,0,2]=4 2154 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,1,0,0,0,0|2,0,1]=4 2155 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,1,0,0,0,0|2,0,1]=4 2156 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,1,0,0,0,0|2,0,1]=4 2157 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,1,0,0,0,0|2,0,1]=4 2158 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,1,0,0,0,0|2,0,1]=4 2159 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,1,0,0,0,0|3,0,0]=4 2160 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,1,0,0,0,0|3,0,0]=4 2161 B12R0.5 CC=CCSCCCCCCC#N 62a_100000070051_100009813337 [0,1,0,0,0,0|2,0,1]=4 2162 B12R0.5 CC=CCSCCCCCCC#N 62a_100009813337_100000070051 [0,1,0,0,0,0|2,0,1]=4 2163 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,1,0,0,0,0|2,0,1]=4 2164 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,1,0,0,0,0|2,0,1]=4 2165 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,1,0,0,0,0|1,0,2]=4 2166 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,1,0,0,0,0|1,0,2]=4 2167 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,1,0,0,0,0|3,0,0]=4 2168 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,1,0,0,0,0|3,0,0]=4 2169 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,1,0,0,0,0|0,0,2]=3 2170 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,1,0,0,0,0|0,0,2]=3 2171 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,1,0,0,0,0|0,0,2]=3 2172 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,1,0,0,0,0|0,0,2]=3 2173 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,1,0,0,0,0|0,0,2]=3 2174 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,1,0,0,0,0|0,0,2]=3 2175 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,1,0,0,0,0|0,0,2]=3 2176 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,1,0,0,0,0|0,0,2]=3 2177 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,1,0,0,0,0|0,0,2]=3 2178 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,1,0,0,0,0|0,0,2]=3 2179 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,1,0,0,0,0|0,0,2]=3 2180 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,1,0,0,0,0|1,0,2]=4 2181 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,1,0,0,0,0|1,0,2]=4 2182 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,1,0,0,0,0|0,0,2]=3 2183 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,1,0,0,0,0|0,0,2]=3 2184 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,1,0,0,0,0|0,0,2]=3 2185 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,1,0,0,0,0|0,0,2]=3 2186 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,1,0,0,0,0|0,0,2]=3 2187 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,1,0,0,0,0|0,0,2]=3 2188 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,1,0,0,0,0|1,0,2]=4 2189 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,1,0,0,0,0|1,0,2]=4 2190 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,1,0,0,0,0|1,0,2]=4 2191 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,1,0,0,0,0|1,0,2]=4 2192 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,1,0,0,0,0|1,0,2]=4 2193 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,1,0,0,0,0|1,0,2]=4 2194 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,1,0,0,0,0|1,0,2]=4 2195 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,1,0,0,0,0|1,0,2]=4 2196 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,1,0,0,0,0|1,0,2]=4 2197 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,1,0,0,0,0|1,0,2]=4 2198 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,1,0,0,0,0|1,0,2]=4 2199 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,1,0,0,0,0|1,0,2]=4 2200 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,1,0,0,0,0|1,0,2]=4 2201 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,1,0,0,0,0|1,0,2]=4 2202 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,1,0,0,0,0|1,0,2]=4 2203 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,1,0,0,0,0|1,0,2]=4 2204 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,1,0,0,0,0|1,0,2]=4 2205 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,1,0,0,0,0|1,0,2]=4 2206 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,1,0,0,0,0|1,0,2]=4 2207 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,1,0,0,0,0|1,0,2]=4 2208 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,1,0,0,0,0|1,0,2]=4 2209 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,1,0,0,0,0|1,0,2]=4 2210 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,1,0,0,0,0|1,0,2]=4 2211 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,1,0,0,0,0|1,0,2]=4 2212 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,1,0,0,0,0|1,0,2]=4 2213 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,1,0,0,0,0|1,0,2]=4 2214 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,1,0,0,0,0|1,0,2]=4 2215 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,1,0,0,0,0|1,0,2]=4 2216 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,1,0,0,0,0|1,0,2]=4 2217 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,1,0,0,0,0|1,0,2]=4 2218 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,1,0,0,0,0|1,0,1]=3 2219 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,1,0,0,0,0|1,0,1]=3 2220 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,1,0,0,0,0|1,0,1]=3 2221 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [0,1,0,0,0,0|2,0,1]=4 2222 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [0,1,0,0,0,0|2,0,1]=4 2223 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,1,0,0,0,0|1,0,1]=3 2224 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,1,0,0,0,0|1,0,1]=3 2225 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,1,0,0,0,0|2,0,1]=4 2226 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,1,0,0,0,0|2,0,1]=4 2227 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,1,0,0,0,0|2,0,1]=4 2228 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,1,0,0,0,0|2,0,1]=4 2229 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,1,0,0,0,0|2,0,1]=4 2230 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,1,0,0,0,0|2,0,1]=4 2231 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,1,0,0,0,0|1,0,1]=3 2232 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,1,0,0,0,0|1,0,1]=3 2233 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,1,0,0,0,0|1,0,1]=3 2234 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [0,1,0,0,0,0|1,0,1]=3 2235 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [0,1,0,0,0,0|1,0,1]=3 2236 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [0,1,0,0,0,0|1,0,1]=3 2237 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [0,1,0,0,0,0|1,0,1]=3 2238 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [0,1,0,0,0,0|1,0,1]=3 2239 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [0,1,0,0,0,0|1,0,1]=3 2240 B12R0.5 N#CCOCCSCCCCC=O 62a_100000139335_200000047693 [0,1,0,0,0,0|2,0,1]=4 2241 B12R0.5 N#CCOCCSCCCCC=O 62a_200000047693_100000139335 [0,1,0,0,0,0|2,0,1]=4 2242 B12R0.5 N#CSCCSCCCCCC=O 62a_100000034367_100000139337 [0,1,0,0,0,0|2,0,1]=4 2243 B12R0.5 N#CSCCSCCCCCC=O 62a_100000139337_100000034367 [0,1,0,0,0,0|2,0,1]=4 2244 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,1,0,0,0,0|1,0,1]=3 2245 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [0,1,0,0,0,0|2,0,1]=4 2246 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,1,0,0,0,0|1,0,1]=3 2247 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,1,0,0,0,0|1,0,1]=3 2248 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,1,0,0,0,0|1,0,1]=3 2249 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [0,1,0,0,0,0|1,0,0]=2 2250 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [0,1,0,0,0,0|1,0,0]=2 2251 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,1,0,0,0,0|1,0,1]=3 2252 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,1,0,0,0,0|1,0,1]=3 2253 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,1,0,0,0,0|1,0,1]=3 2254 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,1,0,0,0,0|1,0,1]=3 2255 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,1,0,0,0,0|1,0,1]=3 2256 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,1,0,0,0,0|2,0,1]=4 2257 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,1,0,0,0,0|2,0,1]=4 2258 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,1,0,0,0,0|1,0,1]=3 2259 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,1,0,0,0,0|1,0,1]=3 2260 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,1,0,0,0,0|1,0,1]=3 2261 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [0,1,0,0,0,0|2,0,1]=4 2262 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [0,1,0,0,0,0|2,0,1]=4 2263 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [0,1,0,0,0,0|2,0,1]=4 2264 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [0,1,0,0,0,0|2,0,1]=4 2265 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [0,1,0,0,0,0|1,0,0]=2 2266 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,1,0,0,0,0|1,0,1]=3 2267 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,1,0,0,0,0|1,0,1]=3 2268 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,1,0,0,0,0|1,0,1]=3 2269 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,1,0,0,0,0|1,0,1]=3 2270 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,1,0,0,0,0|2,0,1]=4 2271 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,1,0,0,0,0|2,0,1]=4 2272 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,1,0,0,0,0|1,0,1]=3 2273 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,1,0,0,0,0|1,0,1]=3 2274 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,1,0,0,0,0|1,0,1]=3 2275 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,1,0,0,0,0|1,0,1]=3 2276 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,1,0,0,0,0|1,0,1]=3 2277 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,1,0,0,0,0|1,0,1]=3 2278 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,1,0,0,0,0|1,0,1]=3 2279 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,1,0,0,0,0|1,0,1]=3 2280 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,1,0,0,0,0|1,0,1]=3 2281 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,1,0,0,0,0|1,0,1]=3 2282 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,1,0,0,0,0|1,0,1]=3 2283 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,1,0,0,0,0|1,0,1]=3 2284 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,1,0,0,0,0|1,0,1]=3 2285 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,1,0,0,0,0|1,0,1]=3 2286 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,1,0,0,0,0|1,0,1]=3 2287 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,1,0,0,0,0|1,0,1]=3 2288 B12R0.5 [N-]=[N+]=NCCCCCCNCC=O 2230a_200000049180_200015260668 [0,1,0,0,0,0|3,0,0]=4 2289 B12R0.5 [N-]=[N+]=NCCCCNCCCC=O 2230a_100000101370_200011292268 [0,1,0,0,0,0|3,0,0]=4 2290 B12R0.5 [N-]=[N+]=NCCCNCCCCC=O 2230a_100000744732_100000139335 [0,1,0,0,0,0|3,0,0]=4 2291 B12R0.47 C#CCCCC(=O)CCCCC=C 1458a_100000690238_100011215482 [0,1,0,0,0,0|1,0,2]=4 2292 B12R0.47 C#CCCCC(=O)CCCCC=C 1458a_100011215552_100000731252 [0,1,0,0,0,0|1,0,2]=4 2293 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000696528_100000757094 [0,1,0,0,0,0|1,0,2]=4 2294 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000766728_100010269958 [0,1,0,0,0,0|1,0,2]=4 2295 B12R0.47 C#CCCCN(C)CCCCC=C 2230a_100012000471_100000731252 [0,1,0,0,0,0|2,0,1]=4 2296 B12R0.47 C#CCCCN(C)CCCCC=C 269982a_100012000471_100011215417 [0,1,0,0,0,0|2,0,1]=4 2297 B12R0.47 C=CCCCC(=O)CCCCC#N 1458a_100000766728_100000211819 [0,1,0,0,0,0|1,0,2]=4 2298 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,1,0,0,0,0|1,0,2]=4 2299 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,1,0,0,0,0|1,0,2]=4 2300 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,1,0,0,0,0|1,0,2]=4 2301 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,1,0,0,0,0|0,0,3]=4 2302 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,1,0,0,0,0|0,0,3]=4 2303 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,1,0,0,0,0|2,0,1]=4 2304 B12R0.47 C=CCCCC(=O)CCOCC=C 1458a_200011217002_100000757094 [0,1,0,0,0,0|2,0,1]=4 2305 B12R0.47 C=CCCCCC(=O)CCCC#N 1458a_100000075515_100011215482 [0,1,0,0,0,0|1,0,2]=4 2306 B12R0.47 C=CCCCCC(=O)CCCC#N 1458a_100011215552_100000211468 [0,1,0,0,0,0|1,0,2]=4 2307 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100000766728_100011215482 [0,1,0,0,0,0|1,0,1]=3 2308 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100011215552_100000757094 [0,1,0,0,0,0|1,0,1]=3 2309 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,1,0,0,0,0|1,0,2]=4 2310 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,1,0,0,0,0|1,0,2]=4 2311 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,1,0,0,0,0|1,0,2]=4 2312 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,1,0,0,0,0|0,0,3]=4 2313 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,1,0,0,0,0|0,0,3]=4 2314 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,1,0,0,0,0|2,0,1]=4 2315 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,1,0,0,0,0|2,0,1]=4 2316 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,1,0,0,0,0|2,0,1]=4 2317 B12R0.47 C=CCCCCC(=O)CCOC=C 1458a_100011215552_100000039644 [0,1,0,0,0,0|2,0,1]=4 2318 B12R0.47 C=CCCCCC(=O)CSCC=C 1458a_100000230395_100011215482 [0,1,0,0,0,0|2,0,1]=4 2319 B12R0.47 C=CCCCCC(=O)NCCC=C 11a_100015191253_100011215552 [0,1,0,0,0,0|2,0,1]=4 2320 B12R0.47 C=CCCCCC(=O)NCCC=C 1626a_100015191253_100011215552 [0,1,0,0,0,0|2,0,1]=4 2321 B12R0.47 C=CCCCCC(=O)NCCC=C 240690a_100015191253_100011215552 [0,1,0,0,0,0|2,0,1]=4 2322 B12R0.47 C=CCCCCC(=O)NCCC=C 527a_100015191253_100011215552 [0,1,0,0,0,0|2,0,1]=4 2323 B12R0.47 C=CCCCCN(C)CCCC#N 2230a_100012000471_100000687738 [0,1,0,0,0,0|2,0,1]=4 2324 B12R0.47 C=CCCCCN(C)CCCC#N 269982a_100012000471_100000687738 [0,1,0,0,0,0|2,0,1]=4 2325 B12R0.47 C=CCCCCN(C)CCCC=C 2230a_100012000471_100011713584 [0,1,0,0,0,0|2,0,0]=3 2326 B12R0.47 C=CCCCCN(C)CCCC=C 269982a_100012000471_100000757094 [0,1,0,0,0,0|2,0,0]=3 2327 B12R0.47 C=CCCCCN(C)CCCC=O 2230a_100012000471_200011292268 [0,1,0,0,0,0|1,0,0]=2 2328 B12R0.47 C=CCCCCN(C)CCCC=O 269982a_100012000471_200011292268 [0,1,0,0,0,0|1,0,0]=2 2329 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [0,1,0,0,0,0|2,0,1]=4 2330 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [0,1,0,0,0,0|2,0,1]=4 2331 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [0,1,0,0,0,0|2,0,1]=4 2332 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [0,1,0,0,0,0|2,0,1]=4 2333 B12R0.47 C=CCCCCN(C)CCCCF 2230a_100012000471_100000729493 [0,1,0,0,0,0|2,0,1]=4 2334 B12R0.47 C=CCCCCN(C)CCCCF 269982a_100012000471_100000729493 [0,1,0,0,0,0|2,0,1]=4 2335 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100000717598_100011215482 [0,1,0,0,0,0|1,0,2]=4 2336 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100012000471_100000210776 [0,1,0,0,0,0|1,0,2]=4 2337 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100000717598_100011215482 [0,1,0,0,0,0|1,0,2]=4 2338 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100012000471_100000210776 [0,1,0,0,0,0|1,0,2]=4 2339 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100000224831_100011215482 [0,1,0,0,0,0|3,0,0]=4 2340 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100012000471_100000740836 [0,1,0,0,0,0|3,0,0]=4 2341 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100000224831_100011215482 [0,1,0,0,0,0|3,0,0]=4 2342 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100012000471_100000740836 [0,1,0,0,0,0|3,0,0]=4 2343 B12R0.47 C=CCCCCN(C)CCOC=C 2230a_100012000471_100000039644 [0,1,0,0,0,0|3,0,0]=4 2344 B12R0.47 C=CCCCCN(C)CCOC=C 269982a_100012000471_100000039644 [0,1,0,0,0,0|3,0,0]=4 2345 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [0,1,0,0,0,0|2,0,1]=4 2346 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [0,1,0,0,0,0|2,0,1]=4 2347 B12R0.47 C=CCCCN(C)CCCCCO 2230a_100000722520_100011713584 [0,1,0,0,0,0|1,0,2]=4 2348 B12R0.47 C=CCCCN(C)CCCCCO 269982a_100000722520_100000757094 [0,1,0,0,0,0|1,0,2]=4 2349 B12R0.47 C=CCCCNC(=O)CCCC=C 11a_100000700776_100000766728 [0,1,0,0,0,0|2,0,1]=4 2350 B12R0.47 C=CCCCNC(=O)CCCC=C 1626a_100000700776_100000766728 [0,1,0,0,0,0|2,0,1]=4 2351 B12R0.47 C=CCCCNC(=O)CCCC=C 240690a_100000700776_100000766728 [0,1,0,0,0,0|2,0,1]=4 2352 B12R0.47 C=CCCCNC(=O)CCCC=C 527a_100000700776_100000766728 [0,1,0,0,0,0|2,0,1]=4 2353 B12R0.47 C=CCCCNC(C)CCCC#N 270004a_100000700776_200000032708 [0,1,0,0,0,0|2,0,1]=4 2354 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [0,1,0,0,0,0|2,0,1]=4 2355 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [0,1,0,0,0,0|2,0,1]=4 2356 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [0,1,0,0,0,0|2,0,1]=4 2357 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [0,1,0,0,0,0|2,0,1]=4 2358 B12R0.47 C=CCCCNC(C)CCCSC 270004a_100000700776_100011399439 [0,1,0,0,0,0|3,0,0]=4 2359 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,1,0,0,0,0|2,0,1]=4 2360 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,1,0,0,0,0|2,0,1]=4 2361 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,1,0,0,0,0|2,0,1]=4 2362 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,1,0,0,0,0|2,0,1]=4 2363 B12R0.47 C=CCCCOC(C)CCCOC 34a_200011539412_100000757094 [0,1,0,0,0,0|3,0,0]=4 2364 B12R0.47 C=CCCCOC(C)CCCOC 7a_200011539412_100000757094 [0,1,0,0,0,0|3,0,0]=4 2365 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [0,1,0,0,0,0|2,0,1]=4 2366 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [0,1,0,0,0,0|2,0,1]=4 2367 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [0,1,0,0,0,0|2,0,1]=4 2368 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [0,1,0,0,0,0|2,0,1]=4 2369 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [0,1,0,0,0,0|2,0,1]=4 2370 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [0,1,0,0,0,0|2,0,1]=4 2371 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,1,0,0,0,0|2,0,1]=4 2372 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,1,0,0,0,0|2,0,1]=4 2373 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,1,0,0,0,0|2,0,1]=4 2374 B12R0.47 C=CCCOC[C@@H](N)CCCCN 34a_100016993712_100000754431 [0,1,0,0,0,0|2,0,1]=4 2375 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [0,1,0,0,0,0|2,0,1]=4 2376 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [0,1,0,0,0,0|2,0,1]=4 2377 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [0,1,0,0,0,0|1,0,2]=4 2378 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,1,0,0,0,0|1,0,2]=4 2379 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [0,1,0,0,0,0|1,0,2]=4 2380 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [0,1,0,0,0,0|1,0,2]=4 2381 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,1,0,0,0,0|1,0,2]=4 2382 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,1,0,0,0,0|1,0,2]=4 2383 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,1,0,0,0,0|1,0,2]=4 2384 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,1,0,0,0,0|1,0,2]=4 2385 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [0,1,0,0,0,0|2,0,1]=4 2386 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [0,1,0,0,0,0|2,0,1]=4 2387 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [0,1,0,0,0,0|2,0,1]=4 2388 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [0,1,0,0,0,0|2,0,1]=4 2389 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [0,1,0,0,0,0|2,0,1]=4 2390 B12R0.47 COCCCN(C)CCCCC=O 2230a_100000224831_100000139335 [0,1,0,0,0,0|2,0,1]=4 2391 B12R0.47 COCCCN(C)CCCCC=O 269982a_100000224831_100000139335 [0,1,0,0,0,0|2,0,1]=4 2392 B12R0.206 C#CCCC(=O)CCCCCC=C 1458a_100000692101_100000700193 [0,1,0,0,0,0|1,0,2]=4 2393 B12R0.206 C#CCCC(=O)CCCCCC=C 1458a_100011934241_100000753159 [0,1,0,0,0,0|1,0,2]=4 2394 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000694772_100000754431 [0,1,0,0,0,0|1,0,2]=4 2395 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000749702_100012094781 [0,1,0,0,0,0|1,0,2]=4 2396 B12R0.206 C#CCCCCCN(C)CCC=C 2230a_100020639649_100012094781 [0,1,0,0,0,0|2,0,1]=4 2397 B12R0.206 C#CCCCCCN(C)CCC=C 269982a_100020639649_100012094781 [0,1,0,0,0,0|2,0,1]=4 2398 B12R0.206 C#CCCCCOC(C)CCC=C 34a_100000765329_100010269958 [0,1,0,0,0,0|2,0,1]=4 2399 B12R0.206 C#CCCCCOC(C)CCC=C 7a_100000765329_100010269958 [0,1,0,0,0,0|2,0,1]=4 2400 B12R0.206 C=CCCC(=O)CCCCCC#N 1458a_100000749702_100009813376 [0,1,0,0,0,0|1,0,2]=4 2401 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,0,0,0,0|1,0,2]=4 2402 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,0,0,0,0|1,0,2]=4 2403 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,1,0,0,0,0|1,0,2]=4 2404 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,1,0,0,0,0|0,0,3]=4 2405 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,1,0,0,0,0|0,0,3]=4 2406 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,1,0,0,0,0|2,0,1]=4 2407 B12R0.206 C=CCCC(C)NCCCCC#N 270004a_100000751965_100000762624 [0,1,0,0,0,0|2,0,1]=4 2408 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,1,0,0,0,0|2,0,1]=4 2409 B12R0.206 C=CCCC(C)NCCCCCO 270004a_100000762737_100000762624 [0,1,0,0,0,0|1,0,2]=4 2410 B12R0.206 C=CCCC(C)NCCCOC=C 270004a_100000210767_100000762624 [0,1,0,0,0,0|3,0,0]=4 2411 B12R0.206 C=CCCC(C)OCCCCC#N 7a_100000765329_100000211819 [0,1,0,0,0,0|2,0,1]=4 2412 B12R0.206 C=CCCC(C)OCCCCC=O 7a_100000765329_100000139335 [0,1,0,0,0,0|1,0,0]=2 2413 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,1,0,0,0,0|2,0,1]=4 2414 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,1,0,0,0,0|2,0,1]=4 2415 B12R0.206 C=CCCC(C)OCCCCCF 34a_100000765329_100000729378 [0,1,0,0,0,0|2,0,1]=4 2416 B12R0.206 C=CCCC(C)OCCCCCF 7a_100000765329_100000729378 [0,1,0,0,0,0|2,0,1]=4 2417 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [0,1,0,0,0,0|1,0,2]=4 2418 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [0,1,0,0,0,0|1,0,2]=4 2419 B12R0.206 C=CCCC(C)OCCCCOC 34a_100000765329_100000755781 [0,1,0,0,0,0|3,0,0]=4 2420 B12R0.206 C=CCCC(C)OCCCCOC 7a_100000765329_100000730899 [0,1,0,0,0,0|3,0,0]=4 2421 B12R0.206 C=CCCCCCC(=O)C/C=C/C 1458a_100011934241_100102629194 [0,1,0,0,0,0|1,0,2]=4 2422 B12R0.206 C=CCCCCCC(=O)CC=CC 1458a_100011934241_100000070051 [0,1,0,0,0,0|1,0,2]=4 2423 B12R0.206 C=CCCCCCC(=O)CC=CC 1458a_100121576822_100000700193 [0,1,0,0,0,0|1,0,2]=4 2424 B12R0.206 C=CCCCCCC(=O)CCC#N 1458a_100011934036_100000700193 [0,1,0,0,0,0|1,0,2]=4 2425 B12R0.206 C=CCCCCCC(=O)CCC#N 1458a_100011934241_100011215226 [0,1,0,0,0,0|1,0,2]=4 2426 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100000749702_100000700193 [0,1,0,0,0,0|1,0,1]=3 2427 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100011934241_100000754431 [0,1,0,0,0,0|1,0,1]=3 2428 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,1,0,0,0,0|1,0,2]=4 2429 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,1,0,0,0,0|1,0,2]=4 2430 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,1,0,0,0,0|1,0,2]=4 2431 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,1,0,0,0,0|0,0,3]=4 2432 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,1,0,0,0,0|2,0,1]=4 2433 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,1,0,0,0,0|2,0,1]=4 2434 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,1,0,0,0,0|2,0,1]=4 2435 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,1,0,0,0,0|2,0,1]=4 2436 B12R0.206 C=CCCCCCC(=O)NCC=C 1626a_100020586998_100011934241 [0,1,0,0,0,0|2,0,1]=4 2437 B12R0.206 C=CCCCCCC(=O)NCC=C 240690a_100020586998_100011934241 [0,1,0,0,0,0|2,0,1]=4 2438 B12R0.206 C=CCCCCCC(=O)NCC=C 527a_100020586998_100011934241 [0,1,0,0,0,0|2,0,1]=4 2439 B12R0.206 C=CCCCCCN(C)CCC#N 2230a_100000184479_100000700193 [0,1,0,0,0,0|2,0,1]=4 2440 B12R0.206 C=CCCCCCN(C)CCC=C 2230a_100020639649_100000700193 [0,1,0,0,0,0|2,0,0]=3 2441 B12R0.206 C=CCCCCCN(C)CCC=C 269982a_100020639649_100000700193 [0,1,0,0,0,0|2,0,0]=3 2442 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [0,1,0,0,0,0|2,0,1]=4 2443 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [0,1,0,0,0,0|2,0,1]=4 2444 B12R0.206 C=CCCCCCN(C)CCCO 2230a_100000213112_100000700193 [0,1,0,0,0,0|1,0,2]=4 2445 B12R0.206 C=CCCCCCN(C)CCCO 269982a_100000213112_100000700193 [0,1,0,0,0,0|1,0,2]=4 2446 B12R0.206 C=CCCCCCN(C)CCOC 2230a_100000743101_100000700193 [0,1,0,0,0,0|3,0,0]=4 2447 B12R0.206 C=CCCCCCN(C)CCOC 269982a_100000743101_100000700193 [0,1,0,0,0,0|3,0,0]=4 2448 B12R0.206 C=CCCCCCN(C)CCSC 2230a_100000686725_100000700193 [0,1,0,0,0,0|3,0,0]=4 2449 B12R0.206 C=CCCCCCN(C)CCSC 269982a_100000686725_100000700193 [0,1,0,0,0,0|3,0,0]=4 2450 B12R0.206 C=CCCCCNC(=O)CCC=C 11a_100000703577_100000749702 [0,1,0,0,0,0|2,0,1]=4 2451 B12R0.206 C=CCCCCNC(=O)CCC=C 1626a_100000703577_100000749702 [0,1,0,0,0,0|2,0,1]=4 2452 B12R0.206 C=CCCCCNC(=O)CCC=C 240690a_100000703577_100000749702 [0,1,0,0,0,0|2,0,1]=4 2453 B12R0.206 C=CCCCCNC(=O)CCC=C 527a_100000703577_100000749702 [0,1,0,0,0,0|2,0,1]=4 2454 B12R0.206 C=CCCCCNC(C)CCC=C 270004a_100000703577_100000762624 [0,1,0,0,0,0|2,0,0]=3 2455 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [0,1,0,0,0,0|2,0,1]=4 2456 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [0,1,0,0,0,0|2,0,1]=4 2457 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [0,1,0,0,0,0|2,0,1]=4 2458 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [0,1,0,0,0,0|2,0,1]=4 2459 B12R0.206 C=CCCCCNC(C)CCOC 270004a_100000703577_100000742357 [0,1,0,0,0,0|3,0,0]=4 2460 B12R0.206 C=CCCCCNC(C)CCSC 270004a_100000703577_100011217047 [0,1,0,0,0,0|3,0,0]=4 2461 B12R0.206 C=CCCCCOC(C)CCC=C 34a_100000765329_100011215482 [0,1,0,0,0,0|2,0,0]=3 2462 B12R0.206 C=CCCCCOC(C)CCC=C 7a_100000765329_100011215482 [0,1,0,0,0,0|2,0,0]=3 2463 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [0,1,0,0,0,0|2,0,1]=4 2464 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [0,1,0,0,0,0|2,0,1]=4 2465 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [0,1,0,0,0,0|2,0,1]=4 2466 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [0,1,0,0,0,0|2,0,1]=4 2467 B12R0.206 C=CCCCCOC(C)CCCCl 34a_200000718107_100011215482 [0,1,0,0,0,0|2,0,1]=4 2468 B12R0.206 C=CCCCCOC(C)CCCCl 7a_200000718107_100011215482 [0,1,0,0,0,0|2,0,1]=4 2469 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [0,1,0,0,0,0|2,0,1]=4 2470 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [0,1,0,0,0,0|2,0,1]=4 2471 B12R0.206 C=CCCCNC[C@H](C)CCCO 2230a_100160569302_100011713584 [0,1,0,0,0,0|1,0,2]=4 2472 B12R0.206 C=CCCCNC[C@H](C)CCCO 34a_100160569302_100000757094 [0,1,0,0,0,0|1,0,2]=4 2473 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [0,1,0,0,0,0|2,0,1]=4 2474 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [0,1,0,0,0,0|2,0,1]=4 2475 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [0,1,0,0,0,0|2,0,1]=4 2476 B12R0.206 C=CCCCOC[C@@H](N)CCSC 34a_100011827619_100000757094 [0,1,0,0,0,0|3,0,0]=4 2477 B12R0.206 C=CCCN(C)CCCCCC#N 2230a_100020639649_100009813376 [0,1,0,0,0,0|2,0,1]=4 2478 B12R0.206 C=CCCN(C)CCCCCC#N 269982a_100020639649_100009813376 [0,1,0,0,0,0|2,0,1]=4 2479 B12R0.206 C=CCCN(C)CCCCCC=O 2230a_100020639649_100000139337 [0,1,0,0,0,0|1,0,0]=2 2480 B12R0.206 C=CCCN(C)CCCCCC=O 269982a_100020639649_100000139337 [0,1,0,0,0,0|1,0,0]=2 2481 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,1,0,0,0,0|2,0,1]=4 2482 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,1,0,0,0,0|2,0,1]=4 2483 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,1,0,0,0,0|2,0,1]=4 2484 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,1,0,0,0,0|2,0,1]=4 2485 B12R0.206 C=CCCN(C)CCCCCCF 2230a_100020639649_100015922095 [0,1,0,0,0,0|2,0,1]=4 2486 B12R0.206 C=CCCN(C)CCCCCCF 269982a_100020639649_100015922095 [0,1,0,0,0,0|2,0,1]=4 2487 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [0,1,0,0,0,0|1,0,2]=4 2488 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [0,1,0,0,0,0|1,0,2]=4 2489 B12R0.206 C=CCNC(=O)CSCCCC=O 62a_100000183597_200011292268 [0,1,0,0,0,0|2,0,1]=4 2490 B12R0.206 C=CCNC(=O)CSCCCC=O 62a_200011292268_100000183597 [0,1,0,0,0,0|2,0,1]=4 2491 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,1,0,0,0,0|2,0,1]=4 2492 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,1,0,0,0,0|2,0,1]=4 2493 B12R0.206 C=CCOC(=O)CSCCCC=O 62a_100000033060_200011292268 [0,1,0,0,0,0|2,0,1]=4 2494 B12R0.206 C=CCOC(=O)CSCCCC=O 62a_200011292268_100000033060 [0,1,0,0,0,0|2,0,1]=4 2495 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,1,0,0,0,0|2,0,1]=4 2496 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,1,0,0,0,0|2,0,1]=4 2497 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,1,0,0,0,0|2,0,1]=4 2498 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,1,0,0,0,0|2,0,1]=4 2499 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,1,0,0,0,0|2,0,1]=4 2500 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [0,1,0,0,0,0|2,0,1]=4 2501 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [0,1,0,0,0,0|1,0,2]=4 2502 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [0,1,0,0,0,0|1,0,2]=4 2503 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [0,1,0,0,0,0|1,0,2]=4 2504 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [0,1,0,0,0,0|1,0,2]=4 2505 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [0,1,0,0,0,0|1,0,2]=4 2506 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,1,0,0,0,0|1,0,2]=4 2507 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,1,0,0,0,0|1,0,2]=4 2508 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,1,0,0,0,0|1,0,2]=4 2509 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,1,0,0,0,0|1,0,2]=4 2510 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [0,1,0,0,0,0|1,0,2]=4 2511 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [0,1,0,0,0,0|1,0,2]=4 2512 B12R0.206 CN(CCC#N)CCCCCC=O 2230a_100000184479_100000139337 [0,1,0,0,0,0|2,0,1]=4 2513 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [0,1,0,0,0,0|2,0,1]=4 2514 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [0,1,0,0,0,0|2,0,1]=4 2515 B12R0.206 COCCN(C)CCCCCC=O 2230a_100000743101_100000139337 [0,1,0,0,0,0|2,0,1]=4 2516 B12R0.206 COCCN(C)CCCCCC=O 269982a_100000743101_100000139337 [0,1,0,0,0,0|2,0,1]=4 2517 B12R0.206 CSCCN(C)CCCCCC=O 2230a_100000686725_100000139337 [0,1,0,0,0,0|2,0,1]=4 2518 B12R0.206 CSCCN(C)CCCCCC=O 269982a_100000686725_100000139337 [0,1,0,0,0,0|2,0,1]=4 2519 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [0,1,0,0,0,0|2,0,1]=4 2520 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|0,0,2]=3 2521 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|0,0,2]=3 2522 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,1,0,0,0,0|1,0,2]=4 2523 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,1,0,0,0,0|1,0,2]=4 2524 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100000210245_100012276617 [0,1,0,0,0,0|2,0,1]=4 2525 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100011217361_100000748629 [0,1,0,0,0,0|2,0,1]=4 2526 B12R0.234 C#CCCCCCCOCC(=C)C 7a_100011217361_100000748629 [0,1,0,0,0,0|2,0,1]=4 2527 B12R0.234 C#CCCCCCCOCC(=C)F 34a_100011217361_100009893438 [0,1,0,0,0,0|2,0,1]=4 2528 B12R0.234 C#CCCCCCCOCC(=C)F 34a_200010262243_100012276617 [0,1,0,0,0,0|2,0,1]=4 2529 B12R0.234 C#CCCCCCCOCC(=C)F 7a_100011217361_100000042424 [0,1,0,0,0,0|2,0,1]=4 2530 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,1,0,0,0,0|1,0,2]=4 2531 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 2532 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 2533 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,1,0,0,0,0|1,0,2]=4 2534 B12R0.234 C#CCCCCCCSCC(=C)C 62a_100000748629_100012276617 [0,1,0,0,0,0|2,0,1]=4 2535 B12R0.234 C#CCCCCCCSCC(=C)C 62a_100012276617_100000211660 [0,1,0,0,0,0|2,0,1]=4 2536 B12R0.234 C#CCCCCCCSCC(=C)F 62a_100000042424_100012276617 [0,1,0,0,0,0|2,0,1]=4 2537 B12R0.234 C#CCCCCCCSCC(=C)F 62a_100012276617_100000042424 [0,1,0,0,0,0|2,0,1]=4 2538 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,1,0,0,0,0|1,0,2]=4 2539 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,1,0,0,0,0|1,0,2]=4 2540 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,1,0,0,0,0|1,0,2]=4 2541 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,1,0,0,0,0|1,0,2]=4 2542 B12R0.234 C#CCCCCCOCCC(=C)Br 34a_100009813270_100012094781 [0,1,0,0,0,0|2,0,1]=4 2543 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000764851_100012094781 [0,1,0,0,0,0|2,0,1]=4 2544 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000766912_100000730704 [0,1,0,0,0,0|2,0,1]=4 2545 B12R0.234 C#CCCCCCOCCC(=C)C 7a_100000766912_100000730704 [0,1,0,0,0,0|2,0,1]=4 2546 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 2547 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 2548 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,1,0,0,0,0|1,0,2]=4 2549 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 2550 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,1,0,0,0,0|1,0,2]=4 2551 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 2552 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,1,0,0,0,0|1,0,2]=4 2553 B12R0.234 C#CCCCCCSCCC(=C)C 62a_100000730704_100012094781 [0,1,0,0,0,0|2,0,1]=4 2554 B12R0.234 C#CCCCCCSCCC(=C)C 62a_100012094781_100000730704 [0,1,0,0,0,0|2,0,1]=4 2555 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,1,0,0,0,0|1,0,2]=4 2556 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,1,0,0,0,0|1,0,2]=4 2557 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,1,0,0,0,0|1,0,2]=4 2558 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,1,0,0,0,0|1,0,2]=4 2559 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,1,0,0,0,0|1,0,2]=4 2560 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,1,0,0,0,0|1,0,2]=4 2561 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,1,0,0,0,0|1,0,2]=4 2562 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 2563 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,1,0,0,0,0|1,0,2]=4 2564 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 2565 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,1,0,0,0,0|1,0,2]=4 2566 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 2567 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 2568 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,1,0,0,0,0|1,0,2]=4 2569 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,1,0,0,0,0|1,0,2]=4 2570 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,1,0,0,0,0|1,0,2]=4 2571 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,1,0,0,0,0|1,0,2]=4 2572 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,1,0,0,0,0|1,0,2]=4 2573 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,1,0,0,0,0|1,0,2]=4 2574 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,1,0,0,0,0|1,0,2]=4 2575 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,1,0,0,0,0|1,0,2]=4 2576 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,1,0,0,0,0|1,0,2]=4 2577 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,1,0,0,0,0|1,0,2]=4 2578 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,1,0,0,0,0|1,0,2]=4 2579 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,1,0,0,0,0|1,0,2]=4 2580 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,1,0,0,0,0|1,0,2]=4 2581 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 2582 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,1,0,0,0,0|1,0,2]=4 2583 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 2584 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,1,0,0,0,0|1,0,2]=4 2585 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,1,0,0,0,0|1,0,2]=4 2586 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,1,0,0,0,0|1,0,2]=4 2587 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,1,0,0,0,0|1,0,2]=4 2588 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 2589 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,1,0,0,0,0|1,0,2]=4 2590 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 2591 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,1,0,0,0,0|1,0,2]=4 2592 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,1,0,0,0,0|1,0,2]=4 2593 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,1,0,0,0,0|1,0,2]=4 2594 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,0,0,0,0|2,0,1]=4 2595 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,1,0,0,0,0|2,0,1]=4 2596 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,1,0,0,0,0|1,0,2]=4 2597 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,0,0,0,0|2,0,1]=4 2598 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,1,0,0,0,0|1,0,2]=4 2599 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,1,0,0,0,0|1,0,2]=4 2600 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 2601 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 2602 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,1,0,0,0,0|2,0,1]=4 2603 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,1,0,0,0,0|2,0,1]=4 2604 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|2,0,1]=4 2605 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|2,0,1]=4 2606 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|2,0,1]=4 2607 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,1,0,0,0,0|2,0,1]=4 2608 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,1,0,0,0,0|2,0,1]=4 2609 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,1,0,0,0,0|2,0,1]=4 2610 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,1,0,0,0,0|2,0,1]=4 2611 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,1,0,0,0,0|2,0,1]=4 2612 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,1,0,0,0,0|2,0,1]=4 2613 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,1,0,0,0,0|1,0,2]=4 2614 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 2615 B12R0.234 C=C(C)CCSCCCCCC#N 62a_100000730704_100009813376 [0,1,0,0,0,0|2,0,1]=4 2616 B12R0.234 C=C(C)CCSCCCCCC#N 62a_100009813376_100000730704 [0,1,0,0,0,0|2,0,1]=4 2617 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [0,1,0,0,0,0|1,0,0]=2 2618 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [0,1,0,0,0,0|1,0,0]=2 2619 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,0,0,0,0|2,0,1]=4 2620 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,0,0,0,0|2,0,1]=4 2621 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,1,0,0,0,0|2,0,1]=4 2622 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,1,0,0,0,0|2,0,1]=4 2623 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,1,0,0,0,0|1,0,2]=4 2624 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,1,0,0,0,0|1,0,2]=4 2625 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,0,0,0,0|2,0,1]=4 2626 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,0,0,0,0|2,0,1]=4 2627 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,1,0,0,0,0|1,0,2]=4 2628 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,1,0,0,0,0|1,0,2]=4 2629 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,1,0,0,0,0|2,0,1]=4 2630 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,1,0,0,0,0|2,0,1]=4 2631 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,0,0,0,0|2,0,1]=4 2632 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,0,0,0,0|2,0,1]=4 2633 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,0,0,0,0|2,0,1]=4 2634 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,1,0,0,0,0|2,0,1]=4 2635 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,1,0,0,0,0|1,0,2]=4 2636 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,1,0,0,0,0|3,0,0]=4 2637 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 2638 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 2639 B12R0.234 C=C(C)CSCCCCCCC#N 62a_100000748629_100009813337 [0,1,0,0,0,0|2,0,1]=4 2640 B12R0.234 C=C(C)CSCCCCCCC#N 62a_100009813337_100000211660 [0,1,0,0,0,0|2,0,1]=4 2641 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,0,0,0,0|2,0,1]=4 2642 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,0,0,0,0|2,0,1]=4 2643 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,1,0,0,0,0|1,0,2]=4 2644 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,1,0,0,0,0|1,0,2]=4 2645 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,1,0,0,0,0|3,0,0]=4 2646 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,1,0,0,0,0|3,0,0]=4 2647 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,0,0,0,0|2,0,1]=4 2648 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,0,0,0,0|2,0,1]=4 2649 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,1,0,0,0,0|1,0,2]=4 2650 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,1,0,0,0,0|1,0,2]=4 2651 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,1,0,0,0,0|2,0,1]=4 2652 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,1,0,0,0,0|2,0,1]=4 2653 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,0,0,0,0|2,0,1]=4 2654 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,0,0,0,0|2,0,1]=4 2655 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,0,0,0,0|2,0,1]=4 2656 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,1,0,0,0,0|2,0,1]=4 2657 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,1,0,0,0,0|1,0,2]=4 2658 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,1,0,0,0,0|3,0,0]=4 2659 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,1,0,0,0,0|3,0,0]=4 2660 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,1,0,0,0,0|3,0,0]=4 2661 B12R0.234 C=C(F)CSCCCCCCC#N 62a_100000042424_100009813337 [0,1,0,0,0,0|2,0,1]=4 2662 B12R0.234 C=C(F)CSCCCCCCC#N 62a_100009813337_100000042424 [0,1,0,0,0,0|2,0,1]=4 2663 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,0,0,0,0|2,0,1]=4 2664 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,0,0,0,0|2,0,1]=4 2665 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,1,0,0,0,0|1,0,2]=4 2666 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,1,0,0,0,0|1,0,2]=4 2667 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,1,0,0,0,0|3,0,0]=4 2668 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,1,0,0,0,0|3,0,0]=4 2669 B12R0.234 C=CCCC/C=C/COCC(=O)N 34a_200016268473_100000187820 [0,1,0,0,0,0|1,0,2]=4 2670 B12R0.234 C=CCCC/C=C/COCC(=O)N 7a_200016268473_100000187820 [0,1,0,0,0,0|1,0,2]=4 2671 B12R0.234 C=CCCC/C=C/COCC(=O)[O-] 34a_200016268473_100020667443 [0,1,0,0,0,0|1,0,2]=4 2672 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|0,0,0]=1 2673 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|0,0,0]=1 2674 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|0,0,0]=1 2675 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,1,0,0,0,0|2,0,0]=3 2676 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,1,0,0,0,0|2,0,0]=3 2677 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,1,0,0,0,0|2,0,1]=4 2678 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,1,0,0,0,0|2,0,1]=4 2679 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,1,0,0,0,0|2,0,1]=4 2680 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,1,0,0,0,0|2,0,1]=4 2681 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,1,0,0,0,0|2,0,1]=4 2682 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,1,0,0,0,0|2,0,1]=4 2683 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,1,0,0,0,0|2,0,1]=4 2684 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,1,0,0,0,0|1,0,0]=2 2685 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,0,0,0,0|1,0,0]=2 2686 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,1,0,0,0,0|2,0,1]=4 2687 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,1,0,0,0,0|2,0,1]=4 2688 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,1,0,0,0,0|1,0,2]=4 2689 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,1,0,0,0,0|1,0,2]=4 2690 B12R0.234 C=CCCCCCCNCC(F)F 34a_100000765723_100011215473 [0,1,0,0,0,0|2,0,1]=4 2691 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,1,0,0,0,0|2,0,0]=3 2692 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,1,0,0,0,0|2,0,0]=3 2693 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,1,0,0,0,0|2,0,0]=3 2694 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200010262243_100011215473 [0,1,0,0,0,0|2,0,0]=3 2695 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200011216477_100009893438 [0,1,0,0,0,0|2,0,0]=3 2696 B12R0.234 C=CCCCCCCOCC(=C)F 7a_200011216477_100000042424 [0,1,0,0,0,0|2,0,0]=3 2697 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,1,0,0,0,0|1,0,0]=2 2698 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,1,0,0,0,0|1,0,0]=2 2699 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,1,0,0,0,0|1,0,0]=2 2700 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,1,0,0,0,0|1,0,0]=2 2701 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,1,0,0,0,0|2,0,1]=4 2702 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,1,0,0,0,0|2,0,1]=4 2703 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,1,0,0,0,0|2,0,1]=4 2704 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,1,0,0,0,0|2,0,1]=4 2705 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,1,0,0,0,0|2,0,1]=4 2706 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,1,0,0,0,0|1,0,2]=4 2707 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,1,0,0,0,0|1,0,2]=4 2708 B12R0.234 C=CCCCCCCOCC(F)F 34a_100000743014_100011215473 [0,1,0,0,0,0|2,0,1]=4 2709 B12R0.234 C=CCCCCCCOCC(F)F 34a_200011216477_100011934356 [0,1,0,0,0,0|2,0,1]=4 2710 B12R0.234 C=CCCCCCCOCC(F)F 7a_200011216477_100011934356 [0,1,0,0,0,0|2,0,1]=4 2711 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,1,0,0,0,0|2,0,1]=4 2712 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,1,0,0,0,0|2,0,1]=4 2713 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,1,0,0,0,0|1,0,2]=4 2714 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,1,0,0,0,0|1,0,2]=4 2715 B12R0.234 C=CCCCCCCOC[N+](=O)[O-] 34a_200011216477_100000761209 [0,1,0,0,0,0|2,0,0]=3 2716 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [0,1,0,0,0,0|2,0,0]=3 2717 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [0,1,0,0,0,0|2,0,0]=3 2718 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100000042424_100011215473 [0,1,0,0,0,0|2,0,0]=3 2719 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100011215473_100000042424 [0,1,0,0,0,0|2,0,0]=3 2720 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,1,0,0,0,0|1,0,0]=2 2721 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,1,0,0,0,0|1,0,0]=2 2722 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,1,0,0,0,0|1,0,0]=2 2723 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,1,0,0,0,0|1,0,0]=2 2724 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,1,0,0,0,0|2,0,1]=4 2725 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,1,0,0,0,0|2,0,1]=4 2726 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,1,0,0,0,0|1,0,2]=4 2727 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,1,0,0,0,0|1,0,2]=4 2728 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011215473_100011934356 [0,1,0,0,0,0|2,0,1]=4 2729 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011934356_100011215473 [0,1,0,0,0,0|2,0,1]=4 2730 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,1,0,0,0,0|1,0,2]=4 2731 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,1,0,0,0,0|1,0,2]=4 2732 B12R0.234 C=CCCCCCCSC[N+](=O)[O-] 62a_100011215473_100000761209 [0,1,0,0,0,0|2,0,0]=3 2733 B12R0.234 C=CCCCCCNCC=C(C)C 34a_100000718196_100000700193 [0,1,0,0,0,0|2,0,1]=4 2734 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,1,0,0,0,0|1,0,2]=4 2735 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [0,1,0,0,0,0|2,0,0]=3 2736 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100000753907_100000700193 [0,1,0,0,0,0|2,0,1]=4 2737 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100011216702_100000761012 [0,1,0,0,0,0|2,0,1]=4 2738 B12R0.234 C=CCCCCCOCC=C(C)C 7a_100011216702_100000761012 [0,1,0,0,0,0|2,0,1]=4 2739 B12R0.234 C=CCCCCCOCCC(=C)Br 34a_100009813270_100000700193 [0,1,0,0,0,0|2,0,0]=3 2740 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,1,0,0,0,0|2,0,0]=3 2741 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,1,0,0,0,0|2,0,0]=3 2742 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,1,0,0,0,0|2,0,0]=3 2743 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,1,0,0,0,0|1,0,0]=2 2744 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,1,0,0,0,0|1,0,0]=2 2745 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,1,0,0,0,0|1,0,0]=2 2746 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,1,0,0,0,0|1,0,0]=2 2747 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,1,0,0,0,0|1,0,0]=2 2748 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,1,0,0,0,0|1,0,0]=2 2749 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,1,0,0,0,0|1,0,0]=2 2750 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,1,0,0,0,0|2,0,1]=4 2751 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,1,0,0,0,0|2,0,1]=4 2752 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,1,0,0,0,0|2,0,1]=4 2753 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,1,0,0,0,0|2,0,1]=4 2754 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,1,0,0,0,0|2,0,1]=4 2755 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,1,0,0,0,0|1,0,2]=4 2756 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,1,0,0,0,0|1,0,2]=4 2757 B12R0.234 C=CCCCCCOCCC(F)F 34a_100103093639_100000700193 [0,1,0,0,0,0|2,0,1]=4 2758 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,1,0,0,0,0|2,0,1]=4 2760 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [0,1,0,0,0,0|2,0,0]=3 2761 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000700193_100000761012 [0,1,0,0,0,0|2,0,1]=4 2762 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000761012_100000700193 [0,1,0,0,0,0|2,0,1]=4 2763 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [0,1,0,0,0,0|2,0,0]=3 2764 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [0,1,0,0,0,0|2,0,0]=3 2765 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,1,0,0,0,0|1,0,0]=2 2766 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,1,0,0,0,0|1,0,0]=2 2767 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,1,0,0,0,0|1,0,0]=2 2768 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,1,0,0,0,0|1,0,0]=2 2769 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,1,0,0,0,0|2,0,1]=4 2770 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,1,0,0,0,0|2,0,1]=4 2771 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,1,0,0,0,0|1,0,2]=4 2772 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,1,0,0,0,0|1,0,2]=4 2773 B12R0.234 C=CCCCCCSCCN(C)C 62a_100000700193_100000755713 [0,1,0,0,0,0|3,0,0]=4 2774 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [0,1,0,0,0,0|2,0,0]=3 2775 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [0,1,0,0,0,0|2,0,0]=3 2776 B12R0.234 C=CCCCCNCCC=C(C)C 2230a_100000703577_100011217483 [0,1,0,0,0,0|2,0,1]=4 2777 B12R0.234 C=CCCCCNCCC=C(C)C 34a_100000703577_100011217483 [0,1,0,0,0,0|2,0,1]=4 2778 B12R0.234 C=CCCCCNCCC=C(F)F 2230a_100000703577_200009816681 [0,1,0,0,0,0|2,0,1]=4 2779 B12R0.234 C=CCCCCNCCC=C(F)F 34a_100000703577_200009816681 [0,1,0,0,0,0|2,0,1]=4 2780 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,1,0,0,0,0|1,0,0]=2 2781 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,1,0,0,0,0|1,0,0]=2 2782 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,1,0,0,0,0|1,0,0]=2 2783 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,1,0,0,0,0|2,0,1]=4 2784 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,1,0,0,0,0|2,0,1]=4 2785 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,1,0,0,0,0|2,0,1]=4 2786 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,1,0,0,0,0|2,0,1]=4 2787 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,1,0,0,0,0|1,0,2]=4 2788 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,1,0,0,0,0|1,0,2]=4 2789 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [0,1,0,0,0,0|2,0,0]=3 2790 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000209853_100011215482 [0,1,0,0,0,0|2,0,0]=3 2791 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000703577_100000189650 [0,1,0,0,0,0|2,0,0]=3 2792 B12R0.234 C=CCCCCNCCNC(=O)N 2230a_100000703577_200000034859 [0,1,0,0,0,0|2,0,0]=3 2793 B12R0.234 C=CCCCCNCCNC(=O)N 34a_100020590234_100011215482 [0,1,0,0,0,0|2,0,0]=3 2794 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [0,1,0,0,0,0|2,0,0]=3 2795 B12R0.234 C=CCCCCNCCOC(=O)N 34a_100000703577_200011214921 [0,1,0,0,0,0|2,0,0]=3 2796 B12R0.234 C=CCCCCOCCC=C(C)C 34a_100000766645_100011217483 [0,1,0,0,0,0|2,0,1]=4 2797 B12R0.234 C=CCCCCOCCC=C(C)C 7a_100000766645_100011217483 [0,1,0,0,0,0|2,0,1]=4 2798 B12R0.234 C=CCCCCOCCC=C(F)F 34a_100000766645_200009816681 [0,1,0,0,0,0|2,0,1]=4 2799 B12R0.234 C=CCCCCOCCC=C(F)F 7a_100000766645_200009816681 [0,1,0,0,0,0|2,0,1]=4 2800 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,1,0,0,0,0|1,0,0]=2 2801 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,1,0,0,0,0|1,0,0]=2 2802 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,1,0,0,0,0|1,0,0]=2 2803 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,1,0,0,0,0|1,0,0]=2 2804 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,1,0,0,0,0|1,0,0]=2 2805 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,1,0,0,0,0|1,0,0]=2 2806 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,1,0,0,0,0|2,0,1]=4 2807 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,1,0,0,0,0|2,0,1]=4 2808 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,1,0,0,0,0|2,0,1]=4 2809 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,1,0,0,0,0|2,0,1]=4 2810 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,1,0,0,0,0|1,0,2]=4 2811 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,1,0,0,0,0|1,0,2]=4 2812 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [0,1,0,0,0,0|3,0,0]=4 2813 B12R0.234 C=CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215482 [0,1,0,0,0,0|2,0,0]=3 2814 B12R0.234 C=CCCCCOCCNC(=O)C 34a_100000158858_100011215482 [0,1,0,0,0,0|2,0,0]=3 2815 B12R0.234 C=CCCCCOCCNC(=O)C 7a_100000766645_100000189650 [0,1,0,0,0,0|2,0,0]=3 2816 B12R0.234 C=CCCCCOCCNC(=O)N 34a_100000181757_100011215482 [0,1,0,0,0,0|2,0,0]=3 2817 B12R0.234 C=CCCCCOCCNC(=O)N 7a_100000766645_200000034859 [0,1,0,0,0,0|2,0,0]=3 2818 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [0,1,0,0,0,0|2,0,0]=3 2819 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [0,1,0,0,0,0|2,0,0]=3 2820 B12R0.234 C=CCCCCOCCOC(=O)N 34a_100000766645_200011214921 [0,1,0,0,0,0|2,0,0]=3 2821 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766645_200011214921 [0,1,0,0,0,0|2,0,0]=3 2822 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766696_100011215482 [0,1,0,0,0,0|2,0,0]=3 2823 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011215482_100011217483 [0,1,0,0,0,0|2,0,1]=4 2824 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011217483_100011215482 [0,1,0,0,0,0|2,0,1]=4 2825 B12R0.234 C=CCCCCSCCC=C(F)F 62a_100011215482_200009816681 [0,1,0,0,0,0|2,0,1]=4 2826 B12R0.234 C=CCCCCSCCC=C(F)F 62a_200009816681_100011215482 [0,1,0,0,0,0|2,0,1]=4 2827 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,1,0,0,0,0|1,0,0]=2 2828 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,1,0,0,0,0|1,0,0]=2 2829 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,1,0,0,0,0|1,0,0]=2 2830 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,1,0,0,0,0|1,0,0]=2 2831 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,1,0,0,0,0|2,0,1]=4 2832 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,1,0,0,0,0|2,0,1]=4 2833 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,1,0,0,0,0|1,0,2]=4 2834 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,1,0,0,0,0|1,0,2]=4 2835 B12R0.234 C=CCCCCSCCCN(C)C 62a_100011215482_100000757444 [0,1,0,0,0,0|3,0,0]=4 2836 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100000189650_100011215482 [0,1,0,0,0,0|2,0,0]=3 2837 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100011215482_100000189650 [0,1,0,0,0,0|2,0,0]=3 2838 B12R0.234 C=CCCCCSCCNC(=O)N 62a_100011215482_200000034859 [0,1,0,0,0,0|2,0,0]=3 2839 B12R0.234 C=CCCCCSCCNC(=O)N 62a_200000034859_100011215482 [0,1,0,0,0,0|2,0,0]=3 2840 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [0,1,0,0,0,0|2,0,0]=3 2841 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [0,1,0,0,0,0|2,0,0]=3 2842 B12R0.234 C=CCCCCSCCOC(=O)N 62a_100011215482_200011214921 [0,1,0,0,0,0|2,0,0]=3 2843 B12R0.234 C=CCCCCSCCOC(=O)N 62a_200011214921_100011215482 [0,1,0,0,0,0|2,0,0]=3 2844 B12R0.234 C=CCCCNCCCCB(O)O 2230a_100000700776_200009817182 [0,1,0,0,0,0|2,0,1]=4 2845 B12R0.234 C=CCCCNCCCCB(O)O 34a_100000700776_200009817182 [0,1,0,0,0,0|2,0,1]=4 2846 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,1,0,0,0,0|1,0,0]=2 2847 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,1,0,0,0,0|1,0,0]=2 2848 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,1,0,0,0,0|2,0,1]=4 2849 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,1,0,0,0,0|2,0,1]=4 2850 B12R0.234 C=CCCCNCCCNC(=O)C 34a_100000736810_100000757094 [0,1,0,0,0,0|2,0,0]=3 2851 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [0,1,0,0,0,0|2,0,0]=3 2852 B12R0.234 C=CCCCNCCCOC(=S)C 2230a_100000700776_200135323944 [0,1,0,0,0,0|2,1,0]=4 2853 B12R0.234 C=CCCCNCCCOC(=S)C 34a_100000700776_200135323944 [0,1,0,0,0,0|2,1,0]=4 2854 B12R0.234 C=CCCCNCCCSC(=O)C 2230a_100000700776_100000038929 [0,1,0,0,0,0|2,0,0]=3 2855 B12R0.234 C=CCCCNCCCSC(=O)C 34a_100000700776_100000038929 [0,1,0,0,0,0|2,0,0]=3 2856 B12R0.234 C=CCCCNCCOCC(=O)N 2230a_100000700776_100000076697 [0,1,0,0,0,0|2,0,0]=3 2857 B12R0.234 C=CCCCNCCOCC(=O)N 34a_100000700776_100000076697 [0,1,0,0,0,0|2,0,0]=3 2858 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [0,1,0,0,0,0|2,0,0]=3 2859 B12R0.234 C=CCCCOCCCCB(O)O 34a_100000758997_200009817182 [0,1,0,0,0,0|2,0,1]=4 2860 B12R0.234 C=CCCCOCCCCB(O)O 7a_100000758997_200009817182 [0,1,0,0,0,0|2,0,1]=4 2861 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,1,0,0,0,0|1,0,0]=2 2862 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,1,0,0,0,0|1,0,0]=2 2863 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,1,0,0,0,0|1,0,0]=2 2864 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,1,0,0,0,0|1,0,0]=2 2865 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,1,0,0,0,0|2,0,1]=4 2866 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,1,0,0,0,0|2,0,1]=4 2867 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,1,0,0,0,0|2,0,1]=4 2868 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,1,0,0,0,0|2,0,1]=4 2869 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757094 [0,1,0,0,0,0|2,0,0]=3 2870 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757094 [0,1,0,0,0,0|2,0,0]=3 2871 B12R0.234 C=CCCCOCCCNC(=O)C 34a_100000752032_100000757094 [0,1,0,0,0,0|2,0,0]=3 2872 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [0,1,0,0,0,0|2,0,0]=3 2873 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [0,1,0,0,0,0|2,0,0]=3 2874 B12R0.234 C=CCCCOCCCOC(=S)C 34a_100000758997_200135323944 [0,1,0,0,0,0|2,1,0]=4 2875 B12R0.234 C=CCCCOCCCOC(=S)C 7a_100000758997_200135323944 [0,1,0,0,0,0|2,1,0]=4 2876 B12R0.234 C=CCCCOCCCSC(=O)C 34a_100000758997_100000038929 [0,1,0,0,0,0|2,0,0]=3 2877 B12R0.234 C=CCCCOCCCSC(=O)C 7a_100000758997_100000038929 [0,1,0,0,0,0|2,0,0]=3 2878 B12R0.234 C=CCCCOCCOCC(=O)N 34a_100000758997_100000076697 [0,1,0,0,0,0|2,0,0]=3 2879 B12R0.234 C=CCCCOCCOCC(=O)N 7a_100000758997_100000076697 [0,1,0,0,0,0|2,0,0]=3 2880 B12R0.234 C=CCCCSCCCCB(O)O 62a_100011713584_200009817182 [0,1,0,0,0,0|2,0,1]=4 2881 B12R0.234 C=CCCCSCCCCB(O)O 62a_200009817182_100000757094 [0,1,0,0,0,0|2,0,1]=4 2882 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,1,0,0,0,0|1,0,0]=2 2883 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,1,0,0,0,0|1,0,0]=2 2884 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,1,0,0,0,0|2,0,1]=4 2885 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,1,0,0,0,0|2,0,1]=4 2886 B12R0.234 C=CCCCSCCCCN(C)C 62a_100011713584_100000690147 [0,1,0,0,0,0|3,0,0]=4 2887 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [0,1,0,0,0,0|2,0,0]=3 2888 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [0,1,0,0,0,0|2,0,0]=3 2889 B12R0.234 C=CCCCSCCCOC(=S)C 62a_100011713584_200135323944 [0,1,0,0,0,0|2,1,0]=4 2890 B12R0.234 C=CCCCSCCCOC(=S)C 62a_200135323944_100000757094 [0,1,0,0,0,0|2,1,0]=4 2891 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100000038929_100000757094 [0,1,0,0,0,0|2,0,0]=3 2892 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100011713584_100000038929 [0,1,0,0,0,0|2,0,0]=3 2893 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100000076697_100000757094 [0,1,0,0,0,0|2,0,0]=3 2894 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100011713584_100000076697 [0,1,0,0,0,0|2,0,0]=3 2895 B12R0.234 C=CCCNCCCCCB(O)O 2230a_100015191253_200009817188 [0,1,0,0,0,0|2,0,1]=4 2896 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,1,0,0,0,0|1,0,0]=2 2897 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,1,0,0,0,0|2,0,1]=4 2898 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,1,0,0,0,0|2,0,1]=4 2899 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,1,0,0,0,0|2,0,1]=4 2900 B12R0.234 C=CCCNCCCCNC(=O)C 2230a_200011368371_100000754431 [0,1,0,0,0,0|2,0,0]=3 2901 B12R0.234 C=CCCNCCCCNC(=O)C 34a_200011368371_100000754431 [0,1,0,0,0,0|2,0,0]=3 2902 B12R0.234 C=CCCNCCCCSC(=O)C 2230a_100015191253_200010402107 [0,1,0,0,0,0|2,0,0]=3 2903 B12R0.234 C=CCCOCCCCCB(O)O 34a_100011205117_200009817188 [0,1,0,0,0,0|2,0,1]=4 2904 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,1,0,0,0,0|1,0,0]=2 2905 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,1,0,0,0,0|1,0,0]=2 2906 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,1,0,0,0,0|1,0,0]=2 2907 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,1,0,0,0,0|1,0,0]=2 2908 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,1,0,0,0,0|2,0,1]=4 2909 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,1,0,0,0,0|2,0,1]=4 2910 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,1,0,0,0,0|2,0,1]=4 2911 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [0,1,0,0,0,0|2,0,0]=3 2912 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [0,1,0,0,0,0|2,0,0]=3 2913 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [0,1,0,0,0,0|2,0,0]=3 2914 B12R0.234 C=CCCOCCCCO[N+](=O)[O-] 34a_100011205117_100015694321 [0,1,0,0,0,0|3,0,0]=4 2915 B12R0.234 C=CCCOCCCCSC(=O)C 34a_100011205117_200010402107 [0,1,0,0,0,0|2,0,0]=3 2916 B12R0.234 C=CCCOCOCCOC(=O)C 34a_100011205117_100000076355 [0,1,0,0,0,0|3,0,0]=4 2917 B12R0.234 C=CCCSCCCCCB(O)O 62a_100000754431_200009817188 [0,1,0,0,0,0|2,0,1]=4 2918 B12R0.234 C=CCCSCCCCCB(O)O 62a_200009817188_100000754431 [0,1,0,0,0,0|2,0,1]=4 2919 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,1,0,0,0,0|1,0,0]=2 2920 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,1,0,0,0,0|1,0,0]=2 2921 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,1,0,0,0,0|2,0,1]=4 2922 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,1,0,0,0,0|2,0,1]=4 2923 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [0,1,0,0,0,0|2,0,0]=3 2924 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [0,1,0,0,0,0|2,0,0]=3 2925 B12R0.234 C=CCCSCCCCO[N+](=O)[O-] 62a_100000754431_100015694321 [0,1,0,0,0,0|3,0,0]=4 2926 B12R0.234 C=CCCSCCCCSC(=O)C 62a_100000754431_200010402107 [0,1,0,0,0,0|2,0,0]=3 2927 B12R0.234 C=CCCSCCCCSC(=O)C 62a_200010402107_100000754431 [0,1,0,0,0,0|2,0,0]=3 2928 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000076355_100000754431 [0,1,0,0,0,0|3,0,0]=4 2929 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000754431_100000076355 [0,1,0,0,0,0|3,0,0]=4 2930 B12R0.234 C=CCNCCCCCCB(O)O 2230a_100020586998_100009817187 [0,1,0,0,0,0|2,0,1]=4 2931 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,1,0,0,0,0|2,0,1]=4 2932 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,1,0,0,0,0|2,0,1]=4 2933 B12R0.234 C=CCNCCCCCNC(=O)C 2230a_200012022750_100000210623 [0,1,0,0,0,0|2,0,0]=3 2934 B12R0.234 C=CCNCCCCCNC(=O)C 34a_200012022750_100015514636 [0,1,0,0,0,0|2,0,0]=3 2935 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [0,1,0,0,0,0|2,0,0]=3 2936 B12R0.234 C=CCNCCOCCOC(=O)C 2230a_100020586998_200000083610 [0,1,0,0,0,0|3,0,0]=4 2937 B12R0.234 C=CCOCCCCCCB(O)O 34a_200000210373_100009817187 [0,1,0,0,0,0|2,0,1]=4 2938 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [0,1,0,0,0,0|2,0,0]=3 2939 B12R0.234 C=CCOCCOCCCC(=O)C 34a_100000037705_100000685027 [0,1,0,0,0,0|2,0,0]=3 2940 B12R0.234 C=CCOCCOCCCC(=O)C 7a_100000037705_100011215641 [0,1,0,0,0,0|2,0,0]=3 2941 B12R0.234 C=CCOCCOCCCC(=O)N 34a_100000037705_100102525003 [0,1,0,0,0,0|2,0,0]=3 2942 B12R0.234 C=CCOCCOCCCC(=O)N 7a_100000037705_100102525003 [0,1,0,0,0,0|2,0,0]=3 2943 B12R0.234 C=CCOCCOCCNC(=O)C 7a_100000037705_100000189650 [0,1,0,0,0,0|3,0,0]=4 2944 B12R0.234 C=CCOCCOCCNC(=O)N 7a_100000037705_200000034859 [0,1,0,0,0,0|3,0,0]=4 2945 B12R0.234 C=CCOCCOCCOC(=O)C 34a_100000037705_100009814007 [0,1,0,0,0,0|3,0,0]=4 2946 B12R0.234 C=CCOCCOCCOC(=O)C 34a_200000210373_200000083610 [0,1,0,0,0,0|3,0,0]=4 2947 B12R0.234 C=CCOCCOCCOC(=O)C 7a_100000037705_100009814007 [0,1,0,0,0,0|3,0,0]=4 2948 B12R0.234 C=CCOCCOCCOC(=O)N 34a_100000037705_200011214921 [0,1,0,0,0,0|3,0,0]=4 2949 B12R0.234 C=CCOCCOCCOC(=O)N 7a_100000037705_200011214921 [0,1,0,0,0,0|3,0,0]=4 2950 B12R0.234 C=CCSCCCCCCB(O)O 62a_100000210623_100009817187 [0,1,0,0,0,0|2,0,1]=4 2951 B12R0.234 C=CCSCCCCCCB(O)O 62a_100009817187_100000210623 [0,1,0,0,0,0|2,0,1]=4 2952 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [0,1,0,0,0,0|2,0,0]=3 2953 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [0,1,0,0,0,0|2,0,0]=3 2954 B12R0.234 C=CCSCCOCCOC(=O)C 62a_100000210623_200000083610 [0,1,0,0,0,0|3,0,0]=4 2955 B12R0.234 C=CCSCCOCCOC(=O)C 62a_200000083610_100000210623 [0,1,0,0,0,0|3,0,0]=4 2956 B12R0.234 C=COCCCCOCCC(=C)C 34a_100000031558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2957 B12R0.234 C=COCCCCOCCC(=C)C 7a_100000031558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2958 B12R0.234 C=COCCCCOCCC(=O)C 7a_100000031558_100000053229 [0,1,0,0,0,0|2,0,0]=3 2959 B12R0.234 C=COCCCCOCCC(=O)N 34a_100000031558_100000731001 [0,1,0,0,0,0|2,0,0]=3 2960 B12R0.234 C=COCCCCOCCC(=O)N 7a_100000031558_100000744528 [0,1,0,0,0,0|2,0,0]=3 2961 B12R0.234 C=COCCCCOCOC(=O)C 34a_100000031558_100009813279 [0,1,0,0,0,0|3,0,0]=4 2962 B12R0.234 C=COCCCNCCCC(=O)C 34a_100000210767_100000685027 [0,1,0,0,0,0|2,0,0]=3 2963 B12R0.234 C=COCCCNCCCC(=O)N 34a_100000210767_100102525003 [0,1,0,0,0,0|2,0,0]=3 2964 B12R0.234 C=COCCCNCCNC(=O)C 2230a_100000210767_100000189650 [0,1,0,0,0,0|3,0,0]=4 2965 B12R0.234 C=COCCCNCCNC(=O)N 2230a_100000210767_200000034859 [0,1,0,0,0,0|3,0,0]=4 2966 B12R0.234 C=COCCCNCCOC(=O)C 34a_100000210767_100009814007 [0,1,0,0,0,0|3,0,0]=4 2967 B12R0.234 C=COCCCNCCOC(=O)N 34a_100000210767_200011214921 [0,1,0,0,0,0|3,0,0]=4 2968 B12R0.234 C=COCCNCCCCC(=O)N 34a_100000696515_100000039644 [0,1,0,0,0,0|2,0,0]=3 2969 B12R0.234 C=COCCNCCCNC(=O)C 34a_100000736810_100000039644 [0,1,0,0,0,0|3,0,0]=4 2970 B12R0.234 C=COCCNCCOCC(=O)O 269956a_100000700818_100000039644 [0,1,0,0,0,0|3,0,0]=4 2971 B12R0.234 C=COCCOCCCCC(=O)C 34a_100000033082_100009817362 [0,1,0,0,0,0|2,0,0]=3 2972 B12R0.234 C=COCCOCCCCC(=O)N 34a_100012022536_100000039644 [0,1,0,0,0,0|2,0,0]=3 2973 B12R0.234 C=COCCOCCCCC(=O)N 7a_100012022536_100000039644 [0,1,0,0,0,0|2,0,0]=3 2974 B12R0.234 C=COCCOCCCC[N+](=O)[O-] 34a_200015379883_100000039644 [0,1,0,0,0,0|3,0,0]=4 2975 B12R0.234 C=COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000039644 [0,1,0,0,0,0|3,0,0]=4 2976 B12R0.234 C=COCCOCCCNC(=O)C 34a_100000752032_100000039644 [0,1,0,0,0,0|3,0,0]=4 2977 B12R0.234 C=COCCOCCCOC(=O)C 34a_100000033082_100000042594 [0,1,0,0,0,0|3,0,0]=4 2978 B12R0.234 C=COCCOCCCSC(=O)C 34a_100000033082_100000038929 [0,1,0,0,0,0|3,0,0]=4 2979 B12R0.234 C=COCCOCCOCC(=O)N 34a_100000033082_100000076697 [0,1,0,0,0,0|3,0,0]=4 2980 B12R0.234 C=COCCOCCOCC(=O)N 34a_100000039918_100000187820 [0,1,0,0,0,0|3,0,0]=4 2981 B12R0.234 C=COCCOCCOCC(=O)N 7a_100000039918_100000187820 [0,1,0,0,0,0|3,0,0]=4 2982 B12R0.234 C=COCCOCCOCC(=O)[O-] 34a_100000039918_100020667443 [0,1,0,0,0,0|3,0,0]=4 2983 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000039644_100000735457 [0,1,0,0,0,0|2,0,0]=3 2984 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000735457_100000039644 [0,1,0,0,0,0|2,0,0]=3 2985 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000039644_100000042594 [0,1,0,0,0,0|3,0,0]=4 2986 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000042594_100000039644 [0,1,0,0,0,0|3,0,0]=4 2987 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000038929_100000039644 [0,1,0,0,0,0|3,0,0]=4 2988 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000039644_100000038929 [0,1,0,0,0,0|3,0,0]=4 2989 B12R0.234 C=COCCSCCOCC(=O)N 62a_100000039644_100000076697 [0,1,0,0,0,0|3,0,0]=4 2990 B12R0.234 C=COCCSCCOCC(=O)N 62a_100000076697_100000039644 [0,1,0,0,0,0|3,0,0]=4 2991 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,1,0,0,0,0|0,0,3]=4 2992 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,1,0,0,0,0|0,0,3]=4 2993 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100000139335_100011217483 [0,1,0,0,0,0|1,0,2]=4 2994 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100011217483_100000139335 [0,1,0,0,0,0|1,0,2]=4 2995 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000139337_100000761012 [0,1,0,0,0,0|1,0,2]=4 2996 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000761012_100000139337 [0,1,0,0,0,0|1,0,2]=4 2997 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,1]=3 2998 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|1,0,1]=3 2999 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,1]=4 3000 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|2,0,1]=4 3001 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|2,0,1]=4 3002 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|2,0,1]=4 3003 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|2,0,1]=4 3004 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|2,0,1]=4 3005 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|2,0,1]=4 3006 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,1]=4 3007 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,1,0,0,0,0|2,0,1]=4 3008 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,1,0,0,0,0|2,0,1]=4 3009 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,1,0,0,0,0|1,0,1]=3 3010 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,1,0,0,0,0|1,0,1]=3 3011 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|2,0,1]=4 3012 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|2,0,1]=4 3013 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|2,0,1]=4 3014 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|2,0,1]=4 3015 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 3016 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,1,0,0,0,0|2,0,1]=4 3017 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,1,0,0,0,0|1,0,1]=3 3018 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,1]=4 3019 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,1]=4 3020 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,1]=4 3021 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 3022 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 3023 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 3024 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,1]=4 3025 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,1]=4 3026 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 3027 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|2,0,1]=4 3028 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|2,0,1]=4 3029 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,1,0,0,0,0|2,0,1]=4 3030 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,1,0,0,0,0|2,0,1]=4 3031 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,1,0,0,0,0|1,0,1]=3 3032 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,1,0,0,0,0|1,0,1]=3 3033 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,1]=4 3034 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,1]=4 3035 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 3036 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|2,0,1]=4 3037 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,1,0,0,0,0|2,0,1]=4 3038 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,1,0,0,0,0|1,0,1]=3 3039 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,1]=4 3040 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 3041 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 3042 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,1]=4 3043 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 3044 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|2,0,1]=4 3045 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|2,0,1]=4 3046 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,1,0,0,0,0|2,0,1]=4 3047 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,1,0,0,0,0|2,0,1]=4 3048 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,1,0,0,0,0|1,0,1]=3 3049 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,1,0,0,0,0|1,0,1]=3 3050 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,1]=4 3051 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,1]=4 3052 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|2,0,1]=4 3053 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 3054 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|2,0,1]=4 3055 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|2,0,1]=4 3056 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,1,0,0,0,0|2,0,1]=4 3057 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,1,0,0,0,0|2,0,1]=4 3058 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,1,0,0,0,0|2,0,1]=4 3059 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,1,0,0,0,0|2,0,1]=4 3060 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,1,0,0,0,0|2,0,1]=4 3061 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,1,0,0,0,0|2,0,1]=4 3062 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,1,0,0,0,0|2,0,1]=4 3063 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,1,0,0,0,0|2,0,1]=4 3064 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,1,0,0,0,0|2,0,1]=4 3065 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,1,0,0,0,0|2,0,1]=4 3066 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,1,0,0,0,0|2,0,1]=4 3067 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,1,0,0,0,0|2,0,1]=4 3068 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,1,0,0,0,0|2,0,1]=4 3069 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,1,0,0,0,0|2,0,1]=4 3070 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,1,0,0,0,0|2,0,1]=4 3071 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200011292268_200135323944 [0,1,0,0,0,0|2,0,1]=4 3072 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200135323944_200011292268 [0,1,0,0,0,0|2,0,1]=4 3073 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [0,1,0,0,0,0|1,0,2]=4 3074 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [0,1,0,0,0,0|1,0,2]=4 3075 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [0,1,0,0,0,0|1,0,2]=4 3076 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [0,1,0,0,0,0|1,0,2]=4 3077 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [0,1,0,0,0,0|1,0,2]=4 3078 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [0,1,0,0,0,0|1,0,2]=4 3079 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [0,1,0,0,0,0|1,0,2]=4 3080 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [0,1,0,0,0,0|1,0,2]=4 3081 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [0,1,0,0,0,0|1,0,2]=4 3082 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [0,1,0,0,0,0|1,0,2]=4 3083 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [0,1,0,0,0,0|1,0,2]=4 3084 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [0,1,0,0,0,0|1,0,2]=4 3085 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,1,0,0,0,0|1,0,2]=4 3086 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,1,0,0,0,0|1,0,2]=4 3087 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,1,0,0,0,0|1,0,2]=4 3088 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,1,0,0,0,0|1,0,2]=4 3089 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,1,0,0,0,0|1,0,2]=4 3090 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,1,0,0,0,0|1,0,2]=4 3091 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,1,0,0,0,0|1,0,2]=4 3092 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 3093 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 3094 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,1,0,0,0,0|1,0,2]=4 3095 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,1,0,0,0,0|1,0,2]=4 3096 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,1,0,0,0,0|1,0,2]=4 3097 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|0,0,2]=3 3098 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|0,0,2]=3 3099 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|0,0,2]=3 3100 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 3101 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 3102 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 3103 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,2]=4 3104 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,2]=4 3105 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,2]=4 3106 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,2]=4 3107 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|1,0,2]=4 3108 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|1,0,2]=4 3109 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|1,0,2]=4 3110 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|1,0,2]=4 3111 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 3112 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 3113 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|1,0,2]=4 3114 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|1,0,2]=4 3115 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,2]=4 3116 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,2]=4 3117 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|1,0,2]=4 3118 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|1,0,2]=4 3119 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,2]=4 3120 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 3121 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,2]=4 3122 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 3123 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,2]=4 3124 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 3125 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,2]=4 3126 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 3127 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,2]=4 3128 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,2]=4 3129 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,2]=4 3130 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,2]=4 3131 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,2]=4 3132 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,2]=4 3133 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 3134 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,2]=4 3135 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 3136 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 3137 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 3138 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,2]=4 3139 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,2]=4 3140 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,2]=4 3141 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,2]=4 3142 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,2]=4 3143 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,2]=4 3144 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,2]=4 3145 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,2]=4 3146 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,2]=4 3147 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,2]=4 3148 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,2]=4 3149 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,2]=4 3150 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,2]=4 3151 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,2]=4 3152 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 3153 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,2]=4 3154 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 3155 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|1,0,2]=4 3156 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,2]=4 3157 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,2]=4 3158 B12R0.234 CN(C)CCCCSCCCC=O 62a_200011292268_100000690147 [0,1,0,0,0,0|2,0,1]=4 3159 B12R0.234 CN(C)CCCSCCCCC=O 62a_100000139335_100000757444 [0,1,0,0,0,0|2,0,1]=4 3160 B12R0.234 CN(C)CCSCCCCCC=O 62a_100000139337_100000755713 [0,1,0,0,0,0|2,0,1]=4 3161 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,0,0,0,0|2,0,1]=4 3162 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,1,0,0,0,0|2,0,1]=4 3163 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|2,0,1]=4 3165 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,0,0,0,0|2,0,1]=4 3166 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,0,0,0,0|2,0,1]=4 3167 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,0,0,0,0|2,0,1]=4 3168 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,0,0,0,0|2,0,1]=4 3169 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,0,0,0,0|2,0,1]=4 3170 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,0,0,0,0|2,0,1]=4 3171 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,0,0,0,0|2,0,1]=4 3172 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,0,0,0,0|2,0,1]=4 3173 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,0,0,0,0|2,0,1]=4 3174 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,0,0,0,0|2,0,1]=4 3175 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,0,0,0,0|2,0,1]=4 3176 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,0,0,0,0|2,0,1]=4 3177 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,0,0,0,0|2,0,1]=4 3178 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,0,0,0,0|2,0,1]=4 3179 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,0,0,0,0|2,0,1]=4 3180 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,0,0,0,0|2,0,1]=4 3181 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,0,0,0,0|2,0,1]=4 3182 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,0,0,0,0|2,0,1]=4 3183 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,0,0,0,0|2,0,1]=4 3184 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,1,0,0,0,0|2,0,1]=4 3185 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,1,0,0,0,0|2,0,1]=4 3186 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,1,0,0,0,0|2,0,1]=4 3187 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,1,0,0,0,0|2,0,1]=4 3188 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,1,0,0,0,0|2,0,1]=4 3189 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,1,0,0,0,0|2,0,1]=4 3190 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,1,0,0,0,0|2,0,1]=4 3191 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,1,0,0,0,0|2,0,1]=4 3192 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,0,0,0,0|2,0,1]=4 3193 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,0,0,0,0|2,0,1]=4 3194 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,0,0,0,0|2,0,1]=4 3195 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,0,0,0,0|2,0,1]=4 3196 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,1,0,0,0,0|2,0,1]=4 3197 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,1,0,0,0,0|2,0,1]=4 3198 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [0,1,0,0,0,0|2,0,1]=4 3199 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,0,0,0,0|2,0,1]=4 3200 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,0,0,0,0|2,0,1]=4 3201 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,0,0,0,0|2,0,1]=4 3202 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,0,0,0,0|2,0,1]=4 3203 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,1,0,0,0,0|2,0,1]=4 3204 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,1,0,0,0,0|2,0,1]=4 3205 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,1,0,0,0,0|2,0,1]=4 3206 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,1,0,0,0,0|2,0,1]=4 3207 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,1,0,0,0,0|2,0,1]=4 3208 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,1,0,0,0,0|2,0,1]=4 3209 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,1,0,0,0,0|2,0,1]=4 3210 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,1,0,0,0,0|2,0,1]=4 3211 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,1,0,0,0,0|2,0,1]=4 3212 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,1,0,0,0,0|2,0,1]=4 3213 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,1,0,0,0,0|2,0,1]=4 3214 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,1,0,0,0,0|2,0,1]=4 3215 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,1,0,0,0,0|2,0,1]=4 3216 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,1,0,0,0,0|2,0,1]=4 3217 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,1,0,0,0,0|2,0,1]=4 3218 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,1,0,0,0,0|2,0,1]=4 3219 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,1,0,0,0,0|2,0,1]=4 3220 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,1,0,0,0,0|2,0,1]=4 3221 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,1,0,0,0,0|2,0,1]=4 3222 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,1,0,0,0,0|2,0,1]=4 3223 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,1,0,0,0,0|2,0,1]=4 3224 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,1,0,0,0,0|2,0,1]=4 3225 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,1,0,0,0,0|2,0,1]=4 3226 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,1,0,0,0,0|2,0,1]=4 3227 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,1,0,0,0,0|2,0,1]=4 3228 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,1,0,0,0,0|2,0,1]=4 3229 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,0,0,0,0|2,0,1]=4 3230 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,0,0,0,0|2,0,1]=4 3231 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,0,0,0,0|2,0,1]=4 3232 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,0,0,0,0|2,0,1]=4 3233 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,0,0,0,0|2,0,1]=4 3234 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,0,0,0,0|2,0,1]=4 3235 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,0,0,0,0|2,0,1]=4 3236 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|2,0,1]=4 3237 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|2,0,1]=4 3238 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,0,0,0,0|2,0,1]=4 3239 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,0,0,0,0|2,0,1]=4 3240 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|2,0,1]=4 3241 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|2,0,1]=4 3242 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,0,0,0,0|2,0,1]=4 3243 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|2,0,1]=4 3244 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,1,0,0,0,0|2,0,0]=3 3245 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,0,0,0,0|2,0,1]=4 3246 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,0,0,0,0|2,0,1]=4 3247 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|2,0,1]=4 3248 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|2,0,1]=4 3249 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|2,0,1]=4 3250 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,1]=4 3251 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,1]=4 3252 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|2,0,1]=4 3253 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|2,0,1]=4 3254 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 3255 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 3256 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|2,0,1]=4 3257 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|2,0,1]=4 3258 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,1,0,0,0,0|2,0,0]=3 3259 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,1,0,0,0,0|2,0,0]=3 3260 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|2,0,1]=4 3261 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|2,0,1]=4 3262 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 3263 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,1]=4 3264 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,1]=4 3265 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,1]=4 3266 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,1,0,0,0,0|2,0,0]=3 3267 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|2,0,1]=4 3268 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|2,0,1]=4 3269 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|2,0,1]=4 3270 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|2,0,1]=4 3271 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|2,0,1]=4 3272 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|2,0,1]=4 3273 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|2,0,1]=4 3274 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|2,0,1]=4 3275 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 3276 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 3277 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,1,0,0,0,0|2,0,0]=3 3278 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,1,0,0,0,0|2,0,0]=3 3279 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|2,0,1]=4 3280 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|2,0,1]=4 3281 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,1]=4 3282 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,1]=4 3283 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,1]=4 3284 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,1]=4 3285 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,1]=4 3286 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|2,0,1]=4 3287 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|2,0,1]=4 3288 B12R0.234 NC(=O)COCCSCCCC=O 62a_100000076697_200011292268 [0,1,0,0,0,0|3,0,0]=4 3289 B12R0.234 NC(=O)COCCSCCCC=O 62a_200011292268_100000076697 [0,1,0,0,0,0|3,0,0]=4 3290 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,1]=4 3291 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,1]=4 3292 B12R0.234 NC(=O)NCCSCCCCC=O 62a_100000139335_200000034859 [0,1,0,0,0,0|3,0,0]=4 3293 B12R0.234 NC(=O)NCCSCCCCC=O 62a_200000034859_100000139335 [0,1,0,0,0,0|3,0,0]=4 3294 B12R0.234 NC(=O)OCCOCCCCC=O 7a_100000766696_100000139335 [0,1,0,0,0,0|3,0,0]=4 3295 B12R0.234 NC(=O)OCCSCCCCC=O 62a_100000139335_200011214921 [0,1,0,0,0,0|3,0,0]=4 3296 B12R0.234 NC(=O)OCCSCCCCC=O 62a_200011214921_100000139335 [0,1,0,0,0,0|3,0,0]=4 3297 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,1]=4 3298 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,1]=4 3299 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,1]=4 3300 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,1]=4 3301 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,0,0,0,0|2,0,1]=4 3302 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,1,0,0,0,0|3,0,0]=4 3303 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|2,0,1]=4 3304 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,0,0,0,0|2,0,1]=4 3305 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,1]=4 3307 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|2,0,1]=4 3308 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|2,0,1]=4 3309 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|2,0,1]=4 3310 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [0,1,0,0,0,0|3,0,0]=4 3311 B12R0.234 O=CCCCCSCCC=C(F)F 62a_100000139335_200009816681 [0,1,0,0,0,0|2,0,1]=4 3312 B12R0.234 O=CCCCCSCCC=C(F)F 62a_200009816681_100000139335 [0,1,0,0,0,0|2,0,1]=4 3313 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [0,1,0,0,0,0|3,0,0]=4 3314 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_200011292268 [0,1,0,0,0,0|3,0,0]=4 3315 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [0,1,0,0,0,0|3,0,0]=4 3316 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [0,1,0,0,0,0|3,0,0]=4 3317 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [0,1,0,0,0,0|3,0,0]=4 3318 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [0,1,0,0,0,0|3,0,0]=4 3319 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,1]=3 3320 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,1,0,0,0,0|1,0,2]=4 3321 B12R0.248 C#CC(C)NCCCCCCC=C 2230a_100000707721_100011215473 [0,1,0,0,0,0|2,0,1]=4 3322 B12R0.248 C#CC(C)NCCCCCCC=C 34a_100000707721_100011215473 [0,1,0,0,0,0|2,0,1]=4 3323 B12R0.248 C#CC(C)OCCCCCCC=C 34a_200011216477_200000035995 [0,1,0,0,0,0|2,0,1]=4 3324 B12R0.248 C#CC(C)SCCCCCCC=C 62a_200000035995_100011215473 [0,1,0,0,0,0|2,0,1]=4 3325 B12R0.248 C#CC(O)CCCCCNCC=C 2230a_100020586998_200010408556 [0,1,0,0,0,0|2,0,1]=4 3326 B12R0.248 C#CC(O)CCCCCOCC=C 34a_200000210373_200010408556 [0,1,0,0,0,0|2,0,1]=4 3327 B12R0.248 C#CC(O)CCCCCSCC=C 62a_100000210623_200010408556 [0,1,0,0,0,0|2,0,1]=4 3328 B12R0.248 C#CC(O)CCCCCSCC=C 62a_200010408556_100000210623 [0,1,0,0,0,0|2,0,1]=4 3329 B12R0.248 C#CC(O)CCCCCSCC=O 62a_200010408556_200015260668 [0,1,0,0,0,0|1,0,2]=4 3330 B12R0.248 C#CC(O)CCCCCSCC=O 62a_200015260668_200010408556 [0,1,0,0,0,0|1,0,2]=4 3331 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,1,0,0,0,0|1,0,2]=4 3332 B12R0.248 C#CCCCCCCOC(C)C=C 34a_100000695699_100012276617 [0,1,0,0,0,0|2,0,1]=4 3333 B12R0.248 C#CCCCCCCSC(C)C=C 62a_100011215867_100012276617 [0,1,0,0,0,0|2,0,1]=4 3334 B12R0.248 C#CCCCCCOCC(C)C=C 34a_100011215527_100012094781 [0,1,0,0,0,0|2,0,1]=4 3335 B12R0.248 C#CCCCCCOCC(C)C=C 7a_100011215527_100012094781 [0,1,0,0,0,0|2,0,1]=4 3336 B12R0.248 C#CCCCCCOCC(O)C=C 34a_100000766912_100000730141 [0,1,0,0,0,0|2,0,1]=4 3337 B12R0.248 C#CCCCCCOCC(O)C=C 7a_100000766912_100000730141 [0,1,0,0,0,0|2,0,1]=4 3338 B12R0.248 C#CCCCCCOC[C@@H](N)C=C 34a_100016989147_100012094781 [0,1,0,0,0,0|2,0,1]=4 3339 B12R0.248 C#CCCCCCSCC(O)C=C 62a_100000730141_100012094781 [0,1,0,0,0,0|2,0,1]=4 3340 B12R0.248 C#CCCCCCSCC(O)C=C 62a_100012094781_100000730141 [0,1,0,0,0,0|2,0,1]=4 3341 B12R0.248 C#C[C@@H](C)OCCCCCCC=C 34a_100009815206_100011215473 [0,1,0,0,0,0|2,0,1]=4 3342 B12R0.248 C#C[C@@H](C)OCCCCCCC=C 7a_100009815206_100011215473 [0,1,0,0,0,0|2,0,1]=4 3343 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,2]=4 3344 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|0,0,3]=4 3345 B12R0.248 C=CC(=O)NCCCCOCC=O 34a_100014118770_200009817547 [0,1,0,0,0,0|2,0,1]=4 3346 B12R0.248 C=CC(=O)NCCNCCCC=O 2230a_114873766552_200011292268 [0,1,0,0,0,0|2,0,1]=4 3347 B12R0.248 C=CC(=O)OCCSCCCC=O 62a_100009813456_200011292268 [0,1,0,0,0,0|2,0,1]=4 3348 B12R0.248 C=CC(=O)OCCSCCCC=O 62a_200011292268_100009813456 [0,1,0,0,0,0|2,0,1]=4 3349 B12R0.248 C=CC(C)COCCCCCC#N 7a_100011215527_100009813376 [0,1,0,0,0,0|2,0,1]=4 3350 B12R0.248 C=CC(C)COCCCCCC=O 7a_100011215527_100000139337 [0,1,0,0,0,0|1,0,0]=2 3351 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,1,0,0,0,0|2,0,1]=4 3352 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,1,0,0,0,0|2,0,1]=4 3353 B12R0.248 C=CC(C)COCCCCCCF 34a_100011215527_100015922095 [0,1,0,0,0,0|2,0,1]=4 3354 B12R0.248 C=CC(C)COCCCCCCF 7a_100011215527_100015922095 [0,1,0,0,0,0|2,0,1]=4 3355 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [0,1,0,0,0,0|1,0,2]=4 3356 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [0,1,0,0,0,0|1,0,2]=4 3357 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,1,0,0,0,0|2,0,1]=4 3358 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,1,0,0,0,0|1,0,2]=4 3359 B12R0.248 C=CC(C)OCCCCCCOC 34a_100000695699_100011998445 [0,1,0,0,0,0|3,0,0]=4 3360 B12R0.248 C=CC(C)SCCCCCCC#N 62a_100011215867_100009813337 [0,1,0,0,0,0|2,0,1]=4 3361 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,1,0,0,0,0|2,0,1]=4 3362 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [0,1,0,0,0,0|1,0,2]=4 3363 B12R0.248 C=CC(C)SCCCCCCOC 62a_100011215867_100011998445 [0,1,0,0,0,0|3,0,0]=4 3364 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,1,0,0,0,0|2,0,1]=4 3365 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,1,0,0,0,0|1,0,2]=4 3366 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,1,0,0,0,0|1,0,2]=4 3367 B12R0.248 C=CC(O)CNCCCCCOC 2230a_100000747528_100000730141 [0,1,0,0,0,0|3,0,0]=4 3368 B12R0.248 C=CC(O)CNCCCCCOC 34a_100000747528_100000730141 [0,1,0,0,0,0|3,0,0]=4 3369 B12R0.248 C=CC(O)COCCCCCCBr 34a_100011215345_100000730141 [0,1,0,0,0,0|2,0,1]=4 3370 B12R0.248 C=CC(O)COCCCCCCBr 7a_100011215345_100000730141 [0,1,0,0,0,0|2,0,1]=4 3371 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,1,0,0,0,0|2,0,1]=4 3372 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,1,0,0,0,0|2,0,1]=4 3373 B12R0.248 C=CC(O)COCCCCCCCl 34a_100000766143_100000730141 [0,1,0,0,0,0|2,0,1]=4 3374 B12R0.248 C=CC(O)COCCCCCCCl 7a_100000766143_100000730141 [0,1,0,0,0,0|2,0,1]=4 3375 B12R0.248 C=CC(O)COCCCCCCF 34a_100000732779_100000730141 [0,1,0,0,0,0|2,0,1]=4 3376 B12R0.248 C=CC(O)COCCCCCCF 7a_100000732779_100000730141 [0,1,0,0,0,0|2,0,1]=4 3377 B12R0.248 C=CC(O)COCCCCCCN 34a_100000686447_100000730141 [0,1,0,0,0,0|2,0,1]=4 3378 B12R0.248 C=CC(O)COCCCCCNC 34a_100000722520_100000730141 [0,1,0,0,0,0|3,0,0]=4 3379 B12R0.248 C=CC(O)CSCCCCCC#N 62a_100000730141_100009813376 [0,1,0,0,0,0|2,0,1]=4 3380 B12R0.248 C=CC(O)CSCCCCCC#N 62a_100009813376_100000730141 [0,1,0,0,0,0|2,0,1]=4 3381 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000139337_100000730141 [0,1,0,0,0,0|1,0,0]=2 3382 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000730141_100000139337 [0,1,0,0,0,0|1,0,0]=2 3383 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,1,0,0,0,0|2,0,1]=4 3384 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,1,0,0,0,0|2,0,1]=4 3385 B12R0.248 C=CC(O)CSCCCCCCF 62a_100000730141_100015922095 [0,1,0,0,0,0|2,0,1]=4 3386 B12R0.248 C=CC(O)CSCCCCCCF 62a_100015922095_100000730141 [0,1,0,0,0,0|2,0,1]=4 3387 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,1,0,0,0,0|1,0,2]=4 3388 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,1,0,0,0,0|1,0,2]=4 3389 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,1,0,0,0,0|1,0,1]=3 3390 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,2]=4 3391 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,2]=4 3392 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|1,0,2]=4 3393 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|0,0,3]=4 3394 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|2,0,1]=4 3395 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 3396 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 3397 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 3398 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,1,0,0,0,0|2,0,1]=4 3399 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,1,0,0,0,0|2,0,1]=4 3400 B12R0.248 C=CCCCCCCNC(C)C#N 2230a_100000737613_100011215473 [0,1,0,0,0,0|2,0,1]=4 3401 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [0,1,0,0,0,0|2,0,1]=4 3402 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [0,1,0,0,0,0|1,0,2]=4 3403 B12R0.248 C=CCCCCCCOC(C)C#N 34a_100011218135_100011215473 [0,1,0,0,0,0|2,0,1]=4 3404 B12R0.248 C=CCCCCCCOC(C)C#N 7a_200011216477_100000703298 [0,1,0,0,0,0|2,0,1]=4 3405 B12R0.248 C=CCCCCCCOC(C)C=C 34a_100000695699_100011215473 [0,1,0,0,0,0|2,0,0]=3 3406 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [0,1,0,0,0,0|2,0,1]=4 3407 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [0,1,0,0,0,0|2,0,1]=4 3408 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [0,1,0,0,0,0|2,0,1]=4 3409 B12R0.248 C=CCCCCCCOC(C)CF 34a_100016041109_100011215473 [0,1,0,0,0,0|2,0,1]=4 3410 B12R0.248 C=CCCCCCCOC(C)CF 7a_100016041109_100011215473 [0,1,0,0,0,0|2,0,1]=4 3411 B12R0.248 C=CCCCCCCOC(C)CN 34a_100000210904_100011215473 [0,1,0,0,0,0|2,0,1]=4 3412 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [0,1,0,0,0,0|1,0,2]=4 3413 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [0,1,0,0,0,0|1,0,2]=4 3414 B12R0.248 C=CCCCCCCSC(C)C#N 62a_100000703298_100011215473 [0,1,0,0,0,0|2,0,1]=4 3415 B12R0.248 C=CCCCCCCSC(C)C#N 62a_100011215473_100000703298 [0,1,0,0,0,0|2,0,1]=4 3416 B12R0.248 C=CCCCCCCSC(C)C=C 62a_100011215867_100011215473 [0,1,0,0,0,0|2,0,0]=3 3417 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [0,1,0,0,0,0|2,0,1]=4 3418 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [0,1,0,0,0,0|2,0,1]=4 3419 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [0,1,0,0,0,0|1,0,2]=4 3420 B12R0.248 C=CCCCCCCSC(C)OC 62a_100009879195_100011215473 [0,1,0,0,0,0|3,0,0]=4 3421 B12R0.248 C=CCCCCCCSC(C)OC 62a_100011215473_100009879195 [0,1,0,0,0,0|3,0,0]=4 3422 B12R0.248 C=CCCCCCCSC(F)C#N 62a_100011215473_200000117898 [0,1,0,0,0,0|2,0,1]=4 3423 B12R0.248 C=CCCCCCCSC(F)C#N 62a_200000117898_100011215473 [0,1,0,0,0,0|2,0,1]=4 3424 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [0,1,0,0,0,0|1,0,2]=4 3425 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [0,1,0,0,0,0|1,0,2]=4 3426 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,1,0,0,0,0|2,0,1]=4 3427 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [0,1,0,0,0,0|1,0,2]=4 3428 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,1,0,0,0,0|2,0,1]=4 3429 B12R0.248 C=CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000700193 [0,1,0,0,0,0|3,0,0]=4 3430 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [0,1,0,0,0,0|1,0,2]=4 3431 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,1,0,0,0,0|1,0,2]=4 3432 B12R0.248 C=CCCCCCOCC(C)C=C 34a_100011215527_100000700193 [0,1,0,0,0,0|2,0,0]=3 3433 B12R0.248 C=CCCCCCOCC(C)C=C 7a_100011215527_100000700193 [0,1,0,0,0,0|2,0,0]=3 3434 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,1,0,0,0,0|2,0,1]=4 3435 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,1,0,0,0,0|2,0,1]=4 3436 B12R0.248 C=CCCCCCOCC(C)CN 34a_100000744482_100000700193 [0,1,0,0,0,0|2,0,1]=4 3437 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [0,1,0,0,0,0|3,0,0]=4 3438 B12R0.248 C=CCCCCCOCC(Cl)CCl 34a_100000033668_100000700193 [0,1,0,0,0,0|2,0,1]=4 3439 B12R0.248 C=CCCCCCOCC(O)C=C 34a_100011216702_100000730141 [0,1,0,0,0,0|2,0,0]=3 3440 B12R0.248 C=CCCCCCOCC(O)C=C 7a_100011216702_100000730141 [0,1,0,0,0,0|2,0,0]=3 3441 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,1,0,0,0,0|2,0,1]=4 3442 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,1,0,0,0,0|2,0,1]=4 3443 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,1,0,0,0,0|1,0,2]=4 3444 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,1,0,0,0,0|1,0,2]=4 3445 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,1,0,0,0,0|2,0,1]=4 3446 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,1,0,0,0,0|2,0,1]=4 3447 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,1,0,0,0,0|2,0,1]=4 3448 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,1,0,0,0,0|1,0,2]=4 3449 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,1,0,0,0,0|1,0,2]=4 3450 B12R0.248 C=CCCCCCOC[C@@H](N)C=C 34a_100016989147_100000700193 [0,1,0,0,0,0|2,0,0]=3 3451 B12R0.248 C=CCCCCCOC[C@@H](O)CF 34a_100011216702_100015614560 [0,1,0,0,0,0|2,0,1]=4 3452 B12R0.248 C=CCCCCCOC[C@@H](O)CF 7a_100011216702_100015614560 [0,1,0,0,0,0|2,0,1]=4 3453 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,1,0,0,0,0|1,0,2]=4 3454 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,1,0,0,0,0|1,0,2]=4 3455 B12R0.248 C=CCCCCCOC[C@H](F)CN 34a_100015665980_100000700193 [0,1,0,0,0,0|2,0,1]=4 3456 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,1,0,0,0,0|2,0,1]=4 3457 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,1,0,0,0,0|2,0,1]=4 3458 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000700193_100000730141 [0,1,0,0,0,0|2,0,0]=3 3459 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000730141_100000700193 [0,1,0,0,0,0|2,0,0]=3 3460 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,1,0,0,0,0|2,0,1]=4 3461 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,1,0,0,0,0|2,0,1]=4 3462 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,1,0,0,0,0|1,0,2]=4 3463 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,1,0,0,0,0|1,0,2]=4 3464 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,1,0,0,0,0|2,0,1]=4 3465 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,1,0,0,0,0|2,0,1]=4 3466 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [0,1,0,0,0,0|1,0,2]=4 3467 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [0,1,0,0,0,0|1,0,2]=4 3468 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100000700193_100015614560 [0,1,0,0,0,0|2,0,1]=4 3469 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000700193 [0,1,0,0,0,0|2,0,1]=4 3470 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,1,0,0,0,0|1,0,2]=4 3471 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,1,0,0,0,0|1,0,2]=4 3472 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,1,0,0,0,0|2,0,1]=4 3473 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [0,1,0,0,0,0|1,0,2]=4 3474 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [0,1,0,0,0,0|1,0,2]=4 3475 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,1,0,0,0,0|2,0,1]=4 3476 B12R0.248 C=CCCCCOCCC(C)OC 7a_100000764861_100011215482 [0,1,0,0,0,0|3,0,0]=4 3477 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,1,0,0,0,0|2,0,1]=4 3478 B12R0.248 C=CCCCOCCC[C@@H](C)CN 34a_100160569302_100000757094 [0,1,0,0,0,0|2,0,1]=4 3479 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,1,0,0,0,0|2,0,1]=4 3480 B12R0.248 C=COCCCCOCC(O)C=C 34a_100000031558_100000730141 [0,1,0,0,0,0|3,0,0]=4 3481 B12R0.248 C=COCCCCOCC(O)C=C 7a_100000031558_100000730141 [0,1,0,0,0,0|3,0,0]=4 3482 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [0,1,0,0,0,0|2,0,1]=4 3483 B12R0.248 C=C[C@H](N)COCCCCCCF 34a_100016989147_100015922095 [0,1,0,0,0,0|2,0,1]=4 3484 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [0,1,0,0,0,0|1,0,2]=4 3485 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [0,1,0,0,0,0|2,0,1]=4 3486 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [0,1,0,0,0,0|1,0,2]=4 3487 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,1,0,0,0,0|1,0,2]=4 3488 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,1,0,0,0,0|1,0,2]=4 3489 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,1,0,0,0,0|1,0,2]=4 3490 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,1,0,0,0,0|1,0,2]=4 3491 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,1,0,0,0,0|1,0,2]=4 3492 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,1,0,0,0,0|1,0,2]=4 3493 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,1,0,0,0,0|1,0,2]=4 3494 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,1,0,0,0,0|1,0,2]=4 3495 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,1,0,0,0,0|1,0,2]=4 3496 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,1,0,0,0,0|1,0,2]=4 3497 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,1,0,0,0,0|1,0,2]=4 3498 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,1,0,0,0,0|1,0,2]=4 3499 B12R0.248 COC(C)CCOCCCCC=O 7a_100000764861_100000139335 [0,1,0,0,0,0|2,0,1]=4 3500 B12R0.248 CO[C@H](C)CNCCCCCC=O 2230a_100020591295_100000139337 [0,1,0,0,0,0|2,0,1]=4 3501 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [0,1,0,0,0,0|2,0,1]=4 3502 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [0,1,0,0,0,0|2,0,1]=4 3503 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [0,1,0,0,0,0|2,0,1]=4 3504 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [0,1,0,0,0,0|2,0,1]=4 3505 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [0,1,0,0,0,0|2,0,1]=4 3506 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [0,1,0,0,0,0|2,0,1]=4 3507 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [0,1,0,0,0,0|2,0,1]=4 3508 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [0,1,0,0,0,0|2,0,1]=4 3509 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [0,1,0,0,0,0|2,0,1]=4 3510 B12R1.8 C#CCCCOC1C=CCCC1 34a_100011215024_100000695029 [0,0,0,1,0,0|2,0,1]=4 3511 B12R1.8 C#CCCCOC1C=CCCC1 7a_100000215630_100000751183 [0,0,0,1,0,0|2,0,1]=4 3512 B12R1.8 C#CCCCSC1C=CCCC1 62a_100000751183_100011215417 [0,0,0,1,0,0|2,0,1]=4 3513 B12R1.8 C#CCCCSC1C=CCCC1 62a_100011215417_100000751183 [0,0,0,1,0,0|2,0,1]=4 3514 B12R1.8 C=CCCCCN1CC=CCC1 2230a_100000698166_100011215482 [0,0,0,1,0,0|2,0,1]=4 3515 B12R1.8 C=CCCCCN1CC=CCC1 269982a_100000698166_100011215482 [0,0,0,1,0,0|2,0,1]=4 3516 B12R1.8 C=CCCCCN1CC=CCC1 34a_100000698166_100011215482 [0,0,0,1,0,0|2,0,1]=4 3517 B12R1.8 C=CCCCCN1CCCOC1 2230a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 3518 B12R1.8 C=CCCCCN1CCCOC1 269982a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 3519 B12R1.8 C=CCCCCN1CCCOC1 34a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 3520 B12R1.8 C=CCCCNC1C=CCCC1 2230a_100000700776_100000751183 [0,0,0,1,0,0|2,0,0]=3 3521 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [0,0,0,1,0,0|2,0,1]=4 3522 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [0,0,0,1,0,0|2,0,1]=4 3523 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [0,0,0,1,0,0|2,0,1]=4 3524 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [0,0,0,1,0,0|2,0,1]=4 3525 B12R1.8 C=CCCCNC1CCCOC1 2230a_100000719290_100011713584 [0,0,0,1,0,0|3,0,0]=4 3526 B12R1.8 C=CCCCNC1CCCOC1 270004a_100000700776_100000753404 [0,0,0,1,0,0|3,0,0]=4 3527 B12R1.8 C=CCCCNC1CCCOC1 34a_100000700776_100000693364 [0,0,0,1,0,0|3,0,0]=4 3528 B12R1.8 C=CCCCNC1CCCOC1 34a_100000719290_100000757094 [0,0,0,1,0,0|3,0,0]=4 3529 B12R1.8 C=CCCCNC1CCCSC1 270004a_100000700776_100000057913 [0,0,0,1,0,0|3,0,0]=4 3530 B12R1.8 C=CCCCOC1C=CCCC1 34a_100011215024_100000757094 [0,0,0,1,0,0|2,0,0]=3 3531 B12R1.8 C=CCCCOC1C=CCCC1 7a_100000758997_100000751183 [0,0,0,1,0,0|2,0,0]=3 3532 B12R1.8 C=CCCCOC1CC=CCC1 34a_100000073881_100000757094 [0,0,0,1,0,0|2,0,1]=4 3533 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,0,0,1,0,0|2,0,1]=4 3534 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,0,0,1,0,0|2,0,1]=4 3535 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,0,0,1,0,0|2,0,1]=4 3536 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,0,0,1,0,0|2,0,1]=4 3537 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [0,0,0,1,0,0|1,0,2]=4 3538 B12R1.8 C=CCCCOC1CCCOC1 34a_100000754041_100000757094 [0,0,0,1,0,0|3,0,0]=4 3539 B12R1.8 C=CCCCOC1CCCOC1 34a_100000758997_100000693364 [0,0,0,1,0,0|3,0,0]=4 3540 B12R1.8 C=CCCCOC1CCCOC1 7a_100000758997_100000693364 [0,0,0,1,0,0|3,0,0]=4 3541 B12R1.8 C=CCCCOC1CCCSC1 7a_100015962668_100000757094 [0,0,0,1,0,0|3,0,0]=4 3542 B12R1.8 C=CCCCSC1C=CCCC1 62a_100000751183_100000757094 [0,0,0,1,0,0|2,0,0]=3 3543 B12R1.8 C=CCCCSC1C=CCCC1 62a_100011713584_100000751183 [0,0,0,1,0,0|2,0,0]=3 3544 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [0,0,0,1,0,0|2,0,1]=4 3545 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [0,0,0,1,0,0|2,0,1]=4 3546 B12R1.8 C=CCCCSC1CCCOC1 62a_100011713584_100000693364 [0,0,0,1,0,0|3,0,0]=4 3547 B12R1.8 C=CCCNCC1CC=CCC1 270004a_100015191253_100000189434 [0,0,0,1,0,0|2,0,1]=4 3548 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [0,0,0,1,0,0|2,0,1]=4 3549 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [0,0,0,1,0,0|2,0,1]=4 3550 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [0,0,0,1,0,0|2,0,1]=4 3551 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [0,0,0,1,0,0|2,0,1]=4 3552 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [0,0,0,1,0,0|1,0,2]=4 3553 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [0,0,0,1,0,0|1,0,2]=4 3554 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [0,0,0,1,0,0|1,0,2]=4 3555 B12R1.8 C=CCCNCC1CCCOC1 2230a_100000720124_100000754431 [0,0,0,1,0,0|3,0,0]=4 3556 B12R1.8 C=CCCNCC1CCCOC1 2230a_100015191253_100000741521 [0,0,0,1,0,0|3,0,0]=4 3557 B12R1.8 C=CCCNCC1CCCOC1 34a_100000720124_100000754431 [0,0,0,1,0,0|3,0,0]=4 3558 B12R1.8 C=CCCOCC1CC=CCC1 34a_100000210713_100000754431 [0,0,0,1,0,0|2,0,1]=4 3559 B12R1.8 C=CCCOCC1CCC=CO1 34a_100011217868_100000754431 [0,0,0,1,0,0|1,0,2]=4 3560 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [0,0,0,1,0,0|2,0,1]=4 3561 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [0,0,0,1,0,0|2,0,1]=4 3562 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [0,0,0,1,0,0|2,0,1]=4 3563 B12R1.8 C=CCCOCC1CCCCN1 34a_100000210821_100000754431 [0,0,0,1,0,0|2,0,1]=4 3564 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,0,0,1,0,0|1,0,2]=4 3565 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,0,0,1,0,0|1,0,2]=4 3566 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,0,0,1,0,0|1,0,2]=4 3567 B12R1.8 C=CCCOCC1CCCNC1 34a_100000211344_100000754431 [0,0,0,1,0,0|3,0,0]=4 3568 B12R1.8 C=CCCOCC1CCCOC1 34a_100000741520_100000754431 [0,0,0,1,0,0|3,0,0]=4 3569 B12R1.8 C=CCCOCC1CCCOC1 34a_100011205117_100000741521 [0,0,0,1,0,0|3,0,0]=4 3570 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [0,0,0,1,0,0|2,0,1]=4 3571 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [0,0,0,1,0,0|2,0,1]=4 3572 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [0,0,0,1,0,0|1,0,2]=4 3573 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [0,0,0,1,0,0|1,0,2]=4 3574 B12R1.8 C=CCCSCC1CCCOC1 62a_100000741521_100000754431 [0,0,0,1,0,0|3,0,0]=4 3575 B12R1.8 C=CCCSCC1CCCOC1 62a_100000754431_100000741521 [0,0,0,1,0,0|3,0,0]=4 3576 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [0,0,0,1,0,0|2,0,1]=4 3577 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [0,0,0,1,0,0|2,0,1]=4 3578 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [0,0,0,1,0,0|2,0,1]=4 3579 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [0,0,0,1,0,0|2,0,1]=4 3580 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [0,0,0,1,0,0|1,0,2]=4 3581 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [0,0,0,1,0,0|1,0,2]=4 3582 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,0,0,1,0,0|2,0,1]=4 3583 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,0,0,1,0,0|2,0,1]=4 3584 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,0,0,1,0,0|2,0,1]=4 3585 B12R1.8 C=CCOCCC1CCCCN1 34a_100000211664_100015514636 [0,0,0,1,0,0|2,0,1]=4 3586 B12R1.8 C=CCOCCC1CCCNC1 34a_100000752241_100015514636 [0,0,0,1,0,0|3,0,0]=4 3587 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [0,0,0,1,0,0|2,0,1]=4 3588 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [0,0,0,1,0,0|2,0,1]=4 3589 B12R1.8 C=COCCOC1C=CCCC1 34a_100011215024_100000039644 [0,0,0,1,0,0|3,0,0]=4 3590 B12R1.8 C=COCCSC1C=CCCC1 62a_100000039644_100000751183 [0,0,0,1,0,0|3,0,0]=4 3591 B12R1.8 C=COCCSC1C=CCCC1 62a_100000751183_100000039644 [0,0,0,1,0,0|3,0,0]=4 3592 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [0,0,0,1,0,0|2,0,1]=4 3593 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,0,0,1,0,0|2,0,1]=4 3594 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,0,0,1,0,0|2,0,1]=4 3595 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [0,0,0,1,0,0|2,0,1]=4 3596 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [0,0,0,1,0,0|2,0,1]=4 3597 B12R1.8 COCCCOC1C=CCCC1 34a_100011215024_100000740836 [0,0,0,1,0,0|3,0,0]=4 3598 B12R1.8 COCCCSC1C=CCCC1 62a_100000709357_100000751183 [0,0,0,1,0,0|3,0,0]=4 3599 B12R1.8 COCCCSC1C=CCCC1 62a_100000751183_100000709357 [0,0,0,1,0,0|3,0,0]=4 3600 B12R1.8 CSCCCNC1C=CCCC1 2230a_100000749238_100000751183 [0,0,0,1,0,0|3,0,0]=4 3601 B12R1.8 CSCCCOC1C=CCCC1 7a_100000690336_100000751183 [0,0,0,1,0,0|3,0,0]=4 3602 B12R1.8 ClCCCCOC1C=CCCC1 7a_100000210776_100000751183 [0,0,0,1,0,0|2,0,1]=4 3603 B12R1.8 FCCCCOC1C=CCCC1 34a_100011215024_100000729493 [0,0,0,1,0,0|2,0,1]=4 3604 B12R1.8 FCCCCOC1C=CCCC1 7a_100011995726_100000751183 [0,0,0,1,0,0|2,0,1]=4 3605 B12R1.8 FCCCCSC1C=CCCC1 62a_100000729493_100000751183 [0,0,0,1,0,0|2,0,1]=4 3606 B12R1.8 FCCCCSC1C=CCCC1 62a_100000751183_100000729493 [0,0,0,1,0,0|2,0,1]=4 3607 B12R1.8 N#CCCCSC1C=CCCC1 62a_100000687738_100000751183 [0,0,0,1,0,0|2,0,1]=4 3608 B12R1.8 N#CCCCSC1C=CCCC1 62a_100000751183_100000687738 [0,0,0,1,0,0|2,0,1]=4 3609 B12R1.8 O=CCCCCN1CC=CCC1 2230a_100000698166_100000139335 [0,0,0,1,0,0|1,0,2]=4 3610 B12R1.8 O=CCCCCN1CC=CCC1 269982a_100000698166_100000139335 [0,0,0,1,0,0|1,0,2]=4 3611 B12R1.8 O=CCCCCN1CCCOC1 2230a_100000131196_100000139335 [0,0,0,1,0,0|2,0,1]=4 3612 B12R1.8 O=CCCCCN1CCCOC1 269982a_100000131196_100000139335 [0,0,0,1,0,0|2,0,1]=4 3613 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [0,0,0,1,0,0|1,0,2]=4 3614 B12R1.8 O=CCCCNC1CCCOC1 2230a_100000719290_200011292268 [0,0,0,1,0,0|2,0,1]=4 3615 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,0,0,1,0,0|1,0,2]=4 3616 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [0,0,0,1,0,0|2,0,1]=4 3617 B12R1.8 O=CCCCSC1C=CCCC1 62a_100000751183_200011292268 [0,0,0,1,0,0|1,0,0]=2 3618 B12R1.8 O=CCCCSC1C=CCCC1 62a_200011292268_100000751183 [0,0,0,1,0,0|1,0,0]=2 3619 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [0,0,0,1,0,0|1,0,2]=4 3620 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [0,0,0,1,0,0|1,0,2]=4 3621 B12R1.8 O=CCCCSC1CCCOC1 62a_200011292268_100000693364 [0,0,0,1,0,0|2,0,1]=4 3622 B12R1.8 O=CCNCCC1=CCCCC1 2230a_100000212019_200015260668 [0,0,0,1,0,0|1,0,2]=4 3623 B12R1.8 O=CCNCCC1=CCCCC1 34a_100000212019_200009817547 [0,0,0,1,0,0|1,0,2]=4 3624 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [0,0,0,1,0,0|1,0,2]=4 3625 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [0,0,0,1,0,0|1,0,2]=4 3626 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [0,0,0,1,0,0|2,0,1]=4 3627 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [0,0,0,1,0,0|2,0,1]=4 3628 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [0,0,0,1,0,0|1,0,2]=4 3629 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [0,0,0,1,0,0|1,0,2]=4 3630 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [0,0,0,1,0,0|2,0,1]=4 3631 B12R1.8 O=CCOCCC1CCCNC1 34a_100000752241_200009817547 [0,0,0,1,0,0|2,0,1]=4 3632 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [0,0,0,1,0,0|1,0,2]=4 3633 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [0,0,0,1,0,0|1,0,2]=4 3634 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [0,0,0,1,0,0|1,0,2]=4 3635 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [0,0,0,1,0,0|1,0,2]=4 3636 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [0,0,0,1,0,0|1,0,2]=4 3637 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [0,0,0,1,0,0|1,0,2]=4 3638 B12R1.18 C#CCSC1CCCCCC1=O 62a_100000038162_100000243696 [0,0,0,1,0,0|1,0,2]=4 3639 B12R1.18 C=CCNC1CCCCNC1=O 2230a_100000698827_100000210623 [0,0,0,1,0,0|2,0,0]=3 3640 B12R1.18 C=CCNC1CCCCNC1=O 2230a_100020586998_100000735217 [0,0,0,1,0,0|2,0,0]=3 3641 B12R1.18 C=CCNC1CCCCNC1=O 34a_100000698827_100015514636 [0,0,0,1,0,0|2,0,0]=3 3642 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000210623_100000243696 [0,0,0,1,0,0|1,0,0]=2 3643 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000243696_100000210623 [0,0,0,1,0,0|1,0,0]=2 3644 B12R1.18 C=CCSC1CCCCNC1=O 62a_100000210623_100000735217 [0,0,0,1,0,0|2,0,0]=3 3645 B12R1.18 C=CCSC1CCCCNC1=O 62a_100000735217_100000210623 [0,0,0,1,0,0|2,0,0]=3 3646 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,0,0,1,0,0|1,0,2]=4 3647 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,0,0,1,0,0|1,0,2]=4 3648 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [0,0,0,1,0,0|2,0,1]=4 3649 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [0,0,0,1,0,0|2,0,1]=4 3650 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [0,0,0,1,0,0|2,0,1]=4 3651 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [0,0,0,1,0,0|2,0,1]=4 3652 B12R1.18 N#CCSC1CCCCCC1=O 62a_100000243696_100011215382 [0,0,0,1,0,0|2,0,1]=4 3653 B12R1.18 N#CCSC1CCCCCC1=O 62a_100011215382_100000243696 [0,0,0,1,0,0|2,0,1]=4 3654 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [0,0,0,1,0,0|2,0,1]=4 3655 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [0,0,0,1,0,0|2,0,1]=4 3656 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,0,0,1,0,0|2,0,1]=4 3657 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,0,0,1,0,0|2,0,1]=4 3658 B12R1.18 O=CCNC1CCCCNC1=O 2230a_100000698827_200015260668 [0,0,0,1,0,0|3,0,0]=4 3659 B12R1.18 O=CCNC1CCCCNC1=O 34a_100000698827_200009817547 [0,0,0,1,0,0|3,0,0]=4 3660 B12R1.18 O=CCSC1CCCCCC1=O 62a_100000243696_200015260668 [0,0,0,1,0,0|2,0,0]=3 3661 B12R1.18 O=CCSC1CCCCCC1=O 62a_200015260668_100000243696 [0,0,0,1,0,0|2,0,0]=3 3662 B12R1.18 O=CCSC1CCCCNC1=O 62a_100000735217_200015260668 [0,0,0,1,0,0|3,0,0]=4 3663 B12R1.18 O=CCSC1CCCCNC1=O 62a_200015260668_100000735217 [0,0,0,1,0,0|3,0,0]=4 3664 B12R1.37 C=CCCCCCN1CC=CC1 269982a_100015195280_100000700193 [0,0,0,1,0,0|2,0,1]=4 3665 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [0,0,0,1,0,0|2,0,1]=4 3666 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [0,0,0,1,0,0|2,0,1]=4 3667 B12R1.37 C=CCCCCCN1CCSC1 2230a_100011215254_100000700193 [0,0,0,1,0,0|3,0,0]=4 3668 B12R1.37 C=CCCCCCN1CCSC1 269982a_100011215254_100000700193 [0,0,0,1,0,0|3,0,0]=4 3669 B12R1.37 C=CCCCCNC1CC=CC1 2230a_100015188752_100011215482 [0,0,0,1,0,0|2,0,1]=4 3670 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [0,0,0,1,0,0|2,0,1]=4 3671 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [0,0,0,1,0,0|2,0,1]=4 3672 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [0,0,0,1,0,0|2,0,1]=4 3673 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [0,0,0,1,0,0|2,0,1]=4 3674 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [0,0,0,1,0,0|2,0,1]=4 3675 B12R1.37 C=CCCCCNC1CCOC1 2230a_100000703577_100000731011 [0,0,0,1,0,0|3,0,0]=4 3676 B12R1.37 C=CCCCCNC1CCOC1 270004a_100000703577_100000752484 [0,0,0,1,0,0|3,0,0]=4 3677 B12R1.37 C=CCCCCNC1CCOC1 34a_100000703577_100000690089 [0,0,0,1,0,0|3,0,0]=4 3678 B12R1.37 C=CCCCCNC1CCSC1 270004a_100000703577_100000212027 [0,0,0,1,0,0|3,0,0]=4 3679 B12R1.37 C=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215482 [0,0,0,1,0,0|3,0,0]=4 3680 B12R1.37 C=CCCCCN[C@H]1CCOC1 2230a_100015188467_100011215482 [0,0,0,1,0,0|3,0,0]=4 3681 B12R1.37 C=CCCCCN[C@H]1CCOC1 34a_100015188467_100011215482 [0,0,0,1,0,0|3,0,0]=4 3682 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [0,0,0,1,0,0|2,0,1]=4 3683 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [0,0,0,1,0,0|2,0,1]=4 3684 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [0,0,0,1,0,0|2,0,1]=4 3685 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [0,0,0,1,0,0|2,0,1]=4 3686 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [0,0,0,1,0,0|1,0,2]=4 3687 B12R1.37 C=CCCCCOC1CCOC1 34a_100000766645_100000690089 [0,0,0,1,0,0|3,0,0]=4 3688 B12R1.37 C=CCCCCOC1CCOC1 7a_100000766645_100000731011 [0,0,0,1,0,0|3,0,0]=4 3689 B12R1.37 C=CCCCCOC1CCSC1 7a_100011232664_100011215482 [0,0,0,1,0,0|3,0,0]=4 3690 B12R1.37 C=CCCCCO[C@H]1CCOC1 34a_100000717292_100011215482 [0,0,0,1,0,0|3,0,0]=4 3691 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [0,0,0,1,0,0|2,0,1]=4 3692 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [0,0,0,1,0,0|2,0,1]=4 3693 B12R1.37 C=CCCCCSC1CCOC1 62a_100011215482_100000690089 [0,0,0,1,0,0|3,0,0]=4 3694 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [0,0,0,1,0,0|2,0,1]=4 3695 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [0,0,0,1,0,0|2,0,1]=4 3696 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [0,0,0,1,0,0|2,0,1]=4 3697 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [0,0,0,1,0,0|2,0,1]=4 3698 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [0,0,0,1,0,0|2,0,1]=4 3699 B12R1.37 C=CCCCNCC1CCCO1 2230a_100000700776_100000203698 [0,0,0,1,0,0|1,0,2]=4 3700 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000700776_100000702531 [0,0,0,1,0,0|3,0,0]=4 3701 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000737293_100011713584 [0,0,0,1,0,0|3,0,0]=4 3702 B12R1.37 C=CCCCNCC1CCOC1 34a_100000700776_100011261433 [0,0,0,1,0,0|3,0,0]=4 3703 B12R1.37 C=CCCCNCC1CCOC1 34a_100000737293_100000757094 [0,0,0,1,0,0|3,0,0]=4 3704 B12R1.37 C=CCCCNC[C@@H]1CCCO1 2230a_100020590478_100011713584 [0,0,0,1,0,0|1,0,2]=4 3705 B12R1.37 C=CCCCNC[C@@H]1CCCO1 34a_100020590478_100000757094 [0,0,0,1,0,0|1,0,2]=4 3706 B12R1.37 C=CCCCOCC1CC=CC1 34a_100000688395_100000757094 [0,0,0,1,0,0|2,0,1]=4 3707 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [0,0,0,1,0,0|2,0,1]=4 3708 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [0,0,0,1,0,0|2,0,1]=4 3709 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [0,0,0,1,0,0|2,0,1]=4 3710 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [0,0,0,1,0,0|2,0,1]=4 3711 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [0,0,0,1,0,0|1,0,2]=4 3712 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [0,0,0,1,0,0|1,0,2]=4 3713 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [0,0,0,1,0,0|1,0,2]=4 3714 B12R1.37 C=CCCCOCC1CCNC1 34a_100000748654_100000757094 [0,0,0,1,0,0|3,0,0]=4 3715 B12R1.37 C=CCCCOCC1CCOC1 34a_100000740260_100000757094 [0,0,0,1,0,0|3,0,0]=4 3716 B12R1.37 C=CCCCOCC1CCOC1 34a_100000758997_100011261433 [0,0,0,1,0,0|3,0,0]=4 3717 B12R1.37 C=CCCCOCC1CCOC1 7a_100000758997_100000702531 [0,0,0,1,0,0|3,0,0]=4 3718 B12R1.37 C=CCCCOC[C@H]1CCCN1 34a_100000745186_100000757094 [0,0,0,1,0,0|2,0,1]=4 3719 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [0,0,0,1,0,0|2,0,1]=4 3720 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [0,0,0,1,0,0|2,0,1]=4 3721 B12R1.37 C=CCCCSCC1CCCO1 62a_100000203698_100000757094 [0,0,0,1,0,0|1,0,2]=4 3722 B12R1.37 C=CCCCSCC1CCCO1 62a_100011713584_100000203698 [0,0,0,1,0,0|1,0,2]=4 3723 B12R1.37 C=CCCCSCC1CCOC1 62a_100000702531_100000757094 [0,0,0,1,0,0|3,0,0]=4 3724 B12R1.37 C=CCCCSCC1CCOC1 62a_100011713584_100000702531 [0,0,0,1,0,0|3,0,0]=4 3725 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [0,0,0,1,0,0|2,0,1]=4 3726 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [0,0,0,1,0,0|2,0,1]=4 3727 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [0,0,0,1,0,0|2,0,1]=4 3728 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [0,0,0,1,0,0|2,0,1]=4 3729 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [0,0,0,1,0,0|2,0,1]=4 3730 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [0,0,0,1,0,0|2,0,1]=4 3731 B12R1.37 C=CCCOCCC1CCNC1 34a_100016987287_100000754431 [0,0,0,1,0,0|3,0,0]=4 3732 B12R1.37 C=CCCOCCC1CCOC1 34a_100011879284_100000754431 [0,0,0,1,0,0|3,0,0]=4 3733 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [0,0,0,1,0,0|2,0,1]=4 3734 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [0,0,0,1,0,0|2,0,1]=4 3735 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [0,0,0,1,0,0|2,0,1]=4 3736 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [0,0,0,1,0,0|2,0,1]=4 3737 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [0,0,0,1,0,0|2,0,1]=4 3738 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [0,0,0,1,0,0|2,0,1]=4 3739 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [0,0,0,1,0,0|2,0,1]=4 3740 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [0,0,0,1,0,0|2,0,1]=4 3741 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [0,0,0,1,0,0|2,0,1]=4 3742 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [0,0,0,1,0,0|2,0,1]=4 3743 B12R1.37 O=CCCCCCN1CC=CC1 269982a_100015195280_100000139337 [0,0,0,1,0,0|1,0,2]=4 3744 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [0,0,0,1,0,0|1,0,2]=4 3745 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [0,0,0,1,0,0|1,0,2]=4 3746 B12R1.37 O=CCCCCCN1CCSC1 2230a_100011215254_100000139337 [0,0,0,1,0,0|2,0,1]=4 3747 B12R1.37 O=CCCCCCN1CCSC1 269982a_100011215254_100000139337 [0,0,0,1,0,0|2,0,1]=4 3748 B12R1.37 O=CCCCCNC1CC=CC1 2230a_100015188752_100000139335 [0,0,0,1,0,0|1,0,2]=4 3749 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [0,0,0,1,0,0|1,0,2]=4 3750 B12R1.37 O=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139335 [0,0,0,1,0,0|2,0,1]=4 3751 B12R1.37 O=CCCCCN[C@H]1CCOC1 2230a_100015188467_100000139335 [0,0,0,1,0,0|2,0,1]=4 3752 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [0,0,0,1,0,0|1,0,2]=4 3753 B12R1.37 O=CCCCCOC1CCSC1 7a_100011232664_100000139335 [0,0,0,1,0,0|2,0,1]=4 3754 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [0,0,0,1,0,0|1,0,2]=4 3755 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [0,0,0,1,0,0|1,0,2]=4 3756 B12R1.37 O=CCCCCSC1CCOC1 62a_100000139335_100000690089 [0,0,0,1,0,0|2,0,1]=4 3757 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [0,0,0,1,0,0|1,0,2]=4 3758 B12R1.37 O=CCCCNCC1CCOC1 2230a_100000737293_200011292268 [0,0,0,1,0,0|2,0,1]=4 3759 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [0,0,0,1,0,0|2,0,1]=4 3760 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [0,0,0,1,0,0|1,0,2]=4 3761 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [0,0,0,1,0,0|2,0,1]=4 3762 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [0,0,0,1,0,0|1,0,2]=4 3763 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [0,0,0,1,0,0|1,0,2]=4 3764 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [0,0,0,1,0,0|2,0,1]=4 3765 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [0,0,0,1,0,0|2,0,1]=4 3766 B12R1.37 O=CCCCSCC1CCOC1 62a_100000702531_200011292268 [0,0,0,1,0,0|2,0,1]=4 3767 B12R1.37 O=CCCCSCC1CCOC1 62a_200011292268_100000702531 [0,0,0,1,0,0|2,0,1]=4 3768 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [0,0,0,1,0,0|1,0,2]=4 3769 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [0,0,0,1,0,0|1,0,2]=4 3770 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [0,0,0,1,0,0|1,0,2]=4 3771 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [0,0,0,1,0,0|1,0,2]=4 3772 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [0,0,0,1,0,0|1,0,2]=4 3773 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [0,0,0,1,0,0|1,0,2]=4 3774 B12R1.45 C=CCCCN1CCCC1C#N 2230a_100000701862_100011713584 [0,0,0,1,0,0|2,0,1]=4 3775 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [0,0,0,1,0,0|2,0,1]=4 3776 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [0,0,0,1,0,0|2,0,1]=4 3777 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [0,0,0,1,0,0|2,0,1]=4 3778 B12R1.45 C=CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100011713584 [0,0,0,1,0,0|2,0,1]=4 3779 B12R1.45 C=CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000757094 [0,0,0,1,0,0|2,0,1]=4 3780 B12R1.45 C=CCCCN1CCC[C@@H]1CO 2230a_100000745186_100011713584 [0,0,0,1,0,0|1,0,2]=4 3781 B12R1.45 C=CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000757094 [0,0,0,1,0,0|1,0,2]=4 3782 B12R1.45 C=CCCCN1CCC[C@@H]1CO 34a_100000745186_100000757094 [0,0,0,1,0,0|1,0,2]=4 3783 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [0,0,0,1,0,0|2,0,1]=4 3784 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [0,0,0,1,0,0|2,0,1]=4 3785 B12R1.45 C=CCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000754431 [0,0,0,1,0,0|2,0,1]=4 3786 B12R1.45 C=CCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000754431 [0,0,0,1,0,0|2,0,1]=4 3787 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [0,0,0,1,0,0|1,0,2]=4 3788 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [0,0,0,1,0,0|1,0,2]=4 3789 B12R1.45 N#CC1CCCN1CCCC=O 2230a_100000701862_200011292268 [0,0,0,1,0,0|2,0,1]=4 3790 B12R1.45 N#C[C@H]1CCCN1CCCC=O 2230a_106645074975_200011292268 [0,0,0,1,0,0|2,0,1]=4 3791 B12R1.45 N#C[C@H]1CCCN1CCCC=O 269982a_106645074975_200011292268 [0,0,0,1,0,0|2,0,1]=4 3792 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [0,0,0,1,0,0|2,0,1]=4 3793 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [0,0,0,1,0,0|2,0,1]=4 3794 B12R1.121 C#CC1CCCCN1CCC=C 2230a_200020621307_100000754431 [0,0,0,1,0,0|2,0,1]=4 3795 B12R1.121 C#CC1CCCCN1CCC=C 269982a_200020621307_100000754431 [0,0,0,1,0,0|2,0,1]=4 3796 B12R1.121 C#CC1CCCCN1CCC=C 34a_200020621307_100000754431 [0,0,0,1,0,0|2,0,1]=4 3797 B12R1.121 C=CCCN1CCCCC1C#N 34a_100016989756_100000754431 [0,0,0,1,0,0|2,0,1]=4 3798 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [0,0,0,1,0,0|2,0,1]=4 3799 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [0,0,0,1,0,0|2,0,1]=4 3800 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [0,0,0,1,0,0|2,0,1]=4 3801 B12R1.121 C=CCCN1CCCCC1CO 2230a_100000210821_100000754431 [0,0,0,1,0,0|1,0,2]=4 3802 B12R1.121 C=CCCN1CCCCC1CO 269982a_100000210821_100000754431 [0,0,0,1,0,0|1,0,2]=4 3803 B12R1.121 C=CCCN1CCCCC1CO 34a_100000210821_100000754431 [0,0,0,1,0,0|1,0,2]=4 3804 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [0,0,0,1,0,0|2,0,1]=4 3805 B12R1.121 C=CCNC1CCCCC1CO 270004a_100020586998_100009861125 [0,0,0,1,0,0|1,0,2]=4 3806 B12R1.121 C=CCNC1CCCCC1OC 270004a_100020586998_100000740605 [0,0,0,1,0,0|3,0,0]=4 3807 B12R1.121 C=CCNC1CCCCC1OC 34a_100011208099_100015514636 [0,0,0,1,0,0|3,0,0]=4 3808 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,0,0,1,0,0|2,0,1]=4 3809 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,0,0,1,0,0|2,0,1]=4 3810 B12R1.121 C=CCOC1CCCCC1CN 34a_100011216029_100015514636 [0,0,0,1,0,0|2,0,1]=4 3811 B12R1.121 C=CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100015514636 [0,0,0,1,0,0|3,0,0]=4 3812 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100015514636 [0,0,0,1,0,0|3,0,0]=4 3813 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100015514636 [0,0,0,1,0,0|3,0,0]=4 3814 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [0,0,0,1,0,0|1,0,2]=4 3815 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [0,0,0,1,0,0|1,0,2]=4 3816 B12R1.121 CN[C@@H]1CCCC[C@H]1OCC=O 34a_100000708425_200009817547 [0,0,0,1,0,0|2,0,1]=4 3817 B12R1.121 COC1CCCCC1NCC=O 34a_100011208099_200009817547 [0,0,0,1,0,0|2,0,1]=4 3818 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 34a_200009815850_200009817547 [0,0,0,1,0,0|2,0,1]=4 3819 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 7a_200009815850_200015260668 [0,0,0,1,0,0|2,0,1]=4 3820 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [0,0,0,1,0,0|2,0,1]=4 3821 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [0,0,0,1,0,0|2,0,1]=4 3822 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [0,0,0,1,0,0|2,0,1]=4 3823 B12R1.169 C=CCN1CCCCC1CC#N 2230a_100000133382_100000210623 [0,0,0,1,0,0|2,0,1]=4 3824 B12R1.169 C=CCN1CCCCC1CC#N 34a_100000133382_100015514636 [0,0,0,1,0,0|2,0,1]=4 3825 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [0,0,0,1,0,0|2,0,1]=4 3826 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [0,0,0,1,0,0|2,0,1]=4 3827 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [0,0,0,1,0,0|2,0,1]=4 3828 B12R1.169 C=CCN1CCCCC1CCO 2230a_100000211664_100000210623 [0,0,0,1,0,0|1,0,2]=4 3829 B12R1.169 C=CCN1CCCCC1CCO 269982a_100000211664_100000210623 [0,0,0,1,0,0|1,0,2]=4 3830 B12R1.169 C=CCN1CCCCC1CCO 34a_100000211664_100015514636 [0,0,0,1,0,0|1,0,2]=4 3831 B12R1.169 C=CCN1CCCCC1COC 2230a_100015184032_100000210623 [0,0,0,1,0,0|3,0,0]=4 3832 B12R1.169 C=CCN1CCCCC1COC 269982a_100015184032_100000210623 [0,0,0,1,0,0|3,0,0]=4 3833 B12R1.169 C=CCN1CCCCC1COC 34a_100015184032_100015514636 [0,0,0,1,0,0|3,0,0]=4 3834 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [0,0,0,1,0,0|1,0,2]=4 3835 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [0,0,0,1,0,0|1,0,2]=4 3836 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [0,0,0,1,0,0|1,0,2]=4 3837 B12R1.169 COCC1CCCCN1CC=O 2230a_100015184032_200015260668 [0,0,0,1,0,0|2,0,1]=4 3838 B12R1.169 COCC1CCCCN1CC=O 269982a_100015184032_200015260668 [0,0,0,1,0,0|2,0,1]=4 3839 B12R1.169 COCC1CCCCN1CC=O 34a_100015184032_200009817547 [0,0,0,1,0,0|2,0,1]=4 3840 B12R1.169 N#CCC1CCCCN1CC=O 2230a_100000133382_200015260668 [0,0,0,1,0,0|2,0,1]=4 3841 B12R1.169 N#CCC1CCCCN1CC=O 34a_100000133382_200009817547 [0,0,0,1,0,0|2,0,1]=4 3842 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [0,0,0,1,0,0|2,0,1]=4 3843 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [0,0,0,1,0,0|2,0,1]=4 3844 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [0,0,0,1,0,0|2,0,1]=4 3845 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [0,0,0,1,0,0|2,0,1]=4 3846 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [0,0,0,1,0,0|2,0,1]=4 3847 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [0,0,0,1,0,0|2,0,1]=4 3848 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [0,0,0,1,0,0|1,0,2]=4 3849 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [0,0,0,1,0,0|1,0,2]=4 3850 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [0,0,0,1,0,0|1,0,2]=4 3851 B12R1.267 C#CCCNC1CCCCC1=O 34a_100000755551_100000754470 [0,0,0,1,0,0|1,0,2]=4 3852 B12R1.267 C#CCCOC1CCCCC1=O 34a_100011214950_100000688953 [0,0,0,1,0,0|1,0,2]=4 3853 B12R1.267 C#CCCOC1CCCCC1=O 34a_100011215631_100000754470 [0,0,0,1,0,0|1,0,2]=4 3854 B12R1.267 C#CCCSC1CCCCC1=O 62a_100000204591_100000688953 [0,0,0,1,0,0|1,0,2]=4 3855 B12R1.267 C#CCCSC1CCCCC1=O 62a_100000688953_100000204591 [0,0,0,1,0,0|1,0,2]=4 3856 B12R1.267 C#CCOCC1CCCCC1=O 34a_100009861125_100000184674 [0,0,0,1,0,0|1,0,2]=4 3857 B12R1.267 C#CCOCC1CCCCC1=O 7a_100009861125_100000038162 [0,0,0,1,0,0|1,0,2]=4 3858 B12R1.267 C/C=C/COC1CCCCC1=O 34a_100011214950_100102629194 [0,0,0,1,0,0|1,0,2]=4 3859 B12R1.267 C/C=C/COC1CCCCC1=O 34a_100016270725_100000754470 [0,0,0,1,0,0|1,0,2]=4 3860 B12R1.267 C/C=C/CSC1CCCCC1=O 62a_100000204591_100102629194 [0,0,0,1,0,0|1,0,2]=4 3861 B12R1.267 C/C=C/CSC1CCCCC1=O 62a_100102629194_100000204591 [0,0,0,1,0,0|1,0,2]=4 3862 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [0,0,0,1,0,0|2,0,1]=4 3863 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [0,0,0,1,0,0|2,0,1]=4 3864 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [0,0,0,1,0,0|2,0,1]=4 3865 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [0,0,0,1,0,0|2,0,1]=4 3866 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [0,0,0,1,0,0|2,0,1]=4 3867 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [0,0,0,1,0,0|2,0,1]=4 3868 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [0,0,0,1,0,0|2,0,1]=4 3869 B12R1.267 C=CCCNC1CCCNC1=O 2230a_100000747585_100000754431 [0,0,0,1,0,0|2,0,0]=3 3870 B12R1.267 C=CCCNC1CCCNC1=O 2230a_100015191253_100000687798 [0,0,0,1,0,0|2,0,0]=3 3871 B12R1.267 C=CCCNC1CCCNC1=O 34a_100000747585_100000754431 [0,0,0,1,0,0|2,0,0]=3 3872 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000754431 [0,0,0,1,0,0|2,0,1]=4 3873 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000754431 [0,0,0,1,0,0|2,0,1]=4 3874 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011205117_100000754470 [0,0,0,1,0,0|1,0,0]=2 3875 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011214950_100000754431 [0,0,0,1,0,0|1,0,0]=2 3876 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [0,0,0,1,0,0|2,0,1]=4 3877 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [0,0,0,1,0,0|2,0,1]=4 3878 B12R1.267 C=CCCOC1CCCCC1Cl 34a_100000038908_100000754431 [0,0,0,1,0,0|2,0,1]=4 3879 B12R1.267 C=CCCOC1CCCCC1Cl 7a_100000038908_100000754431 [0,0,0,1,0,0|2,0,1]=4 3880 B12R1.267 C=CCCOC1CCCCC1F 34a_100011205117_100015423560 [0,0,0,1,0,0|2,0,1]=4 3881 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [0,0,0,1,0,0|1,0,2]=4 3882 B12R1.267 C=CCCOC1CCCNC1=O 34a_100000073722_100000754431 [0,0,0,1,0,0|2,0,0]=3 3883 B12R1.267 C=CCCOC1CCCNC1=O 34a_100011205117_100000687798 [0,0,0,1,0,0|2,0,0]=3 3884 B12R1.267 C=CCCOC1COCCC1=O 34a_100011205117_100012180262 [0,0,0,1,0,0|2,0,0]=3 3885 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000754431 [0,0,0,1,0,0|2,0,1]=4 3886 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000754431 [0,0,0,1,0,0|2,0,1]=4 3887 B12R1.267 C=CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000754431 [0,0,0,1,0,0|2,0,1]=4 3888 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000204591_100000754431 [0,0,0,1,0,0|1,0,0]=2 3889 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000754431_100000204591 [0,0,0,1,0,0|1,0,0]=2 3890 B12R1.267 C=CCCSC1CCCCC1F 62a_100000754431_100015423560 [0,0,0,1,0,0|2,0,1]=4 3891 B12R1.267 C=CCCSC1CCCCC1F 62a_100015423560_100000754431 [0,0,0,1,0,0|2,0,1]=4 3892 B12R1.267 C=CCCSC1CCCCC1O 62a_100000038908_100000754431 [0,0,0,1,0,0|1,0,2]=4 3893 B12R1.267 C=CCCSC1CCCCC1O 62a_100000754431_100000038908 [0,0,0,1,0,0|1,0,2]=4 3894 B12R1.267 C=CCCSC1CCCNC1=O 62a_100000687798_100000754431 [0,0,0,1,0,0|2,0,0]=3 3895 B12R1.267 C=CCCSC1CCCNC1=O 62a_100000754431_100000687798 [0,0,0,1,0,0|2,0,0]=3 3896 B12R1.267 C=CCCSC1COCCC1=O 62a_100000754431_100012180262 [0,0,0,1,0,0|2,0,0]=3 3897 B12R1.267 C=CCCSC1COCCC1=O 62a_100012180262_100000754431 [0,0,0,1,0,0|2,0,0]=3 3898 B12R1.267 C=CCNCC1CCCCC1O 34a_100011216029_100015514636 [0,0,0,1,0,0|1,0,2]=4 3899 B12R1.267 C=CCNCC1CCCCN1C 34a_100011228421_100015514636 [0,0,0,1,0,0|3,0,0]=4 3900 B12R1.267 C=CCOCC1CCCCC1=O 34a_100009861125_100015514636 [0,0,0,1,0,0|1,0,0]=2 3901 B12R1.267 C=CCOCC1CCCCC1=O 7a_100009861125_100015514636 [0,0,0,1,0,0|1,0,0]=2 3902 B12R1.267 C=CCOCC1CCCCN1C 34a_100000225079_100015514636 [0,0,0,1,0,0|3,0,0]=4 3903 B12R1.267 C=CCOCC1CCCCN1C 34a_200000210373_100015186950 [0,0,0,1,0,0|3,0,0]=4 3904 B12R1.267 C=CCSCC1CCCCN1C 62a_100000210623_100015185383 [0,0,0,1,0,0|3,0,0]=4 3905 B12R1.267 C=CCSCC1CCCCN1C 62a_100015185383_100000210623 [0,0,0,1,0,0|3,0,0]=4 3906 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [0,0,0,1,0,0|1,0,2]=4 3907 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [0,0,0,1,0,0|1,0,2]=4 3908 B12R1.267 CC=CCOC1CCCCC1=O 34a_100011214950_100000070051 [0,0,0,1,0,0|1,0,2]=4 3909 B12R1.267 CC=CCSC1CCCCC1=O 62a_100000070051_100000204591 [0,0,0,1,0,0|1,0,2]=4 3910 B12R1.267 CC=CCSC1CCCCC1=O 62a_100000204591_100000070051 [0,0,0,1,0,0|1,0,2]=4 3911 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,0,0,1,0,0|1,0,2]=4 3912 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,0,0,1,0,0|1,0,2]=4 3913 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,0,0,1,0,0|1,0,2]=4 3914 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,0,0,1,0,0|1,0,2]=4 3915 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,0,0,1,0,0|1,0,2]=4 3916 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,0,0,1,0,0|1,0,2]=4 3917 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,0,0,1,0,0|1,0,2]=4 3918 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,0,0,1,0,0|1,0,2]=4 3919 B12R1.267 CN1CCCCC1CNCC=O 34a_100011228421_200009817547 [0,0,0,1,0,0|2,0,1]=4 3920 B12R1.267 CN1CCCCC1COCC=O 34a_100000225079_200009817547 [0,0,0,1,0,0|2,0,1]=4 3921 B12R1.267 CN1CCCCC1CSCC=O 62a_100015185383_200015260668 [0,0,0,1,0,0|2,0,1]=4 3922 B12R1.267 CN1CCCCC1CSCC=O 62a_200015260668_100015185383 [0,0,0,1,0,0|2,0,1]=4 3923 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [0,0,0,1,0,0|2,0,1]=4 3924 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [0,0,0,1,0,0|2,0,1]=4 3925 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [0,0,0,1,0,0|2,0,1]=4 3926 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [0,0,0,1,0,0|2,0,1]=4 3927 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [0,0,0,1,0,0|2,0,1]=4 3928 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [0,0,0,1,0,0|2,0,1]=4 3929 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [0,0,0,1,0,0|2,0,1]=4 3930 B12R1.267 CSCCSC1CCCCC1=O 62a_100000204591_100000751147 [0,0,0,1,0,0|2,0,1]=4 3931 B12R1.267 CSCCSC1CCCCC1=O 62a_100000212216_100000204591 [0,0,0,1,0,0|2,0,1]=4 3932 B12R1.267 CSCOCC1CCCCC1=O 34a_100009861125_100011218213 [0,0,0,1,0,0|2,0,1]=4 3933 B12R1.267 N#CCCSC1CCCCC1=O 62a_100000204591_100011215226 [0,0,0,1,0,0|2,0,1]=4 3934 B12R1.267 N#CCCSC1CCCCC1=O 62a_100011215226_100000204591 [0,0,0,1,0,0|2,0,1]=4 3935 B12R1.267 N#CCOCC1CCCCC1=O 7a_100009861125_100011215382 [0,0,0,1,0,0|2,0,1]=4 3936 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [0,0,0,1,0,0|2,0,1]=4 3937 B12R1.267 NOCCOC1CCCCC1=O 34a_100000700252_100000754470 [0,0,0,1,0,0|3,0,0]=4 3938 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [0,0,0,1,0,0|2,0,1]=4 3939 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [0,0,0,1,0,0|2,0,1]=4 3940 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,0,0,1,0,0|2,0,1]=4 3941 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,0,0,1,0,0|2,0,1]=4 3942 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [0,0,0,1,0,0|2,0,1]=4 3943 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [0,0,0,1,0,0|2,0,1]=4 3944 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [0,0,0,1,0,0|2,0,1]=4 3945 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [0,0,0,1,0,0|2,0,1]=4 3946 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [0,0,0,1,0,0|2,0,1]=4 3947 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,0,0,1,0,0|2,0,1]=4 3948 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [0,0,0,1,0,0|2,0,1]=4 3949 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [0,0,0,1,0,0|2,0,1]=4 3950 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,0,0,1,0,0|2,0,1]=4 3951 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,0,0,1,0,0|2,0,1]=4 3952 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [0,0,0,1,0,0|2,0,1]=4 3953 B12R1.267 O=CCOCC1CCCCC1=O 34a_100009861125_200009817547 [0,0,0,1,0,0|2,0,0]=3 3954 B12R1.267 O=CCOCC1CCCCC1=O 7a_100009861125_200015260668 [0,0,0,1,0,0|2,0,0]=3 3955 B12R1.271 C=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000700193 [0,0,0,1,0,0|2,0,1]=4 3956 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000700193 [0,0,0,1,0,0|2,0,1]=4 3957 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000700193 [0,0,0,1,0,0|2,0,1]=4 3958 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [0,0,0,1,0,0|2,0,1]=4 3959 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [0,0,0,1,0,0|2,0,1]=4 3960 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [0,0,0,1,0,0|1,0,2]=4 3961 B12R1.271 O=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139337 [0,0,0,1,0,0|2,0,1]=4 3962 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139337 [0,0,0,1,0,0|2,0,1]=4 3963 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [0,0,0,1,0,0|2,0,1]=4 3964 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [0,0,0,1,0,0|2,0,1]=4 3965 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [0,0,0,1,0,0|2,0,1]=4 3966 B12R1.272 C=CCCCCCNC1COC1 2230a_100016991112_100000700193 [0,0,0,1,0,0|3,0,0]=4 3967 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [0,0,0,1,0,0|2,0,1]=4 3968 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [0,0,0,1,0,0|2,0,1]=4 3969 B12R1.272 C=CCCCCCOC1COC1 34a_100011216702_100009818527 [0,0,0,1,0,0|3,0,0]=4 3970 B12R1.272 C=CCCCCCOC1COC1 7a_100011216702_100009818527 [0,0,0,1,0,0|3,0,0]=4 3971 B12R1.272 C=CCCCCCOC1CSC1 7a_100000072292_100000700193 [0,0,0,1,0,0|3,0,0]=4 3972 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [0,0,0,1,0,0|2,0,1]=4 3973 B12R1.272 C=CCCCCCSC1COC1 62a_100000700193_100009818527 [0,0,0,1,0,0|3,0,0]=4 3974 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [0,0,0,1,0,0|2,0,1]=4 3975 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [0,0,0,1,0,0|2,0,1]=4 3976 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [0,0,0,1,0,0|2,0,1]=4 3977 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [0,0,0,1,0,0|2,0,1]=4 3978 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [0,0,0,1,0,0|2,0,1]=4 3979 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [0,0,0,1,0,0|1,0,2]=4 3980 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [0,0,0,1,0,0|1,0,2]=4 3981 B12R1.272 C=CCCCCNCC1COC1 2230a_100000703577_100010264016 [0,0,0,1,0,0|3,0,0]=4 3982 B12R1.272 C=CCCCCNCC1COC1 2230a_100015281925_100011215482 [0,0,0,1,0,0|3,0,0]=4 3983 B12R1.272 C=CCCCCNCC1COC1 34a_100000703577_100010264016 [0,0,0,1,0,0|3,0,0]=4 3984 B12R1.272 C=CCCCCNCC1COC1 34a_100015281925_100011215482 [0,0,0,1,0,0|3,0,0]=4 3985 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [0,0,0,1,0,0|1,0,2]=4 3986 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [0,0,0,1,0,0|1,0,2]=4 3987 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [0,0,0,1,0,0|2,0,1]=4 3988 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [0,0,0,1,0,0|2,0,1]=4 3989 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [0,0,0,1,0,0|2,0,1]=4 3990 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,0,0,1,0,0|1,0,2]=4 3991 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,0,0,1,0,0|1,0,2]=4 3992 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,0,0,1,0,0|1,0,2]=4 3993 B12R1.272 C=CCCCCOCC1CNC1 34a_100016987283_100011215482 [0,0,0,1,0,0|3,0,0]=4 3994 B12R1.272 C=CCCCCOCC1COC1 34a_100000060846_100011215482 [0,0,0,1,0,0|3,0,0]=4 3995 B12R1.272 C=CCCCCOCC1COC1 34a_100000766645_100010264016 [0,0,0,1,0,0|3,0,0]=4 3996 B12R1.272 C=CCCCCOCC1COC1 7a_100000766645_100010264016 [0,0,0,1,0,0|3,0,0]=4 3997 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [0,0,0,1,0,0|2,0,1]=4 3998 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [0,0,0,1,0,0|2,0,1]=4 3999 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [0,0,0,1,0,0|1,0,2]=4 4000 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [0,0,0,1,0,0|1,0,2]=4 4001 B12R1.272 C=CCCCCSCC1COC1 62a_100010264016_100011215482 [0,0,0,1,0,0|3,0,0]=4 4002 B12R1.272 C=CCCCCSCC1COC1 62a_100011215482_100010264016 [0,0,0,1,0,0|3,0,0]=4 4003 B12R1.272 C=CCCCOCCC1COC1 34a_100009855314_100000757094 [0,0,0,1,0,0|3,0,0]=4 4004 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [0,0,0,1,0,0|1,0,2]=4 4005 B12R1.272 O=CCCCCCNC1COC1 2230a_100016991112_100000139337 [0,0,0,1,0,0|2,0,1]=4 4006 B12R1.272 O=CCCCCCOC1CSC1 7a_100000072292_100000139337 [0,0,0,1,0,0|2,0,1]=4 4007 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [0,0,0,1,0,0|1,0,2]=4 4008 B12R1.272 O=CCCCCCSC1COC1 62a_100000139337_100009818527 [0,0,0,1,0,0|2,0,1]=4 4009 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [0,0,0,1,0,0|1,0,2]=4 4010 B12R1.272 O=CCCCCNCC1COC1 2230a_100015281925_100000139335 [0,0,0,1,0,0|2,0,1]=4 4011 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [0,0,0,1,0,0|2,0,1]=4 4012 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [0,0,0,1,0,0|1,0,2]=4 4013 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [0,0,0,1,0,0|1,0,2]=4 4014 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [0,0,0,1,0,0|2,0,1]=4 4015 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [0,0,0,1,0,0|2,0,1]=4 4016 B12R1.272 O=CCCCCSCC1COC1 62a_100000139335_100010264016 [0,0,0,1,0,0|2,0,1]=4 4017 B12R1.272 O=CCCCCSCC1COC1 62a_100010264016_100000139335 [0,0,0,1,0,0|2,0,1]=4 4018 B12R1.320 C=CCCN1CCC[C@H]1COC 2230a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 4019 B12R1.320 C=CCCN1CCC[C@H]1COC 269982a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 4020 B12R1.320 C=CCCN1CCC[C@H]1COC 34a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 4021 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [0,0,0,1,0,0|2,0,1]=4 4022 B12R1.329 C#CCOC1C=CCCCCC1 34a_100000688657_100000184674 [0,0,0,1,0,0|2,0,1]=4 4023 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [0,0,0,1,0,0|2,0,1]=4 4024 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [0,0,0,1,0,0|2,0,1]=4 4025 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [0,0,0,1,0,0|2,0,1]=4 4026 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [0,0,0,1,0,0|2,0,1]=4 4027 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [0,0,0,1,0,0|2,0,1]=4 4028 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [0,0,0,1,0,0|2,0,1]=4 4029 B12R1.329 C=CCOC1C=CCCCCC1 34a_100000688657_100015514636 [0,0,0,1,0,0|2,0,0]=3 4030 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,0,0,1,0,0|2,0,1]=4 4031 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,0,0,1,0,0|2,0,1]=4 4032 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,0,0,1,0,0|2,0,1]=4 4033 B12R1.329 CSCOC1C=CCCCCC1 34a_100000688657_100011218213 [0,0,0,1,0,0|3,0,0]=4 4034 B12R1.329 FCCOC1C=CCCCCC1 34a_100000688657_100011217306 [0,0,0,1,0,0|2,0,1]=4 4035 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [0,0,0,1,0,0|1,0,2]=4 4036 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [0,0,0,1,0,0|1,0,2]=4 4037 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [0,0,0,1,0,0|1,0,0]=2 4038 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,0,0,1,0,0|1,0,2]=4 4039 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,0,0,1,0,0|1,0,2]=4 4040 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [0,0,0,1,0,0|1,0,2]=4 4041 B12R1.372 C#CCCCNC1CCCC1=O 34a_100000718082_100000709159 [0,0,0,1,0,0|1,0,2]=4 4042 B12R1.372 C#CCCCOC1CCCC1=O 34a_100000215630_100000709159 [0,0,0,1,0,0|1,0,2]=4 4043 B12R1.372 C#CCCCOC1CCCC1=O 34a_200000719330_100000695029 [0,0,0,1,0,0|1,0,2]=4 4044 B12R1.372 C#CCCCOC1CCCC1=O 7a_100000215630_100000211823 [0,0,0,1,0,0|1,0,2]=4 4045 B12R1.372 C#CCCCSC1CCCC1=O 62a_100000211823_100011215417 [0,0,0,1,0,0|1,0,2]=4 4046 B12R1.372 C#CCCCSC1CCCC1=O 62a_100011215417_100000211823 [0,0,0,1,0,0|1,0,2]=4 4047 B12R1.372 C/C=C/CCOC1CCCC1=O 34a_100016278192_100000709159 [0,0,0,1,0,0|1,0,2]=4 4048 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [0,0,0,1,0,0|2,0,1]=4 4049 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [0,0,0,1,0,0|2,0,1]=4 4050 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [0,0,0,1,0,0|2,0,1]=4 4051 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [0,0,0,1,0,0|2,0,1]=4 4052 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [0,0,0,1,0,0|2,0,1]=4 4053 B12R1.372 C=CCCCNC1CCCC1=O 2230a_100000700776_100000211823 [0,0,0,1,0,0|1,0,0]=2 4054 B12R1.372 C=CCCCNC1CCCC1=O 34a_100000700776_100000709159 [0,0,0,1,0,0|1,0,0]=2 4055 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [0,0,0,1,0,0|2,0,1]=4 4056 B12R1.372 C=CCCCNC1CCNC1=O 2230a_100016995588_100011713584 [0,0,0,1,0,0|2,0,0]=3 4057 B12R1.372 C=CCCCNC1CCNC1=O 34a_100016995588_100000757094 [0,0,0,1,0,0|2,0,0]=3 4058 B12R1.372 C=CCCCNC1CCOC1=O 2230a_100000700776_100000211211 [0,0,0,1,0,0|2,0,0]=3 4059 B12R1.372 C=CCCCNC1CCOC1=O 34a_100000700776_100000211211 [0,0,0,1,0,0|2,0,0]=3 4060 B12R1.372 C=CCCCN[C@@H]1CONC1=O 2230a_100000765999_100011713584 [0,0,0,1,0,0|3,0,0]=4 4061 B12R1.372 C=CCCCN[C@@H]1CONC1=O 34a_100000765999_100000757094 [0,0,0,1,0,0|3,0,0]=4 4062 B12R1.372 C=CCCCOC1CCCC1=O 34a_100000758997_100000709159 [0,0,0,1,0,0|1,0,0]=2 4063 B12R1.372 C=CCCCOC1CCCC1=O 34a_200000719330_100000757094 [0,0,0,1,0,0|1,0,0]=2 4064 B12R1.372 C=CCCCOC1CCCC1=O 7a_100000758997_100000211823 [0,0,0,1,0,0|1,0,0]=2 4065 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [0,0,0,1,0,0|2,0,1]=4 4066 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [0,0,0,1,0,0|2,0,1]=4 4067 B12R1.372 C=CCCCOC1CCOC1=O 34a_100000758997_100000211211 [0,0,0,1,0,0|2,0,0]=3 4068 B12R1.372 C=CCCCOC1CCOC1=O 7a_100000758997_100000211211 [0,0,0,1,0,0|2,0,0]=3 4069 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757094 [0,0,0,1,0,0|2,0,1]=4 4070 B12R1.372 C=CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757094 [0,0,0,1,0,0|2,0,1]=4 4071 B12R1.372 C=CCCCO[C@H]1CCNC1=O 34a_100000688343_100000757094 [0,0,0,1,0,0|2,0,0]=3 4072 B12R1.372 C=CCCCSC1CCCC1=O 62a_100000211823_100000757094 [0,0,0,1,0,0|1,0,0]=2 4073 B12R1.372 C=CCCCSC1CCCC1=O 62a_100011713584_100000211823 [0,0,0,1,0,0|1,0,0]=2 4074 B12R1.372 C=CCCCSC1CCOC1=O 62a_100000211211_100000757094 [0,0,0,1,0,0|2,0,0]=3 4075 B12R1.372 C=CCCCSC1CCOC1=O 62a_100011713584_100000211211 [0,0,0,1,0,0|2,0,0]=3 4076 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_100011713584_200016002552 [0,0,0,1,0,0|1,0,2]=4 4077 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757094 [0,0,0,1,0,0|1,0,2]=4 4078 B12R1.372 C=CCCOCC1=CCCC1=O 34a_100000087531_100000754431 [0,0,0,1,0,0|1,0,2]=4 4079 B12R1.372 C=CCCOCC1CCCN1C 34a_100000743107_100000754431 [0,0,0,1,0,0|3,0,0]=4 4080 B12R1.372 C=CCCOCC1CCNC1=O 34a_100000133458_100000754431 [0,0,0,1,0,0|2,0,0]=3 4081 B12R1.372 C=CCCSCN1CCCC1=O 62a_100000026320_100000754431 [0,0,0,1,0,0|2,0,0]=3 4082 B12R1.372 C=CCCSCN1CCCC1=O 62a_100000754431_100000026320 [0,0,0,1,0,0|2,0,0]=3 4083 B12R1.372 C=CCNCCC1CCCN1C 2230a_100020586998_100000005710 [0,0,0,1,0,0|3,0,0]=4 4084 B12R1.372 C=CCNCCN1CCCC1=O 2230a_100011200922_100000210623 [0,0,0,1,0,0|2,0,0]=3 4085 B12R1.372 C=CCNCCN1CCCC1=O 2230a_100020586998_100000739059 [0,0,0,1,0,0|2,0,0]=3 4086 B12R1.372 C=CCNCCN1CCNC1=O 2230a_100011207550_100000210623 [0,0,0,1,0,0|3,0,0]=4 4087 B12R1.372 C=CCNCCN1CCNC1=O 2230a_100020586998_100000090651 [0,0,0,1,0,0|3,0,0]=4 4088 B12R1.372 C=CCOCCC1CCCN1C 34a_100011215177_100015514636 [0,0,0,1,0,0|3,0,0]=4 4089 B12R1.372 C=CCOCCC1CCCN1C 34a_200000210373_100000005710 [0,0,0,1,0,0|3,0,0]=4 4090 B12R1.372 C=CCOCCC1CCCN1C 7a_100011215177_100015514636 [0,0,0,1,0,0|3,0,0]=4 4091 B12R1.372 C=CCOCCN1CCCC1=O 34a_100000211209_100015514636 [0,0,0,1,0,0|2,0,0]=3 4092 B12R1.372 C=CCOCCN1CCCC1=O 34a_200000210373_100000739059 [0,0,0,1,0,0|2,0,0]=3 4093 B12R1.372 C=CCOCCN1CCCC1=O 7a_100000211209_100015514636 [0,0,0,1,0,0|2,0,0]=3 4094 B12R1.372 C=CCOCCN1CCNC1=O 34a_100000216532_100015514636 [0,0,0,1,0,0|3,0,0]=4 4095 B12R1.372 C=CCSCCC1CCCN1C 62a_100000005710_100000210623 [0,0,0,1,0,0|3,0,0]=4 4096 B12R1.372 C=CCSCCC1CCCN1C 62a_100000210623_100000005710 [0,0,0,1,0,0|3,0,0]=4 4097 B12R1.372 C=CCSCCN1CCCC1=O 62a_100000210623_100000739059 [0,0,0,1,0,0|2,0,0]=3 4098 B12R1.372 C=CCSCCN1CCCC1=O 62a_100000739059_100000210623 [0,0,0,1,0,0|2,0,0]=3 4099 B12R1.372 C=CCSCCN1CCNC1=O 62a_100000090651_100000210623 [0,0,0,1,0,0|3,0,0]=4 4100 B12R1.372 C=CCSCCN1CCNC1=O 62a_100000210623_100000090651 [0,0,0,1,0,0|3,0,0]=4 4101 B12R1.372 C=COCCNC1CCNC1=O 2230a_100016995588_100000039644 [0,0,0,1,0,0|3,0,0]=4 4102 B12R1.372 C=COCCNC1CCNC1=O 34a_100016995588_100000039644 [0,0,0,1,0,0|3,0,0]=4 4103 B12R1.372 C=COCCOC1CCCC1=O 34a_100000033082_100000709159 [0,0,0,1,0,0|2,0,0]=3 4104 B12R1.372 C=COCCOC1CCCC1=O 34a_200000719330_100000039644 [0,0,0,1,0,0|2,0,0]=3 4105 B12R1.372 C=COCCOC1CCOC1=O 34a_100000033082_100000211211 [0,0,0,1,0,0|3,0,0]=4 4106 B12R1.372 C=COCCO[C@H]1CCNC1=O 34a_100000688343_100000039644 [0,0,0,1,0,0|3,0,0]=4 4107 B12R1.372 C=COCCSC1CCCC1=O 62a_100000039644_100000211823 [0,0,0,1,0,0|2,0,0]=3 4108 B12R1.372 C=COCCSC1CCCC1=O 62a_100000211823_100000039644 [0,0,0,1,0,0|2,0,0]=3 4109 B12R1.372 C=COCCSC1CCOC1=O 62a_100000039644_100000211211 [0,0,0,1,0,0|3,0,0]=4 4110 B12R1.372 C=COCCSC1CCOC1=O 62a_100000211211_100000039644 [0,0,0,1,0,0|3,0,0]=4 4111 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [0,0,0,1,0,0|1,0,2]=4 4112 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,0,0,1,0,0|1,0,2]=4 4113 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,0,0,1,0,0|1,0,2]=4 4114 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,0,0,1,0,0|1,0,2]=4 4115 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,0,0,1,0,0|1,0,2]=4 4116 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,0,0,1,0,0|1,0,2]=4 4117 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,0,0,1,0,0|1,0,2]=4 4118 B12R1.372 CN1CCCC1CCOCC=O 34a_100011215177_200009817547 [0,0,0,1,0,0|2,0,1]=4 4119 B12R1.372 CN1CCCC1CCOCC=O 7a_100011215177_200015260668 [0,0,0,1,0,0|2,0,1]=4 4120 B12R1.372 CN1CCCC1CCSCC=O 62a_100000005710_200015260668 [0,0,0,1,0,0|2,0,1]=4 4121 B12R1.372 CN1CCCC1CCSCC=O 62a_200015260668_100000005710 [0,0,0,1,0,0|2,0,1]=4 4122 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,0,0,1,0,0|2,0,1]=4 4123 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,0,0,1,0,0|2,0,1]=4 4124 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,0,0,1,0,0|2,0,1]=4 4125 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,0,0,1,0,0|2,0,1]=4 4126 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,0,0,1,0,0|2,0,1]=4 4127 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,0,0,1,0,0|2,0,1]=4 4128 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,0,0,1,0,0|2,0,1]=4 4129 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,0,0,1,0,0|2,0,1]=4 4130 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,0,0,1,0,0|2,0,1]=4 4131 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [0,0,0,1,0,0|1,0,2]=4 4132 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 [0,0,0,1,0,0|1,0,2]=4 4133 B12R1.372 C[C@H]1CCCN1CCCCC=O 2230a_100020605311_100000139335 [0,0,0,1,0,0|1,0,2]=4 4134 B12R1.372 C[C@H]1CCCN1CCCCC=O 269982a_100020605311_100000139335 [0,0,0,1,0,0|1,0,2]=4 4135 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000211823_100000687738 [0,0,0,1,0,0|2,0,1]=4 4136 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000687738_100000211823 [0,0,0,1,0,0|2,0,1]=4 4137 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,0,0,1,0,0|2,0,1]=4 4138 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,0,0,1,0,0|2,0,1]=4 4139 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,0,0,1,0,0|2,0,1]=4 4140 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,0,0,1,0,0|2,0,1]=4 4141 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,0,0,1,0,0|2,0,1]=4 4142 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,0,0,1,0,0|2,0,1]=4 4143 B12R1.372 O=C1CCCC1OCCCCF 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[0,0,0,1,0,0|1,0,2]=4 4250 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,0,0,1,0,0|1,0,2]=4 4251 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,0,0,1,0,0|1,0,2]=4 4252 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,0,0,1,0,0|1,0,2]=4 4253 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,0,0,1,0,0|1,0,2]=4 4254 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,0,0,1,0,0|1,0,2]=4 4255 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,0,0,1,0,0|1,0,2]=4 4256 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,0,0,1,0,0|1,0,2]=4 4257 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,0,0,1,0,0|1,0,2]=4 4258 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,0,0,1,0,0|2,0,1]=4 4259 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,0,0,1,0,0|2,0,1]=4 4260 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,0,0,1,0,0|2,0,1]=4 4261 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,0,0,1,0,0|2,0,1]=4 4262 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,0,0,1,0,0|2,0,1]=4 4263 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,0,0,1,0,0|2,0,1]=4 4264 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,0,0,1,0,0|2,0,1]=4 4265 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,0,0,1,0,0|2,0,1]=4 4266 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,0,0,1,0,0|2,0,1]=4 4267 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,0,0,1,0,0|2,0,1]=4 4268 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,0,0,1,0,0|2,0,1]=4 4269 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,0,0,1,0,0|2,0,1]=4 4270 B12R1.383 N#CCCCCSC1CCC1=O 62a_100009892977_100000211819 [0,0,0,1,0,0|2,0,1]=4 4271 B12R1.383 N#CCCCCSC1CCC1=O 62a_100011219923_100009892977 [0,0,0,1,0,0|2,0,1]=4 4272 B12R1.383 N#CCCSCCC1CCC1=O 62a_100011215226_200016118888 [0,0,0,1,0,0|2,0,1]=4 4273 B12R1.383 N#CCCSCCC1CCC1=O 62a_200016118888_100011215226 [0,0,0,1,0,0|2,0,1]=4 4274 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,0,0,1,0,0|2,0,1]=4 4275 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,0,0,1,0,0|2,0,1]=4 4276 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,0,0,1,0,0|2,0,1]=4 4277 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,0,0,1,0,0|2,0,1]=4 4278 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,0,0,1,0,0|2,0,1]=4 4279 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,0,0,1,0,0|2,0,1]=4 4280 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,0,0,1,0,0|2,0,1]=4 4281 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,0,0,1,0,0|2,0,1]=4 4282 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,0,0,1,0,0|2,0,1]=4 4283 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,0,0,1,0,0|2,0,1]=4 4284 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,0,0,1,0,0|2,0,1]=4 4285 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,0,0,1,0,0|2,0,1]=4 4286 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,0,0,1,0,0|2,0,1]=4 4287 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,0,0,1,0,0|2,0,1]=4 4288 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,0,0,1,0,0|2,0,1]=4 4289 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,0,0,1,0,0|2,0,1]=4 4290 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,0,0,1,0,0|2,0,1]=4 4291 B12R1.383 O=CCCCCSC1CCC1=O 62a_100000139335_100009892977 [0,0,0,1,0,0|2,0,0]=3 4292 B12R1.383 O=CCCCCSC1CCC1=O 62a_100009892977_100000139335 [0,0,0,1,0,0|2,0,0]=3 4293 B12R1.458 C=CCCCN1CCC1COC 2230a_100015195929_100011713584 [0,0,0,1,0,0|3,0,0]=4 4294 B12R1.458 C=CCCCN1CCC1COC 269982a_100015195929_100000757094 [0,0,0,1,0,0|3,0,0]=4 4295 B12R1.458 C=CCCCN1CCC1COC 34a_100015195929_100000757094 [0,0,0,1,0,0|3,0,0]=4 4296 B12R1.458 COCC1CCN1CCCC=O 2230a_100015195929_200011292268 [0,0,0,1,0,0|2,0,1]=4 4297 B12R1.458 COCC1CCN1CCCC=O 269982a_100015195929_200011292268 [0,0,0,1,0,0|2,0,1]=4 4298 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [0,0,0,1,0,0|2,0,1]=4 4299 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [0,0,0,1,0,0|2,0,1]=4 4300 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [0,0,0,1,0,0|2,0,1]=4 4301 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [0,0,0,1,0,0|2,0,1]=4 4302 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [0,0,0,1,0,0|2,0,1]=4 4303 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [0,0,0,1,0,0|2,0,1]=4 4304 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,0,0,1,0,0|2,0,1]=4 4305 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,0,0,1,0,0|2,0,1]=4 4306 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,0,0,1,0,0|2,0,1]=4 4307 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [0,0,0,1,0,0|2,0,1]=4 4308 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [0,0,0,1,0,0|2,0,1]=4 4309 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [0,0,0,1,0,0|2,0,1]=4 4310 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [0,0,0,1,0,0|2,0,1]=4 4311 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [0,0,0,1,0,0|2,0,1]=4 4312 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,0,0,1,0,0|2,0,1]=4 4313 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,0,0,1,0,0|2,0,1]=4 4314 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,0,0,1,0,0|2,0,1]=4 4315 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [0,0,0,1,0,0|2,0,1]=4 4316 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [0,0,0,1,0,0|2,0,1]=4 4317 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [0,0,0,1,0,0|1,0,2]=4 4318 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [0,0,0,1,0,0|1,0,2]=4 4319 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [0,0,0,1,0,0|1,0,2]=4 4320 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [0,0,0,1,0,0|1,0,2]=4 4321 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [0,0,0,1,0,0|1,0,2]=4 4322 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [0,0,0,1,0,0|1,0,2]=4 4323 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [0,0,0,1,0,0|1,0,2]=4 4324 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [0,0,0,1,0,0|1,0,2]=4 4325 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,0]=3 4326 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,0]=3 4327 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,0]=3 4328 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,0]=3 4329 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,0]=3 4330 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,0]=3 4331 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,0]=3 4332 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,0]=3 4333 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,0]=3 4334 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,0]=3 4335 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,0]=3 4336 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,0]=3 4337 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,0]=3 4338 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,0]=3 4339 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,0]=3 4340 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,0]=3 4341 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 4342 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 4343 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,0]=3 4344 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,0]=3 4345 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [2,0,0,0,0,0|2,0,0]=4 4346 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [2,0,0,0,0,0|2,0,0]=4 4347 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [2,0,0,0,0,0|1,0,1]=4 4348 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [2,0,0,0,0,0|1,0,1]=4 4349 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [2,0,0,0,0,0|1,0,1]=4 4350 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [2,0,0,0,0,0|1,0,0]=3 4351 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [2,0,0,0,0,0|1,0,0]=3 4352 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,0]=3 4353 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,0]=3 4354 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 4355 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 4356 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [2,0,0,0,0,0|2,0,0]=4 4357 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [2,0,0,0,0,0|1,0,1]=4 4358 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [2,0,0,0,0,0|1,0,1]=4 4359 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [2,0,0,0,0,0|1,0,1]=4 4360 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [2,0,0,0,0,0|1,0,1]=4 4361 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [2,0,0,0,0,0|2,0,0]=4 4362 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [2,0,0,0,0,0|2,0,0]=4 4363 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [2,0,0,0,0,0|2,0,0]=4 4364 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [2,0,0,0,0,0|1,0,1]=4 4365 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [2,0,0,0,0,0|1,0,1]=4 4366 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [2,0,0,0,0,0|1,0,1]=4 4367 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [2,0,0,0,0,0|1,0,0]=3 4368 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [2,0,0,0,0,0|1,0,0]=3 4369 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [2,0,0,0,0,0|2,0,0]=4 4370 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,0]=3 4371 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,0]=3 4372 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,0]=3 4373 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 4374 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 4375 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [2,0,0,0,0,0|2,0,0]=4 4376 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [2,0,0,0,0,0|1,0,1]=4 4377 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [2,0,0,0,0,0|1,0,1]=4 4378 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [2,0,0,0,0,0|2,0,0]=4 4379 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [2,0,0,0,0,0|1,0,1]=4 4380 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [2,0,0,0,0,0|1,0,1]=4 4381 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [2,0,0,0,0,0|1,0,0]=3 4382 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [2,0,0,0,0,0|1,0,0]=3 4383 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,0]=3 4384 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,0]=3 4385 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [2,0,0,0,0,0|2,0,0]=4 4386 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [2,0,0,0,0,0|2,0,0]=4 4387 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [2,0,0,0,0,0|1,0,1]=4 4388 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [2,0,0,0,0,0|1,0,1]=4 4389 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [2,0,0,0,0,0|2,0,0]=4 4390 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [2,0,0,0,0,0|2,0,0]=4 4391 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [2,0,0,0,0,0|2,0,0]=4 4392 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [2,0,0,0,0,0|2,0,0]=4 4393 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [2,0,0,0,0,0|1,0,1]=4 4394 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [2,0,0,0,0,0|1,0,1]=4 4395 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [2,0,0,0,0,0|1,0,1]=4 4396 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,0]=3 4397 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,0]=3 4398 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,0]=3 4399 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,0]=3 4400 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 4401 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [2,0,0,0,0,0|2,0,0]=4 4402 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 4403 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [2,0,0,0,0,0|2,0,0]=4 4404 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [2,0,0,0,0,0|1,0,1]=4 4405 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [2,0,0,0,0,0|1,0,1]=4 4406 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [2,0,0,0,0,0|2,0,0]=4 4407 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [2,0,0,0,0,0|2,0,0]=4 4408 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [2,0,0,0,0,0|2,0,0]=4 4409 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [2,0,0,0,0,0|2,0,0]=4 4410 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [2,0,0,0,0,0|2,0,0]=4 4411 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [2,0,0,0,0,0|2,0,0]=4 4412 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [2,0,0,0,0,0|1,0,1]=4 4413 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [2,0,0,0,0,0|1,0,1]=4 4414 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [2,0,0,0,0,0|1,0,1]=4 4415 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [2,0,0,0,0,0|2,0,0]=4 4416 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,0]=3 4417 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,0]=3 4418 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,0]=3 4419 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,0]=3 4420 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [2,0,0,0,0,0|2,0,0]=4 4421 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 4422 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [2,0,0,0,0,0|2,0,0]=4 4423 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 4424 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [2,0,0,0,0,0|2,0,0]=4 4425 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [2,0,0,0,0,0|1,0,1]=4 4426 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [2,0,0,0,0,0|1,0,1]=4 4427 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [2,0,0,0,0,0|2,0,0]=4 4428 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [2,0,0,0,0,0|2,0,0]=4 4429 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [2,0,0,0,0,0|2,0,0]=4 4430 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [2,0,0,0,0,0|2,0,0]=4 4431 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [2,0,0,0,0,0|2,0,0]=4 4432 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [2,0,0,0,0,0|2,0,0]=4 4433 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [2,0,0,0,0,0|2,0,0]=4 4434 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [2,0,0,0,0,0|1,0,1]=4 4435 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [2,0,0,0,0,0|1,0,1]=4 4436 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,0]=3 4437 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,0]=3 4438 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [2,0,0,0,0,0|2,0,0]=4 4439 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [2,0,0,0,0,0|2,0,0]=4 4440 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [2,0,0,0,0,0|1,0,1]=4 4441 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [2,0,0,0,0,0|1,0,1]=4 4442 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [2,0,0,0,0,0|2,0,0]=4 4443 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [2,0,0,0,0,0|2,0,0]=4 4444 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [2,0,0,0,0,0|2,0,0]=4 4445 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [2,0,0,0,0,0|2,0,0]=4 4446 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [2,0,0,0,0,0|2,0,0]=4 4447 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [2,0,0,0,0,0|2,0,0]=4 4448 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [2,0,0,0,0,0|1,0,0]=3 4449 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,0]=3 4450 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,0]=3 4451 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [2,0,0,0,0,0|2,0,0]=4 4452 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [2,0,0,0,0,0|1,0,1]=4 4453 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [2,0,0,0,0,0|1,0,1]=4 4454 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [2,0,0,0,0,0|1,0,1]=4 4455 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [2,0,0,0,0,0|2,0,0]=4 4456 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [2,0,0,0,0,0|2,0,0]=4 4457 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [2,0,0,0,0,0|2,0,0]=4 4458 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [2,0,0,0,0,0|2,0,0]=4 4459 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [2,0,0,0,0,0|2,0,0]=4 4460 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [2,0,0,0,0,0|2,0,0]=4 4461 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [2,0,0,0,0,0|2,0,0]=4 4462 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [2,0,0,0,0,0|2,0,0]=4 4463 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [2,0,0,0,0,0|2,0,0]=4 4464 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,0]=3 4465 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,0]=3 4466 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,0]=3 4467 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 4468 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 4469 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [2,0,0,0,0,0|2,0,0]=4 4470 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 4471 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 4472 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [2,0,0,0,0,0|2,0,0]=4 4473 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [2,0,0,0,0,0|2,0,0]=4 4474 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [2,0,0,0,0,0|1,0,1]=4 4475 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [2,0,0,0,0,0|2,0,0]=4 4476 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [2,0,0,0,0,0|2,0,0]=4 4477 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [2,0,0,0,0,0|2,0,0]=4 4478 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [2,0,0,0,0,0|2,0,0]=4 4479 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [2,0,0,0,0,0|2,0,0]=4 4480 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [2,0,0,0,0,0|2,0,0]=4 4481 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [2,0,0,0,0,0|2,0,0]=4 4482 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [2,0,0,0,0,0|2,0,0]=4 4483 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [2,0,0,0,0,0|2,0,0]=4 4484 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [2,0,0,0,0,0|2,0,0]=4 4485 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [2,0,0,0,0,0|2,0,0]=4 4486 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [2,0,0,0,0,0|1,0,0]=3 4487 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [2,0,0,0,0,0|1,0,0]=3 4488 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,0]=3 4489 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,0]=3 4490 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [2,0,0,0,0,0|2,0,0]=4 4491 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [2,0,0,0,0,0|2,0,0]=4 4492 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [2,0,0,0,0,0|1,0,1]=4 4493 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [2,0,0,0,0,0|1,0,1]=4 4494 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [2,0,0,0,0,0|2,0,0]=4 4495 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [2,0,0,0,0,0|2,0,0]=4 4496 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [2,0,0,0,0,0|2,0,0]=4 4497 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [2,0,0,0,0,0|2,0,0]=4 4498 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [2,0,0,0,0,0|2,0,0]=4 4499 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [2,0,0,0,0,0|2,0,0]=4 4500 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [2,0,0,0,0,0|1,0,0]=3 4501 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,0]=3 4502 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,0]=3 4503 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [2,0,0,0,0,0|2,0,0]=4 4504 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [2,0,0,0,0,0|1,0,1]=4 4505 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [2,0,0,0,0,0|1,0,1]=4 4506 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [2,0,0,0,0,0|1,0,1]=4 4507 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [2,0,0,0,0,0|2,0,0]=4 4508 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [2,0,0,0,0,0|2,0,0]=4 4509 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [2,0,0,0,0,0|2,0,0]=4 4510 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [2,0,0,0,0,0|2,0,0]=4 4511 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [2,0,0,0,0,0|2,0,0]=4 4512 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [2,0,0,0,0,0|2,0,0]=4 4513 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [2,0,0,0,0,0|2,0,0]=4 4514 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [2,0,0,0,0,0|2,0,0]=4 4515 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [2,0,0,0,0,0|2,0,0]=4 4516 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 4517 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 4518 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,0]=3 4519 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,0]=3 4520 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,0]=3 4521 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 4522 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 4523 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [2,0,0,0,0,0|2,0,0]=4 4524 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 4525 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 4526 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [2,0,0,0,0,0|2,0,0]=4 4527 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [2,0,0,0,0,0|1,0,1]=4 4528 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [2,0,0,0,0,0|2,0,0]=4 4529 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [2,0,0,0,0,0|2,0,0]=4 4530 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [2,0,0,0,0,0|2,0,0]=4 4531 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [2,0,0,0,0,0|2,0,0]=4 4532 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [2,0,0,0,0,0|2,0,0]=4 4533 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [2,0,0,0,0,0|2,0,0]=4 4534 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [2,0,0,0,0,0|2,0,0]=4 4535 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [2,0,0,0,0,0|2,0,0]=4 4536 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [2,0,0,0,0,0|2,0,0]=4 4537 B9R0.45 C=CCOCCOCC=O 34a_100000037705_200009817547 [2,0,0,0,0,0|2,0,0]=4 4538 B9R0.45 C=CCOCCOCC=O 7a_100000037705_200015260668 [2,0,0,0,0,0|2,0,0]=4 4539 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [2,0,0,0,0,0|2,0,0]=4 4540 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [2,0,0,0,0,0|2,0,0]=4 4541 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [2,0,0,0,0,0|2,0,0]=4 4542 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [2,0,0,0,0,0|2,0,0]=4 4543 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [2,0,0,0,0,0|2,0,0]=4 4544 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [2,0,0,0,0,0|2,0,0]=4 4545 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [2,0,0,0,0,0|2,0,0]=4 4546 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [2,0,0,0,0,0|2,0,0]=4 4547 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [2,0,0,0,0,0|1,0,0]=3 4548 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [2,0,0,0,0,0|1,0,0]=3 4549 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,0]=3 4550 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,0]=3 4551 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [2,0,0,0,0,0|2,0,0]=4 4552 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [2,0,0,0,0,0|2,0,0]=4 4553 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [2,0,0,0,0,0|1,0,1]=4 4554 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [2,0,0,0,0,0|1,0,1]=4 4555 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [2,0,0,0,0,0|2,0,0]=4 4556 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [2,0,0,0,0,0|2,0,0]=4 4557 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [2,0,0,0,0,0|2,0,0]=4 4558 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [2,0,0,0,0,0|2,0,0]=4 4559 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [2,0,0,0,0,0|2,0,0]=4 4560 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [2,0,0,0,0,0|2,0,0]=4 4561 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [2,0,0,0,0,0|2,0,0]=4 4562 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [2,0,0,0,0,0|2,0,0]=4 4563 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 4564 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 4565 B9R0.45 C=COCCCNCC=O 2230a_100000210767_200015260668 [2,0,0,0,0,0|2,0,0]=4 4566 B9R0.45 C=COCCCNCC=O 34a_100000210767_200009817547 [2,0,0,0,0,0|2,0,0]=4 4567 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 4568 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 4569 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [2,0,0,0,0,0|2,0,0]=4 4570 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [2,0,0,0,0,0|2,0,0]=4 4571 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [2,0,0,0,0,0|2,0,0]=4 4572 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 4573 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 4574 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [2,0,0,0,0,0|2,0,0]=4 4575 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [2,0,0,0,0,0|2,0,0]=4 4576 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 4577 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 4578 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 4579 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,1]=4 4580 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 4581 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 4582 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 4583 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 4584 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,1]=4 4585 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,1]=4 4586 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 4587 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,1]=4 4588 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,1]=4 4589 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,1]=4 4590 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,1]=4 4591 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,1]=4 4592 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,0]=3 4593 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,0]=3 4594 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,0]=3 4595 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,0]=3 4596 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,0]=3 4597 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,0]=3 4598 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,0]=3 4599 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,0]=3 4600 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [2,0,0,0,0,0|2,0,0]=4 4601 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [2,0,0,0,0,0|2,0,0]=4 4602 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,0]=3 4603 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,0]=3 4604 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [2,0,0,0,0,0|2,0,0]=4 4605 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [2,0,0,0,0,0|2,0,0]=4 4606 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|2,0,0]=4 4607 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|2,0,0]=4 4608 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [2,0,0,0,0,0|2,0,0]=4 4609 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [2,0,0,0,0,0|2,0,0]=4 4610 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,0]=3 4611 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,0]=3 4612 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [2,0,0,0,0,0|2,0,0]=4 4613 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [2,0,0,0,0,0|2,0,0]=4 4614 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [2,0,0,0,0,0|2,0,0]=4 4615 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,0]=3 4616 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [2,0,0,0,0,0|2,0,0]=4 4617 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [2,0,0,0,0,0|2,0,0]=4 4618 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [2,0,0,0,0,0|2,0,0]=4 4619 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [2,0,0,0,0,0|2,0,0]=4 4620 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [2,0,0,0,0,0|2,0,0]=4 4621 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [2,0,0,0,0,0|2,0,0]=4 4622 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [2,0,0,0,0,0|2,0,0]=4 4623 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [2,0,0,0,0,0|2,0,0]=4 4624 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,0]=3 4625 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,0]=3 4626 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [2,0,0,0,0,0|2,0,0]=4 4627 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [2,0,0,0,0,0|2,0,0]=4 4628 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|2,0,0]=4 4629 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [2,0,0,0,0,0|2,0,0]=4 4630 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [2,0,0,0,0,0|2,0,0]=4 4631 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [2,0,0,0,0,0|2,0,0]=4 4632 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [2,0,0,0,0,0|2,0,0]=4 4633 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [2,0,0,0,0,0|2,0,0]=4 4634 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [2,0,0,0,0,0|2,0,0]=4 4635 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [2,0,0,0,0,0|2,0,0]=4 4636 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [2,0,0,0,0,0|2,0,0]=4 4637 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [2,0,0,0,0,0|2,0,0]=4 4638 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [2,0,0,0,0,0|2,0,0]=4 4639 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [2,0,0,0,0,0|2,0,0]=4 4640 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [2,0,0,0,0,0|2,0,0]=4 4641 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [2,0,0,0,0,0|2,0,0]=4 4642 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [2,0,0,0,0,0|2,0,0]=4 4643 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [2,0,0,0,0,0|2,0,0]=4 4644 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 4645 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 4646 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 4647 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 4648 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [2,0,0,0,0,0|2,0,0]=4 4649 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [2,0,0,0,0,0|2,0,0]=4 4650 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 4651 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 4652 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 4653 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 4654 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 4655 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 4656 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 4657 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 4658 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 4659 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 4660 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 4661 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 4662 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 4663 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 4664 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 4665 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 4666 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 4667 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 4668 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 4669 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 4670 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 4671 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|0,0,2]=4 4672 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|0,0,2]=4 4673 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [1,1,0,0,0,0|1,0,1]=4 4674 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [1,1,0,0,0,0|0,0,2]=4 4675 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [1,1,0,0,0,0|0,0,2]=4 4676 B11R0.4 C=CCC(C)COCCCC=O 7a_100009832082_200011292268 [1,1,0,0,0,0|1,0,0]=3 4677 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [1,1,0,0,0,0|1,0,1]=4 4678 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [1,1,0,0,0,0|1,0,1]=4 4679 B11R0.4 C=CCC(C)COCCCCF 34a_100009832082_100000729493 [1,1,0,0,0,0|2,0,0]=4 4680 B11R0.4 C=CCC(C)COCCCCF 7a_100009832082_100000729493 [1,1,0,0,0,0|2,0,0]=4 4681 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [1,1,0,0,0,0|1,0,1]=4 4682 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [1,1,0,0,0,0|1,0,1]=4 4683 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100000210193_100000700193 [1,1,0,0,0,0|0,0,2]=4 4684 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100011934241_100000210623 [1,1,0,0,0,0|0,0,2]=4 4685 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,1,0,0,0,0|0,0,2]=4 4686 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,1,0,0,0,0|0,0,2]=4 4687 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [1,1,0,0,0,0|1,0,1]=4 4688 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [1,1,0,0,0,0|0,0,2]=4 4689 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [1,1,0,0,0,0|0,0,2]=4 4690 B11R0.4 C=CCCCCCN(C)CC=C 2230a_100000225617_100000700193 [1,1,0,0,0,0|1,0,1]=4 4691 B11R0.4 C=CCCCCCN(C)CC=C 269982a_100000225617_100000700193 [1,1,0,0,0,0|1,0,1]=4 4692 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [1,1,0,0,0,0|1,0,1]=4 4693 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [1,1,0,0,0,0|1,0,1]=4 4694 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [1,1,0,0,0,0|1,0,1]=4 4695 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [1,1,0,0,0,0|1,0,1]=4 4696 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [1,1,0,0,0,0|1,0,1]=4 4697 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [1,1,0,0,0,0|1,0,1]=4 4698 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [1,1,0,0,0,0|1,0,1]=4 4699 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [1,1,0,0,0,0|1,0,1]=4 4700 B11R0.4 C=CCCCCNC(C)CCO 2230a_100000703577_100009893172 [1,1,0,0,0,0|1,0,1]=4 4701 B11R0.4 C=CCCCCNC(C)CCO 34a_100000703577_100009893172 [1,1,0,0,0,0|1,0,1]=4 4702 B11R0.4 C=CCCCCN[C@H](C)CCO 2230a_100000706166_100011215482 [1,1,0,0,0,0|1,0,1]=4 4703 B11R0.4 C=CCCCCN[C@H](C)CCO 34a_100000706166_100011215482 [1,1,0,0,0,0|1,0,1]=4 4704 B11R0.4 C=CCCCCOC(C)CCBr 34a_100012276601_100011215482 [1,1,0,0,0,0|2,0,0]=4 4705 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [1,1,0,0,0,0|1,0,1]=4 4706 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [1,1,0,0,0,0|1,0,1]=4 4707 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [1,1,0,0,0,0|1,0,1]=4 4708 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [1,1,0,0,0,0|1,0,1]=4 4709 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [1,1,0,0,0,0|1,0,1]=4 4710 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [1,1,0,0,0,0|1,0,1]=4 4711 B11R0.4 C=CCCCCO[C@H](C)CC=C 34a_100000731007_100011215482 [1,1,0,0,0,0|1,0,1]=4 4712 B11R0.4 C=CCCCCO[C@H](C)CC=C 7a_100000731007_100011215482 [1,1,0,0,0,0|1,0,1]=4 4713 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [1,1,0,0,0,0|1,0,1]=4 4714 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [1,1,0,0,0,0|1,0,1]=4 4715 B11R0.4 C=CCCCCSC(C)CCO 62a_100009893172_100011215482 [1,1,0,0,0,0|1,0,1]=4 4716 B11R0.4 C=CCCCCSC(C)CCO 62a_100011215482_100009893172 [1,1,0,0,0,0|1,0,1]=4 4717 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [1,1,0,0,0,0|1,0,1]=4 4718 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [1,1,0,0,0,0|1,0,1]=4 4719 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [1,1,0,0,0,0|1,0,1]=4 4720 B11R0.4 C=CCCCOCC(C)CC=C 34a_100009832082_100000757094 [1,1,0,0,0,0|1,0,1]=4 4721 B11R0.4 C=CCCCOCC(C)CC=C 7a_100009832082_100000757094 [1,1,0,0,0,0|1,0,1]=4 4722 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [1,1,0,0,0,0|1,0,1]=4 4723 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [1,1,0,0,0,0|1,0,1]=4 4724 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [1,1,0,0,0,0|1,0,1]=4 4725 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [1,1,0,0,0,0|1,0,1]=4 4726 B11R0.4 C=CCCCOCC(C)CCN 34a_106354213184_100000757094 [1,1,0,0,0,0|2,0,0]=4 4727 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [1,1,0,0,0,0|1,0,1]=4 4728 B11R0.4 C=CCCCOC[C@H](N)CC=C 34a_100020615467_100000757094 [1,1,0,0,0,0|1,0,1]=4 4729 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [1,1,0,0,0,0|1,0,1]=4 4730 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [1,1,0,0,0,0|1,0,1]=4 4731 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [1,1,0,0,0,0|1,0,1]=4 4732 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [1,1,0,0,0,0|1,0,1]=4 4733 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [1,1,0,0,0,0|1,0,1]=4 4734 B11R0.4 C=CCN(C)CCCCCC=O 2230a_100000225617_100000139337 [1,1,0,0,0,0|1,0,0]=3 4735 B11R0.4 C=CCN(C)CCCCCC=O 269982a_100000225617_100000139337 [1,1,0,0,0,0|1,0,0]=3 4736 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [1,1,0,0,0,0|1,0,1]=4 4737 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [1,1,0,0,0,0|1,0,1]=4 4738 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [1,1,0,0,0,0|1,0,1]=4 4739 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [1,1,0,0,0,0|1,0,1]=4 4740 B11R0.4 C=CCN(C)CCCCCCF 2230a_100000225617_100015922095 [1,1,0,0,0,0|2,0,0]=4 4741 B11R0.4 C=CCN(C)CCCCCCF 269982a_100000225617_100015922095 [1,1,0,0,0,0|2,0,0]=4 4742 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [1,1,0,0,0,0|1,0,1]=4 4743 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [1,1,0,0,0,0|1,0,1]=4 4744 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [1,1,0,0,0,0|1,0,1]=4 4745 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [1,1,0,0,0,0|1,0,1]=4 4746 B11R0.4 C=CC[C@@H](C)OCCCCC=O 7a_100000731007_100000139335 [1,1,0,0,0,0|1,0,0]=3 4747 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 4748 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 4749 B11R0.4 C=CC[C@@H](C)OCCCCCF 34a_100000731007_100000729378 [1,1,0,0,0,0|2,0,0]=4 4750 B11R0.4 C=CC[C@@H](C)OCCCCCF 7a_100000731007_100000729378 [1,1,0,0,0,0|2,0,0]=4 4751 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [1,1,0,0,0,0|1,0,1]=4 4752 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [1,1,0,0,0,0|1,0,1]=4 4753 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [1,1,0,0,0,0|1,0,1]=4 4754 B11R0.4 C=CC[C@@H](N)COCCCCF 34a_100020615467_100000729493 [1,1,0,0,0,0|2,0,0]=4 4755 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [1,1,0,0,0,0|1,0,1]=4 4756 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [1,1,0,0,0,0|2,0,0]=4 4757 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [1,1,0,0,0,0|2,0,0]=4 4758 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|1,0,1]=4 4759 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|1,0,1]=4 4760 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|1,0,1]=4 4761 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|1,0,1]=4 4762 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|1,0,1]=4 4763 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [1,1,0,0,0,0|1,0,1]=4 4764 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [1,1,0,0,0,0|1,0,1]=4 4765 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [1,1,0,0,0,0|1,0,1]=4 4766 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [1,1,0,0,0,0|1,0,1]=4 4767 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,1,0,0,0,0|1,0,1]=4 4768 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,1,0,0,0,0|1,0,1]=4 4769 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [1,1,0,0,0,0|1,0,1]=4 4770 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [1,1,0,0,0,0|1,0,1]=4 4771 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 4772 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 4773 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [1,1,0,0,0,0|2,0,0]=4 4774 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|0,0,2]=4 4775 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|0,0,2]=4 4776 B11R0.40 C=CC(C)COCCCCC=O 7a_100011215527_100000139335 [1,1,0,0,0,0|1,0,0]=3 4777 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [1,1,0,0,0,0|1,0,1]=4 4778 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [1,1,0,0,0,0|1,0,1]=4 4779 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [1,1,0,0,0,0|2,0,0]=4 4780 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [1,1,0,0,0,0|2,0,0]=4 4781 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [1,1,0,0,0,0|1,0,1]=4 4782 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [1,1,0,0,0,0|1,0,1]=4 4783 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [1,1,0,0,0,0|1,0,1]=4 4784 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [1,1,0,0,0,0|2,0,0]=4 4785 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [1,1,0,0,0,0|1,0,1]=4 4786 B11R0.40 C=CC(C)SCCCCCC=O 62a_100011215867_100000139337 [1,1,0,0,0,0|1,0,0]=3 4787 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [1,1,0,0,0,0|1,0,1]=4 4788 B11R0.40 C=CC(C)SCCCCCCF 62a_100011215867_100015922095 [1,1,0,0,0,0|2,0,0]=4 4789 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [1,1,0,0,0,0|1,0,1]=4 4790 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [1,1,0,0,0,0|1,0,1]=4 4791 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [1,1,0,0,0,0|1,0,1]=4 4792 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [1,1,0,0,0,0|1,0,1]=4 4793 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [1,1,0,0,0,0|2,0,0]=4 4794 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [1,1,0,0,0,0|2,0,0]=4 4795 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [1,1,0,0,0,0|1,0,1]=4 4796 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [1,1,0,0,0,0|1,0,1]=4 4797 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [1,1,0,0,0,0|2,0,0]=4 4798 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [1,1,0,0,0,0|2,0,0]=4 4799 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [1,1,0,0,0,0|2,0,0]=4 4800 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [1,1,0,0,0,0|2,0,0]=4 4801 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [1,1,0,0,0,0|2,0,0]=4 4802 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000139335_100000730141 [1,1,0,0,0,0|1,0,0]=3 4803 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000730141_100000139335 [1,1,0,0,0,0|1,0,0]=3 4804 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [1,1,0,0,0,0|1,0,1]=4 4805 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [1,1,0,0,0,0|1,0,1]=4 4806 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [1,1,0,0,0,0|2,0,0]=4 4807 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [1,1,0,0,0,0|2,0,0]=4 4808 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [1,1,0,0,0,0|1,0,1]=4 4809 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [1,1,0,0,0,0|1,0,1]=4 4810 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [1,1,0,0,0,0|0,0,2]=4 4811 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,1,0,0,0,0|0,0,2]=4 4812 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,1,0,0,0,0|0,0,2]=4 4813 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [1,1,0,0,0,0|1,0,1]=4 4814 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|0,0,2]=4 4815 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [1,1,0,0,0,0|1,0,1]=4 4816 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [1,1,0,0,0,0|1,0,1]=4 4817 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [1,1,0,0,0,0|1,0,1]=4 4818 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [1,1,0,0,0,0|1,0,1]=4 4819 B11R0.40 C=CCCCCCOC(C)C=C 34a_100000695699_100000700193 [1,1,0,0,0,0|1,0,1]=4 4820 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [1,1,0,0,0,0|1,0,1]=4 4821 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [1,1,0,0,0,0|1,0,1]=4 4822 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [1,1,0,0,0,0|1,0,1]=4 4823 B11R0.40 C=CCCCCCOC(C)CF 34a_100016041109_100000700193 [1,1,0,0,0,0|2,0,0]=4 4824 B11R0.40 C=CCCCCCOC(C)CF 7a_100016041109_100000700193 [1,1,0,0,0,0|2,0,0]=4 4825 B11R0.40 C=CCCCCCOC(C)CN 34a_100000210904_100000700193 [1,1,0,0,0,0|2,0,0]=4 4826 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [1,1,0,0,0,0|1,0,1]=4 4827 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [1,1,0,0,0,0|1,0,1]=4 4828 B11R0.40 C=CCCCCCSC(C)C=C 62a_100011215867_100000700193 [1,1,0,0,0,0|1,0,1]=4 4829 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [1,1,0,0,0,0|1,0,1]=4 4830 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [1,1,0,0,0,0|1,0,1]=4 4831 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [1,1,0,0,0,0|1,0,1]=4 4832 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [1,1,0,0,0,0|1,0,1]=4 4833 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [1,1,0,0,0,0|1,0,1]=4 4834 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [1,1,0,0,0,0|1,0,1]=4 4835 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [1,1,0,0,0,0|1,0,1]=4 4836 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [1,1,0,0,0,0|1,0,1]=4 4837 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [1,1,0,0,0,0|1,0,1]=4 4838 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [1,1,0,0,0,0|1,0,1]=4 4839 B11R0.40 C=CCCCCNCC(O)C=C 2230a_100000703577_100000730141 [1,1,0,0,0,0|1,0,1]=4 4840 B11R0.40 C=CCCCCNCC(O)C=C 34a_100000703577_100000730141 [1,1,0,0,0,0|1,0,1]=4 4841 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [1,1,0,0,0,0|1,0,1]=4 4842 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [1,1,0,0,0,0|1,0,1]=4 4843 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [1,1,0,0,0,0|1,0,1]=4 4844 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [1,1,0,0,0,0|1,0,1]=4 4845 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [1,1,0,0,0,0|1,0,1]=4 4846 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [1,1,0,0,0,0|1,0,1]=4 4847 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [1,1,0,0,0,0|1,0,1]=4 4848 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [1,1,0,0,0,0|1,0,1]=4 4849 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [1,1,0,0,0,0|1,0,1]=4 4850 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [1,1,0,0,0,0|1,0,1]=4 4851 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [1,1,0,0,0,0|2,0,0]=4 4852 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [1,1,0,0,0,0|2,0,0]=4 4853 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [1,1,0,0,0,0|1,0,1]=4 4854 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [1,1,0,0,0,0|1,0,1]=4 4855 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [1,1,0,0,0,0|1,0,1]=4 4856 B11R0.40 C=CCCCCOCC(C)C=C 34a_100011215527_100011215482 [1,1,0,0,0,0|1,0,1]=4 4857 B11R0.40 C=CCCCCOCC(C)C=C 7a_100011215527_100011215482 [1,1,0,0,0,0|1,0,1]=4 4858 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [1,1,0,0,0,0|1,0,1]=4 4859 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [1,1,0,0,0,0|1,0,1]=4 4860 B11R0.40 C=CCCCCOCC(C)CN 34a_100000744482_100011215482 [1,1,0,0,0,0|2,0,0]=4 4861 B11R0.40 C=CCCCCOCC(Cl)CCl 34a_100000033668_100011215482 [1,1,0,0,0,0|2,0,0]=4 4862 B11R0.40 C=CCCCCOCC(O)C=C 34a_100000766645_100000730141 [1,1,0,0,0,0|1,0,1]=4 4863 B11R0.40 C=CCCCCOCC(O)C=C 7a_100000766645_100000730141 [1,1,0,0,0,0|1,0,1]=4 4864 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [1,1,0,0,0,0|1,0,1]=4 4865 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [1,1,0,0,0,0|1,0,1]=4 4866 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [1,1,0,0,0,0|1,0,1]=4 4867 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [1,1,0,0,0,0|1,0,1]=4 4868 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [1,1,0,0,0,0|1,0,1]=4 4869 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [1,1,0,0,0,0|1,0,1]=4 4870 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [1,1,0,0,0,0|1,0,1]=4 4871 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [1,1,0,0,0,0|1,0,1]=4 4872 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [1,1,0,0,0,0|1,0,1]=4 4873 B11R0.40 C=CCCCCOC[C@@H](N)C=C 34a_100016989147_100011215482 [1,1,0,0,0,0|1,0,1]=4 4874 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [1,1,0,0,0,0|2,0,0]=4 4875 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [1,1,0,0,0,0|2,0,0]=4 4876 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [1,1,0,0,0,0|1,0,1]=4 4877 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [1,1,0,0,0,0|1,0,1]=4 4878 B11R0.40 C=CCCCCOC[C@H](F)CN 34a_100015665980_100011215482 [1,1,0,0,0,0|2,0,0]=4 4879 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [1,1,0,0,0,0|1,0,1]=4 4880 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [1,1,0,0,0,0|1,0,1]=4 4881 B11R0.40 C=CCCCCSCC(O)C=C 62a_100000730141_100011215482 [1,1,0,0,0,0|1,0,1]=4 4882 B11R0.40 C=CCCCCSCC(O)C=C 62a_100011215482_100000730141 [1,1,0,0,0,0|1,0,1]=4 4883 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [1,1,0,0,0,0|1,0,1]=4 4884 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [1,1,0,0,0,0|1,0,1]=4 4885 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [1,1,0,0,0,0|1,0,1]=4 4886 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [1,1,0,0,0,0|1,0,1]=4 4887 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [1,1,0,0,0,0|1,0,1]=4 4888 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [1,1,0,0,0,0|1,0,1]=4 4889 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [1,1,0,0,0,0|1,0,1]=4 4890 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [1,1,0,0,0,0|1,0,1]=4 4891 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [1,1,0,0,0,0|2,0,0]=4 4892 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [1,1,0,0,0,0|2,0,0]=4 4893 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [1,1,0,0,0,0|1,0,1]=4 4894 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [1,1,0,0,0,0|1,0,1]=4 4895 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [1,1,0,0,0,0|1,0,1]=4 4896 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [1,1,0,0,0,0|1,0,1]=4 4897 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [1,1,0,0,0,0|1,0,1]=4 4898 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [1,1,0,0,0,0|1,0,1]=4 4899 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [1,1,0,0,0,0|1,0,1]=4 4900 B11R0.40 C=CCCOCCC[C@@H](C)CN 34a_100160569302_100000754431 [1,1,0,0,0,0|2,0,0]=4 4901 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [1,1,0,0,0,0|1,0,1]=4 4902 B11R0.40 C=C[C@H](N)COCCCCCF 34a_100016989147_100000729378 [1,1,0,0,0,0|2,0,0]=4 4903 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [1,1,0,0,0,0|1,0,1]=4 4904 B11R0.40 CC(CF)OCCCCCC=O 7a_100016041109_100000139337 [1,1,0,0,0,0|2,0,0]=4 4905 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [1,1,0,0,0,0|2,0,0]=4 4906 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [1,1,0,0,0,0|2,0,0]=4 4907 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [1,1,0,0,0,0|1,0,1]=4 4908 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [1,1,0,0,0,0|1,0,1]=4 4909 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [1,1,0,0,0,0|1,0,1]=4 4910 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [1,1,0,0,0,0|1,0,1]=4 4911 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [1,1,0,0,0,0|1,0,1]=4 4912 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [1,1,0,0,0,0|1,0,1]=4 4913 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [1,1,0,0,0,0|1,0,1]=4 4914 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [1,1,0,0,0,0|1,0,1]=4 4915 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [1,1,0,0,0,0|1,0,1]=4 4916 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [1,1,0,0,0,0|1,0,1]=4 4917 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [1,1,0,0,0,0|1,0,1]=4 4918 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [1,1,0,0,0,0|1,0,1]=4 4919 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [1,1,0,0,0,0|1,0,1]=4 4920 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [1,1,0,0,0,0|1,0,1]=4 4921 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [1,1,0,0,0,0|1,0,1]=4 4922 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [1,1,0,0,0,0|2,0,0]=4 4923 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [1,1,0,0,0,0|2,0,0]=4 4924 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [1,1,0,0,0,0|2,0,0]=4 4925 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [1,1,0,0,0,0|2,0,0]=4 4926 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [1,1,0,0,0,0|2,0,0]=4 4927 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [1,1,0,0,0,0|2,0,0]=4 4928 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [1,1,0,0,0,0|2,0,0]=4 4929 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [1,1,0,0,0,0|2,0,0]=4 4930 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [1,1,0,0,0,0|2,0,0]=4 4931 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [1,1,0,0,0,0|2,0,0]=4 4932 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [1,1,0,0,0,0|2,0,0]=4 4933 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [1,1,0,0,0,0|2,0,0]=4 4934 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|0,0,2]=4 4935 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|0,0,2]=4 4936 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [1,1,0,0,0,0|1,0,1]=4 4937 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [1,1,0,0,0,0|0,0,2]=4 4938 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [1,1,0,0,0,0|0,0,2]=4 4939 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [1,1,0,0,0,0|1,0,1]=4 4940 B11R0.81 C=CCCC(C)NCCCCO 270004a_100000750430_100000762624 [1,1,0,0,0,0|1,0,1]=4 4941 B11R0.81 C=CCCC(C)OCCCC=O 7a_100000765329_200011292268 [1,1,0,0,0,0|1,0,0]=3 4942 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [1,1,0,0,0,0|1,0,1]=4 4943 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [1,1,0,0,0,0|1,0,1]=4 4944 B11R0.81 C=CCCC(C)OCCCCF 34a_100000765329_100000729493 [1,1,0,0,0,0|2,0,0]=4 4945 B11R0.81 C=CCCC(C)OCCCCF 7a_100000765329_100000729493 [1,1,0,0,0,0|2,0,0]=4 4946 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [1,1,0,0,0,0|1,0,1]=4 4947 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [1,1,0,0,0,0|1,0,1]=4 4948 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100000749702_100011215482 [1,1,0,0,0,0|0,0,2]=4 4949 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100011215552_100000754431 [1,1,0,0,0,0|0,0,2]=4 4950 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [1,1,0,0,0,0|0,0,2]=4 4951 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [1,1,0,0,0,0|0,0,2]=4 4952 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [1,1,0,0,0,0|1,0,1]=4 4953 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [1,1,0,0,0,0|0,0,2]=4 4954 B11R0.81 C=CCCCCN(C)CCC=C 2230a_100012000471_100000754431 [1,1,0,0,0,0|1,0,1]=4 4955 B11R0.81 C=CCCCCN(C)CCC=C 2230a_100020639649_100011215482 [1,1,0,0,0,0|1,0,1]=4 4956 B11R0.81 C=CCCCCN(C)CCC=C 269982a_100012000471_100000754431 [1,1,0,0,0,0|1,0,1]=4 4957 B11R0.81 C=CCCCCN(C)CCC=C 269982a_100020639649_100011215482 [1,1,0,0,0,0|1,0,1]=4 4958 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [1,1,0,0,0,0|1,0,1]=4 4959 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [1,1,0,0,0,0|1,0,1]=4 4960 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [1,1,0,0,0,0|1,0,1]=4 4961 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [1,1,0,0,0,0|1,0,1]=4 4962 B11R0.81 C=CCCCCN(C)CCCF 2230a_100012000471_100011934791 [1,1,0,0,0,0|2,0,0]=4 4963 B11R0.81 C=CCCCCN(C)CCCF 269982a_100012000471_100011934791 [1,1,0,0,0,0|2,0,0]=4 4964 B11R0.81 C=CCCCCN(C)CCCO 2230a_100000213112_100011215482 [1,1,0,0,0,0|1,0,1]=4 4965 B11R0.81 C=CCCCCN(C)CCCO 2230a_100012000471_100000230001 [1,1,0,0,0,0|1,0,1]=4 4966 B11R0.81 C=CCCCCN(C)CCCO 269982a_100000213112_100011215482 [1,1,0,0,0,0|1,0,1]=4 4967 B11R0.81 C=CCCCCN(C)CCCO 269982a_100012000471_100011215043 [1,1,0,0,0,0|1,0,1]=4 4968 B11R0.81 C=CCCCNC(C)CCC=C 270004a_100000700776_100000762624 [1,1,0,0,0,0|1,0,1]=4 4969 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [1,1,0,0,0,0|1,0,1]=4 4970 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [1,1,0,0,0,0|1,0,1]=4 4971 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [1,1,0,0,0,0|1,0,1]=4 4972 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [1,1,0,0,0,0|1,0,1]=4 4973 B11R0.81 C=CCCCOC(C)CCC=C 34a_100000765329_100000757094 [1,1,0,0,0,0|1,0,1]=4 4974 B11R0.81 C=CCCCOC(C)CCC=C 7a_100000765329_100000757094 [1,1,0,0,0,0|1,0,1]=4 4975 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [1,1,0,0,0,0|1,0,1]=4 4976 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [1,1,0,0,0,0|1,0,1]=4 4977 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [1,1,0,0,0,0|1,0,1]=4 4978 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [1,1,0,0,0,0|1,0,1]=4 4979 B11R0.81 C=CCCCOC(C)CCCCl 34a_200000718107_100000757094 [1,1,0,0,0,0|2,0,0]=4 4980 B11R0.81 C=CCCCOC(C)CCCCl 7a_200000718107_100000757094 [1,1,0,0,0,0|2,0,0]=4 4981 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [1,1,0,0,0,0|1,0,1]=4 4982 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [1,1,0,0,0,0|1,0,1]=4 4983 B11R0.81 C=CCCN(C)CCCCC=O 2230a_100020639649_100000139335 [1,1,0,0,0,0|1,0,0]=3 4984 B11R0.81 C=CCCN(C)CCCCC=O 269982a_100020639649_100000139335 [1,1,0,0,0,0|1,0,0]=3 4985 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [1,1,0,0,0,0|1,0,1]=4 4986 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [1,1,0,0,0,0|1,0,1]=4 4987 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [1,1,0,0,0,0|1,0,1]=4 4988 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [1,1,0,0,0,0|1,0,1]=4 4989 B11R0.81 C=CCCN(C)CCCCCF 2230a_100020639649_100000729378 [1,1,0,0,0,0|2,0,0]=4 4990 B11R0.81 C=CCCN(C)CCCCCF 269982a_100020639649_100000729378 [1,1,0,0,0,0|2,0,0]=4 4991 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [1,1,0,0,0,0|1,0,1]=4 4992 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [1,1,0,0,0,0|1,0,1]=4 4993 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [1,1,0,0,0,0|1,0,1]=4 4994 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [1,1,0,0,0,0|1,0,1]=4 4995 B11R0.81 C=CCCNC[C@H](C)CCCO 2230a_100160569302_100000754431 [1,1,0,0,0,0|1,0,1]=4 4996 B11R0.81 C=CCCNC[C@H](C)CCCO 34a_100160569302_100000754431 [1,1,0,0,0,0|1,0,1]=4 4997 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [1,1,0,0,0,0|1,0,1]=4 4998 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [1,1,0,0,0,0|1,0,1]=4 4999 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [1,1,0,0,0,0|1,0,1]=4 5000 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [1,1,0,0,0,0|1,0,1]=4 5001 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [1,1,0,0,0,0|1,0,1]=4 5002 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [1,1,0,0,0,0|1,0,1]=4 5003 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [1,1,0,0,0,0|1,0,1]=4 5004 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [1,1,0,0,0,0|1,0,1]=4 5005 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [1,1,0,0,0,0|1,0,1]=4 5006 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [1,1,0,0,0,0|1,0,1]=4 5007 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [1,1,0,0,0,0|1,0,1]=4 5008 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [1,1,0,0,0,0|1,0,1]=4 5009 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [1,1,0,0,0,0|2,0,0]=4 5010 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [1,1,0,0,0,0|1,0,1]=4 5011 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [1,1,0,0,0,0|1,0,1]=4 5012 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [1,1,0,0,0,0|1,0,1]=4 5013 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [1,1,0,0,0,0|1,0,1]=4 5014 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,1,0,0,0,0|1,0,1]=4 5015 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,1,0,0,0,0|1,0,1]=4 5016 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,1,0,0,0,0|1,0,1]=4 5017 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,1,0,0,0,0|1,0,1]=4 5018 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,1,0,0,0,0|1,0,1]=4 5019 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,1,0,0,0,0|1,0,1]=4 5020 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [1,1,0,0,0,0|1,0,1]=4 5021 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [1,1,0,0,0,0|1,0,1]=4 5022 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 5023 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 5024 B11R0.140 C=CCCCC(=O)CCCC=C 1458a_100000766728_100000757094 [1,1,0,0,0,0|0,0,2]=4 5025 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,1,0,0,0,0|0,0,2]=4 5026 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,1,0,0,0,0|0,0,2]=4 5027 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [1,1,0,0,0,0|1,0,1]=4 5028 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [1,1,0,0,0,0|0,0,2]=4 5029 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [1,1,0,0,0,0|0,0,2]=4 5030 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [1,1,0,0,0,0|1,0,1]=4 5031 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [1,1,0,0,0,0|1,0,1]=4 5032 B11R0.140 C=CCCCN(C)CCCCO 2230a_100000717598_100011713584 [1,1,0,0,0,0|1,0,1]=4 5033 B11R0.140 C=CCCCN(C)CCCCO 269982a_100000717598_100000757094 [1,1,0,0,0,0|1,0,1]=4 5034 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [1,1,0,0,0,0|1,0,1]=4 5035 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [1,1,0,0,0,0|1,0,1]=4 5036 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [1,1,0,0,0,0|1,0,1]=4 5037 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [1,1,0,0,0,0|1,0,1]=4 5038 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [1,1,0,0,0,0|1,0,1]=4 5039 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [1,1,0,0,0,0|1,0,1]=4 5040 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [1,1,0,0,0,0|1,0,1]=4 5041 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [1,1,0,0,0,0|1,0,1]=4 5042 B11R0.140 C=CCOC[C@@H](N)CCCCN 34a_100016993712_100015514636 [1,1,0,0,0,0|2,0,0]=4 5043 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,1,0,0,0,0|1,0,1]=4 5044 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,1,0,0,0,0|1,0,1]=4 5045 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 5046 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 5047 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [1,1,0,0,0,0|2,0,0]=4 5048 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [1,1,0,0,0,0|0,0,2]=4 5049 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [1,1,0,0,0,0|0,0,2]=4 5050 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [1,1,0,0,0,0|0,0,2]=4 5051 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [1,1,0,0,0,0|1,0,1]=4 5052 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [1,1,0,0,0,0|2,0,0]=4 5053 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [1,1,0,0,0,0|1,0,1]=4 5054 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,1,0,0,0,0|1,0,1]=4 5055 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [1,1,0,0,0,0|1,0,1]=4 5056 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [1,1,0,0,0,0|1,0,1]=4 5057 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [1,1,0,0,0,0|2,0,0]=4 5058 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [1,1,0,0,0,0|2,0,0]=4 5059 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 5060 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|1,0,1]=4 5061 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 5062 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [1,1,0,0,0,0|2,0,0]=4 5063 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [1,1,0,0,0,0|2,0,0]=4 5064 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [1,1,0,0,0,0|2,0,0]=4 5065 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [1,1,0,0,0,0|2,0,0]=4 5066 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [1,1,0,0,0,0|2,0,0]=4 5067 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [1,1,0,0,0,0|2,0,0]=4 5068 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [1,1,0,0,0,0|1,0,1]=4 5069 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [1,1,0,0,0,0|1,0,0]=3 5070 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [1,1,0,0,0,0|1,0,0]=3 5071 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,1,0,0,0,0|1,0,1]=4 5072 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,1,0,0,0,0|1,0,1]=4 5073 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [1,1,0,0,0,0|2,0,0]=4 5074 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [1,1,0,0,0,0|2,0,0]=4 5075 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [1,1,0,0,0,0|1,0,1]=4 5076 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [1,1,0,0,0,0|1,0,1]=4 5077 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,1,0,0,0,0|1,0,1]=4 5078 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [1,1,0,0,0,0|1,0,1]=4 5079 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [1,1,0,0,0,0|1,0,1]=4 5080 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [1,1,0,0,0,0|2,0,0]=4 5081 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [1,1,0,0,0,0|2,0,0]=4 5082 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,1,0,0,0,0|1,0,1]=4 5083 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 5084 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 5085 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [1,1,0,0,0,0|2,0,0]=4 5086 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [1,1,0,0,0,0|2,0,0]=4 5087 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [1,1,0,0,0,0|2,0,0]=4 5088 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [1,1,0,0,0,0|2,0,0]=4 5089 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [1,1,0,0,0,0|2,0,0]=4 5090 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [1,1,0,0,0,0|2,0,0]=4 5091 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [1,1,0,0,0,0|1,0,1]=4 5092 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [1,1,0,0,0,0|1,0,0]=3 5093 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [1,1,0,0,0,0|1,0,0]=3 5094 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,1,0,0,0,0|1,0,1]=4 5095 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,1,0,0,0,0|1,0,1]=4 5096 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [1,1,0,0,0,0|2,0,0]=4 5097 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [1,1,0,0,0,0|2,0,0]=4 5098 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [1,1,0,0,0,0|1,0,1]=4 5099 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [1,1,0,0,0,0|1,0,1]=4 5100 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [1,1,0,0,0,0|1,0,1]=4 5101 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [1,1,0,0,0,0|1,0,1]=4 5102 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [1,1,0,0,0,0|1,0,1]=4 5103 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [1,1,0,0,0,0|2,0,0]=4 5104 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [1,1,0,0,0,0|2,0,0]=4 5105 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [1,1,0,0,0,0|1,0,1]=4 5106 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [1,1,0,0,0,0|1,0,1]=4 5107 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [1,1,0,0,0,0|1,0,1]=4 5108 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [1,1,0,0,0,0|2,0,0]=4 5109 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [1,1,0,0,0,0|2,0,0]=4 5110 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [1,1,0,0,0,0|2,0,0]=4 5111 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [1,1,0,0,0,0|2,0,0]=4 5112 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [1,1,0,0,0,0|2,0,0]=4 5113 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [1,1,0,0,0,0|2,0,0]=4 5114 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [1,1,0,0,0,0|1,0,1]=4 5115 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000042424_100000139337 [1,1,0,0,0,0|1,0,0]=3 5116 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000139337_100000042424 [1,1,0,0,0,0|1,0,0]=3 5117 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [1,1,0,0,0,0|1,0,1]=4 5118 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [1,1,0,0,0,0|1,0,1]=4 5119 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [1,1,0,0,0,0|2,0,0]=4 5120 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [1,1,0,0,0,0|2,0,0]=4 5121 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [1,1,0,0,0,0|1,0,1]=4 5122 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [1,1,0,0,0,0|1,0,1]=4 5123 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,1,0,0,0,0|0,0,0]=2 5124 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,1,0,0,0,0|0,0,0]=2 5125 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,1,0,0,0,0|0,0,0]=2 5126 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [1,1,0,0,0,0|1,0,1]=4 5127 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [1,1,0,0,0,0|1,0,1]=4 5128 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [1,1,0,0,0,0|1,0,1]=4 5129 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [1,1,0,0,0,0|1,0,1]=4 5130 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [1,1,0,0,0,0|1,0,1]=4 5131 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [1,1,0,0,0,0|1,0,1]=4 5132 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [1,1,0,0,0,0|1,0,1]=4 5133 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [1,1,0,0,0,0|1,0,1]=4 5134 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [1,1,0,0,0,0|1,0,1]=4 5135 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [1,1,0,0,0,0|1,0,0]=3 5136 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [1,1,0,0,0,0|1,0,0]=3 5137 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [1,1,0,0,0,0|1,0,1]=4 5138 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [1,1,0,0,0,0|1,0,1]=4 5139 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [1,1,0,0,0,0|1,0,1]=4 5140 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [1,1,0,0,0,0|1,0,1]=4 5141 B11R0.148 C=CCCCCCNCC(F)F 34a_100000765723_100000700193 [1,1,0,0,0,0|2,0,0]=4 5142 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [1,1,0,0,0,0|1,0,1]=4 5143 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [1,1,0,0,0,0|1,0,1]=4 5144 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [1,1,0,0,0,0|1,0,1]=4 5145 B11R0.148 C=CCCCCCOCC(=C)F 34a_100011216702_100009893438 [1,1,0,0,0,0|1,0,1]=4 5146 B11R0.148 C=CCCCCCOCC(=C)F 34a_200010262243_100000700193 [1,1,0,0,0,0|1,0,1]=4 5147 B11R0.148 C=CCCCCCOCC(=C)F 7a_100011216702_100000042424 [1,1,0,0,0,0|1,0,1]=4 5148 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [1,1,0,0,0,0|1,0,0]=3 5149 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [1,1,0,0,0,0|1,0,0]=3 5150 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [1,1,0,0,0,0|1,0,0]=3 5151 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [1,1,0,0,0,0|1,0,0]=3 5152 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [1,1,0,0,0,0|1,0,1]=4 5153 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [1,1,0,0,0,0|1,0,1]=4 5154 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [1,1,0,0,0,0|1,0,1]=4 5155 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [1,1,0,0,0,0|1,0,1]=4 5156 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [1,1,0,0,0,0|1,0,1]=4 5157 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [1,1,0,0,0,0|1,0,1]=4 5158 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [1,1,0,0,0,0|1,0,1]=4 5159 B11R0.148 C=CCCCCCOCC(F)F 34a_100000743014_100000700193 [1,1,0,0,0,0|2,0,0]=4 5160 B11R0.148 C=CCCCCCOCC(F)F 34a_100011216702_100011934356 [1,1,0,0,0,0|2,0,0]=4 5161 B11R0.148 C=CCCCCCOCC(F)F 7a_100011216702_100011934356 [1,1,0,0,0,0|2,0,0]=4 5162 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [1,1,0,0,0,0|1,0,1]=4 5163 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [1,1,0,0,0,0|1,0,1]=4 5164 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [1,1,0,0,0,0|1,0,1]=4 5165 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [1,1,0,0,0,0|1,0,1]=4 5166 B11R0.148 C=CCCCCCOC[N+](=O)[O-] 34a_100011216702_100000761209 [1,1,0,0,0,0|2,0,0]=4 5167 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [1,1,0,0,0,0|1,0,1]=4 5168 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [1,1,0,0,0,0|1,0,1]=4 5169 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000042424_100000700193 [1,1,0,0,0,0|1,0,1]=4 5170 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000700193_100000042424 [1,1,0,0,0,0|1,0,1]=4 5171 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [1,1,0,0,0,0|1,0,0]=3 5172 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [1,1,0,0,0,0|1,0,0]=3 5173 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [1,1,0,0,0,0|1,0,0]=3 5174 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [1,1,0,0,0,0|1,0,0]=3 5175 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [1,1,0,0,0,0|1,0,1]=4 5176 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [1,1,0,0,0,0|1,0,1]=4 5177 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [1,1,0,0,0,0|1,0,1]=4 5178 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [1,1,0,0,0,0|1,0,1]=4 5179 B11R0.148 C=CCCCCCSCC(F)F 62a_100000700193_100011934356 [1,1,0,0,0,0|2,0,0]=4 5180 B11R0.148 C=CCCCCCSCC(F)F 62a_100011934356_100000700193 [1,1,0,0,0,0|2,0,0]=4 5181 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [1,1,0,0,0,0|1,0,1]=4 5182 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [1,1,0,0,0,0|1,0,1]=4 5183 B11R0.148 C=CCCCCCSC[N+](=O)[O-] 62a_100000700193_100000761209 [1,1,0,0,0,0|2,0,0]=4 5184 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [1,1,0,0,0,0|1,0,1]=4 5185 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [1,1,0,0,0,0|1,0,1]=4 5186 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [1,1,0,0,0,0|1,0,0]=3 5187 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [1,1,0,0,0,0|1,0,0]=3 5188 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [1,1,0,0,0,0|1,0,1]=4 5189 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [1,1,0,0,0,0|1,0,1]=4 5190 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [1,1,0,0,0,0|1,0,1]=4 5191 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [1,1,0,0,0,0|1,0,1]=4 5192 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [1,1,0,0,0,0|1,0,1]=4 5193 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [1,1,0,0,0,0|1,0,1]=4 5194 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [1,1,0,0,0,0|2,0,0]=4 5195 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [1,1,0,0,0,0|2,0,0]=4 5196 B11R0.148 C=CCCCCOCCC(=C)Br 34a_100009813270_100011215482 [1,1,0,0,0,0|1,0,1]=4 5197 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [1,1,0,0,0,0|1,0,1]=4 5198 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [1,1,0,0,0,0|1,0,1]=4 5199 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [1,1,0,0,0,0|1,0,1]=4 5200 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [1,1,0,0,0,0|1,0,0]=3 5201 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [1,1,0,0,0,0|1,0,0]=3 5202 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [1,1,0,0,0,0|1,0,0]=3 5203 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [1,1,0,0,0,0|1,0,0]=3 5204 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [1,1,0,0,0,0|1,0,0]=3 5205 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [1,1,0,0,0,0|1,0,0]=3 5206 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [1,1,0,0,0,0|1,0,0]=3 5207 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [1,1,0,0,0,0|1,0,1]=4 5208 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [1,1,0,0,0,0|1,0,1]=4 5209 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [1,1,0,0,0,0|1,0,1]=4 5210 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [1,1,0,0,0,0|1,0,1]=4 5211 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [1,1,0,0,0,0|1,0,1]=4 5212 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [1,1,0,0,0,0|1,0,1]=4 5213 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [1,1,0,0,0,0|1,0,1]=4 5214 B11R0.148 C=CCCCCOCCC(F)F 34a_100103093639_100011215482 [1,1,0,0,0,0|2,0,0]=4 5215 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [1,1,0,0,0,0|1,0,1]=4 5216 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [1,1,0,0,0,0|2,0,0]=4 5217 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [1,1,0,0,0,0|1,0,1]=4 5218 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [1,1,0,0,0,0|1,0,1]=4 5219 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [1,1,0,0,0,0|1,0,0]=3 5220 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [1,1,0,0,0,0|1,0,0]=3 5221 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [1,1,0,0,0,0|1,0,0]=3 5222 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [1,1,0,0,0,0|1,0,0]=3 5223 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [1,1,0,0,0,0|1,0,1]=4 5224 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [1,1,0,0,0,0|1,0,1]=4 5225 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [1,1,0,0,0,0|1,0,1]=4 5226 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [1,1,0,0,0,0|1,0,1]=4 5227 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [1,1,0,0,0,0|2,0,0]=4 5228 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [1,1,0,0,0,0|2,0,0]=4 5229 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [1,1,0,0,0,0|1,0,0]=3 5230 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [1,1,0,0,0,0|1,0,0]=3 5231 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [1,1,0,0,0,0|1,0,0]=3 5232 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [1,1,0,0,0,0|1,0,1]=4 5233 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [1,1,0,0,0,0|1,0,1]=4 5234 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [1,1,0,0,0,0|1,0,1]=4 5235 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [1,1,0,0,0,0|1,0,1]=4 5236 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [1,1,0,0,0,0|1,0,1]=4 5237 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [1,1,0,0,0,0|1,0,1]=4 5238 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [1,1,0,0,0,0|2,0,0]=4 5239 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [1,1,0,0,0,0|2,0,0]=4 5240 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [1,1,0,0,0,0|2,0,0]=4 5241 B11R0.148 C=CCCCNCCNC(=O)N 2230a_100000700776_200000034859 [1,1,0,0,0,0|2,0,0]=4 5242 B11R0.148 C=CCCCNCCNC(=O)N 34a_100020590234_100000757094 [1,1,0,0,0,0|2,0,0]=4 5243 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [1,1,0,0,0,0|2,0,0]=4 5244 B11R0.148 C=CCCCNCCOC(=O)N 34a_100000700776_200011214921 [1,1,0,0,0,0|2,0,0]=4 5245 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [1,1,0,0,0,0|1,0,0]=3 5246 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [1,1,0,0,0,0|1,0,0]=3 5247 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [1,1,0,0,0,0|1,0,0]=3 5248 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [1,1,0,0,0,0|1,0,0]=3 5249 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [1,1,0,0,0,0|1,0,0]=3 5250 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [1,1,0,0,0,0|1,0,0]=3 5251 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [1,1,0,0,0,0|1,0,1]=4 5252 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [1,1,0,0,0,0|1,0,1]=4 5253 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [1,1,0,0,0,0|1,0,1]=4 5254 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [1,1,0,0,0,0|1,0,1]=4 5255 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [1,1,0,0,0,0|1,0,1]=4 5256 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [1,1,0,0,0,0|1,0,1]=4 5257 B11R0.148 C=CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000757094 [1,1,0,0,0,0|2,0,0]=4 5258 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [1,1,0,0,0,0|2,0,0]=4 5259 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [1,1,0,0,0,0|2,0,0]=4 5260 B11R0.148 C=CCCCOCCNC(=O)N 34a_100000181757_100000757094 [1,1,0,0,0,0|2,0,0]=4 5261 B11R0.148 C=CCCCOCCNC(=O)N 7a_100000758997_200000034859 [1,1,0,0,0,0|2,0,0]=4 5262 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [1,1,0,0,0,0|2,0,0]=4 5263 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [1,1,0,0,0,0|2,0,0]=4 5264 B11R0.148 C=CCCCOCCOC(=O)N 34a_100000758997_200011214921 [1,1,0,0,0,0|2,0,0]=4 5265 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000758997_200011214921 [1,1,0,0,0,0|2,0,0]=4 5266 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000766696_100000757094 [1,1,0,0,0,0|2,0,0]=4 5267 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [1,1,0,0,0,0|1,0,0]=3 5268 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [1,1,0,0,0,0|1,0,0]=3 5269 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [1,1,0,0,0,0|1,0,0]=3 5270 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [1,1,0,0,0,0|1,0,0]=3 5271 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [1,1,0,0,0,0|1,0,1]=4 5272 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [1,1,0,0,0,0|1,0,1]=4 5273 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [1,1,0,0,0,0|1,0,1]=4 5274 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [1,1,0,0,0,0|1,0,1]=4 5275 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [1,1,0,0,0,0|2,0,0]=4 5276 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [1,1,0,0,0,0|2,0,0]=4 5277 B11R0.148 C=CCCCSCCNC(=O)N 62a_100011713584_200000034859 [1,1,0,0,0,0|2,0,0]=4 5278 B11R0.148 C=CCCCSCCNC(=O)N 62a_200000034859_100000757094 [1,1,0,0,0,0|2,0,0]=4 5279 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [1,1,0,0,0,0|2,0,0]=4 5280 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [1,1,0,0,0,0|2,0,0]=4 5281 B11R0.148 C=CCCCSCCOC(=O)N 62a_100011713584_200011214921 [1,1,0,0,0,0|2,0,0]=4 5282 B11R0.148 C=CCCCSCCOC(=O)N 62a_200011214921_100000757094 [1,1,0,0,0,0|2,0,0]=4 5283 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [1,1,0,0,0,0|1,0,0]=3 5284 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [1,1,0,0,0,0|1,0,1]=4 5285 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [1,1,0,0,0,0|2,0,0]=4 5286 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [1,1,0,0,0,0|2,0,0]=4 5287 B11R0.148 C=CCCNCCOCC(=O)N 2230a_100015191253_100000076697 [1,1,0,0,0,0|2,0,0]=4 5288 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [1,1,0,0,0,0|2,0,0]=4 5289 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [1,1,0,0,0,0|1,0,0]=3 5290 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [1,1,0,0,0,0|1,0,0]=3 5291 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [1,1,0,0,0,0|1,0,0]=3 5292 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [1,1,0,0,0,0|1,0,1]=4 5293 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [1,1,0,0,0,0|1,0,1]=4 5294 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [1,1,0,0,0,0|1,0,1]=4 5295 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000754431 [1,1,0,0,0,0|2,0,0]=4 5296 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000754431 [1,1,0,0,0,0|2,0,0]=4 5297 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [1,1,0,0,0,0|2,0,0]=4 5298 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [1,1,0,0,0,0|2,0,0]=4 5299 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [1,1,0,0,0,0|2,0,0]=4 5300 B11R0.148 C=CCCOCCOCC(=O)N 34a_100011205117_100000076697 [1,1,0,0,0,0|2,0,0]=4 5301 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [1,1,0,0,0,0|1,0,0]=3 5302 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [1,1,0,0,0,0|1,0,0]=3 5303 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [1,1,0,0,0,0|1,0,1]=4 5304 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [1,1,0,0,0,0|1,0,1]=4 5305 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [1,1,0,0,0,0|2,0,0]=4 5306 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [1,1,0,0,0,0|2,0,0]=4 5307 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [1,1,0,0,0,0|2,0,0]=4 5308 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [1,1,0,0,0,0|2,0,0]=4 5309 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000076697_100000754431 [1,1,0,0,0,0|2,0,0]=4 5310 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000754431_100000076697 [1,1,0,0,0,0|2,0,0]=4 5311 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [1,1,0,0,0,0|1,0,0]=3 5312 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [1,1,0,0,0,0|1,0,1]=4 5313 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [1,1,0,0,0,0|1,0,1]=4 5314 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [1,1,0,0,0,0|1,0,1]=4 5315 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [1,1,0,0,0,0|2,0,0]=4 5316 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [1,1,0,0,0,0|2,0,0]=4 5317 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [1,1,0,0,0,0|2,0,0]=4 5318 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [1,1,0,0,0,0|1,0,0]=3 5319 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [1,1,0,0,0,0|1,0,0]=3 5320 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [1,1,0,0,0,0|1,0,0]=3 5321 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [1,1,0,0,0,0|1,0,0]=3 5322 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [1,1,0,0,0,0|1,0,1]=4 5323 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [1,1,0,0,0,0|1,0,1]=4 5324 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [1,1,0,0,0,0|1,0,1]=4 5325 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [1,1,0,0,0,0|2,0,0]=4 5326 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [1,1,0,0,0,0|2,0,0]=4 5327 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [1,1,0,0,0,0|2,0,0]=4 5328 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [1,1,0,0,0,0|2,0,0]=4 5329 B11R0.148 C=CCOCCOCCC(=O)C 7a_100000037705_100000053229 [1,1,0,0,0,0|2,0,0]=4 5330 B11R0.148 C=CCOCCOCCC(=O)N 34a_100000037705_100000731001 [1,1,0,0,0,0|2,0,0]=4 5331 B11R0.148 C=CCOCCOCCC(=O)N 7a_100000037705_100000744528 [1,1,0,0,0,0|2,0,0]=4 5332 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [1,1,0,0,0,0|1,0,0]=3 5333 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [1,1,0,0,0,0|1,0,0]=3 5334 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [1,1,0,0,0,0|1,0,1]=4 5335 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [1,1,0,0,0,0|1,0,1]=4 5336 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [1,1,0,0,0,0|2,0,0]=4 5337 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [1,1,0,0,0,0|2,0,0]=4 5338 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [1,1,0,0,0,0|2,0,0]=4 5339 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [1,1,0,0,0,0|2,0,0]=4 5340 B11R0.148 C=COCCCCOCC(=O)N 34a_100000031558_100000187820 [1,1,0,0,0,0|2,0,0]=4 5341 B11R0.148 C=COCCCCOCC(=O)N 7a_100000031558_100000187820 [1,1,0,0,0,0|2,0,0]=4 5342 B11R0.148 C=COCCCCOCC(=O)[O-] 34a_100000031558_100020667443 [1,1,0,0,0,0|2,0,0]=4 5343 B11R0.148 C=COCCCNCCC(=O)N 2230a_100000210767_100000744528 [1,1,0,0,0,0|2,0,0]=4 5344 B11R0.148 C=COCCCNCCC(=O)N 34a_100000210767_100000731001 [1,1,0,0,0,0|2,0,0]=4 5345 B11R0.148 C=COCCNCCCC(=O)N 34a_100000739312_100000039644 [1,1,0,0,0,0|2,0,0]=4 5346 B11R0.148 C=COCCOCCCC(=O)C 34a_100000033082_100000685027 [1,1,0,0,0,0|2,0,0]=4 5347 B11R0.148 C=COCCOCCCC(=O)C 34a_100000759063_100000039644 [1,1,0,0,0,0|2,0,0]=4 5348 B11R0.148 C=COCCOCCCC(=O)C 7a_100000759063_100000039644 [1,1,0,0,0,0|2,0,0]=4 5349 B11R0.148 C=COCCOCCCC(=O)N 34a_100000033082_100102525003 [1,1,0,0,0,0|2,0,0]=4 5350 B11R0.148 C=COCCSCCCC(=O)C 62a_100000039644_100011215641 [1,1,0,0,0,0|2,0,0]=4 5351 B11R0.148 C=COCCSCCCC(=O)C 62a_100011215641_100000039644 [1,1,0,0,0,0|2,0,0]=4 5352 B11R0.148 C=COCCSCCCC(=O)N 62a_100000039644_100102525003 [1,1,0,0,0,0|2,0,0]=4 5353 B11R0.148 C=COCCSCCCC(=O)N 62a_100102525003_100000039644 [1,1,0,0,0,0|2,0,0]=4 5354 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|1,0,0]=3 5355 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [1,1,0,0,0,0|2,0,0]=4 5356 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [1,1,0,0,0,0|2,0,0]=4 5357 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [1,1,0,0,0,0|2,0,0]=4 5358 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [1,1,0,0,0,0|2,0,0]=4 5359 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [1,1,0,0,0,0|2,0,0]=4 5360 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [1,1,0,0,0,0|2,0,0]=4 5361 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [1,1,0,0,0,0|2,0,0]=4 5362 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,1,0,0,0,0|2,0,0]=4 5363 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,1,0,0,0,0|2,0,0]=4 5364 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,1,0,0,0,0|2,0,0]=4 5365 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [1,1,0,0,0,0|1,0,1]=4 5366 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,1,0,0,0,0|2,0,0]=4 5367 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,1,0,0,0,0|2,0,0]=4 5368 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,1,0,0,0,0|2,0,0]=4 5369 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,1,0,0,0,0|2,0,0]=4 5370 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,1,0,0,0,0|2,0,0]=4 5371 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,1,0,0,0,0|2,0,0]=4 5372 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,1,0,0,0,0|2,0,0]=4 5373 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,1,0,0,0,0|2,0,0]=4 5374 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,1,0,0,0,0|2,0,0]=4 5375 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,1,0,0,0,0|2,0,0]=4 5376 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,1,0,0,0,0|2,0,0]=4 5377 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [1,1,0,0,0,0|1,0,1]=4 5378 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [1,1,0,0,0,0|1,0,1]=4 5379 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,1,0,0,0,0|2,0,0]=4 5380 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,1,0,0,0,0|2,0,0]=4 5381 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,1,0,0,0,0|2,0,0]=4 5382 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,1,0,0,0,0|2,0,0]=4 5383 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [1,1,0,0,0,0|1,0,1]=4 5384 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [1,1,0,0,0,0|2,0,0]=4 5385 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [1,1,0,0,0,0|2,0,0]=4 5386 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 5387 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 5388 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [1,1,0,0,0,0|2,0,0]=4 5389 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 5390 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 5391 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [1,1,0,0,0,0|1,0,1]=4 5392 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [1,1,0,0,0,0|1,0,1]=4 5393 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [1,1,0,0,0,0|2,0,0]=4 5394 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [1,1,0,0,0,0|2,0,0]=4 5395 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,1,0,0,0,0|2,0,0]=4 5396 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,1,0,0,0,0|2,0,0]=4 5397 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [1,1,0,0,0,0|2,0,0]=4 5398 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,1,0,0,0,0|2,0,0]=4 5399 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|2,0,0]=4 5400 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [1,1,0,0,0,0|1,0,1]=4 5401 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [1,1,0,0,0,0|1,0,1]=4 5402 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [1,1,0,0,0,0|1,0,1]=4 5403 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [1,1,0,0,0,0|1,0,1]=4 5404 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [1,1,0,0,0,0|1,0,1]=4 5405 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [1,1,0,0,0,0|1,0,1]=4 5406 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [1,1,0,0,0,0|1,0,1]=4 5407 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [1,1,0,0,0,0|1,0,1]=4 5408 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [1,1,0,0,0,0|1,0,1]=4 5409 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [1,1,0,0,0,0|1,0,1]=4 5410 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [1,1,0,0,0,0|1,0,1]=4 5411 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [1,1,0,0,0,0|1,0,1]=4 5412 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [1,1,0,0,0,0|1,0,1]=4 5413 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [1,1,0,0,0,0|1,0,1]=4 5414 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [1,1,0,0,0,0|1,0,1]=4 5415 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [1,1,0,0,0,0|1,0,1]=4 5416 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [1,1,0,0,0,0|1,0,1]=4 5417 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [1,1,0,0,0,0|1,0,1]=4 5418 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [1,1,0,0,0,0|1,0,1]=4 5419 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [1,1,0,0,0,0|1,0,1]=4 5420 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [1,1,0,0,0,0|1,0,1]=4 5421 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [1,1,0,0,0,0|1,0,1]=4 5422 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [1,1,0,0,0,0|1,0,1]=4 5423 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [1,1,0,0,0,0|1,0,1]=4 5424 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|0,0,1]=3 5425 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|0,0,1]=3 5426 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|0,0,1]=3 5427 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 5428 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 5429 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 5430 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|1,0,1]=4 5431 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,1,0,0,0,0|1,0,1]=4 5432 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,1,0,0,0,0|1,0,1]=4 5433 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|1,0,1]=4 5434 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|1,0,1]=4 5435 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,1,0,0,0,0|1,0,1]=4 5436 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,1,0,0,0,0|1,0,1]=4 5437 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,1,0,0,0,0|1,0,1]=4 5438 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,1,0,0,0,0|1,0,1]=4 5439 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,1,0,0,0,0|1,0,1]=4 5440 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,1,0,0,0,0|1,0,1]=4 5441 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,1,0,0,0,0|1,0,1]=4 5442 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,1,0,0,0,0|1,0,1]=4 5443 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 5444 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|1,0,1]=4 5445 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 5446 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,1,0,0,0,0|1,0,1]=4 5447 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,1,0,0,0,0|1,0,1]=4 5448 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,1,0,0,0,0|1,0,1]=4 5449 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,1,0,0,0,0|1,0,1]=4 5450 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|1,0,1]=4 5451 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|1,0,1]=4 5452 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,1,0,0,0,0|1,0,1]=4 5453 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,1,0,0,0,0|1,0,1]=4 5454 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,1,0,0,0,0|1,0,1]=4 5455 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|1,0,1]=4 5456 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|1,0,1]=4 5457 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|1,0,1]=4 5458 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|1,0,1]=4 5459 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,1,0,0,0,0|1,0,1]=4 5460 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,1,0,0,0,0|1,0,1]=4 5461 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|1,0,1]=4 5462 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|1,0,1]=4 5463 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,1,0,0,0,0|1,0,1]=4 5464 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,1,0,0,0,0|1,0,1]=4 5465 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|1,0,1]=4 5466 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,1,0,0,0,0|1,0,1]=4 5467 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|1,0,1]=4 5468 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|1,0,1]=4 5469 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,1,0,0,0,0|1,0,1]=4 5470 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,1,0,0,0,0|1,0,1]=4 5471 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|1,0,1]=4 5472 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|1,0,1]=4 5473 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,1,0,0,0,0|1,0,1]=4 5474 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,1,0,0,0,0|1,0,1]=4 5475 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,1,0,0,0,0|1,0,1]=4 5476 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,1,0,0,0,0|1,0,1]=4 5477 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,1,0,0,0,0|1,0,1]=4 5478 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,1,0,0,0,0|1,0,1]=4 5479 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [1,1,0,0,0,0|1,0,1]=4 5480 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [1,1,0,0,0,0|1,0,1]=4 5481 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [1,1,0,0,0,0|2,0,0]=4 5482 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,1,0,0,0,0|2,0,0]=4 5483 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,1,0,0,0,0|2,0,0]=4 5484 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [1,1,0,0,0,0|2,0,0]=4 5485 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [1,1,0,0,0,0|2,0,0]=4 5486 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 5487 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 5488 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 5489 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 5490 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 5491 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [1,1,0,0,0,0|2,0,0]=4 5492 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [1,1,0,0,0,0|2,0,0]=4 5493 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [1,1,0,0,0,0|2,0,0]=4 5494 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [1,1,0,0,0,0|2,0,0]=4 5495 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 5496 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,1,0,0,0,0|2,0,0]=4 5497 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [1,1,0,0,0,0|2,0,0]=4 5498 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,1,0,0,0,0|2,0,0]=4 5499 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 5500 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 5501 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,1,0,0,0,0|2,0,0]=4 5502 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,1,0,0,0,0|2,0,0]=4 5503 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [1,1,0,0,0,0|2,0,0]=4 5504 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,1,0,0,0,0|2,0,0]=4 5505 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 5506 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,1,0,0,0,0|2,0,0]=4 5507 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 5508 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 5509 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 5510 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 5511 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,1,0,0,0,0|2,0,0]=4 5512 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [1,1,0,0,0,0|2,0,0]=4 5513 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [1,1,0,0,0,0|2,0,0]=4 5514 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [1,1,0,0,0,0|2,0,0]=4 5515 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [1,1,0,0,0,0|2,0,0]=4 5516 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 5517 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,1,0,0,0,0|2,0,0]=4 5518 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,1,0,0,0,0|2,0,0]=4 5519 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 5520 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [1,1,0,0,0,0|2,0,0]=4 5521 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [1,1,0,0,0,0|2,0,0]=4 5522 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [1,1,0,0,0,0|2,0,0]=4 5523 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [1,1,0,0,0,0|2,0,0]=4 5524 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 5525 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 5526 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 5527 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [1,1,0,0,0,0|2,0,0]=4 5528 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [1,1,0,0,0,0|2,0,0]=4 5529 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 5530 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 5531 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [1,1,0,0,0,0|2,0,0]=4 5532 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [1,1,0,0,0,0|2,0,0]=4 5533 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [1,1,0,0,0,0|2,0,0]=4 5534 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [1,1,0,0,0,0|2,0,0]=4 5535 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,1,0,0,0,0|2,0,0]=4 5536 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 5537 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [1,1,0,0,0,0|2,0,0]=4 5538 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [1,1,0,0,0,0|2,0,0]=4 5539 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,1,0,0,0,0|2,0,0]=4 5540 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,1,0,0,0,0|2,0,0]=4 5541 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 5542 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 5543 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 5544 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 5545 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 5546 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 5547 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 5548 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [1,1,0,0,0,0|2,0,0]=4 5549 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [1,1,0,0,0,0|2,0,0]=4 5550 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [1,1,0,0,0,0|2,0,0]=4 5551 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [1,1,0,0,0,0|2,0,0]=4 5552 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,1,0,0,0,0|2,0,0]=4 5553 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,1,0,0,0,0|2,0,0]=4 5554 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 5555 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [1,1,0,0,0,0|2,0,0]=4 5556 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 5557 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 5558 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [1,1,0,0,0,0|2,0,0]=4 5559 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,1,0,0,0,0|2,0,0]=4 5560 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,1,0,0,0,0|2,0,0]=4 5561 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [1,1,0,0,0,0|2,0,0]=4 5562 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,1,0,0,0,0|2,0,0]=4 5563 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,1,0,0,0,0|2,0,0]=4 5564 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [1,1,0,0,0,0|2,0,0]=4 5565 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [1,1,0,0,0,0|2,0,0]=4 5566 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [1,1,0,0,0,0|2,0,0]=4 5567 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [1,1,0,0,0,0|2,0,0]=4 5568 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [1,1,0,0,0,0|2,0,0]=4 5569 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,1,0,0,0,0|2,0,0]=4 5570 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,1,0,0,0,0|2,0,0]=4 5571 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,1,0,0,0,0|2,0,0]=4 5572 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [1,1,0,0,0,0|2,0,0]=4 5573 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [1,1,0,0,0,0|2,0,0]=4 5574 B11R0.148 O=CCCCCCSCC(F)F 62a_100000139337_100011934356 [1,1,0,0,0,0|2,0,0]=4 5575 B11R0.148 O=CCCCCCSCC(F)F 62a_100011934356_100000139337 [1,1,0,0,0,0|2,0,0]=4 5576 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [1,1,0,0,0,0|2,0,0]=4 5577 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011216160_100000184674 [0,2,0,0,0,0|1,0,1]=4 5578 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011220946_100012355270 [0,2,0,0,0,0|1,0,1]=4 5579 B13R0.2 C#CCC(C)OCCCCCCC=C 34a_100000685586_100011215473 [0,2,0,0,0,0|1,0,1]=4 5580 B13R0.2 C#CCC(C)OCCCCCCC=C 7a_100000685586_100011215473 [0,2,0,0,0,0|1,0,1]=4 5581 B13R0.2 C#CCCCCCCCC(=O)CC=C 1458a_100000087357_100000210623 [0,2,0,0,0,0|1,0,1]=4 5582 B13R0.2 C#CCCCCCCCC(=O)CC=C 1458a_100000210193_100153394163 [0,2,0,0,0,0|1,0,1]=4 5583 B13R0.2 C#CCCCCCCCN(C)CC=C 2230a_100000225617_100153394163 [0,2,0,0,0,0|1,0,1]=4 5584 B13R0.2 C#CCCCCCCCN(C)CC=C 269982a_100000225617_100153394163 [0,2,0,0,0,0|1,0,1]=4 5585 B13R0.2 C#CCCCCCCO[C@H](C)CC=C 34a_100000731007_100012276617 [0,2,0,0,0,0|1,0,1]=4 5586 B13R0.2 C#CCCCCCCO[C@H](C)CC=C 7a_100000731007_100012276617 [0,2,0,0,0,0|1,0,1]=4 5587 B13R0.2 C#CCCCCCOCC(C)CC=C 34a_100009832082_100012094781 [0,2,0,0,0,0|1,0,1]=4 5588 B13R0.2 C#CCCCCCOCC(C)CC=C 7a_100009832082_100012094781 [0,2,0,0,0,0|1,0,1]=4 5589 B13R0.2 C#CCCCCCOC[C@H](N)CC=C 34a_100020615467_100012094781 [0,2,0,0,0,0|1,0,1]=4 5590 B13R0.2 C#CCN(C)CCCCCCCC=C 2230a_100000225692_100012355270 [0,2,0,0,0,0|1,0,1]=4 5591 B13R0.2 C#CCN(C)CCCCCCCC=C 34a_100000225692_100012355270 [0,2,0,0,0,0|1,0,1]=4 5592 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,1]=4 5593 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,1]=4 5594 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|0,0,2]=4 5595 B13R0.2 C=CCC(C)COCCCCCC#N 7a_100009832082_100009813376 [0,2,0,0,0,0|1,0,1]=4 5596 B13R0.2 C=CCC(C)COCCCCCC=O 7a_100009832082_100000139337 [0,2,0,0,0,0|0,0,0]=2 5597 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [0,2,0,0,0,0|1,0,1]=4 5598 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [0,2,0,0,0,0|1,0,1]=4 5599 B13R0.2 C=CCC(C)COCCCCCCF 34a_100009832082_100015922095 [0,2,0,0,0,0|1,0,1]=4 5600 B13R0.2 C=CCC(C)COCCCCCCF 7a_100009832082_100015922095 [0,2,0,0,0,0|1,0,1]=4 5601 B13R0.2 C=CCC(C)COCCCCCCO 34a_100009832082_100000766143 [0,2,0,0,0,0|0,0,2]=4 5602 B13R0.2 C=CCC(C)COCCCCCCO 7a_100009832082_100000766143 [0,2,0,0,0,0|0,0,2]=4 5603 B13R0.2 C=CCCCCCCCC(=O)C=CBr 1458a_100016273825_100012355270 [0,2,0,0,0,0|1,0,1]=4 5604 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [0,2,0,0,0,0|1,0,1]=4 5605 B13R0.2 C=CCCCCCCCC(=O)C=CCl 1458a_200016279998_100012355270 [0,2,0,0,0,0|1,0,1]=4 5606 B13R0.2 C=CCCCCCCCC(=O)C=CI 1458a_100016256311_100012355270 [0,2,0,0,0,0|1,0,1]=4 5607 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100011216160_100011214920 [0,2,0,0,0,0|1,0,1]=4 5608 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100051588842_100012355270 [0,2,0,0,0,0|1,0,1]=4 5609 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100000210193_100012355270 [0,2,0,0,0,0|1,0,0]=3 5610 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100011216160_100000210623 [0,2,0,0,0,0|1,0,0]=3 5611 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|1,0,1]=4 5612 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|1,0,1]=4 5613 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,2,0,0,0,0|1,0,1]=4 5614 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|0,0,2]=4 5615 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|0,0,2]=4 5616 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|2,0,0]=4 5617 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,2,0,0,0,0|2,0,0]=4 5618 B13R0.2 C=CCCCCCCCN(C)CC#N 2230a_100000748184_100012355270 [0,2,0,0,0,0|1,0,1]=4 5619 B13R0.2 C=CCCCCCCCN(C)CC=C 2230a_100000225617_100012355270 [0,2,0,0,0,0|1,0,0]=3 5620 B13R0.2 C=CCCCCCCCN(C)CC=C 269982a_100000225617_100012355270 [0,2,0,0,0,0|1,0,0]=3 5621 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [0,2,0,0,0,0|1,0,1]=4 5622 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [0,2,0,0,0,0|1,0,1]=4 5623 B13R0.2 C=CCCCCCCCN(C)CCO 2230a_100000210263_100012355270 [0,2,0,0,0,0|0,0,2]=4 5624 B13R0.2 C=CCCCCCCCN(C)CCO 269982a_100000210263_100012355270 [0,2,0,0,0,0|0,0,2]=4 5625 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [0,2,0,0,0,0|1,0,1]=4 5626 B13R0.2 C=CCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100011215473 [0,2,0,0,0,0|1,0,1]=4 5627 B13R0.2 C=CCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215473 [0,2,0,0,0,0|0,0,2]=4 5628 B13R0.2 C=CCCCCCCN[C@H](C)CCO 34a_100000706166_100011215473 [0,2,0,0,0,0|0,0,2]=4 5629 B13R0.2 C=CCCCCCCN[C@H](C)COC 2230a_100000764878_100011215473 [0,2,0,0,0,0|2,0,0]=4 5630 B13R0.2 C=CCCCCCCOC(C)/C=C/C 34a_200102604097_100011215473 [0,2,0,0,0,0|1,0,1]=4 5631 B13R0.2 C=CCCCCCCOC(C)CC#N 7a_200011216477_100009813641 [0,2,0,0,0,0|1,0,1]=4 5632 B13R0.2 C=CCCCCCCOC(C)CCBr 34a_100012276601_100011215473 [0,2,0,0,0,0|1,0,1]=4 5633 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [0,2,0,0,0,0|1,0,1]=4 5634 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [0,2,0,0,0,0|1,0,1]=4 5635 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [0,2,0,0,0,0|1,0,1]=4 5636 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [0,2,0,0,0,0|1,0,1]=4 5637 B13R0.2 C=CCCCCCCOC(C)CCO 34a_200011216477_100009893172 [0,2,0,0,0,0|0,0,2]=4 5638 B13R0.2 C=CCCCCCCOC(C)CCO 7a_200011216477_100009893172 [0,2,0,0,0,0|0,0,2]=4 5639 B13R0.2 C=CCCCCCCOC(C)COC 34a_200011216477_100000765312 [0,2,0,0,0,0|2,0,0]=4 5640 B13R0.2 C=CCCCCCCOC(C)COC 7a_200011216477_100000765312 [0,2,0,0,0,0|2,0,0]=4 5641 B13R0.2 C=CCCCCCCO[C@H](C)CC=C 34a_100000731007_100011215473 [0,2,0,0,0,0|1,0,0]=3 5642 B13R0.2 C=CCCCCCCO[C@H](C)CC=C 7a_100000731007_100011215473 [0,2,0,0,0,0|1,0,0]=3 5643 B13R0.2 C=CCCCCCCO[C@H](C)COC 34a_100011934205_100011215473 [0,2,0,0,0,0|2,0,0]=4 5644 B13R0.2 C=CCCCCCCSC(C)CC#N 62a_100009813641_100011215473 [0,2,0,0,0,0|1,0,1]=4 5645 B13R0.2 C=CCCCCCCSC(C)CC#N 62a_100011215473_100009813641 [0,2,0,0,0,0|1,0,1]=4 5646 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100000766640_100011215473 [0,2,0,0,0,0|1,0,1]=4 5647 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100011215473_100000766640 [0,2,0,0,0,0|1,0,1]=4 5648 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100009893172_100011215473 [0,2,0,0,0,0|0,0,2]=4 5649 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100011215473_100009893172 [0,2,0,0,0,0|0,0,2]=4 5650 B13R0.2 C=CCCCCCCSC(C)COC 62a_100000765312_100011215473 [0,2,0,0,0,0|2,0,0]=4 5651 B13R0.2 C=CCCCCCCSC(C)COC 62a_100011215473_100000765312 [0,2,0,0,0,0|2,0,0]=4 5652 B13R0.2 C=CCCCCCNCC(O)COC 2230a_100000756049_100000700193 [0,2,0,0,0,0|2,0,0]=4 5653 B13R0.2 C=CCCCCCNCC(O)COC 34a_100000756049_100000700193 [0,2,0,0,0,0|2,0,0]=4 5654 B13R0.2 C=CCCCCCOCC(C)CC=C 34a_100009832082_100000700193 [0,2,0,0,0,0|1,0,0]=3 5655 B13R0.2 C=CCCCCCOCC(C)CC=C 7a_100009832082_100000700193 [0,2,0,0,0,0|1,0,0]=3 5656 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [0,2,0,0,0,0|1,0,1]=4 5657 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [0,2,0,0,0,0|1,0,1]=4 5658 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [0,2,0,0,0,0|1,0,1]=4 5659 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [0,2,0,0,0,0|1,0,1]=4 5660 B13R0.2 C=CCCCCCOCC(C)CCN 34a_106354213184_100000700193 [0,2,0,0,0,0|1,0,1]=4 5661 B13R0.2 C=CCCCCCOCC(N)COC 34a_100000724102_100000700193 [0,2,0,0,0,0|2,0,0]=4 5662 B13R0.2 C=CCCCCCOCC(O)COC 34a_100011216702_100011215053 [0,2,0,0,0,0|2,0,0]=4 5663 B13R0.2 C=CCCCCCOCC(O)COC 7a_100011216702_100011215053 [0,2,0,0,0,0|2,0,0]=4 5664 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [0,2,0,0,0,0|1,0,1]=4 5665 B13R0.2 C=CCCCCCOC[C@@H](O)CC#N 7a_100011216702_100000001066 [0,2,0,0,0,0|1,0,1]=4 5666 B13R0.2 C=CCCCCCOC[C@H](N)CC=C 34a_100020615467_100000700193 [0,2,0,0,0,0|1,0,0]=3 5667 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [0,2,0,0,0,0|1,0,1]=4 5668 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [0,2,0,0,0,0|1,0,1]=4 5669 B13R0.2 C=CCCCCCSCC(O)COC 62a_100000700193_100011215053 [0,2,0,0,0,0|2,0,0]=4 5670 B13R0.2 C=CCCCCCSCC(O)COC 62a_100011215053_100000700193 [0,2,0,0,0,0|2,0,0]=4 5671 B13R0.2 C=CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000700193 [0,2,0,0,0,0|1,0,1]=4 5672 B13R0.2 C=CCCCCCSC[C@@H](O)CC#N 62a_100000700193_100000001066 [0,2,0,0,0,0|1,0,1]=4 5673 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [0,2,0,0,0,0|1,0,1]=4 5674 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [0,2,0,0,0,0|1,0,1]=4 5675 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [0,2,0,0,0,0|1,0,1]=4 5676 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [0,2,0,0,0,0|1,0,1]=4 5677 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [0,2,0,0,0,0|1,0,1]=4 5678 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [0,2,0,0,0,0|1,0,1]=4 5679 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [0,2,0,0,0,0|1,0,1]=4 5680 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [0,2,0,0,0,0|1,0,1]=4 5681 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [0,2,0,0,0,0|1,0,1]=4 5682 B13R0.2 C=CCN(C)CCCCCCCCO 2230a_100000225617_100000033203 [0,2,0,0,0,0|0,0,2]=4 5683 B13R0.2 C=CCN(C)CCCCCCCCO 269982a_100000225617_100000033203 [0,2,0,0,0,0|0,0,2]=4 5684 B13R0.2 C=CC[C@@H](C)OCCCCCCC#N 7a_100000731007_100009813337 [0,2,0,0,0,0|1,0,1]=4 5685 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,2,0,0,0,0|1,0,1]=4 5686 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,2,0,0,0,0|1,0,1]=4 5687 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 34a_100000731007_100000760002 [0,2,0,0,0,0|0,0,2]=4 5688 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 7a_100000731007_100000760002 [0,2,0,0,0,0|0,0,2]=4 5689 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 34a_100000731007_100011998445 [0,2,0,0,0,0|2,0,0]=4 5690 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 7a_100000731007_100011998445 [0,2,0,0,0,0|2,0,0]=4 5691 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [0,2,0,0,0,0|1,0,1]=4 5692 B13R0.2 C=CC[C@@H](N)COCCCCCCF 34a_100020615467_100015922095 [0,2,0,0,0,0|1,0,1]=4 5693 B13R0.2 C=CC[C@@H](N)COCCCCCCO 34a_100020615467_100000766143 [0,2,0,0,0,0|0,0,2]=4 5694 B13R0.2 C=COC(=O)CSCCCCCC=O 62a_100000036128_100000139337 [0,2,0,0,0,0|1,0,1]=4 5695 B13R0.2 C=COC(=O)CSCCCCCC=O 62a_100000139337_100000036128 [0,2,0,0,0,0|1,0,1]=4 5696 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [0,2,0,0,0,0|0,0,2]=4 5697 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [0,2,0,0,0,0|0,0,2]=4 5698 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [0,2,0,0,0,0|0,0,2]=4 5699 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [0,2,0,0,0,0|0,0,2]=4 5700 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [0,2,0,0,0,0|0,0,2]=4 5701 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,2,0,0,0,0|0,0,2]=4 5702 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,2,0,0,0,0|0,0,2]=4 5703 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [0,2,0,0,0,0|1,0,1]=4 5704 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [0,2,0,0,0,0|1,0,1]=4 5705 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [0,2,0,0,0,0|1,0,1]=4 5706 B13R0.2 N#CC[C@H](O)CSCCCCCC=O 62a_100000001066_100000139337 [0,2,0,0,0,0|1,0,1]=4 5707 B13R0.2 N#CC[C@H](O)CSCCCCCC=O 62a_100000139337_100000001066 [0,2,0,0,0,0|1,0,1]=4 5708 B13R0.66 C#CCCC(=O)CCCCCCC=C 1458a_100000692101_100011215473 [0,2,0,0,0,0|1,0,1]=4 5709 B13R0.66 C#CCCC(=O)CCCCCCC=C 1458a_100011809334_100000753159 [0,2,0,0,0,0|1,0,1]=4 5710 B13R0.66 C#CCCCCCCC(=O)CCC=C 1458a_100000034748_100000754431 [0,2,0,0,0,0|1,0,1]=4 5711 B13R0.66 C#CCCCCCCC(=O)CCC=C 1458a_100000749702_100012276617 [0,2,0,0,0,0|1,0,1]=4 5712 B13R0.66 C#CCCCCCCN(C)CCC=C 2230a_100020639649_100012276617 [0,2,0,0,0,0|1,0,1]=4 5713 B13R0.66 C#CCCCCCCN(C)CCC=C 269982a_100020639649_100012276617 [0,2,0,0,0,0|1,0,1]=4 5714 B13R0.66 C#CCCCCCOC(C)CCC=C 34a_100000765329_100012094781 [0,2,0,0,0,0|1,0,1]=4 5715 B13R0.66 C#CCCCCCOC(C)CCC=C 7a_100000765329_100012094781 [0,2,0,0,0,0|1,0,1]=4 5716 B13R0.66 C=CCCC(=O)CCCCCCC#N 1458a_100000749702_100009813337 [0,2,0,0,0,0|1,0,1]=4 5717 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,1]=4 5718 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,1]=4 5719 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,2,0,0,0,0|0,0,2]=4 5720 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,2,0,0,0,0|0,0,2]=4 5721 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,2,0,0,0,0|2,0,0]=4 5722 B13R0.66 C=CCCC(C)NCCCCCC#N 270004a_100000061152_100000762624 [0,2,0,0,0,0|1,0,1]=4 5723 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [0,2,0,0,0,0|1,0,1]=4 5724 B13R0.66 C=CCCC(C)NCCCCCCO 270004a_100000686447_100000762624 [0,2,0,0,0,0|0,0,2]=4 5725 B13R0.66 C=CCCC(C)NCCCCCOC 270004a_100000747528_100000762624 [0,2,0,0,0,0|2,0,0]=4 5726 B13R0.66 C=CCCC(C)OCCCCCC#N 7a_100000765329_100009813376 [0,2,0,0,0,0|1,0,1]=4 5727 B13R0.66 C=CCCC(C)OCCCCCC=O 7a_100000765329_100000139337 [0,2,0,0,0,0|0,0,0]=2 5728 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [0,2,0,0,0,0|1,0,1]=4 5729 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [0,2,0,0,0,0|1,0,1]=4 5730 B13R0.66 C=CCCC(C)OCCCCCCF 34a_100000765329_100015922095 [0,2,0,0,0,0|1,0,1]=4 5731 B13R0.66 C=CCCC(C)OCCCCCCF 7a_100000765329_100015922095 [0,2,0,0,0,0|1,0,1]=4 5732 B13R0.66 C=CCCC(C)OCCCCCCO 34a_100000765329_100000766143 [0,2,0,0,0,0|0,0,2]=4 5733 B13R0.66 C=CCCC(C)OCCCCCCO 7a_100000765329_100000766143 [0,2,0,0,0,0|0,0,2]=4 5734 B13R0.66 C=CCCCCCCC(=O)C/C=C/C 1458a_100011809334_100102629194 [0,2,0,0,0,0|1,0,1]=4 5735 B13R0.66 C=CCCCCCCC(=O)CC=CC 1458a_100011809334_100000070051 [0,2,0,0,0,0|1,0,1]=4 5736 B13R0.66 C=CCCCCCCC(=O)CC=CC 1458a_100121576822_100011215473 [0,2,0,0,0,0|1,0,1]=4 5737 B13R0.66 C=CCCCCCCC(=O)CCC#N 1458a_100011809334_100011215226 [0,2,0,0,0,0|1,0,1]=4 5738 B13R0.66 C=CCCCCCCC(=O)CCC#N 1458a_100011934036_100011215473 [0,2,0,0,0,0|1,0,1]=4 5739 B13R0.66 C=CCCCCCCC(=O)CCC=C 1458a_100000749702_100011215473 [0,2,0,0,0,0|1,0,0]=3 5740 B13R0.66 C=CCCCCCCC(=O)CCC=C 1458a_100011809334_100000754431 [0,2,0,0,0,0|1,0,0]=3 5741 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,2,0,0,0,0|1,0,1]=4 5742 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,2,0,0,0,0|1,0,1]=4 5743 B13R0.66 C=CCCCCCCC(=O)CCCF 1458a_100011809334_100011934791 [0,2,0,0,0,0|1,0,1]=4 5744 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [0,2,0,0,0,0|0,0,2]=4 5745 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [0,2,0,0,0,0|2,0,0]=4 5746 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [0,2,0,0,0,0|2,0,0]=4 5747 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100000174002_100011215473 [0,2,0,0,0,0|2,0,0]=4 5748 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100011809334_100000751147 [0,2,0,0,0,0|2,0,0]=4 5749 B13R0.66 C=CCCCCCCC(=O)NCC=C 1626a_100020586998_100011809334 [0,2,0,0,0,0|1,0,1]=4 5750 B13R0.66 C=CCCCCCCC(=O)NCC=C 240690a_100020586998_100011809334 [0,2,0,0,0,0|1,0,1]=4 5751 B13R0.66 C=CCCCCCCC(=O)NCC=C 527a_100020586998_100011809334 [0,2,0,0,0,0|1,0,1]=4 5752 B13R0.66 C=CCCCCCCN(C)CCC#N 2230a_100000184479_100011215473 [0,2,0,0,0,0|1,0,1]=4 5753 B13R0.66 C=CCCCCCCN(C)CCC=C 2230a_100020639649_100011215473 [0,2,0,0,0,0|1,0,0]=3 5754 B13R0.66 C=CCCCCCCN(C)CCC=C 269982a_100020639649_100011215473 [0,2,0,0,0,0|1,0,0]=3 5755 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [0,2,0,0,0,0|1,0,1]=4 5756 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [0,2,0,0,0,0|1,0,1]=4 5757 B13R0.66 C=CCCCCCCN(C)CCCO 2230a_100000213112_100011215473 [0,2,0,0,0,0|0,0,2]=4 5758 B13R0.66 C=CCCCCCCN(C)CCCO 269982a_100000213112_100011215473 [0,2,0,0,0,0|0,0,2]=4 5759 B13R0.66 C=CCCCCCCN(C)CCOC 2230a_100000743101_100011215473 [0,2,0,0,0,0|2,0,0]=4 5760 B13R0.66 C=CCCCCCCN(C)CCOC 269982a_100000743101_100011215473 [0,2,0,0,0,0|2,0,0]=4 5761 B13R0.66 C=CCCCCCCN(C)CCSC 2230a_100000686725_100011215473 [0,2,0,0,0,0|2,0,0]=4 5762 B13R0.66 C=CCCCCCCN(C)CCSC 269982a_100000686725_100011215473 [0,2,0,0,0,0|2,0,0]=4 5763 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [0,2,0,0,0,0|1,0,1]=4 5764 B13R0.66 C=CCCCCCOC(C)CCC=C 34a_100000765329_100000700193 [0,2,0,0,0,0|1,0,0]=3 5765 B13R0.66 C=CCCCCCOC(C)CCC=C 7a_100000765329_100000700193 [0,2,0,0,0,0|1,0,0]=3 5766 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [0,2,0,0,0,0|1,0,1]=4 5767 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [0,2,0,0,0,0|1,0,1]=4 5768 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [0,2,0,0,0,0|1,0,1]=4 5769 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [0,2,0,0,0,0|1,0,1]=4 5770 B13R0.66 C=CCCCCCOC(C)CCCCl 34a_200000718107_100000700193 [0,2,0,0,0,0|1,0,1]=4 5771 B13R0.66 C=CCCCCCOC(C)CCCCl 7a_200000718107_100000700193 [0,2,0,0,0,0|1,0,1]=4 5772 B13R0.66 C=CCCCCCSC(C)CCCC 62a_100000700193_200011215066 [0,2,0,0,0,0|1,0,1]=4 5773 B13R0.66 C=CCCCCCSC(C)CCCC 62a_200011215066_100000700193 [0,2,0,0,0,0|1,0,1]=4 5774 B13R0.66 C=CCCCCNC[C@H](C)CCCO 2230a_100160569302_100011215482 [0,2,0,0,0,0|0,0,2]=4 5775 B13R0.66 C=CCCCCNC[C@H](C)CCCO 34a_100160569302_100011215482 [0,2,0,0,0,0|0,0,2]=4 5776 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [0,2,0,0,0,0|1,0,1]=4 5777 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [0,2,0,0,0,0|1,0,1]=4 5778 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [0,2,0,0,0,0|1,0,1]=4 5779 B13R0.66 C=CCCCCOC[C@@H](N)CCSC 34a_100011827619_100011215482 [0,2,0,0,0,0|2,0,0]=4 5780 B13R0.66 C=CCCN(C)CCCCCCC#N 2230a_100020639649_100009813337 [0,2,0,0,0,0|1,0,1]=4 5781 B13R0.66 C=CCCN(C)CCCCCCC#N 269982a_100020639649_100009813337 [0,2,0,0,0,0|1,0,1]=4 5782 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [0,2,0,0,0,0|1,0,1]=4 5783 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [0,2,0,0,0,0|1,0,1]=4 5784 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [0,2,0,0,0,0|1,0,1]=4 5785 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [0,2,0,0,0,0|1,0,1]=4 5786 B13R0.66 C=CCCN(C)CCCCCCCO 2230a_100020639649_100000760002 [0,2,0,0,0,0|0,0,2]=4 5787 B13R0.66 C=CCCN(C)CCCCCCCO 269982a_100020639649_100000760002 [0,2,0,0,0,0|0,0,2]=4 5788 B13R0.66 C=CCCN(C)CCCCCCOC 2230a_100020639649_100011998445 [0,2,0,0,0,0|2,0,0]=4 5789 B13R0.66 C=CCCN(C)CCCCCCOC 269982a_100020639649_100011998445 [0,2,0,0,0,0|2,0,0]=4 5790 B13R0.66 C=CCNC(=O)CCSCCCC=O 62a_100011222895_200011292268 [0,2,0,0,0,0|1,0,1]=4 5791 B13R0.66 C=CCNC(=O)CCSCCCC=O 62a_200011292268_100011222895 [0,2,0,0,0,0|1,0,1]=4 5792 B13R0.66 C=CCNC(=O)CSCCCCC=O 62a_100000139335_100000183597 [0,2,0,0,0,0|1,0,1]=4 5793 B13R0.66 C=CCNC(=O)CSCCCCC=O 62a_100000183597_100000139335 [0,2,0,0,0,0|1,0,1]=4 5794 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [0,2,0,0,0,0|1,0,1]=4 5795 B13R0.66 C=CCOC(=O)CSCCCCC=O 62a_100000033060_100000139335 [0,2,0,0,0,0|1,0,1]=4 5796 B13R0.66 C=CCOC(=O)CSCCCCC=O 62a_100000139335_100000033060 [0,2,0,0,0,0|1,0,1]=4 5797 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 5798 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 5799 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [0,2,0,0,0,0|1,0,1]=4 5800 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [0,2,0,0,0,0|1,0,1]=4 5801 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [0,2,0,0,0,0|1,0,1]=4 5802 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [0,2,0,0,0,0|0,0,2]=4 5803 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [0,2,0,0,0,0|0,0,2]=4 5804 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [0,2,0,0,0,0|0,0,2]=4 5805 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [0,2,0,0,0,0|0,0,2]=4 5806 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [0,2,0,0,0,0|0,0,2]=4 5807 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [0,2,0,0,0,0|0,0,2]=4 5808 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [0,2,0,0,0,0|0,0,2]=4 5809 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,2,0,0,0,0|0,0,2]=4 5810 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,2,0,0,0,0|0,0,2]=4 5811 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [0,2,0,0,0,0|1,0,1]=4 5812 B13R0.88 C=CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210623 [0,2,0,0,0,0|1,0,1]=4 5813 B13R0.88 C=CCC(=O)CCCCCOC(=O)C 1458a_100000210193_100000033007 [0,2,0,0,0,0|1,0,1]=4 5814 B13R0.88 C=CCC(C)COCCCCC(=O)C 34a_100009832082_100009817362 [0,2,0,0,0,0|1,0,0]=3 5815 B13R0.88 C=CCC(C)COCCCCC(=O)C 7a_100009832082_100000735457 [0,2,0,0,0,0|1,0,0]=3 5816 B13R0.88 C=CCC(C)COCCCOC(=O)C 34a_100009832082_100000042594 [0,2,0,0,0,0|2,0,0]=4 5817 B13R0.88 C=CCC(C)COCCCOC(=O)C 7a_100009832082_100000042594 [0,2,0,0,0,0|2,0,0]=4 5818 B13R0.88 C=CCC(C)COCCCSC(=O)C 34a_100009832082_100000038929 [0,2,0,0,0,0|2,0,0]=4 5819 B13R0.88 C=CCC(C)COCCCSC(=O)C 7a_100009832082_100000038929 [0,2,0,0,0,0|2,0,0]=4 5820 B13R0.88 C=CCC(C)COCCOCC(=O)N 34a_100009832082_100000076697 [0,2,0,0,0,0|2,0,0]=4 5821 B13R0.88 C=CCC(C)COCCOCC(=O)N 7a_100009832082_100000076697 [0,2,0,0,0,0|2,0,0]=4 5822 B13R0.88 C=CCN(C)CCCCCOC(=O)C 2230a_100000225617_100009813381 [0,2,0,0,0,0|2,0,0]=4 5823 B13R0.88 C=CCN(C)CCCCCOC(=O)C 269982a_100000225617_100000033007 [0,2,0,0,0,0|2,0,0]=4 5824 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 34a_100000731007_100009817443 [0,2,0,0,0,0|1,0,0]=3 5825 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 7a_100000731007_100009817443 [0,2,0,0,0,0|1,0,0]=3 5826 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 34a_100000731007_100000033659 [0,2,0,0,0,0|2,0,0]=4 5827 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 7a_100000731007_100000033659 [0,2,0,0,0,0|2,0,0]=4 5828 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 34a_100000731007_200010402107 [0,2,0,0,0,0|2,0,0]=4 5829 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 7a_100000731007_200010402107 [0,2,0,0,0,0|2,0,0]=4 5830 B13R0.88 C=CC[C@@H](N)COCCCCC(=O)C 34a_100020615467_100009817362 [0,2,0,0,0,0|1,0,0]=3 5831 B13R0.88 C=CC[C@@H](N)COCCCOC(=O)C 34a_100020615467_100000042594 [0,2,0,0,0,0|2,0,0]=4 5832 B13R0.88 C=CC[C@@H](N)COCCCSC(=O)C 34a_100020615467_100000038929 [0,2,0,0,0,0|2,0,0]=4 5833 B13R0.88 C=CC[C@@H](N)COCCOCC(=O)N 34a_100020615467_100000076697 [0,2,0,0,0,0|2,0,0]=4 5834 B13R0.275 C=CCCCCCC(=O)C(C)CC=C 1458a_100011216819_100000700193 [0,2,0,0,0,0|1,0,1]=4 5835 B13R0.282 C=CCC(C=C)OCCCCCC=O 7a_100000038011_100000139337 [0,2,0,0,0,0|1,0,0]=3 5836 B13R0.282 C=CCCCCCN[C@@H](CO)CC=C 2230a_100020615467_100000700193 [0,2,0,0,0,0|2,0,0]=4 5837 B13R0.282 C=CCCCCCOC(C=C)CC=C 34a_100000038011_100000700193 [0,2,0,0,0,0|2,0,0]=4 5838 B13R0.282 C=CCCCCCOC(C=C)CC=C 7a_100000038011_100000700193 [0,2,0,0,0,0|2,0,0]=4 5839 B13R0.282 C=CC[C@H](CO)NCCCCCC=O 2230a_100020615467_100000139337 [0,2,0,0,0,0|1,0,0]=3 5840 B13R0.335 C=CCCCCCCC(=O)CC(=C)C 1458a_100011809334_100000748629 [0,2,0,0,0,0|1,0,1]=4 5841 B13R0.335 C=CCCCCCCC(=O)CC(=C)F 1458a_100011809334_100009893438 [0,2,0,0,0,0|1,0,1]=4 5842 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100011809334_100000187820 [0,2,0,0,0,0|0,0,1]=3 5843 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215473 [0,2,0,0,0,0|0,0,1]=3 5844 B13R0.335 C=CCCCCCCC(=O)CC(=O)[O-] 1458a_100011809334_100020667443 [0,2,0,0,0,0|0,0,1]=3 5845 B13R0.335 C=CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011809334_100000761209 [0,2,0,0,0,0|1,0,1]=4 5846 B13R0.335 C=CCCCCCCN(C)CC(=C)C 2230a_100000225649_100011215473 [0,2,0,0,0,0|2,0,0]=4 5847 B13R0.335 C=CCCCCCCN(C)CC(=C)C 269982a_100000225649_100011215473 [0,2,0,0,0,0|2,0,0]=4 5848 B13R0.335 C=CCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215473 [0,2,0,0,0,0|1,0,0]=3 5849 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [0,2,0,0,0,0|1,0,0]=3 5850 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100000700193_100009818208 [0,2,0,0,0,0|2,0,0]=4 5851 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100009818208_100000700193 [0,2,0,0,0,0|2,0,0]=4 5852 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [0,2,0,0,0,0|1,0,0]=3 5853 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [0,2,0,0,0,0|2,0,0]=4 5854 B13R0.340 C=CCCCCCCC(=O)C(C)C=C 1458a_100011216780_100011215473 [0,2,0,0,0,0|1,0,1]=4 5855 B13R0.340 C=CCCCCCO[C@H](C)[C@H](C)C=C 34a_100015455354_100000700193 [0,2,0,0,0,0|2,0,0]=4 5856 B13R0.340 C=CCCCCCO[C@H](C)[C@H](C)C=C 7a_100015455354_100000700193 [0,2,0,0,0,0|2,0,0]=4 5857 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCC=O 7a_100015455354_100000139337 [0,2,0,0,0,0|1,0,0]=3 5858 B13R0.1338 C=CCC(C)(C)OCCCCCC=O 7a_100011995686_100000139337 [0,2,0,0,0,0|1,0,0]=3 5859 B13R0.1338 C=CCCCCCOC(C)(C)CC=C 7a_100011995686_100000700193 [0,2,0,0,0,0|2,0,0]=4 5860 B13R0.1338 C=CC[Si](C)(C)CSCCCCC=O 62a_100000046978_100000139335 [0,2,0,0,0,0|1,1,0]=4 5861 B13R0.1338 C=CC[Si](C)(C)CSCCCCC=O 62a_100000139335_100000046978 [0,2,0,0,0,0|1,1,0]=4 5862 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,2,0,0,0,0|0,0,2]=4 5863 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,2,0,0,0,0|0,0,2]=4 5864 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 5865 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000210245_100153394163 [0,2,0,0,0,0|1,0,1]=4 5866 B13R0.54 C#CCCCCCCCOCC(=C)C 7a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 5867 B13R0.54 C#CCCCCCCCOCC(=C)F 34a_100000054614_100009893438 [0,2,0,0,0,0|1,0,1]=4 5868 B13R0.54 C#CCCCCCCCOCC(=C)F 34a_200010262243_100153394163 [0,2,0,0,0,0|1,0,1]=4 5869 B13R0.54 C#CCCCCCCCOCC(=C)F 7a_100000054614_100000042424 [0,2,0,0,0,0|1,0,1]=4 5870 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,2,0,0,0,0|0,0,2]=4 5871 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,2,0,0,0,0|0,0,2]=4 5872 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,2,0,0,0,0|0,0,2]=4 5873 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,2,0,0,0,0|0,0,2]=4 5874 B13R0.54 C#CCCCCCCCSCC(=C)C 62a_100000748629_100153394163 [0,2,0,0,0,0|1,0,1]=4 5875 B13R0.54 C#CCCCCCCCSCC(=C)C 62a_100153394163_100000211660 [0,2,0,0,0,0|1,0,1]=4 5876 B13R0.54 C#CCCCCCCCSCC(=C)F 62a_100000042424_100153394163 [0,2,0,0,0,0|1,0,1]=4 5877 B13R0.54 C#CCCCCCCCSCC(=C)F 62a_100153394163_100000042424 [0,2,0,0,0,0|1,0,1]=4 5878 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,2,0,0,0,0|0,0,2]=4 5879 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,2,0,0,0,0|0,0,2]=4 5880 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,2,0,0,0,0|0,0,2]=4 5881 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,2,0,0,0,0|0,0,2]=4 5882 B13R0.54 C#CCCCCCCOCCC(=C)Br 34a_100009813270_100012276617 [0,2,0,0,0,0|1,0,1]=4 5883 B13R0.54 C#CCCCCCCOCCC(=C)C 34a_100000764851_100012276617 [0,2,0,0,0,0|1,0,1]=4 5884 B13R0.54 C#CCCCCCCOCCC(=C)C 34a_100011217361_100000730704 [0,2,0,0,0,0|1,0,1]=4 5885 B13R0.54 C#CCCCCCCOCCC(=C)C 7a_100011217361_100000730704 [0,2,0,0,0,0|1,0,1]=4 5886 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,2,0,0,0,0|0,0,2]=4 5887 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,2,0,0,0,0|0,0,2]=4 5888 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,2,0,0,0,0|0,0,2]=4 5889 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,2,0,0,0,0|0,0,2]=4 5890 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,2,0,0,0,0|0,0,2]=4 5891 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,2,0,0,0,0|0,0,2]=4 5892 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,2,0,0,0,0|0,0,2]=4 5893 B13R0.54 C#CCCCCCCSCCC(=C)C 62a_100000730704_100012276617 [0,2,0,0,0,0|1,0,1]=4 5894 B13R0.54 C#CCCCCCCSCCC(=C)C 62a_100012276617_100000730704 [0,2,0,0,0,0|1,0,1]=4 5895 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,2,0,0,0,0|0,0,2]=4 5896 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,2,0,0,0,0|0,0,2]=4 5897 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,2,0,0,0,0|0,0,2]=4 5898 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,2,0,0,0,0|0,0,2]=4 5899 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,2,0,0,0,0|0,0,2]=4 5900 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,2,0,0,0,0|0,0,2]=4 5901 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,2,0,0,0,0|0,0,2]=4 5902 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,2,0,0,0,0|0,0,2]=4 5903 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,2,0,0,0,0|0,0,2]=4 5904 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,2,0,0,0,0|0,0,2]=4 5905 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,2,0,0,0,0|0,0,2]=4 5906 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,2,0,0,0,0|0,0,2]=4 5907 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,2,0,0,0,0|0,0,2]=4 5908 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,2,0,0,0,0|0,0,2]=4 5909 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,2,0,0,0,0|0,0,2]=4 5910 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,2,0,0,0,0|0,0,2]=4 5911 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,2,0,0,0,0|0,0,2]=4 5912 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,2,0,0,0,0|0,0,2]=4 5913 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,2,0,0,0,0|0,0,2]=4 5914 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,2,0,0,0,0|0,0,2]=4 5915 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,2,0,0,0,0|0,0,2]=4 5916 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,2,0,0,0,0|0,0,2]=4 5917 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,2,0,0,0,0|0,0,2]=4 5918 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,2,0,0,0,0|0,0,2]=4 5919 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,2,0,0,0,0|0,0,2]=4 5920 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,2,0,0,0,0|0,0,2]=4 5921 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,2,0,0,0,0|0,0,2]=4 5922 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,2,0,0,0,0|0,0,2]=4 5923 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,2,0,0,0,0|0,0,2]=4 5924 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,2,0,0,0,0|0,0,2]=4 5925 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,2,0,0,0,0|0,0,2]=4 5926 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,2,0,0,0,0|1,0,0]=3 5927 B13R0.54 C/C=C/CCOCCCCOC(=O)C 34a_100016278192_100000033659 [0,2,0,0,0,0|2,0,0]=4 5928 B13R0.54 C/C=C/CCOCCCCSC(=O)C 34a_100016278192_200010402107 [0,2,0,0,0,0|2,0,0]=4 5929 B13R0.54 C/C=C/CNCCCCCNC(=O)C 34a_200012022750_100102629194 [0,2,0,0,0,0|2,0,0]=4 5930 B13R0.54 C/C=C/COCCCCCOC(=O)C 34a_100016270725_100000033007 [0,2,0,0,0,0|2,0,0]=4 5931 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100000033007_100102629194 [0,2,0,0,0,0|2,0,0]=4 5932 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100102629194_100000033007 [0,2,0,0,0,0|2,0,0]=4 5933 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,2,0,0,0,0|1,0,1]=4 5934 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,2,0,0,0,0|0,0,2]=4 5935 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,2,0,0,0,0|2,0,0]=4 5936 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,2,0,0,0,0|1,0,1]=4 5937 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,2,0,0,0,0|1,0,1]=4 5938 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,2,0,0,0,0|0,0,2]=4 5939 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,2,0,0,0,0|0,0,2]=4 5940 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,2,0,0,0,0|1,0,1]=4 5941 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,2,0,0,0,0|1,0,1]=4 5942 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,2,0,0,0,0|1,0,1]=4 5943 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,2,0,0,0,0|1,0,1]=4 5944 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,2,0,0,0,0|1,0,1]=4 5945 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,2,0,0,0,0|1,0,1]=4 5946 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,2,0,0,0,0|0,0,2]=4 5947 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|2,0,0]=4 5948 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 5949 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 5950 B13R0.54 C=C(C)CCSCCCCCCC#N 62a_100000730704_100009813337 [0,2,0,0,0,0|1,0,1]=4 5951 B13R0.54 C=C(C)CCSCCCCCCC#N 62a_100009813337_100000730704 [0,2,0,0,0,0|1,0,1]=4 5952 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,2,0,0,0,0|1,0,1]=4 5953 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,2,0,0,0,0|1,0,1]=4 5954 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,2,0,0,0,0|0,0,2]=4 5955 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,2,0,0,0,0|0,0,2]=4 5956 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,2,0,0,0,0|2,0,0]=4 5957 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,2,0,0,0,0|2,0,0]=4 5958 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,2,0,0,0,0|1,0,1]=4 5959 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,2,0,0,0,0|1,0,1]=4 5960 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,2,0,0,0,0|0,0,2]=4 5961 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,2,0,0,0,0|0,0,2]=4 5962 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,2,0,0,0,0|1,0,1]=4 5963 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,2,0,0,0,0|1,0,1]=4 5964 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,2,0,0,0,0|1,0,1]=4 5965 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,2,0,0,0,0|1,0,1]=4 5966 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,2,0,0,0,0|1,0,1]=4 5967 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,2,0,0,0,0|1,0,1]=4 5968 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,2,0,0,0,0|1,0,1]=4 5969 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,2,0,0,0,0|1,0,1]=4 5970 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,2,0,0,0,0|0,0,2]=4 5971 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,2,0,0,0,0|1,0,1]=4 5972 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,2,0,0,0,0|0,0,2]=4 5973 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,2,0,0,0,0|0,0,2]=4 5974 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,2,0,0,0,0|1,0,1]=4 5975 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,2,0,0,0,0|1,0,1]=4 5976 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,2,0,0,0,0|0,0,2]=4 5977 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,2,0,0,0,0|0,0,2]=4 5978 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,2,0,0,0,0|1,0,1]=4 5979 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,2,0,0,0,0|1,0,1]=4 5980 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,2,0,0,0,0|1,0,1]=4 5981 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,2,0,0,0,0|1,0,1]=4 5982 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,2,0,0,0,0|1,0,1]=4 5983 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,2,0,0,0,0|1,0,1]=4 5984 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,2,0,0,0,0|1,0,1]=4 5985 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,2,0,0,0,0|1,0,1]=4 5986 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,2,0,0,0,0|0,0,2]=4 5987 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,2,0,0,0,0|1,0,1]=4 5988 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,2,0,0,0,0|0,0,2]=4 5989 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,2,0,0,0,0|0,0,2]=4 5990 B13R0.54 C=CCCC/C=C/COCCC(=O)C 7a_200016268473_100000053229 [0,2,0,0,0,0|0,0,2]=4 5991 B13R0.54 C=CCCC/C=C/COCCC(=O)N 34a_200016268473_100000731001 [0,2,0,0,0,0|0,0,2]=4 5992 B13R0.54 C=CCCC/C=C/COCCC(=O)N 7a_200016268473_100000744528 [0,2,0,0,0,0|0,0,2]=4 5993 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|0,0,0]=2 5994 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,2,0,0,0,0|1,0,1]=4 5995 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,2,0,0,0,0|1,0,1]=4 5996 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [0,2,0,0,0,0|1,0,1]=4 5997 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [0,2,0,0,0,0|1,0,1]=4 5998 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,2,0,0,0,0|1,0,1]=4 5999 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,2,0,0,0,0|1,0,1]=4 6000 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,2,0,0,0,0|1,0,1]=4 6001 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100000210206_100011933949 [0,2,0,0,0,0|1,0,1]=4 6002 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100011933949_100000210206 [0,2,0,0,0,0|1,0,1]=4 6003 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,2,0,0,0,0|0,0,0]=2 6004 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,2,0,0,0,0|0,0,0]=2 6005 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [0,2,0,0,0,0|1,0,1]=4 6006 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [0,2,0,0,0,0|1,0,1]=4 6007 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,2,0,0,0,0|0,0,2]=4 6008 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,2,0,0,0,0|0,0,2]=4 6009 B13R0.54 C=CCCCCCCCNCC(F)F 34a_100000765723_100012355270 [0,2,0,0,0,0|1,0,1]=4 6010 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,2,0,0,0,0|1,0,0]=3 6011 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,2,0,0,0,0|1,0,0]=3 6012 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,2,0,0,0,0|1,0,0]=3 6013 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_100000730831_100009893438 [0,2,0,0,0,0|1,0,0]=3 6014 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_200010262243_100012355270 [0,2,0,0,0,0|1,0,0]=3 6015 B13R0.54 C=CCCCCCCCOCC(=C)F 7a_100000730831_100000042424 [0,2,0,0,0,0|1,0,0]=3 6016 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,2,0,0,0,0|0,0,0]=2 6017 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,2,0,0,0,0|0,0,0]=2 6018 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,2,0,0,0,0|0,0,0]=2 6019 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,2,0,0,0,0|0,0,0]=2 6020 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [0,2,0,0,0,0|1,0,1]=4 6021 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [0,2,0,0,0,0|1,0,1]=4 6022 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [0,2,0,0,0,0|1,0,1]=4 6023 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [0,2,0,0,0,0|1,0,1]=4 6024 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [0,2,0,0,0,0|1,0,1]=4 6025 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,2,0,0,0,0|0,0,2]=4 6026 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,2,0,0,0,0|0,0,2]=4 6027 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000730831_100011934356 [0,2,0,0,0,0|1,0,1]=4 6028 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000743014_100012355270 [0,2,0,0,0,0|1,0,1]=4 6029 B13R0.54 C=CCCCCCCCOCC(F)F 7a_100000730831_100011934356 [0,2,0,0,0,0|1,0,1]=4 6030 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [0,2,0,0,0,0|1,0,1]=4 6031 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [0,2,0,0,0,0|1,0,1]=4 6032 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,2,0,0,0,0|0,0,2]=4 6033 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,2,0,0,0,0|0,0,2]=4 6034 B13R0.54 C=CCCCCCCCOC[N+](=O)[O-] 34a_100000730831_100000761209 [0,2,0,0,0,0|1,0,0]=3 6035 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100000748629_100012355270 [0,2,0,0,0,0|1,0,0]=3 6036 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100012355270_100000211660 [0,2,0,0,0,0|1,0,0]=3 6037 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100000042424_100012355270 [0,2,0,0,0,0|1,0,0]=3 6038 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100012355270_100000042424 [0,2,0,0,0,0|1,0,0]=3 6039 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,2,0,0,0,0|0,0,0]=2 6040 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,2,0,0,0,0|0,0,0]=2 6041 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,2,0,0,0,0|0,0,0]=2 6042 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,2,0,0,0,0|0,0,0]=2 6043 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [0,2,0,0,0,0|1,0,1]=4 6044 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [0,2,0,0,0,0|1,0,1]=4 6045 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,2,0,0,0,0|0,0,2]=4 6046 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,2,0,0,0,0|0,0,2]=4 6047 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100011934356_100012355270 [0,2,0,0,0,0|1,0,1]=4 6048 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100012355270_100011934356 [0,2,0,0,0,0|1,0,1]=4 6049 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,2,0,0,0,0|0,0,2]=4 6050 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,2,0,0,0,0|0,0,2]=4 6051 B13R0.54 C=CCCCCCCCSC[N+](=O)[O-] 62a_100012355270_100000761209 [0,2,0,0,0,0|1,0,0]=3 6052 B13R0.54 C=CCCCCCCNCC=C(C)C 34a_100000718196_100011215473 [0,2,0,0,0,0|1,0,1]=4 6053 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,2,0,0,0,0|0,0,2]=4 6054 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [0,2,0,0,0,0|1,0,0]=3 6055 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_100000753907_100011215473 [0,2,0,0,0,0|1,0,1]=4 6056 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_200011216477_100000761012 [0,2,0,0,0,0|1,0,1]=4 6057 B13R0.54 C=CCCCCCCOCC=C(C)C 7a_200011216477_100000761012 [0,2,0,0,0,0|1,0,1]=4 6058 B13R0.54 C=CCCCCCCOCCC(=C)Br 34a_100009813270_100011215473 [0,2,0,0,0,0|1,0,0]=3 6059 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_100000764851_100011215473 [0,2,0,0,0,0|1,0,0]=3 6060 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_200011216477_100000730704 [0,2,0,0,0,0|1,0,0]=3 6061 B13R0.54 C=CCCCCCCOCCC(=C)C 7a_200011216477_100000730704 [0,2,0,0,0,0|1,0,0]=3 6062 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,2,0,0,0,0|0,0,0]=2 6063 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,2,0,0,0,0|0,0,0]=2 6064 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,2,0,0,0,0|0,0,0]=2 6065 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,2,0,0,0,0|0,0,0]=2 6066 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,2,0,0,0,0|0,0,0]=2 6067 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,2,0,0,0,0|0,0,0]=2 6068 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,2,0,0,0,0|0,0,0]=2 6069 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [0,2,0,0,0,0|1,0,1]=4 6070 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [0,2,0,0,0,0|1,0,1]=4 6071 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [0,2,0,0,0,0|1,0,1]=4 6072 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [0,2,0,0,0,0|1,0,1]=4 6073 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [0,2,0,0,0,0|1,0,1]=4 6074 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,2,0,0,0,0|0,0,2]=4 6075 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,2,0,0,0,0|0,0,2]=4 6076 B13R0.54 C=CCCCCCCOCCC(F)F 34a_100103093639_100011215473 [0,2,0,0,0,0|1,0,1]=4 6077 B13R0.54 C=CCCCCCCOCCN(C)C 7a_200011216477_100000755713 [0,2,0,0,0,0|2,0,0]=4 6078 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [0,2,0,0,0,0|1,0,1]=4 6079 B13R0.54 C=CCCCCCCOCOC(=O)C 34a_200011216477_100009813279 [0,2,0,0,0,0|1,0,0]=3 6080 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100000761012_100011215473 [0,2,0,0,0,0|1,0,1]=4 6081 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100011215473_100000761012 [0,2,0,0,0,0|1,0,1]=4 6082 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100000730704_100011215473 [0,2,0,0,0,0|1,0,0]=3 6083 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100011215473_100000730704 [0,2,0,0,0,0|1,0,0]=3 6084 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,2,0,0,0,0|0,0,0]=2 6085 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,2,0,0,0,0|0,0,0]=2 6086 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,2,0,0,0,0|0,0,0]=2 6087 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,2,0,0,0,0|0,0,0]=2 6088 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [0,2,0,0,0,0|1,0,1]=4 6089 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [0,2,0,0,0,0|1,0,1]=4 6090 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,2,0,0,0,0|0,0,2]=4 6091 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,2,0,0,0,0|0,0,2]=4 6092 B13R0.54 C=CCCCCCCSCCN(C)C 62a_100011215473_100000755713 [0,2,0,0,0,0|2,0,0]=4 6093 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100000076356_100011215473 [0,2,0,0,0,0|1,0,0]=3 6094 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100011215473_100000076356 [0,2,0,0,0,0|1,0,0]=3 6095 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,2,0,0,0,0|0,0,0]=2 6096 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [0,2,0,0,0,0|1,0,1]=4 6097 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [0,2,0,0,0,0|1,0,1]=4 6098 B13R0.54 C=CCCCCCNCCCS(=O)C 2230a_200000753449_100000700193 [0,2,0,0,0,0|1,0,0]=3 6099 B13R0.54 C=CCCCCCNCCNC(=O)C 2230a_100000209853_100000700193 [0,2,0,0,0,0|1,0,0]=3 6100 B13R0.54 C=CCCCCCNCCNC(=O)N 34a_100020590234_100000700193 [0,2,0,0,0,0|1,0,0]=3 6101 B13R0.54 C=CCCCCCOCCC=C(C)C 34a_100011216702_100011217483 [0,2,0,0,0,0|1,0,1]=4 6102 B13R0.54 C=CCCCCCOCCC=C(C)C 7a_100011216702_100011217483 [0,2,0,0,0,0|1,0,1]=4 6103 B13R0.54 C=CCCCCCOCCC=C(F)F 34a_100011216702_200009816681 [0,2,0,0,0,0|1,0,1]=4 6104 B13R0.54 C=CCCCCCOCCC=C(F)F 7a_100011216702_200009816681 [0,2,0,0,0,0|1,0,1]=4 6105 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,2,0,0,0,0|0,0,0]=2 6106 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,2,0,0,0,0|0,0,0]=2 6107 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,2,0,0,0,0|0,0,0]=2 6108 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,2,0,0,0,0|0,0,0]=2 6109 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,2,0,0,0,0|0,0,0]=2 6110 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,2,0,0,0,0|0,0,0]=2 6111 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [0,2,0,0,0,0|1,0,1]=4 6112 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [0,2,0,0,0,0|1,0,1]=4 6113 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [0,2,0,0,0,0|1,0,1]=4 6114 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [0,2,0,0,0,0|1,0,1]=4 6115 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,2,0,0,0,0|0,0,2]=4 6116 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,2,0,0,0,0|0,0,2]=4 6117 B13R0.54 C=CCCCCCOCCCN(C)C 7a_100011216702_100000757444 [0,2,0,0,0,0|2,0,0]=4 6118 B13R0.54 C=CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000700193 [0,2,0,0,0,0|1,0,0]=3 6119 B13R0.54 C=CCCCCCOCCNC(=O)C 34a_100000158858_100000700193 [0,2,0,0,0,0|1,0,0]=3 6120 B13R0.54 C=CCCCCCOCCNC(=O)C 7a_100011216702_100000189650 [0,2,0,0,0,0|1,0,0]=3 6121 B13R0.54 C=CCCCCCOCCNC(=O)N 34a_100000181757_100000700193 [0,2,0,0,0,0|1,0,0]=3 6122 B13R0.54 C=CCCCCCOCCNC(=O)N 7a_100011216702_200000034859 [0,2,0,0,0,0|1,0,0]=3 6123 B13R0.54 C=CCCCCCOCCOC(=O)C 34a_100011216702_100009814007 [0,2,0,0,0,0|1,0,0]=3 6124 B13R0.54 C=CCCCCCOCCOC(=O)C 7a_100011216702_100009814007 [0,2,0,0,0,0|1,0,0]=3 6125 B13R0.54 C=CCCCCCOCCOC(=O)N 34a_100011216702_200011214921 [0,2,0,0,0,0|1,0,0]=3 6126 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100000766696_100000700193 [0,2,0,0,0,0|1,0,0]=3 6127 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100011216702_200011214921 [0,2,0,0,0,0|1,0,0]=3 6128 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100000700193_100011217483 [0,2,0,0,0,0|1,0,1]=4 6129 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100011217483_100000700193 [0,2,0,0,0,0|1,0,1]=4 6130 B13R0.54 C=CCCCCCSCCC=C(F)F 62a_100000700193_200009816681 [0,2,0,0,0,0|1,0,1]=4 6131 B13R0.54 C=CCCCCCSCCC=C(F)F 62a_200009816681_100000700193 [0,2,0,0,0,0|1,0,1]=4 6132 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,2,0,0,0,0|0,0,0]=2 6133 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,2,0,0,0,0|0,0,0]=2 6134 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,2,0,0,0,0|0,0,0]=2 6135 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,2,0,0,0,0|0,0,0]=2 6136 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [0,2,0,0,0,0|1,0,1]=4 6137 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [0,2,0,0,0,0|1,0,1]=4 6138 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,2,0,0,0,0|0,0,2]=4 6139 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,2,0,0,0,0|0,0,2]=4 6140 B13R0.54 C=CCCCCCSCCCN(C)C 62a_100000700193_100000757444 [0,2,0,0,0,0|2,0,0]=4 6141 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000189650_100000700193 [0,2,0,0,0,0|1,0,0]=3 6142 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000700193_100000189650 [0,2,0,0,0,0|1,0,0]=3 6143 B13R0.54 C=CCCCCCSCCNC(=O)N 62a_100000700193_200000034859 [0,2,0,0,0,0|1,0,0]=3 6144 B13R0.54 C=CCCCCCSCCNC(=O)N 62a_200000034859_100000700193 [0,2,0,0,0,0|1,0,0]=3 6145 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100000700193_100009814007 [0,2,0,0,0,0|1,0,0]=3 6146 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100009814007_100000700193 [0,2,0,0,0,0|1,0,0]=3 6147 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_100000700193_200011214921 [0,2,0,0,0,0|1,0,0]=3 6148 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_200011214921_100000700193 [0,2,0,0,0,0|1,0,0]=3 6149 B13R0.54 C=CCCCCNCCCCB(O)O 2230a_100000703577_200009817182 [0,2,0,0,0,0|1,0,1]=4 6150 B13R0.54 C=CCCCCNCCCCB(O)O 34a_100000703577_200009817182 [0,2,0,0,0,0|1,0,1]=4 6151 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,2,0,0,0,0|0,0,0]=2 6152 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,2,0,0,0,0|0,0,0]=2 6153 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [0,2,0,0,0,0|1,0,1]=4 6154 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [0,2,0,0,0,0|1,0,1]=4 6155 B13R0.54 C=CCCCCNCCCNC(=O)C 34a_100000736810_100011215482 [0,2,0,0,0,0|1,0,0]=3 6156 B13R0.54 C=CCCCCNCCCOC(=O)C 34a_100000703577_100000042594 [0,2,0,0,0,0|1,0,0]=3 6157 B13R0.54 C=CCCCCNCCCOC(=S)C 2230a_100000703577_200135323944 [0,2,0,0,0,0|1,1,0]=4 6158 B13R0.54 C=CCCCCNCCCOC(=S)C 34a_100000703577_200135323944 [0,2,0,0,0,0|1,1,0]=4 6159 B13R0.54 C=CCCCCNCCCSC(=O)C 2230a_100000703577_100000038929 [0,2,0,0,0,0|1,0,0]=3 6160 B13R0.54 C=CCCCCNCCCSC(=O)C 34a_100000703577_100000038929 [0,2,0,0,0,0|1,0,0]=3 6161 B13R0.54 C=CCCCCNCCOCC(=O)N 2230a_100000703577_100000076697 [0,2,0,0,0,0|1,0,0]=3 6162 B13R0.54 C=CCCCCNCCOCC(=O)N 34a_100000703577_100000076697 [0,2,0,0,0,0|1,0,0]=3 6163 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [0,2,0,0,0,0|1,0,0]=3 6164 B13R0.54 C=CCCCCOCCCCB(O)O 34a_100000766645_200009817182 [0,2,0,0,0,0|1,0,1]=4 6165 B13R0.54 C=CCCCCOCCCCB(O)O 7a_100000766645_200009817182 [0,2,0,0,0,0|1,0,1]=4 6166 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,2,0,0,0,0|0,0,0]=2 6167 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,2,0,0,0,0|0,0,0]=2 6168 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,2,0,0,0,0|0,0,0]=2 6169 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,2,0,0,0,0|0,0,0]=2 6170 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [0,2,0,0,0,0|1,0,1]=4 6171 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [0,2,0,0,0,0|1,0,1]=4 6172 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [0,2,0,0,0,0|1,0,1]=4 6173 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [0,2,0,0,0,0|1,0,1]=4 6174 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215482 [0,2,0,0,0,0|1,0,0]=3 6175 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215482 [0,2,0,0,0,0|1,0,0]=3 6176 B13R0.54 C=CCCCCOCCCNC(=O)C 34a_100000752032_100011215482 [0,2,0,0,0,0|1,0,0]=3 6177 B13R0.54 C=CCCCCOCCCOC(=O)C 34a_100000766645_100000042594 [0,2,0,0,0,0|1,0,0]=3 6178 B13R0.54 C=CCCCCOCCCOC(=O)C 7a_100000766645_100000042594 [0,2,0,0,0,0|1,0,0]=3 6179 B13R0.54 C=CCCCCOCCCOC(=S)C 34a_100000766645_200135323944 [0,2,0,0,0,0|1,1,0]=4 6180 B13R0.54 C=CCCCCOCCCOC(=S)C 7a_100000766645_200135323944 [0,2,0,0,0,0|1,1,0]=4 6181 B13R0.54 C=CCCCCOCCCSC(=O)C 34a_100000766645_100000038929 [0,2,0,0,0,0|1,0,0]=3 6182 B13R0.54 C=CCCCCOCCCSC(=O)C 7a_100000766645_100000038929 [0,2,0,0,0,0|1,0,0]=3 6183 B13R0.54 C=CCCCCOCCOCC(=O)N 34a_100000766645_100000076697 [0,2,0,0,0,0|1,0,0]=3 6184 B13R0.54 C=CCCCCOCCOCC(=O)N 7a_100000766645_100000076697 [0,2,0,0,0,0|1,0,0]=3 6185 B13R0.54 C=CCCCCSCCCCB(O)O 62a_100011215482_200009817182 [0,2,0,0,0,0|1,0,1]=4 6186 B13R0.54 C=CCCCCSCCCCB(O)O 62a_200009817182_100011215482 [0,2,0,0,0,0|1,0,1]=4 6187 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,2,0,0,0,0|0,0,0]=2 6188 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,2,0,0,0,0|0,0,0]=2 6189 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [0,2,0,0,0,0|1,0,1]=4 6190 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [0,2,0,0,0,0|1,0,1]=4 6191 B13R0.54 C=CCCCCSCCCCN(C)C 62a_100011215482_100000690147 [0,2,0,0,0,0|2,0,0]=4 6192 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100000042594_100011215482 [0,2,0,0,0,0|1,0,0]=3 6193 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100011215482_100000042594 [0,2,0,0,0,0|1,0,0]=3 6194 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_100011215482_200135323944 [0,2,0,0,0,0|1,1,0]=4 6195 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_200135323944_100011215482 [0,2,0,0,0,0|1,1,0]=4 6196 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100000038929_100011215482 [0,2,0,0,0,0|1,0,0]=3 6197 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100011215482_100000038929 [0,2,0,0,0,0|1,0,0]=3 6198 B13R0.54 C=CCCCCSCCOCC(=O)N 62a_100000076697_100011215482 [0,2,0,0,0,0|1,0,0]=3 6199 B13R0.54 C=CCCCCSCCOCC(=O)N 62a_100011215482_100000076697 [0,2,0,0,0,0|1,0,0]=3 6200 B13R0.54 C=CCCCNCCCCCB(O)O 2230a_100000700776_200009817188 [0,2,0,0,0,0|1,0,1]=4 6201 B13R0.54 C=CCCCNCCCCCB(O)O 34a_100000700776_200009817188 [0,2,0,0,0,0|1,0,1]=4 6202 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,2,0,0,0,0|0,0,0]=2 6203 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,2,0,0,0,0|0,0,0]=2 6204 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [0,2,0,0,0,0|1,0,1]=4 6205 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [0,2,0,0,0,0|1,0,1]=4 6206 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [0,2,0,0,0,0|1,0,1]=4 6207 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [0,2,0,0,0,0|1,0,1]=4 6208 B13R0.54 C=CCCCNCCCCNC(=O)C 2230a_200011368371_100011713584 [0,2,0,0,0,0|1,0,0]=3 6209 B13R0.54 C=CCCCNCCCCNC(=O)C 34a_200011368371_100000757094 [0,2,0,0,0,0|1,0,0]=3 6210 B13R0.54 C=CCCCNCCCCOC(=O)C 34a_100000700776_100000033659 [0,2,0,0,0,0|1,0,0]=3 6211 B13R0.54 C=CCCCNCCCCO[N+](=O)[O-] 34a_100000700776_100015694321 [0,2,0,0,0,0|2,0,0]=4 6212 B13R0.54 C=CCCCNCCCCSC(=O)C 2230a_100000700776_200010402107 [0,2,0,0,0,0|1,0,0]=3 6213 B13R0.54 C=CCCCNCCCCSC(=O)C 34a_100000700776_200010402107 [0,2,0,0,0,0|1,0,0]=3 6214 B13R0.54 C=CCCCNCOCCOC(=O)C 34a_100000700776_100000076355 [0,2,0,0,0,0|2,0,0]=4 6215 B13R0.54 C=CCCCOCCCCCB(O)O 34a_100000758997_200009817188 [0,2,0,0,0,0|1,0,1]=4 6216 B13R0.54 C=CCCCOCCCCCB(O)O 7a_100000758997_200009817188 [0,2,0,0,0,0|1,0,1]=4 6217 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,2,0,0,0,0|0,0,0]=2 6218 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,2,0,0,0,0|0,0,0]=2 6219 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,2,0,0,0,0|0,0,0]=2 6220 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,2,0,0,0,0|0,0,0]=2 6221 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,2,0,0,0,0|0,0,0]=2 6222 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [0,2,0,0,0,0|1,0,1]=4 6223 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [0,2,0,0,0,0|1,0,1]=4 6224 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [0,2,0,0,0,0|1,0,1]=4 6225 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [0,2,0,0,0,0|1,0,1]=4 6226 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000073216_100000757094 [0,2,0,0,0,0|1,0,0]=3 6227 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000758997_100000033659 [0,2,0,0,0,0|1,0,0]=3 6228 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000073216_100000757094 [0,2,0,0,0,0|1,0,0]=3 6229 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000758997_100000033659 [0,2,0,0,0,0|1,0,0]=3 6230 B13R0.54 C=CCCCOCCCCO[N+](=O)[O-] 34a_100000758997_100015694321 [0,2,0,0,0,0|2,0,0]=4 6231 B13R0.54 C=CCCCOCCCCO[N+](=O)[O-] 7a_100000758997_100015694321 [0,2,0,0,0,0|2,0,0]=4 6232 B13R0.54 C=CCCCOCCCCSC(=O)C 34a_100000758997_200010402107 [0,2,0,0,0,0|1,0,0]=3 6233 B13R0.54 C=CCCCOCCCCSC(=O)C 7a_100000758997_200010402107 [0,2,0,0,0,0|1,0,0]=3 6234 B13R0.54 C=CCCCOCOCCOC(=O)C 34a_100000758997_100000076355 [0,2,0,0,0,0|2,0,0]=4 6235 B13R0.54 C=CCCCSCCCCCB(O)O 62a_100011713584_200009817188 [0,2,0,0,0,0|1,0,1]=4 6236 B13R0.54 C=CCCCSCCCCCB(O)O 62a_200009817188_100000757094 [0,2,0,0,0,0|1,0,1]=4 6237 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,2,0,0,0,0|0,0,0]=2 6238 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,2,0,0,0,0|0,0,0]=2 6239 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [0,2,0,0,0,0|1,0,1]=4 6240 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [0,2,0,0,0,0|1,0,1]=4 6241 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100000033659_100000757094 [0,2,0,0,0,0|1,0,0]=3 6242 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100011713584_100000033659 [0,2,0,0,0,0|1,0,0]=3 6243 B13R0.54 C=CCCCSCCCCO[N+](=O)[O-] 62a_100011713584_100015694321 [0,2,0,0,0,0|2,0,0]=4 6244 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_100011713584_200010402107 [0,2,0,0,0,0|1,0,0]=3 6245 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_200010402107_100000757094 [0,2,0,0,0,0|1,0,0]=3 6246 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100000076355_100000757094 [0,2,0,0,0,0|2,0,0]=4 6247 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100011713584_100000076355 [0,2,0,0,0,0|2,0,0]=4 6248 B13R0.54 C=CCCNCCCCCCB(O)O 2230a_100015191253_100009817187 [0,2,0,0,0,0|1,0,1]=4 6249 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [0,2,0,0,0,0|1,0,1]=4 6250 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [0,2,0,0,0,0|1,0,1]=4 6251 B13R0.54 C=CCCNCCCCCNC(=O)C 2230a_200012022750_100000754431 [0,2,0,0,0,0|1,0,0]=3 6252 B13R0.54 C=CCCNCCCCCNC(=O)C 34a_200012022750_100000754431 [0,2,0,0,0,0|1,0,0]=3 6253 B13R0.54 C=CCCNCCCCCOC(=O)C 2230a_100015191253_100009813381 [0,2,0,0,0,0|1,0,0]=3 6254 B13R0.54 C=CCCNCCOCCOC(=O)C 2230a_100015191253_200000083610 [0,2,0,0,0,0|2,0,0]=4 6255 B13R0.54 C=CCCOCCCCCCB(O)O 34a_100011205117_100009817187 [0,2,0,0,0,0|1,0,1]=4 6256 B13R0.54 C=CCCOCCCCCOC(=O)C 34a_100011205117_100000033007 [0,2,0,0,0,0|1,0,0]=3 6257 B13R0.54 C=CCCOCCOCCOC(=O)C 34a_100011205117_200000083610 [0,2,0,0,0,0|2,0,0]=4 6258 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100000754431_100009817187 [0,2,0,0,0,0|1,0,1]=4 6259 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100009817187_100000754431 [0,2,0,0,0,0|1,0,1]=4 6260 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000033007_100000754431 [0,2,0,0,0,0|1,0,0]=3 6261 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000754431_100000033007 [0,2,0,0,0,0|1,0,0]=3 6262 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_100000754431_200000083610 [0,2,0,0,0,0|2,0,0]=4 6263 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_200000083610_100000754431 [0,2,0,0,0,0|2,0,0]=4 6264 B13R0.54 C=CCNCCCCCCNC(=O)C 2230a_200011996284_100000210623 [0,2,0,0,0,0|1,0,0]=3 6265 B13R0.54 C=CCNCCCCCCNC(=O)C 34a_200011996284_100015514636 [0,2,0,0,0,0|1,0,0]=3 6266 B13R0.54 C=CCNCCOCCOCC(=O)O 269956a_100009854275_100000210623 [0,2,0,0,0,0|2,0,0]=4 6267 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [0,2,0,0,0,0|1,0,1]=4 6268 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [0,2,0,0,0,0|1,0,1]=4 6269 B13R0.54 C=CCOCCOCCCCC(=O)C 34a_100000037705_100009817362 [0,2,0,0,0,0|1,0,0]=3 6270 B13R0.54 C=CCOCCOCCCCC(=O)C 7a_100000037705_100000735457 [0,2,0,0,0,0|1,0,0]=3 6271 B13R0.54 C=CCOCCOCCCOC(=O)C 34a_100000037705_100000042594 [0,2,0,0,0,0|2,0,0]=4 6272 B13R0.54 C=CCOCCOCCCOC(=O)C 7a_100000037705_100000042594 [0,2,0,0,0,0|2,0,0]=4 6273 B13R0.54 C=CCOCCOCCCSC(=O)C 34a_100000037705_100000038929 [0,2,0,0,0,0|2,0,0]=4 6274 B13R0.54 C=CCOCCOCCCSC(=O)C 7a_100000037705_100000038929 [0,2,0,0,0,0|2,0,0]=4 6275 B13R0.54 C=CCOCCOCCOCC(=O)N 34a_100000037705_100000076697 [0,2,0,0,0,0|2,0,0]=4 6276 B13R0.54 C=CCOCCOCCOCC(=O)N 34a_100000065479_100000187820 [0,2,0,0,0,0|2,0,0]=4 6277 B13R0.54 C=CCOCCOCCOCC(=O)N 7a_100000037705_100000076697 [0,2,0,0,0,0|2,0,0]=4 6278 B13R0.54 C=CCOCCOCCOCC(=O)N 7a_100000065479_100000187820 [0,2,0,0,0,0|2,0,0]=4 6279 B13R0.54 C=CCOCCOCCOCC(=O)[O-] 34a_100000065479_100020667443 [0,2,0,0,0,0|2,0,0]=4 6280 B13R0.54 C=COCCCCOCCCC(=O)C 34a_100000031558_100000685027 [0,2,0,0,0,0|1,0,0]=3 6281 B13R0.54 C=COCCCCOCCCC(=O)C 7a_100000031558_100011215641 [0,2,0,0,0,0|1,0,0]=3 6282 B13R0.54 C=COCCCCOCCCC(=O)N 34a_100000031558_100102525003 [0,2,0,0,0,0|1,0,0]=3 6283 B13R0.54 C=COCCCCOCCCC(=O)N 7a_100000031558_100102525003 [0,2,0,0,0,0|1,0,0]=3 6284 B13R0.54 C=COCCCCOCCNC(=O)C 7a_100000031558_100000189650 [0,2,0,0,0,0|2,0,0]=4 6285 B13R0.54 C=COCCCCOCCNC(=O)N 7a_100000031558_200000034859 [0,2,0,0,0,0|2,0,0]=4 6286 B13R0.54 C=COCCCCOCCOC(=O)C 34a_100000031558_100009814007 [0,2,0,0,0,0|2,0,0]=4 6287 B13R0.54 C=COCCCCOCCOC(=O)C 7a_100000031558_100009814007 [0,2,0,0,0,0|2,0,0]=4 6288 B13R0.54 C=COCCCCOCCOC(=O)N 34a_100000031558_200011214921 [0,2,0,0,0,0|2,0,0]=4 6289 B13R0.54 C=COCCCCOCCOC(=O)N 7a_100000031558_200011214921 [0,2,0,0,0,0|2,0,0]=4 6290 B13R0.54 C=COCCCNCCCCC(=O)C 34a_100000210767_100009817362 [0,2,0,0,0,0|1,0,0]=3 6291 B13R0.54 C=COCCCNCCCOC(=O)C 34a_100000210767_100000042594 [0,2,0,0,0,0|2,0,0]=4 6292 B13R0.54 C=COCCCNCCCSC(=O)C 2230a_100000210767_100000038929 [0,2,0,0,0,0|2,0,0]=4 6293 B13R0.54 C=COCCCNCCCSC(=O)C 34a_100000210767_100000038929 [0,2,0,0,0,0|2,0,0]=4 6294 B13R0.54 C=COCCCNCCOCC(=O)N 2230a_100000210767_100000076697 [0,2,0,0,0,0|2,0,0]=4 6295 B13R0.54 C=COCCCNCCOCC(=O)N 34a_100000210767_100000076697 [0,2,0,0,0,0|2,0,0]=4 6296 B13R0.54 C=COCCNCCCCNC(=O)C 2230a_200011368371_100000039644 [0,2,0,0,0,0|2,0,0]=4 6297 B13R0.54 C=COCCNCCCCNC(=O)C 34a_200011368371_100000039644 [0,2,0,0,0,0|2,0,0]=4 6298 B13R0.54 C=COCCOCCCCCC(=O)N 34a_100000033082_100009817443 [0,2,0,0,0,0|1,0,0]=3 6299 B13R0.54 C=COCCOCCCCCC(=O)N 34a_100000123541_100000039644 [0,2,0,0,0,0|1,0,0]=3 6300 B13R0.54 C=COCCOCCCCCC(=O)N 7a_100000123541_100000039644 [0,2,0,0,0,0|1,0,0]=3 6301 B13R0.54 C=COCCOCCCCCC(=O)[O-] 7a_100102619762_100000039644 [0,2,0,0,0,0|1,0,0]=3 6302 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000033082_100000033659 [0,2,0,0,0,0|2,0,0]=4 6303 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000073216_100000039644 [0,2,0,0,0,0|2,0,0]=4 6304 B13R0.54 C=COCCOCCCCOC(=O)C 7a_100000073216_100000039644 [0,2,0,0,0,0|2,0,0]=4 6305 B13R0.54 C=COCCOCCCCSC(=O)C 34a_100000033082_200010402107 [0,2,0,0,0,0|2,0,0]=4 6306 B13R0.54 C=COCCOCCOCCC(=O)C 7a_100000039918_100000053229 [0,2,0,0,0,0|2,0,0]=4 6307 B13R0.54 C=COCCOCCOCCC(=O)N 34a_100000039918_100000731001 [0,2,0,0,0,0|2,0,0]=4 6308 B13R0.54 C=COCCOCCOCCC(=O)N 7a_100000039918_100000744528 [0,2,0,0,0,0|2,0,0]=4 6309 B13R0.54 C=COCCSCCCCCC(=O)N 62a_100000039644_100009817443 [0,2,0,0,0,0|1,0,0]=3 6310 B13R0.54 C=COCCSCCCCCC(=O)N 62a_100009817443_100000039644 [0,2,0,0,0,0|1,0,0]=3 6311 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000033659_100000039644 [0,2,0,0,0,0|2,0,0]=4 6312 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000039644_100000033659 [0,2,0,0,0,0|2,0,0]=4 6313 B13R0.54 C=COCCSCCCCSC(=O)C 62a_100000039644_200010402107 [0,2,0,0,0,0|2,0,0]=4 6314 B13R0.54 C=COCCSCCCCSC(=O)C 62a_200010402107_100000039644 [0,2,0,0,0,0|2,0,0]=4 6315 B13R0.54 CC(=CCCSCCCCCC=O)C 62a_100000139337_100011217483 [0,2,0,0,0,0|1,0,0]=3 6316 B13R0.54 CC(=CCCSCCCCCC=O)C 62a_100011217483_100000139337 [0,2,0,0,0,0|1,0,0]=3 6317 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|0,0,2]=4 6318 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,1]=4 6319 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,2,0,0,0,0|1,0,1]=4 6320 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,2,0,0,0,0|1,0,1]=4 6321 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,2,0,0,0,0|1,0,1]=4 6322 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,2,0,0,0,0|1,0,1]=4 6323 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,2,0,0,0,0|1,0,1]=4 6324 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,2,0,0,0,0|1,0,1]=4 6325 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,1]=4 6326 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,2,0,0,0,0|1,0,1]=4 6327 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,2,0,0,0,0|1,0,1]=4 6328 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,2,0,0,0,0|0,0,1]=3 6329 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,2,0,0,0,0|0,0,1]=3 6330 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,2,0,0,0,0|1,0,1]=4 6331 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,2,0,0,0,0|1,0,1]=4 6332 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,2,0,0,0,0|1,0,1]=4 6333 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,2,0,0,0,0|1,0,1]=4 6334 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,1]=4 6335 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,2,0,0,0,0|1,0,1]=4 6336 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,2,0,0,0,0|0,0,1]=3 6337 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,2,0,0,0,0|1,0,1]=4 6338 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,2,0,0,0,0|1,0,1]=4 6339 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,2,0,0,0,0|1,0,1]=4 6340 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,2,0,0,0,0|1,0,1]=4 6341 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,2,0,0,0,0|1,0,1]=4 6342 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,2,0,0,0,0|1,0,1]=4 6343 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,2,0,0,0,0|1,0,1]=4 6344 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,2,0,0,0,0|1,0,1]=4 6345 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,1]=4 6346 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,2,0,0,0,0|1,0,1]=4 6347 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,2,0,0,0,0|1,0,1]=4 6348 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,2,0,0,0,0|1,0,1]=4 6349 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,2,0,0,0,0|1,0,1]=4 6350 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,2,0,0,0,0|0,0,1]=3 6351 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,2,0,0,0,0|0,0,1]=3 6352 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,2,0,0,0,0|1,0,1]=4 6353 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,2,0,0,0,0|1,0,1]=4 6354 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,2,0,0,0,0|1,0,1]=4 6355 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,2,0,0,0,0|1,0,1]=4 6356 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,2,0,0,0,0|1,0,1]=4 6357 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,2,0,0,0,0|1,0,1]=4 6358 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,2,0,0,0,0|1,0,1]=4 6359 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,2,0,0,0,0|1,0,1]=4 6360 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,2,0,0,0,0|1,0,1]=4 6361 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,2,0,0,0,0|1,0,1]=4 6362 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,2,0,0,0,0|1,0,1]=4 6363 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,2,0,0,0,0|1,0,1]=4 6364 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,2,0,0,0,0|1,0,1]=4 6365 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,2,0,0,0,0|1,0,1]=4 6366 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,2,0,0,0,0|1,0,1]=4 6367 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,2,0,0,0,0|1,0,1]=4 6368 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,2,0,0,0,0|1,0,1]=4 6369 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,2,0,0,0,0|1,0,1]=4 6370 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,2,0,0,0,0|1,0,1]=4 6371 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,2,0,0,0,0|1,0,1]=4 6372 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,2,0,0,0,0|1,0,1]=4 6373 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,2,0,0,0,0|1,0,1]=4 6374 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,2,0,0,0,0|1,0,1]=4 6375 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,2,0,0,0,0|1,0,1]=4 6376 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,2,0,0,0,0|1,0,1]=4 6377 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,2,0,0,0,0|1,0,1]=4 6378 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,2,0,0,0,0|1,0,1]=4 6379 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,2,0,0,0,0|1,0,1]=4 6380 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,2,0,0,0,0|1,0,1]=4 6381 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,2,0,0,0,0|1,0,1]=4 6382 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,2,0,0,0,0|1,0,1]=4 6383 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_100000139335_200135323944 [0,2,0,0,0,0|1,0,1]=4 6384 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_200135323944_100000139335 [0,2,0,0,0,0|1,0,1]=4 6385 B13R0.54 CC(C)CCCCCCCOCC=O 34a_200000210741_200009817547 [0,2,0,0,0,0|0,0,2]=4 6386 B13R0.54 CC(C)CCCCCCCOCC=O 7a_200000210741_200015260668 [0,2,0,0,0,0|0,0,2]=4 6387 B13R0.54 CC(C)CCCCCNCCCC=O 2230a_100011290863_200011292268 [0,2,0,0,0,0|0,0,2]=4 6388 B13R0.54 CC(C)CCCCCOCCCC=O 7a_100011995859_200011292268 [0,2,0,0,0,0|0,0,2]=4 6389 B13R0.54 CC(C)CCCCCSCCCC=O 62a_100000210682_200011292268 [0,2,0,0,0,0|0,0,2]=4 6390 B13R0.54 CC(C)CCCCCSCCCC=O 62a_200011292268_100000210682 [0,2,0,0,0,0|0,0,2]=4 6391 B13R0.54 CC(C)CCCCOCCCCC=O 7a_100011214890_100000139335 [0,2,0,0,0,0|0,0,2]=4 6392 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100000139335_100011216152 [0,2,0,0,0,0|0,0,2]=4 6393 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100011216152_100000139335 [0,2,0,0,0,0|0,0,2]=4 6394 B13R0.54 CC(C)CCCNCCCCCC=O 2230a_200000737386_100000139337 [0,2,0,0,0,0|0,0,2]=4 6395 B13R0.54 CC(C)CCCOCCCCCC=O 7a_100000210774_100000139337 [0,2,0,0,0,0|0,0,2]=4 6396 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100000139337_100011214892 [0,2,0,0,0,0|0,0,2]=4 6397 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100011214892_100000139337 [0,2,0,0,0,0|0,0,2]=4 6398 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [0,2,0,0,0,0|0,0,2]=4 6399 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [0,2,0,0,0,0|0,0,2]=4 6400 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,2,0,0,0,0|1,0,0]=3 6401 B13R0.54 CC=CCCCOCCCOC(=O)C 34a_100020645299_100000042594 [0,2,0,0,0,0|2,0,0]=4 6402 B13R0.54 CC=CCCCOCCCSC(=O)C 34a_100020645299_100000038929 [0,2,0,0,0,0|2,0,0]=4 6403 B13R0.54 CC=CCCCOCCOCC(=O)N 34a_100020645299_100000076697 [0,2,0,0,0,0|2,0,0]=4 6404 B13R0.54 CC=CCNCCCCCNC(=O)C 2230a_200012022750_100000070051 [0,2,0,0,0,0|2,0,0]=4 6405 B13R0.54 CC=CCNCCCCCNC(=O)C 34a_200012022750_100000070051 [0,2,0,0,0,0|2,0,0]=4 6406 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000033007_100000070051 [0,2,0,0,0,0|2,0,0]=4 6407 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000070051_100000033007 [0,2,0,0,0,0|2,0,0]=4 6408 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,2,0,0,0,0|0,0,2]=4 6409 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,2,0,0,0,0|0,0,2]=4 6410 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,2,0,0,0,0|0,0,2]=4 6411 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,2,0,0,0,0|0,0,2]=4 6412 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,2,0,0,0,0|0,0,2]=4 6413 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,2,0,0,0,0|0,0,2]=4 6414 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,2,0,0,0,0|0,0,2]=4 6415 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,2,0,0,0,0|0,0,2]=4 6416 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,2,0,0,0,0|0,0,2]=4 6417 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,2,0,0,0,0|0,0,2]=4 6418 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|0,0,2]=4 6419 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,2,0,0,0,0|0,0,2]=4 6420 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,2,0,0,0,0|0,0,2]=4 6421 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,2,0,0,0,0|0,0,2]=4 6422 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,2,0,0,0,0|0,0,2]=4 6423 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,2,0,0,0,0|0,0,2]=4 6424 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,2,0,0,0,0|0,0,2]=4 6425 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,2,0,0,0,0|0,0,2]=4 6426 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,2,0,0,0,0|0,0,2]=4 6427 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,2,0,0,0,0|0,0,2]=4 6428 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,2,0,0,0,0|0,0,2]=4 6429 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,2,0,0,0,0|0,0,2]=4 6430 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,2,0,0,0,0|0,0,2]=4 6431 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,2,0,0,0,0|0,0,2]=4 6432 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,2,0,0,0,0|0,0,2]=4 6433 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,2,0,0,0,0|0,0,2]=4 6434 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,2,0,0,0,0|0,0,2]=4 6435 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,2,0,0,0,0|0,0,2]=4 6436 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,2,0,0,0,0|0,0,2]=4 6437 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,2,0,0,0,0|0,0,2]=4 6438 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,2,0,0,0,0|0,0,2]=4 6439 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,2,0,0,0,0|0,0,2]=4 6440 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,2,0,0,0,0|0,0,2]=4 6441 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,2,0,0,0,0|0,0,2]=4 6442 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,2,0,0,0,0|0,0,2]=4 6443 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,2,0,0,0,0|0,0,2]=4 6444 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,2,0,0,0,0|0,0,2]=4 6445 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,2,0,0,0,0|0,0,2]=4 6446 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,2,0,0,0,0|0,0,2]=4 6447 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,2,0,0,0,0|0,0,2]=4 6448 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,2,0,0,0,0|0,0,2]=4 6449 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,2,0,0,0,0|0,0,2]=4 6450 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,2,0,0,0,0|0,0,2]=4 6451 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,2,0,0,0,0|0,0,2]=4 6452 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,2,0,0,0,0|0,0,2]=4 6453 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,2,0,0,0,0|0,0,2]=4 6454 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,2,0,0,0,0|0,0,2]=4 6455 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,2,0,0,0,0|0,0,2]=4 6456 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,2,0,0,0,0|0,0,2]=4 6457 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,2,0,0,0,0|0,0,2]=4 6458 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,2,0,0,0,0|0,0,2]=4 6459 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,2,0,0,0,0|0,0,2]=4 6460 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,2,0,0,0,0|0,0,2]=4 6461 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,2,0,0,0,0|0,0,2]=4 6462 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,2,0,0,0,0|0,0,2]=4 6463 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,2,0,0,0,0|0,0,2]=4 6464 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,2,0,0,0,0|0,0,2]=4 6465 B13R0.54 CN(C)CCCCSCCCCC=O 62a_100000139335_100000690147 [0,2,0,0,0,0|1,0,1]=4 6466 B13R0.54 CN(C)CCCSCCCCCC=O 62a_100000139337_100000757444 [0,2,0,0,0,0|1,0,1]=4 6467 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,2,0,0,0,0|1,0,1]=4 6468 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,2,0,0,0,0|1,0,1]=4 6469 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,2,0,0,0,0|1,0,1]=4 6470 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|1,0,1]=4 6471 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|1,0,1]=4 6472 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|1,0,1]=4 6473 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,2,0,0,0,0|1,0,1]=4 6474 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,2,0,0,0,0|1,0,1]=4 6475 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,2,0,0,0,0|1,0,1]=4 6476 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,2,0,0,0,0|1,0,1]=4 6477 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,2,0,0,0,0|1,0,1]=4 6478 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,2,0,0,0,0|1,0,1]=4 6479 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,2,0,0,0,0|1,0,1]=4 6480 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,2,0,0,0,0|1,0,1]=4 6481 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,2,0,0,0,0|1,0,1]=4 6482 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,2,0,0,0,0|1,0,1]=4 6483 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,2,0,0,0,0|1,0,1]=4 6484 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,2,0,0,0,0|1,0,1]=4 6485 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,2,0,0,0,0|1,0,1]=4 6486 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,2,0,0,0,0|1,0,1]=4 6487 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,2,0,0,0,0|1,0,1]=4 6488 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,2,0,0,0,0|1,0,1]=4 6489 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,2,0,0,0,0|1,0,1]=4 6490 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,2,0,0,0,0|1,0,1]=4 6491 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,2,0,0,0,0|1,0,1]=4 6492 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,2,0,0,0,0|1,0,1]=4 6493 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,2,0,0,0,0|1,0,1]=4 6494 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,2,0,0,0,0|1,0,1]=4 6495 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,2,0,0,0,0|1,0,1]=4 6496 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [0,2,0,0,0,0|1,0,1]=4 6497 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,2,0,0,0,0|1,0,1]=4 6498 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,2,0,0,0,0|1,0,1]=4 6499 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,2,0,0,0,0|1,0,1]=4 6500 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,2,0,0,0,0|1,0,1]=4 6501 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,2,0,0,0,0|1,0,1]=4 6502 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,2,0,0,0,0|1,0,1]=4 6503 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,2,0,0,0,0|1,0,1]=4 6504 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,2,0,0,0,0|1,0,1]=4 6505 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,2,0,0,0,0|1,0,1]=4 6506 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,2,0,0,0,0|1,0,1]=4 6507 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,2,0,0,0,0|1,0,1]=4 6508 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,2,0,0,0,0|1,0,1]=4 6509 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,2,0,0,0,0|1,0,1]=4 6510 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,2,0,0,0,0|1,0,1]=4 6511 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,2,0,0,0,0|1,0,1]=4 6512 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,2,0,0,0,0|1,0,1]=4 6513 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,1]=4 6514 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,2,0,0,0,0|1,0,0]=3 6515 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,2,0,0,0,0|1,0,1]=4 6516 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,2,0,0,0,0|1,0,1]=4 6517 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,2,0,0,0,0|1,0,1]=4 6518 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,2,0,0,0,0|1,0,1]=4 6519 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,2,0,0,0,0|1,0,1]=4 6520 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,2,0,0,0,0|1,0,1]=4 6521 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,2,0,0,0,0|1,0,1]=4 6522 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,2,0,0,0,0|1,0,1]=4 6523 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,2,0,0,0,0|1,0,1]=4 6524 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,2,0,0,0,0|1,0,1]=4 6525 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,2,0,0,0,0|1,0,0]=3 6526 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,2,0,0,0,0|1,0,0]=3 6527 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,2,0,0,0,0|1,0,1]=4 6528 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,2,0,0,0,0|1,0,1]=4 6529 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,2,0,0,0,0|1,0,1]=4 6530 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,2,0,0,0,0|1,0,1]=4 6531 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,2,0,0,0,0|1,0,1]=4 6532 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,2,0,0,0,0|1,0,1]=4 6533 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,2,0,0,0,0|1,0,0]=3 6534 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,2,0,0,0,0|1,0,1]=4 6535 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,2,0,0,0,0|1,0,1]=4 6536 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,2,0,0,0,0|1,0,1]=4 6537 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,2,0,0,0,0|1,0,1]=4 6538 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,2,0,0,0,0|1,0,1]=4 6539 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,1]=4 6540 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,2,0,0,0,0|1,0,1]=4 6541 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,2,0,0,0,0|1,0,1]=4 6542 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,2,0,0,0,0|1,0,1]=4 6543 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,2,0,0,0,0|1,0,1]=4 6544 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,2,0,0,0,0|1,0,1]=4 6545 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,2,0,0,0,0|1,0,1]=4 6546 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,2,0,0,0,0|1,0,1]=4 6547 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,2,0,0,0,0|1,0,0]=3 6548 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,2,0,0,0,0|1,0,0]=3 6549 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,2,0,0,0,0|1,0,1]=4 6550 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,2,0,0,0,0|1,0,1]=4 6551 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,2,0,0,0,0|1,0,1]=4 6552 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,2,0,0,0,0|1,0,1]=4 6553 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,2,0,0,0,0|1,0,1]=4 6554 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,1]=4 6555 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,2,0,0,0,0|1,0,1]=4 6556 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,2,0,0,0,0|1,0,1]=4 6557 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,2,0,0,0,0|1,0,1]=4 6558 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,2,0,0,0,0|1,0,1]=4 6559 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,2,0,0,0,0|1,0,1]=4 6560 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,2,0,0,0,0|1,0,1]=4 6561 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,2,0,0,0,0|1,0,1]=4 6562 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,2,0,0,0,0|1,0,1]=4 6563 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,1]=4 6564 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,2,0,0,0,0|1,0,1]=4 6565 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,2,0,0,0,0|1,0,1]=4 6566 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,2,0,0,0,0|1,0,1]=4 6567 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,2,0,0,0,0|1,0,1]=4 6568 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000076697_100000139335 [0,2,0,0,0,0|2,0,0]=4 6569 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000139335_100000076697 [0,2,0,0,0,0|2,0,0]=4 6570 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,2,0,0,0,0|1,0,1]=4 6571 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,2,0,0,0,0|1,0,1]=4 6572 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_100000139337_200000034859 [0,2,0,0,0,0|2,0,0]=4 6573 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_200000034859_100000139337 [0,2,0,0,0,0|2,0,0]=4 6574 B13R0.54 NC(=O)OCCOCCCCCC=O 7a_100000766696_100000139337 [0,2,0,0,0,0|2,0,0]=4 6575 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_100000139337_200011214921 [0,2,0,0,0,0|2,0,0]=4 6576 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_200011214921_100000139337 [0,2,0,0,0,0|2,0,0]=4 6577 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,1]=4 6578 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,1]=4 6579 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,1]=4 6580 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,1]=4 6581 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,1]=4 6582 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|1,0,1]=4 6583 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,2,0,0,0,0|1,0,1]=4 6584 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,2,0,0,0,0|1,0,1]=4 6585 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,1]=4 6586 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,2,0,0,0,0|1,0,1]=4 6587 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,2,0,0,0,0|1,0,1]=4 6588 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,2,0,0,0,0|1,0,1]=4 6589 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,2,0,0,0,0|1,0,1]=4 6590 B13R0.54 O=CCCCCCSCCC=C(F)F 62a_100000139337_200009816681 [0,2,0,0,0,0|1,0,0]=3 6591 B13R0.54 O=CCCCCCSCCC=C(F)F 62a_200009816681_100000139337 [0,2,0,0,0,0|1,0,0]=3 6592 B13R0.54 O=CCCCCNCCOCC(=O)O 269956a_100000700818_100000139335 [0,2,0,0,0,0|2,0,0]=4 6593 B13R0.54 O=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000139335 [0,2,0,0,0,0|2,0,0]=4 6594 B13R0.54 O=CCCCCSCCCCB(O)O 62a_100000139335_200009817182 [0,2,0,0,0,0|2,0,0]=4 6595 B13R0.54 O=CCCCCSCCCCB(O)O 62a_200009817182_100000139335 [0,2,0,0,0,0|2,0,0]=4 6596 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,2,0,0,0,0|1,0,0]=3 6597 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200009817188_200011292268 [0,2,0,0,0,0|2,0,0]=4 6598 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200011292268_200009817188 [0,2,0,0,0,0|2,0,0]=4 6599 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,2,0,0,0,0|0,0,0]=2 6600 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|0,0,2]=4 6601 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|1,0,1]=4 6602 B13R0.147 C#CC(C)NCCCCCCCC=C 2230a_100000707721_100012355270 [0,2,0,0,0,0|1,0,1]=4 6603 B13R0.147 C#CC(C)NCCCCCCCC=C 34a_100000707721_100012355270 [0,2,0,0,0,0|1,0,1]=4 6604 B13R0.147 C#CC(C)OCCCCCCCC=C 34a_100000730831_200000035995 [0,2,0,0,0,0|1,0,1]=4 6605 B13R0.147 C#CC(C)SCCCCCCCC=C 62a_200000035995_100012355270 [0,2,0,0,0,0|1,0,1]=4 6606 B13R0.147 C#CC(O)CCCCCNCCC=C 2230a_100015191253_200010408556 [0,2,0,0,0,0|1,0,1]=4 6607 B13R0.147 C#CC(O)CCCCCOCCC=C 34a_100011205117_200010408556 [0,2,0,0,0,0|1,0,1]=4 6608 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_100000754431_200010408556 [0,2,0,0,0,0|1,0,1]=4 6609 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_200010408556_100000754431 [0,2,0,0,0,0|1,0,1]=4 6610 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,2,0,0,0,0|0,0,2]=4 6611 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,2,0,0,0,0|0,0,2]=4 6612 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,2,0,0,0,0|0,0,2]=4 6613 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,2,0,0,0,0|0,0,2]=4 6614 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,2,0,0,0,0|0,0,2]=4 6615 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,2,0,0,0,0|0,0,2]=4 6616 B13R0.147 C#CCCCCCCCOC(C)C=C 34a_100000695699_100153394163 [0,2,0,0,0,0|1,0,1]=4 6617 B13R0.147 C#CCCCCCCCSC(C)C=C 62a_100011215867_100153394163 [0,2,0,0,0,0|1,0,1]=4 6618 B13R0.147 C#CCCCCCCOCC(C)C=C 34a_100011215527_100012276617 [0,2,0,0,0,0|1,0,1]=4 6619 B13R0.147 C#CCCCCCCOCC(C)C=C 7a_100011215527_100012276617 [0,2,0,0,0,0|1,0,1]=4 6620 B13R0.147 C#CCCCCCCOCC(O)C=C 34a_100011217361_100000730141 [0,2,0,0,0,0|1,0,1]=4 6621 B13R0.147 C#CCCCCCCOCC(O)C=C 7a_100011217361_100000730141 [0,2,0,0,0,0|1,0,1]=4 6622 B13R0.147 C#CCCCCCCOC[C@@H](N)C=C 34a_100016989147_100012276617 [0,2,0,0,0,0|1,0,1]=4 6623 B13R0.147 C#CCCCCCCSCC(O)C=C 62a_100000730141_100012276617 [0,2,0,0,0,0|1,0,1]=4 6624 B13R0.147 C#CCCCCCCSCC(O)C=C 62a_100012276617_100000730141 [0,2,0,0,0,0|1,0,1]=4 6625 B13R0.147 C#C[C@@H](C)OCCCCCCCC=C 34a_100009815206_100012355270 [0,2,0,0,0,0|1,0,1]=4 6626 B13R0.147 C#C[C@@H](C)OCCCCCCCC=C 7a_100009815206_100012355270 [0,2,0,0,0,0|1,0,1]=4 6627 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|0,0,2]=4 6628 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|0,0,2]=4 6629 B13R0.147 C=CC(=O)NCCNCCCCC=O 2230a_114873766552_100000139335 [0,2,0,0,0,0|1,0,1]=4 6630 B13R0.147 C=CC(=O)OCCCCCOCC=O 7a_200011023508_200015260668 [0,2,0,0,0,0|1,0,1]=4 6631 B13R0.147 C=CC(=O)OCCSCCCCC=O 62a_100000139335_100009813456 [0,2,0,0,0,0|1,0,1]=4 6632 B13R0.147 C=CC(=O)OCCSCCCCC=O 62a_100009813456_100000139335 [0,2,0,0,0,0|1,0,1]=4 6633 B13R0.147 C=CC(C)COCCCCCCC#N 7a_100011215527_100009813337 [0,2,0,0,0,0|1,0,1]=4 6634 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 6635 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 6636 B13R0.147 C=CC(C)COCCCCCCCO 34a_100011215527_100000760002 [0,2,0,0,0,0|0,0,2]=4 6637 B13R0.147 C=CC(C)COCCCCCCCO 7a_100011215527_100000760002 [0,2,0,0,0,0|0,0,2]=4 6638 B13R0.147 C=CC(C)COCCCCCCOC 34a_100011215527_100011998445 [0,2,0,0,0,0|2,0,0]=4 6639 B13R0.147 C=CC(C)COCCCCCCOC 7a_100011215527_100011998445 [0,2,0,0,0,0|2,0,0]=4 6640 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,2,0,0,0,0|1,0,1]=4 6641 B13R0.147 C=CC(C)OCCCCCCCCO 34a_100000695699_100000033203 [0,2,0,0,0,0|0,0,2]=4 6642 B13R0.147 C=CC(C)SCCCCCCCCC 62a_100011215867_100000210670 [0,2,0,0,0,0|1,0,1]=4 6643 B13R0.147 C=CC(C)SCCCCCCCCO 62a_100011215867_100000033203 [0,2,0,0,0,0|0,0,2]=4 6644 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,2,0,0,0,0|1,0,1]=4 6645 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,2,0,0,0,0|1,0,1]=4 6646 B13R0.147 C=CC(O)CNCCCCCCCO 2230a_100011996573_100000730141 [0,2,0,0,0,0|0,0,2]=4 6647 B13R0.147 C=CC(O)CNCCCCCCCO 34a_100011996573_100000730141 [0,2,0,0,0,0|0,0,2]=4 6648 B13R0.147 C=CC(O)COCCCCCCCBr 34a_100000760002_100000730141 [0,2,0,0,0,0|1,0,1]=4 6649 B13R0.147 C=CC(O)COCCCCCCCBr 7a_100000760002_100000730141 [0,2,0,0,0,0|1,0,1]=4 6650 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,2,0,0,0,0|1,0,1]=4 6651 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,2,0,0,0,0|1,0,1]=4 6652 B13R0.147 C=CC(O)COCCCCCCCN 34a_100011996573_100000730141 [0,2,0,0,0,0|1,0,1]=4 6653 B13R0.147 C=CC(O)COCCCCCCOC 34a_200012092642_100000730141 [0,2,0,0,0,0|2,0,0]=4 6654 B13R0.147 C=CC(O)COCCCCCCOC 7a_200012092642_100000730141 [0,2,0,0,0,0|2,0,0]=4 6655 B13R0.147 C=CC(O)CSCCCCCCC#N 62a_100000730141_100009813337 [0,2,0,0,0,0|1,0,1]=4 6656 B13R0.147 C=CC(O)CSCCCCCCC#N 62a_100009813337_100000730141 [0,2,0,0,0,0|1,0,1]=4 6657 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,2,0,0,0,0|1,0,1]=4 6658 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,2,0,0,0,0|1,0,1]=4 6659 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000730141_100000760002 [0,2,0,0,0,0|0,0,2]=4 6660 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000760002_100000730141 [0,2,0,0,0,0|0,0,2]=4 6661 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100000730141_100011998445 [0,2,0,0,0,0|2,0,0]=4 6662 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100011998445_100000730141 [0,2,0,0,0,0|2,0,0]=4 6663 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,2,0,0,0,0|0,0,0]=2 6664 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|0,0,0]=2 6665 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|0,0,0]=2 6666 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|0,0,0]=2 6667 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,0]=2 6668 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|0,0,0]=2 6669 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|0,0,0]=2 6670 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|0,0,0]=2 6671 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|0,0,0]=2 6672 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,2,0,0,0,0|1,0,1]=4 6673 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,2,0,0,0,0|1,0,1]=4 6674 B13R0.147 C=CCCCCCCCNC(C)C#N 2230a_100000737613_100012355270 [0,2,0,0,0,0|1,0,1]=4 6675 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [0,2,0,0,0,0|1,0,1]=4 6676 B13R0.147 C=CCCCCCCCN[C@H](C)CO 2230a_100000737577_100012355270 [0,2,0,0,0,0|0,0,2]=4 6677 B13R0.147 C=CCCCCCCCOC(C)C#N 34a_100011218135_100012355270 [0,2,0,0,0,0|1,0,1]=4 6678 B13R0.147 C=CCCCCCCCOC(C)C#N 7a_100000730831_100000703298 [0,2,0,0,0,0|1,0,1]=4 6679 B13R0.147 C=CCCCCCCCOC(C)C=C 34a_100000695699_100012355270 [0,2,0,0,0,0|1,0,0]=3 6680 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [0,2,0,0,0,0|1,0,1]=4 6681 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [0,2,0,0,0,0|1,0,1]=4 6682 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [0,2,0,0,0,0|1,0,1]=4 6683 B13R0.147 C=CCCCCCCCOC(C)CF 34a_100016041109_100012355270 [0,2,0,0,0,0|1,0,1]=4 6684 B13R0.147 C=CCCCCCCCOC(C)CF 7a_100016041109_100012355270 [0,2,0,0,0,0|1,0,1]=4 6685 B13R0.147 C=CCCCCCCCOC(C)CN 34a_100000210904_100012355270 [0,2,0,0,0,0|1,0,1]=4 6686 B13R0.147 C=CCCCCCCCOC(C)CO 34a_100000730831_100012180447 [0,2,0,0,0,0|0,0,2]=4 6687 B13R0.147 C=CCCCCCCCOC(C)CO 7a_100000730831_100012180447 [0,2,0,0,0,0|0,0,2]=4 6688 B13R0.147 C=CCCCCCCCSC(C)C#N 62a_100000703298_100012355270 [0,2,0,0,0,0|1,0,1]=4 6689 B13R0.147 C=CCCCCCCCSC(C)C#N 62a_100012355270_100000703298 [0,2,0,0,0,0|1,0,1]=4 6690 B13R0.147 C=CCCCCCCCSC(C)C=C 62a_100011215867_100012355270 [0,2,0,0,0,0|1,0,0]=3 6691 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100000758301_100012355270 [0,2,0,0,0,0|1,0,1]=4 6692 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100012355270_100000758301 [0,2,0,0,0,0|1,0,1]=4 6693 B13R0.147 C=CCCCCCCCSC(C)CO 62a_100012180447_100012355270 [0,2,0,0,0,0|0,0,2]=4 6694 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100009879195_100012355270 [0,2,0,0,0,0|2,0,0]=4 6695 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100012355270_100009879195 [0,2,0,0,0,0|2,0,0]=4 6696 B13R0.147 C=CCCCCCCCSC(F)C#N 62a_100012355270_200000117898 [0,2,0,0,0,0|1,0,1]=4 6697 B13R0.147 C=CCCCCCCCSC(F)C#N 62a_200000117898_100012355270 [0,2,0,0,0,0|1,0,1]=4 6698 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100012355270_100016084084 [0,2,0,0,0,0|0,0,2]=4 6699 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100016084084_100012355270 [0,2,0,0,0,0|0,0,2]=4 6700 B13R0.147 C=CCCCCCCNCC(=O)NC 2230a_100000693194_100011215473 [0,2,0,0,0,0|1,0,0]=3 6701 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [0,2,0,0,0,0|1,0,1]=4 6702 B13R0.147 C=CCCCCCCNCC(C)CO 34a_100000744482_100011215473 [0,2,0,0,0,0|0,0,2]=4 6703 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,2,0,0,0,0|1,0,1]=4 6704 B13R0.147 C=CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215473 [0,2,0,0,0,0|2,0,0]=4 6705 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215473 [0,2,0,0,0,0|0,0,2]=4 6706 B13R0.147 C=CCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215473 [0,2,0,0,0,0|0,0,2]=4 6707 B13R0.147 C=CCCCCCCOCC(=C)C#N 34a_200011216477_100000694840 [0,2,0,0,0,0|2,0,0]=4 6708 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,2,0,0,0,0|1,0,0]=3 6709 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,2,0,0,0,0|1,0,0]=3 6710 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_100000750040_100011215473 [0,2,0,0,0,0|1,0,0]=3 6711 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_200011216477_100000183359 [0,2,0,0,0,0|1,0,0]=3 6712 B13R0.147 C=CCCCCCCOCC(=O)NC 7a_200011216477_100000183359 [0,2,0,0,0,0|1,0,0]=3 6713 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|1,0,0]=3 6714 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|1,0,0]=3 6715 B13R0.147 C=CCCCCCCOCC(C)C=C 34a_100011215527_100011215473 [0,2,0,0,0,0|1,0,0]=3 6716 B13R0.147 C=CCCCCCCOCC(C)C=C 7a_100011215527_100011215473 [0,2,0,0,0,0|1,0,0]=3 6717 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [0,2,0,0,0,0|1,0,1]=4 6718 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [0,2,0,0,0,0|1,0,1]=4 6719 B13R0.147 C=CCCCCCCOCC(C)CN 34a_100000744482_100011215473 [0,2,0,0,0,0|1,0,1]=4 6720 B13R0.147 C=CCCCCCCOCC(C)OC 34a_100000690652_100011215473 [0,2,0,0,0,0|2,0,0]=4 6721 B13R0.147 C=CCCCCCCOCC(Cl)CCl 34a_100000033668_100011215473 [0,2,0,0,0,0|1,0,1]=4 6722 B13R0.147 C=CCCCCCCOCC(O)C=C 34a_200011216477_100000730141 [0,2,0,0,0,0|1,0,0]=3 6723 B13R0.147 C=CCCCCCCOCC(O)C=C 7a_200011216477_100000730141 [0,2,0,0,0,0|1,0,0]=3 6724 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,2,0,0,0,0|1,0,1]=4 6725 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,2,0,0,0,0|1,0,1]=4 6726 B13R0.147 C=CCCCCCCOCC(O)CO 34a_200011216477_100011219619 [0,2,0,0,0,0|0,0,2]=4 6727 B13R0.147 C=CCCCCCCOCC(O)CO 7a_200011216477_100011219619 [0,2,0,0,0,0|0,0,2]=4 6728 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [0,2,0,0,0,0|1,0,1]=4 6729 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [0,2,0,0,0,0|1,0,1]=4 6730 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [0,2,0,0,0,0|1,0,1]=4 6731 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 34a_200011216477_100000059175 [0,2,0,0,0,0|0,0,2]=4 6732 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 7a_200011216477_100000059175 [0,2,0,0,0,0|0,0,2]=4 6733 B13R0.147 C=CCCCCCCOC[C@@H](N)C=C 34a_100016989147_100011215473 [0,2,0,0,0,0|1,0,0]=3 6734 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 34a_200011216477_100015614560 [0,2,0,0,0,0|1,0,1]=4 6735 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 7a_200011216477_100015614560 [0,2,0,0,0,0|1,0,1]=4 6736 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 34a_200011216477_100009815848 [0,2,0,0,0,0|0,0,2]=4 6737 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 7a_200011216477_100009815848 [0,2,0,0,0,0|0,0,2]=4 6738 B13R0.147 C=CCCCCCCOC[C@H](F)CN 34a_100015665980_100011215473 [0,2,0,0,0,0|1,0,1]=4 6739 B13R0.147 C=CCCCCCCSCC(=C)C#N 62a_100011215473_100000694840 [0,2,0,0,0,0|2,0,0]=4 6740 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,2,0,0,0,0|1,0,0]=3 6741 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,2,0,0,0,0|1,0,0]=3 6742 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100000183359_100011215473 [0,2,0,0,0,0|1,0,0]=3 6743 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100011215473_100000183359 [0,2,0,0,0,0|1,0,0]=3 6744 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,2,0,0,0,0|1,0,0]=3 6745 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,2,0,0,0,0|1,0,0]=3 6746 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [0,2,0,0,0,0|1,0,1]=4 6747 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [0,2,0,0,0,0|1,0,1]=4 6748 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100000730141_100011215473 [0,2,0,0,0,0|1,0,0]=3 6749 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100011215473_100000730141 [0,2,0,0,0,0|1,0,0]=3 6750 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,2,0,0,0,0|1,0,1]=4 6751 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,2,0,0,0,0|1,0,1]=4 6752 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011215473_100011219619 [0,2,0,0,0,0|0,0,2]=4 6753 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011219619_100011215473 [0,2,0,0,0,0|0,0,2]=4 6754 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [0,2,0,0,0,0|1,0,1]=4 6755 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [0,2,0,0,0,0|1,0,1]=4 6756 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215473 [0,2,0,0,0,0|0,0,2]=4 6757 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100011215473_100000059175 [0,2,0,0,0,0|0,0,2]=4 6758 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100011215473_100015614560 [0,2,0,0,0,0|1,0,1]=4 6759 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215473 [0,2,0,0,0,0|1,0,1]=4 6760 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215473 [0,2,0,0,0,0|0,0,2]=4 6761 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100011215473_100009815848 [0,2,0,0,0,0|0,0,2]=4 6762 B13R0.147 C=CCCCCCNCCC(=O)NC 2230a_100000738227_100000700193 [0,2,0,0,0,0|1,0,0]=3 6763 B13R0.147 C=CCCCCCNCCC(=O)NC 34a_100000738227_100000700193 [0,2,0,0,0,0|1,0,0]=3 6764 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [0,2,0,0,0,0|1,0,1]=4 6765 B13R0.147 C=CCCCCCNCCC(C)CO 2230a_106354213184_100000700193 [0,2,0,0,0,0|0,0,2]=4 6766 B13R0.147 C=CCCCCCNCCC(C)CO 34a_106354213184_100000700193 [0,2,0,0,0,0|0,0,2]=4 6767 B13R0.147 C=CCCCCCOCCC(=NO)N 34a_100000749954_100000700193 [0,2,0,0,0,0|1,0,1]=4 6768 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100000754576_100000700193 [0,2,0,0,0,0|1,0,0]=3 6769 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100011216702_100012179268 [0,2,0,0,0,0|1,0,0]=3 6770 B13R0.147 C=CCCCCCOCCC(=O)NC 7a_100011216702_100000737683 [0,2,0,0,0,0|1,0,0]=3 6771 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,2,0,0,0,0|1,0,0]=3 6772 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,2,0,0,0,0|1,0,0]=3 6773 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [0,2,0,0,0,0|1,0,1]=4 6774 B13R0.147 C=CCCCCCOCCC(C)OC 7a_100000764861_100000700193 [0,2,0,0,0,0|2,0,0]=4 6775 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000700193_100000737683 [0,2,0,0,0,0|1,0,0]=3 6776 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000737683_100000700193 [0,2,0,0,0,0|1,0,0]=3 6777 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,2,0,0,0,0|1,0,0]=3 6778 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,2,0,0,0,0|1,0,0]=3 6779 B13R0.147 C=CCCCCCSCOC(=O)OC 62a_100000700193_100000139417 [0,2,0,0,0,0|2,0,0]=4 6780 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000703577_100000741757 [0,2,0,0,0,0|1,0,0]=3 6781 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000740002_100011215482 [0,2,0,0,0,0|1,0,0]=3 6782 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000703577_100000741757 [0,2,0,0,0,0|1,0,0]=3 6783 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000740002_100011215482 [0,2,0,0,0,0|1,0,0]=3 6784 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,2,0,0,0,0|1,0,0]=3 6785 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,2,0,0,0,0|1,0,0]=3 6786 B13R0.147 C=CCCCCNCCNC(=O)C=C 2230a_114873766552_100011215482 [0,2,0,0,0,0|2,0,0]=4 6787 B13R0.147 C=CCCCCNCCNC(=O)CC 34a_100132302217_100011215482 [0,2,0,0,0,0|2,0,0]=4 6788 B13R0.147 C=CCCCCNCCNC(=O)NC 34a_100015205895_100011215482 [0,2,0,0,0,0|2,0,0]=4 6789 B13R0.147 C=CCCCCNCCOC(=O)C=C 2230a_100000703577_100009813456 [0,2,0,0,0,0|2,0,0]=4 6790 B13R0.147 C=CCCCCNCCOC(=O)C=C 34a_100000703577_100009813456 [0,2,0,0,0,0|2,0,0]=4 6791 B13R0.147 C=CCCCCNCCOC(=O)NC 34a_100000703577_200011997002 [0,2,0,0,0,0|2,0,0]=4 6792 B13R0.147 C=CCCCCOCCCC(=O)NC 34a_100000766645_100000741757 [0,2,0,0,0,0|1,0,0]=3 6793 B13R0.147 C=CCCCCOCCCC(=O)NC 7a_100000766645_100000741757 [0,2,0,0,0,0|1,0,0]=3 6794 B13R0.147 C=CCCCCOCCCC(=O)NN 34a_100000211488_100011215482 [0,2,0,0,0,0|1,0,0]=3 6795 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,2,0,0,0,0|1,0,0]=3 6796 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,2,0,0,0,0|1,0,0]=3 6797 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [0,2,0,0,0,0|1,0,1]=4 6798 B13R0.147 C=CCCCCOCCC[C@@H](C)CN 34a_100160569302_100011215482 [0,2,0,0,0,0|1,0,1]=4 6799 B13R0.147 C=CCCCCOCCNC(=O)C=C 34a_100011304386_100011215482 [0,2,0,0,0,0|2,0,0]=4 6800 B13R0.147 C=CCCCCOCCNC(=O)CC 34a_200000158885_100011215482 [0,2,0,0,0,0|2,0,0]=4 6801 B13R0.147 C=CCCCCOCCNC(=O)CC 7a_200000158885_100011215482 [0,2,0,0,0,0|2,0,0]=4 6802 B13R0.147 C=CCCCCOCCNC(=O)OC 34a_100000757965_100011215482 [0,2,0,0,0,0|2,0,0]=4 6803 B13R0.147 C=CCCCCOCCOC(=O)C=C 34a_100000766645_100009813456 [0,2,0,0,0,0|2,0,0]=4 6804 B13R0.147 C=CCCCCOCCOC(=O)C=C 7a_100000766645_100009813456 [0,2,0,0,0,0|2,0,0]=4 6805 B13R0.147 C=CCCCCOCCOC(=O)CC 7a_200000031056_100011215482 [0,2,0,0,0,0|2,0,0]=4 6806 B13R0.147 C=CCCCCOCCOC(=O)NC 34a_100000766645_200011997002 [0,2,0,0,0,0|2,0,0]=4 6807 B13R0.147 C=CCCCCOCCOC(=O)NC 7a_100000766645_200011997002 [0,2,0,0,0,0|2,0,0]=4 6808 B13R0.147 C=CCCCCOCCOC(=O)OC 34a_100010262106_100011215482 [0,2,0,0,0,0|2,0,0]=4 6809 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100000741757_100011215482 [0,2,0,0,0,0|1,0,0]=3 6810 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100011215482_100000741757 [0,2,0,0,0,0|1,0,0]=3 6811 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,2,0,0,0,0|1,0,0]=3 6812 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,2,0,0,0,0|1,0,0]=3 6813 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100009813456_100011215482 [0,2,0,0,0,0|2,0,0]=4 6814 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100011215482_100009813456 [0,2,0,0,0,0|2,0,0]=4 6815 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_100011215482_200011997002 [0,2,0,0,0,0|2,0,0]=4 6816 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_200011997002_100011215482 [0,2,0,0,0,0|2,0,0]=4 6817 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,2,0,0,0,0|1,0,0]=3 6818 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,2,0,0,0,0|1,0,0]=3 6819 B13R0.147 C=CCCCNCCOCC(=O)OC 2230a_100000700776_100000090808 [0,2,0,0,0,0|2,0,0]=4 6820 B13R0.147 C=CCCCNCCOCC(=O)OC 34a_100000700776_100000090808 [0,2,0,0,0,0|2,0,0]=4 6821 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,2,0,0,0,0|1,0,0]=3 6822 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,2,0,0,0,0|1,0,0]=3 6823 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,2,0,0,0,0|1,0,0]=3 6824 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,2,0,0,0,0|1,0,0]=3 6825 B13R0.147 C=CCCCOCCOCC(=O)OC 34a_100000758997_100000090808 [0,2,0,0,0,0|2,0,0]=4 6826 B13R0.147 C=CCCCOCCOCC(=O)OC 7a_100000758997_100000090808 [0,2,0,0,0,0|2,0,0]=4 6827 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,2,0,0,0,0|1,0,0]=3 6828 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,2,0,0,0,0|1,0,0]=3 6829 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100000090808_100000757094 [0,2,0,0,0,0|2,0,0]=4 6830 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100011713584_100000090808 [0,2,0,0,0,0|2,0,0]=4 6831 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,2,0,0,0,0|1,0,0]=3 6832 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,2,0,0,0,0|1,0,0]=3 6833 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,2,0,0,0,0|1,0,0]=3 6834 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,2,0,0,0,0|1,0,0]=3 6835 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [0,2,0,0,0,0|1,0,1]=4 6836 B13R0.147 C=CCCOCCCCNC(=O)C=C 34a_100014118770_100000754431 [0,2,0,0,0,0|2,0,0]=4 6837 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,2,0,0,0,0|1,0,0]=3 6838 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,2,0,0,0,0|1,0,0]=3 6839 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,2,0,0,0,0|1,0,0]=3 6840 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,2,0,0,0,0|1,0,0]=3 6841 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,2,0,0,0,0|1,0,0]=3 6842 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,2,0,0,0,0|1,0,0]=3 6843 B13R0.147 C=CCOCCCCCOC(=O)C=C 7a_200011023508_100015514636 [0,2,0,0,0,0|2,0,0]=4 6844 B13R0.147 C=CCOCCOCCCC(=O)NC 34a_100000037705_100000741757 [0,2,0,0,0,0|2,0,0]=4 6845 B13R0.147 C=CCOCCOCCCC(=O)NC 7a_100000037705_100000741757 [0,2,0,0,0,0|2,0,0]=4 6846 B13R0.147 C=CCOCCOCCCC(=O)OC 34a_100000037705_100000742333 [0,2,0,0,0,0|2,0,0]=4 6847 B13R0.147 C=CCOCCOCCCC(=O)OC 7a_100000037705_100011218270 [0,2,0,0,0,0|2,0,0]=4 6848 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,2,0,0,0,0|1,0,0]=3 6849 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,2,0,0,0,0|1,0,0]=3 6850 B13R0.147 C=COCCCCOCCC(=O)NC 34a_100000031558_100012179268 [0,2,0,0,0,0|2,0,0]=4 6851 B13R0.147 C=COCCCCOCCC(=O)NC 7a_100000031558_100000737683 [0,2,0,0,0,0|2,0,0]=4 6852 B13R0.147 C=COCCCCOCCC(=O)OC 34a_100000031558_100000742370 [0,2,0,0,0,0|2,0,0]=4 6853 B13R0.147 C=COCCCCOCCC(=O)OC 7a_100000031558_100000204255 [0,2,0,0,0,0|2,0,0]=4 6854 B13R0.147 C=COCCCNCCCC(=O)NC 2230a_100000210767_100000741757 [0,2,0,0,0,0|2,0,0]=4 6855 B13R0.147 C=COCCCNCCCC(=O)NC 34a_100000210767_100000741757 [0,2,0,0,0,0|2,0,0]=4 6856 B13R0.147 C=COCCCNCCCC(=O)OC 2230a_100000210767_100011218270 [0,2,0,0,0,0|2,0,0]=4 6857 B13R0.147 C=COCCCNCCCC(=O)OC 34a_100000210767_100000742333 [0,2,0,0,0,0|2,0,0]=4 6858 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000033082_100000204269 [0,2,0,0,0,0|2,0,0]=4 6859 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000059025_100000039644 [0,2,0,0,0,0|2,0,0]=4 6860 B13R0.147 C=COCCOCCCCC(=O)OC 7a_100000059025_100000039644 [0,2,0,0,0,0|2,0,0]=4 6861 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000039644_100000204269 [0,2,0,0,0,0|2,0,0]=4 6862 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000204269_100000039644 [0,2,0,0,0,0|2,0,0]=4 6863 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|1,0,1]=4 6864 B13R0.147 C=C[C@H](N)COCCCCCCCO 34a_100016989147_100000760002 [0,2,0,0,0,0|0,0,2]=4 6865 B13R0.147 C=C[C@H](N)COCCCCCCOC 34a_100016989147_100011998445 [0,2,0,0,0,0|2,0,0]=4 6866 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [0,2,0,0,0,0|1,0,1]=4 6867 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,1]=4 6868 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|1,0,1]=4 6869 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [0,2,0,0,0,0|0,0,2]=4 6870 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [0,2,0,0,0,0|0,0,2]=4 6871 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [0,2,0,0,0,0|0,0,2]=4 6872 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|0,0,2]=4 6873 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|0,0,2]=4 6874 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|0,0,2]=4 6875 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,2]=4 6876 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|0,0,2]=4 6877 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|0,0,2]=4 6878 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|0,0,2]=4 6879 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|1,0,1]=4 6880 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|1,0,1]=4 6881 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|1,0,1]=4 6882 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|1,0,1]=4 6883 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,2,0,0,0,0|1,0,1]=4 6884 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,2,0,0,0,0|1,0,1]=4 6885 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,2,0,0,0,0|1,0,1]=4 6886 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,2,0,0,0,0|1,0,1]=4 6887 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,2,0,0,0,0|1,0,1]=4 6888 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,2,0,0,0,0|1,0,1]=4 6889 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|1,0,1]=4 6890 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|1,0,1]=4 6891 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|1,0,1]=4 6892 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|1,0,1]=4 6893 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|1,0,1]=4 6894 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|1,0,1]=4 6895 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|1,0,1]=4 6896 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|1,0,1]=4 6897 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|1,0,1]=4 6898 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,2,0,0,0,0|1,0,1]=4 6899 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,2,0,0,0,0|1,0,1]=4 6900 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,2,0,0,0,0|1,0,1]=4 6901 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,2,0,0,0,0|1,0,1]=4 6902 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,2,0,0,0,0|1,0,1]=4 6903 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,2,0,0,0,0|1,0,1]=4 6904 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,2,0,0,0,0|1,0,1]=4 6905 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,2,0,0,0,0|1,0,1]=4 6906 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,2,0,0,0,0|1,0,1]=4 6907 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,2,0,0,0,0|1,0,1]=4 6908 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,2,0,0,0,0|1,0,1]=4 6909 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [0,2,0,0,0,0|1,0,1]=4 6910 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|1,0,1]=4 6911 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|1,0,1]=4 6912 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|1,0,1]=4 6913 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|1,0,1]=4 6914 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|1,0,1]=4 6915 B13R0.165 C#CCCCCC(=O)CCCCC=C 1458a_100000696528_100011215482 [0,2,0,0,0,0|1,0,1]=4 6916 B13R0.165 C#CCCCCC(=O)CCCCC=C 1458a_100011215552_100010269958 [0,2,0,0,0,0|1,0,1]=4 6917 B13R0.165 C#CCCCCN(C)CCCCC=C 2230a_100012000471_100010269958 [0,2,0,0,0,0|1,0,1]=4 6918 B13R0.165 C#CCCCCN(C)CCCCC=C 269982a_100012000471_100010269958 [0,2,0,0,0,0|1,0,1]=4 6919 B13R0.165 C=CCCCCC(=O)CCCCC#N 1458a_100011215552_100000211819 [0,2,0,0,0,0|1,0,1]=4 6920 B13R0.165 C=CCCCCC(=O)CCCCC=C 1458a_100011215552_100011215482 [0,2,0,0,0,0|1,0,0]=3 6921 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,2,0,0,0,0|1,0,1]=4 6922 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,2,0,0,0,0|1,0,1]=4 6923 B13R0.165 C=CCCCCC(=O)CCCCCF 1458a_100011215552_100000729378 [0,2,0,0,0,0|1,0,1]=4 6924 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,2,0,0,0,0|0,0,2]=4 6925 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,2,0,0,0,0|0,0,2]=4 6926 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [0,2,0,0,0,0|2,0,0]=4 6927 B13R0.165 C=CCCCCC(=O)CCOCC=C 1458a_200011217002_100011215482 [0,2,0,0,0,0|1,0,1]=4 6928 B13R0.165 C=CCCCCC(=O)NCCCC=C 11a_100000700776_100011215552 [0,2,0,0,0,0|1,0,1]=4 6929 B13R0.165 C=CCCCCC(=O)NCCCC=C 1626a_100000700776_100011215552 [0,2,0,0,0,0|1,0,1]=4 6930 B13R0.165 C=CCCCCC(=O)NCCCC=C 240690a_100000700776_100011215552 [0,2,0,0,0,0|1,0,1]=4 6931 B13R0.165 C=CCCCCC(=O)NCCCC=C 527a_100000700776_100011215552 [0,2,0,0,0,0|1,0,1]=4 6932 B13R0.165 C=CCCCCN(C)CCCCC#N 2230a_100012000471_100000211819 [0,2,0,0,0,0|1,0,1]=4 6933 B13R0.165 C=CCCCCN(C)CCCCC#N 269982a_100012000471_100011219923 [0,2,0,0,0,0|1,0,1]=4 6934 B13R0.165 C=CCCCCN(C)CCCCC=C 2230a_100012000471_100011215482 [0,2,0,0,0,0|1,0,0]=3 6935 B13R0.165 C=CCCCCN(C)CCCCC=C 269982a_100012000471_100011215482 [0,2,0,0,0,0|1,0,0]=3 6936 B13R0.165 C=CCCCCN(C)CCCCC=O 2230a_100012000471_100000139335 [0,2,0,0,0,0|0,0,0]=2 6937 B13R0.165 C=CCCCCN(C)CCCCC=O 269982a_100012000471_100000139335 [0,2,0,0,0,0|0,0,0]=2 6938 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [0,2,0,0,0,0|1,0,1]=4 6939 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [0,2,0,0,0,0|1,0,1]=4 6940 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [0,2,0,0,0,0|1,0,1]=4 6941 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [0,2,0,0,0,0|1,0,1]=4 6942 B13R0.165 C=CCCCCN(C)CCCCCF 2230a_100012000471_100000729378 [0,2,0,0,0,0|1,0,1]=4 6943 B13R0.165 C=CCCCCN(C)CCCCCF 269982a_100012000471_100000729378 [0,2,0,0,0,0|1,0,1]=4 6944 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100000722520_100011215482 [0,2,0,0,0,0|0,0,2]=4 6945 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100012000471_100000746330 [0,2,0,0,0,0|0,0,2]=4 6946 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100000722520_100011215482 [0,2,0,0,0,0|0,0,2]=4 6947 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100012000471_100000746330 [0,2,0,0,0,0|0,0,2]=4 6948 B13R0.165 C=CCCCCN(C)CCCCOC 2230a_100012000471_100000730899 [0,2,0,0,0,0|2,0,0]=4 6949 B13R0.165 C=CCCCCN(C)CCCCOC 269982a_100012000471_100000730899 [0,2,0,0,0,0|2,0,0]=4 6950 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [0,2,0,0,0,0|1,0,1]=4 6951 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [0,2,0,0,0,0|1,0,1]=4 6952 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [0,2,0,0,0,0|1,0,1]=4 6953 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [0,2,0,0,0,0|1,0,1]=4 6954 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [0,2,0,0,0,0|1,0,1]=4 6955 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [0,2,0,0,0,0|1,0,1]=4 6956 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [0,2,0,0,0,0|1,0,1]=4 6957 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [0,2,0,0,0,0|1,0,1]=4 6958 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [0,2,0,0,0,0|1,0,1]=4 6959 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011215978_100000757094 [0,2,0,0,0,0|1,0,1]=4 6960 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011713584_100011215978 [0,2,0,0,0,0|1,0,1]=4 6961 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [0,2,0,0,0,0|1,0,1]=4 6962 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [0,2,0,0,0,0|1,0,1]=4 6963 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [0,2,0,0,0,0|0,0,2]=4 6964 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [0,2,0,0,0,0|0,0,2]=4 6965 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [0,2,0,0,0,0|0,0,2]=4 6966 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [0,2,0,0,0,0|0,0,2]=4 6967 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [0,2,0,0,0,0|0,0,2]=4 6968 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [0,2,0,0,0,0|0,0,2]=4 6969 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [0,2,0,0,0,0|0,0,2]=4 6970 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [0,2,0,0,0,0|0,0,2]=4 6971 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [0,2,0,0,0,0|1,0,1]=4 6972 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [0,2,0,0,0,0|1,0,1]=4 6973 B13R0.336 C#CCCCCCCCCOCC=C 34a_100000065265_100015514636 [0,2,0,0,0,0|1,0,1]=4 6974 B13R0.336 C#CCCCCCCCCOCC=C 7a_100000065265_100015514636 [0,2,0,0,0,0|1,0,1]=4 6975 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [0,2,0,0,0,0|0,0,2]=4 6976 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [0,2,0,0,0,0|0,0,2]=4 6977 B13R0.336 C#CCCCCCCCNCCC=C 2230a_100015191253_100153394163 [0,2,0,0,0,0|1,0,1]=4 6978 B13R0.336 C#CCCCCCCCOC/C=C/C 34a_100000054614_100102629194 [0,2,0,0,0,0|1,0,1]=4 6979 B13R0.336 C#CCCCCCCCOC/C=C/C 34a_100016270725_100153394163 [0,2,0,0,0,0|1,0,1]=4 6980 B13R0.336 C#CCCCCCCCOC/C=C/C 7a_100000054614_100102629194 [0,2,0,0,0,0|1,0,1]=4 6981 B13R0.336 C#CCCCCCCCOCC=CC 34a_100000054614_100000070051 [0,2,0,0,0,0|1,0,1]=4 6982 B13R0.336 C#CCCCCCCCOCC=CC 7a_100000054614_100000070051 [0,2,0,0,0,0|1,0,1]=4 6983 B13R0.336 C#CCCCCCCCOCCC=C 34a_100000054614_100000754431 [0,2,0,0,0,0|1,0,1]=4 6984 B13R0.336 C#CCCCCCCCOCCC=C 34a_100011205117_100153394163 [0,2,0,0,0,0|1,0,1]=4 6985 B13R0.336 C#CCCCCCCCOCCC=C 7a_100000054614_100000754431 [0,2,0,0,0,0|1,0,1]=4 6986 B13R0.336 C#CCCCCCCCSC/C=C/C 62a_100102629194_100153394163 [0,2,0,0,0,0|1,0,1]=4 6987 B13R0.336 C#CCCCCCCCSC/C=C/C 62a_100153394163_100102629194 [0,2,0,0,0,0|1,0,1]=4 6988 B13R0.336 C#CCCCCCCCSCC=CC 62a_100000070051_100153394163 [0,2,0,0,0,0|1,0,1]=4 6989 B13R0.336 C#CCCCCCCCSCC=CC 62a_100153394163_100000070051 [0,2,0,0,0,0|1,0,1]=4 6990 B13R0.336 C#CCCCCCCCSCCC=C 62a_100000754431_100153394163 [0,2,0,0,0,0|1,0,1]=4 6991 B13R0.336 C#CCCCCCCCSCCC=C 62a_100153394163_100000754431 [0,2,0,0,0,0|1,0,1]=4 6992 B13R0.336 C#CCCCCCCNCCCC=C 2230a_100000700776_100012276617 [0,2,0,0,0,0|1,0,1]=4 6993 B13R0.336 C#CCCCCCCNCCCC=C 34a_100000700776_100012276617 [0,2,0,0,0,0|1,0,1]=4 6994 B13R0.336 C#CCCCCCCOCC/C=C/C 34a_100016278192_100012276617 [0,2,0,0,0,0|1,0,1]=4 6995 B13R0.336 C#CCCCCCCOCCCC=C 34a_100000758997_100012276617 [0,2,0,0,0,0|1,0,1]=4 6996 B13R0.336 C#CCCCCCCOCCCC=C 34a_100011217361_100000757094 [0,2,0,0,0,0|1,0,1]=4 6997 B13R0.336 C#CCCCCCCOCCCC=C 7a_100000758997_100012276617 [0,2,0,0,0,0|1,0,1]=4 6998 B13R0.336 C#CCCCCCCOCCCC=C 7a_100011217361_100000757094 [0,2,0,0,0,0|1,0,1]=4 6999 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [0,2,0,0,0,0|0,0,2]=4 7000 B13R0.336 C#CCCCCCCOCCOC=C 34a_100000033082_100012276617 [0,2,0,0,0,0|1,0,1]=4 7001 B13R0.336 C#CCCCCCCOCCOC=C 34a_100011217361_100000039644 [0,2,0,0,0,0|1,0,1]=4 7002 B13R0.336 C#CCCCCCCOCCOC=C 7a_100011217361_100000039644 [0,2,0,0,0,0|1,0,1]=4 7003 B13R0.336 C#CCCCCCCSCCCC=C 62a_100011713584_100012276617 [0,2,0,0,0,0|1,0,1]=4 7004 B13R0.336 C#CCCCCCCSCCCC=C 62a_100012276617_100000757094 [0,2,0,0,0,0|1,0,1]=4 7005 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [0,2,0,0,0,0|0,0,2]=4 7006 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [0,2,0,0,0,0|0,0,2]=4 7007 B13R0.336 C#CCCCCCCSCCOC=C 62a_100000039644_100012276617 [0,2,0,0,0,0|1,0,1]=4 7008 B13R0.336 C#CCCCCCCSCCOC=C 62a_100012276617_100000039644 [0,2,0,0,0,0|1,0,1]=4 7009 B13R0.336 C#CCCCCCNCCCCC=C 2230a_100000703577_100012094781 [0,2,0,0,0,0|1,0,1]=4 7010 B13R0.336 C#CCCCCCNCCCCC=C 34a_100000703577_100012094781 [0,2,0,0,0,0|1,0,1]=4 7011 B13R0.336 C#CCCCCCNCCCOC=C 2230a_100000210767_100012094781 [0,2,0,0,0,0|1,0,1]=4 7012 B13R0.336 C#CCCCCCNCCCOC=C 34a_100000210767_100012094781 [0,2,0,0,0,0|1,0,1]=4 7013 B13R0.336 C#CCCCCCOCCCC=CC 34a_100020645299_100012094781 [0,2,0,0,0,0|1,0,1]=4 7014 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766645_100012094781 [0,2,0,0,0,0|1,0,1]=4 7015 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766912_100011215482 [0,2,0,0,0,0|1,0,1]=4 7016 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766645_100012094781 [0,2,0,0,0,0|1,0,1]=4 7017 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766912_100011215482 [0,2,0,0,0,0|1,0,1]=4 7018 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [0,2,0,0,0,0|0,0,2]=4 7019 B13R0.336 C#CCCCCCOCCOCC=C 34a_100000037705_100012094781 [0,2,0,0,0,0|1,0,1]=4 7020 B13R0.336 C#CCCCCCOCCOCC=C 7a_100000037705_100012094781 [0,2,0,0,0,0|1,0,1]=4 7021 B13R0.336 C#CCCCCCSCCCCC=C 62a_100011215482_100012094781 [0,2,0,0,0,0|1,0,1]=4 7022 B13R0.336 C#CCCCCCSCCCCC=C 62a_100012094781_100011215482 [0,2,0,0,0,0|1,0,1]=4 7023 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [0,2,0,0,0,0|0,0,2]=4 7024 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [0,2,0,0,0,0|0,0,2]=4 7025 B13R0.336 C#CCCCCNCCCCCC=C 2230a_100000706060_100000700193 [0,2,0,0,0,0|1,0,1]=4 7026 B13R0.336 C#CCCCCNCCCCCC=C 34a_100000706060_100000700193 [0,2,0,0,0,0|1,0,1]=4 7027 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [0,2,0,0,0,0|0,0,2]=4 7028 B13R0.336 C#CCCCCOCCCCCC=C 34a_100000766709_100000700193 [0,2,0,0,0,0|1,0,1]=4 7029 B13R0.336 C#CCCCCOCCCCCC=C 34a_100011216702_100010269958 [0,2,0,0,0,0|1,0,1]=4 7030 B13R0.336 C#CCCCCOCCCCCC=C 7a_100000766709_100000700193 [0,2,0,0,0,0|1,0,1]=4 7031 B13R0.336 C#CCCCCOCCCCCC=C 7a_100011216702_100010269958 [0,2,0,0,0,0|1,0,1]=4 7032 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [0,2,0,0,0,0|0,0,2]=4 7033 B13R0.336 C#CCCCCOCCCCOC=C 34a_100000031558_100010269958 [0,2,0,0,0,0|1,0,1]=4 7034 B13R0.336 C#CCCCCOCCCCOC=C 7a_100000031558_100010269958 [0,2,0,0,0,0|1,0,1]=4 7035 B13R0.336 C#CCCCCSCCCCCC=C 62a_100000700193_100010269958 [0,2,0,0,0,0|1,0,1]=4 7036 B13R0.336 C#CCCCCSCCCCCC=C 62a_100010269958_100000700193 [0,2,0,0,0,0|1,0,1]=4 7037 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [0,2,0,0,0,0|0,0,2]=4 7038 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [0,2,0,0,0,0|0,0,2]=4 7039 B13R0.336 C#CCCCNCCCCCCC=C 34a_100000718082_100011215473 [0,2,0,0,0,0|1,0,1]=4 7040 B13R0.336 C#CCCCOCCCCCCC=C 34a_100000215630_100011215473 [0,2,0,0,0,0|1,0,1]=4 7041 B13R0.336 C#CCCCOCCCCCCC=C 34a_200011216477_100000695029 [0,2,0,0,0,0|1,0,1]=4 7042 B13R0.336 C#CCCCOCCCCCCC=C 7a_100000215630_100011215473 [0,2,0,0,0,0|1,0,1]=4 7043 B13R0.336 C#CCCCOCCCCCCC=C 7a_200011216477_100011215417 [0,2,0,0,0,0|1,0,1]=4 7044 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215417_100011215473 [0,2,0,0,0,0|1,0,1]=4 7045 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215473_100011215417 [0,2,0,0,0,0|1,0,1]=4 7046 B13R0.336 C#CCCNCCCCCCCC=C 34a_100000755551_100012355270 [0,2,0,0,0,0|1,0,1]=4 7047 B13R0.336 C#CCCOCCCCCCCC=C 34a_100000730831_100000688953 [0,2,0,0,0,0|1,0,1]=4 7048 B13R0.336 C#CCCOCCCCCCCC=C 34a_100011215631_100012355270 [0,2,0,0,0,0|1,0,1]=4 7049 B13R0.336 C#CCCOCCCCCCCC=C 7a_100000730831_100000688953 [0,2,0,0,0,0|1,0,1]=4 7050 B13R0.336 C#CCCSCCCCCCCC=C 62a_100000688953_100012355270 [0,2,0,0,0,0|1,0,1]=4 7051 B13R0.336 C#CCCSCCCCCCCC=C 62a_100012355270_100000688953 [0,2,0,0,0,0|1,0,1]=4 7052 B13R0.336 C#CCNCCCCCCCCC=C 34a_100000212058_100011933949 [0,2,0,0,0,0|1,0,1]=4 7053 B13R0.336 C#CCOCCCCCCCCC=C 34a_100000210247_100011933949 [0,2,0,0,0,0|1,0,1]=4 7054 B13R0.336 C#CCOCCCCCCCCC=C 34a_100011215194_100000184674 [0,2,0,0,0,0|1,0,1]=4 7055 B13R0.336 C#CCOCCCCCCCCC=C 7a_100011215194_100000038162 [0,2,0,0,0,0|1,0,1]=4 7056 B13R0.336 C#CCOCCCCCCOCC=C 34a_200011021349_100015514636 [0,2,0,0,0,0|1,0,1]=4 7057 B13R0.336 C#CCOCCCCCCOCC=C 7a_200011021349_100015514636 [0,2,0,0,0,0|1,0,1]=4 7058 B13R0.336 C#CCOCCCCCCOCC=O 34a_200011021349_200009817547 [0,2,0,0,0,0|0,0,2]=4 7059 B13R0.336 C#CCOCCCCCCOCC=O 7a_200011021349_200015260668 [0,2,0,0,0,0|0,0,2]=4 7060 B13R0.336 C#CCOCCNCCCCCC=C 2230a_100000700922_100000700193 [0,2,0,0,0,0|1,0,1]=4 7061 B13R0.336 C#CCOCCNCCCCCC=C 34a_100000700922_100000700193 [0,2,0,0,0,0|1,0,1]=4 7062 B13R0.336 C#CCOCCNCCCCCC=O 2230a_100000700922_100000139337 [0,2,0,0,0,0|0,0,2]=4 7063 B13R0.336 C#CCOCCOCCCCCC=C 34a_100000054580_100000700193 [0,2,0,0,0,0|1,0,1]=4 7064 B13R0.336 C#CCOCCOCCCCCC=C 34a_100011216702_100010402529 [0,2,0,0,0,0|1,0,1]=4 7065 B13R0.336 C#CCOCCOCCCCCC=C 7a_100000054580_100000700193 [0,2,0,0,0,0|1,0,1]=4 7066 B13R0.336 C#CCOCCOCCCCCC=C 7a_100011216702_100010402529 [0,2,0,0,0,0|1,0,1]=4 7067 B13R0.336 C#CCOCCOCCCCCC=O 7a_100000054580_100000139337 [0,2,0,0,0,0|0,0,2]=4 7068 B13R0.336 C#CCOCCSCCCCCC=C 62a_100000700193_100010402529 [0,2,0,0,0,0|1,0,1]=4 7069 B13R0.336 C#CCOCCSCCCCCC=C 62a_100010402529_100000700193 [0,2,0,0,0,0|1,0,1]=4 7070 B13R0.336 C#CCOCCSCCCCCC=O 62a_100000139337_100010402529 [0,2,0,0,0,0|0,0,2]=4 7071 B13R0.336 C#CCOCCSCCCCCC=O 62a_100010402529_100000139337 [0,2,0,0,0,0|0,0,2]=4 7072 B13R0.336 C#CCSCCCCCCCCC=C 62a_100000038162_100011933949 [0,2,0,0,0,0|1,0,1]=4 7073 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [0,2,0,0,0,0|1,0,1]=4 7074 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [0,2,0,0,0,0|0,0,2]=4 7075 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,2,0,0,0,0|2,0,0]=4 7076 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [0,2,0,0,0,0|1,0,1]=4 7077 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [0,2,0,0,0,0|0,0,2]=4 7078 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [0,2,0,0,0,0|1,0,1]=4 7079 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [0,2,0,0,0,0|1,0,1]=4 7080 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [0,2,0,0,0,0|1,0,1]=4 7081 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [0,2,0,0,0,0|1,0,1]=4 7082 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [0,2,0,0,0,0|1,0,1]=4 7083 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [0,2,0,0,0,0|1,0,1]=4 7084 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [0,2,0,0,0,0|1,0,1]=4 7085 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [0,2,0,0,0,0|1,0,1]=4 7086 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [0,2,0,0,0,0|0,0,2]=4 7087 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [0,2,0,0,0,0|1,0,1]=4 7088 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [0,2,0,0,0,0|0,0,2]=4 7089 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [0,2,0,0,0,0|0,0,2]=4 7090 B13R0.336 C=CCCC/C=C/COCCCC=C 34a_200016268473_100000757094 [0,2,0,0,0,0|1,0,1]=4 7091 B13R0.336 C=CCCC/C=C/COCCCC=C 7a_200016268473_100000757094 [0,2,0,0,0,0|1,0,1]=4 7092 B13R0.336 C=CCCC/C=C/COCCCC=O 7a_200016268473_200011292268 [0,2,0,0,0,0|0,0,1]=3 7093 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [0,2,0,0,0,0|1,0,1]=4 7094 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [0,2,0,0,0,0|1,0,1]=4 7095 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [0,2,0,0,0,0|1,0,1]=4 7096 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [0,2,0,0,0,0|0,0,2]=4 7097 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [0,2,0,0,0,0|0,1,1]=4 7098 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [0,2,0,0,0,0|0,1,1]=4 7099 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [0,2,0,0,0,0|0,1,1]=4 7100 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [0,2,0,0,0,0|0,1,1]=4 7101 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [0,2,0,0,0,0|1,0,1]=4 7102 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [0,2,0,0,0,0|1,0,1]=4 7103 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [0,2,0,0,0,0|1,0,1]=4 7104 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [0,2,0,0,0,0|1,0,1]=4 7105 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [0,2,0,0,0,0|0,0,2]=4 7106 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [0,2,0,0,0,0|0,0,2]=4 7107 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [0,2,0,0,0,0|0,0,2]=4 7108 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [0,2,0,0,0,0|0,0,2]=4 7109 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [0,2,0,0,0,0|0,0,2]=4 7110 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [0,2,0,0,0,0|0,1,1]=4 7111 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [0,2,0,0,0,0|0,1,1]=4 7112 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [0,2,0,0,0,0|0,1,1]=4 7113 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [0,2,0,0,0,0|0,1,1]=4 7114 B13R0.336 C=CCCCCCCCCNCC=C 2230a_100020586998_100011933949 [0,2,0,0,0,0|1,0,0]=3 7115 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [0,2,0,0,0,0|1,0,1]=4 7116 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,2,0,0,0,0|0,0,2]=4 7117 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,2,0,0,0,0|0,0,2]=4 7118 B13R0.336 C=CCCCCCCCCOCC#N 7a_100011215194_100011215382 [0,2,0,0,0,0|1,0,1]=4 7119 B13R0.336 C=CCCCCCCCCOCC=C 34a_100011215194_100015514636 [0,2,0,0,0,0|1,0,0]=3 7120 B13R0.336 C=CCCCCCCCCOCC=C 34a_200000210373_100011933949 [0,2,0,0,0,0|1,0,0]=3 7121 B13R0.336 C=CCCCCCCCCOCC=C 7a_100011215194_100015514636 [0,2,0,0,0,0|1,0,0]=3 7122 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [0,2,0,0,0,0|0,0,0]=2 7123 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [0,2,0,0,0,0|0,0,0]=2 7124 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [0,2,0,0,0,0|1,0,1]=4 7125 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [0,2,0,0,0,0|1,0,1]=4 7126 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [0,2,0,0,0,0|1,0,1]=4 7127 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [0,2,0,0,0,0|1,0,1]=4 7128 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [0,2,0,0,0,0|1,0,1]=4 7129 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [0,2,0,0,0,0|1,0,1]=4 7130 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [0,2,0,0,0,0|1,0,1]=4 7131 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,2,0,0,0,0|0,0,2]=4 7132 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,2,0,0,0,0|0,0,2]=4 7133 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [0,2,0,0,0,0|0,1,1]=4 7134 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011215382_100011933949 [0,2,0,0,0,0|1,0,1]=4 7135 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011933949_100011215382 [0,2,0,0,0,0|1,0,1]=4 7136 B13R0.336 C=CCCCCCCCCSCC=C 62a_100000210623_100011933949 [0,2,0,0,0,0|1,0,0]=3 7137 B13R0.336 C=CCCCCCCCCSCC=C 62a_100011933949_100000210623 [0,2,0,0,0,0|1,0,0]=3 7138 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [0,2,0,0,0,0|0,0,0]=2 7139 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [0,2,0,0,0,0|0,0,0]=2 7140 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [0,2,0,0,0,0|1,0,1]=4 7141 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [0,2,0,0,0,0|1,0,1]=4 7142 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [0,2,0,0,0,0|1,0,1]=4 7143 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [0,2,0,0,0,0|1,0,1]=4 7144 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,2,0,0,0,0|0,0,2]=4 7145 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,2,0,0,0,0|0,0,2]=4 7146 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [0,2,0,0,0,0|0,0,2]=4 7147 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [0,2,0,0,0,0|0,0,2]=4 7148 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [0,2,0,0,0,0|0,1,1]=4 7149 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [0,2,0,0,0,0|0,1,1]=4 7150 B13R0.336 C=CCCCCCCCNCC#CC 2230a_100000685387_100012355270 [0,2,0,0,0,0|1,0,1]=4 7151 B13R0.336 C=CCCCCCCCNCC#CC 34a_100000685387_100012355270 [0,2,0,0,0,0|1,0,1]=4 7152 B13R0.336 C=CCCCCCCCNCCC=C 2230a_100015191253_100012355270 [0,2,0,0,0,0|1,0,0]=3 7153 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [0,2,0,0,0,0|1,0,1]=4 7154 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [0,2,0,0,0,0|1,0,1]=4 7155 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [0,2,0,0,0,0|1,0,1]=4 7156 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [0,2,0,0,0,0|1,0,1]=4 7157 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [0,2,0,0,0,0|0,0,2]=4 7158 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [0,2,0,0,0,0|0,1,1]=4 7159 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100000730831_100102629194 [0,2,0,0,0,0|1,0,0]=3 7160 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100016270725_100012355270 [0,2,0,0,0,0|1,0,0]=3 7161 B13R0.336 C=CCCCCCCCOC/C=C/C 7a_100000730831_100102629194 [0,2,0,0,0,0|1,0,0]=3 7162 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000730831_100000748600 [0,2,0,0,0,0|1,0,1]=4 7163 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000761923_100012355270 [0,2,0,0,0,0|1,0,1]=4 7164 B13R0.336 C=CCCCCCCCOCC#CC 7a_100000730831_100000748600 [0,2,0,0,0,0|1,0,1]=4 7165 B13R0.336 C=CCCCCCCCOCC=CC 34a_100000730831_100000070051 [0,2,0,0,0,0|1,0,0]=3 7166 B13R0.336 C=CCCCCCCCOCC=CC 7a_100000730831_100000070051 [0,2,0,0,0,0|1,0,0]=3 7167 B13R0.336 C=CCCCCCCCOCCC#N 7a_100000730831_100000184422 [0,2,0,0,0,0|1,0,1]=4 7168 B13R0.336 C=CCCCCCCCOCCC=C 34a_100000730831_100000754431 [0,2,0,0,0,0|1,0,0]=3 7169 B13R0.336 C=CCCCCCCCOCCC=C 34a_100011205117_100012355270 [0,2,0,0,0,0|1,0,0]=3 7170 B13R0.336 C=CCCCCCCCOCCC=C 7a_100000730831_100000754431 [0,2,0,0,0,0|1,0,0]=3 7171 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [0,2,0,0,0,0|1,0,1]=4 7172 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [0,2,0,0,0,0|1,0,1]=4 7173 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [0,2,0,0,0,0|1,0,1]=4 7174 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [0,2,0,0,0,0|1,0,1]=4 7175 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [0,2,0,0,0,0|1,0,1]=4 7176 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [0,2,0,0,0,0|1,0,1]=4 7177 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [0,2,0,0,0,0|1,0,1]=4 7178 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [0,2,0,0,0,0|1,0,1]=4 7179 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [0,2,0,0,0,0|1,0,1]=4 7180 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [0,2,0,0,0,0|1,0,1]=4 7181 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [0,2,0,0,0,0|0,0,2]=4 7182 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [0,2,0,0,0,0|0,0,2]=4 7183 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,2,0,0,0,0|0,0,2]=4 7184 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,2,0,0,0,0|0,0,2]=4 7185 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,2,0,0,0,0|0,0,2]=4 7186 B13R0.336 C=CCCCCCCCOCCON 34a_100000700252_100012355270 [0,2,0,0,0,0|0,0,2]=4 7187 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [0,2,0,0,0,0|0,1,1]=4 7188 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [0,2,0,0,0,0|0,1,1]=4 7189 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [0,2,0,0,0,0|0,1,1]=4 7190 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [0,2,0,0,0,0|0,1,1]=4 7191 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100012355270_100102629194 [0,2,0,0,0,0|1,0,0]=3 7192 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100102629194_100012355270 [0,2,0,0,0,0|1,0,0]=3 7193 B13R0.336 C=CCCCCCCCSCC#CC 62a_100000748600_100012355270 [0,2,0,0,0,0|1,0,1]=4 7194 B13R0.336 C=CCCCCCCCSCC#CC 62a_100012355270_100000748600 [0,2,0,0,0,0|1,0,1]=4 7195 B13R0.336 C=CCCCCCCCSCC=CC 62a_100000070051_100012355270 [0,2,0,0,0,0|1,0,0]=3 7196 B13R0.336 C=CCCCCCCCSCC=CC 62a_100012355270_100000070051 [0,2,0,0,0,0|1,0,0]=3 7197 B13R0.336 C=CCCCCCCCSCCC#N 62a_100011215226_100012355270 [0,2,0,0,0,0|1,0,1]=4 7198 B13R0.336 C=CCCCCCCCSCCC#N 62a_100012355270_100011215226 [0,2,0,0,0,0|1,0,1]=4 7199 B13R0.336 C=CCCCCCCCSCCC=C 62a_100000754431_100012355270 [0,2,0,0,0,0|1,0,0]=3 7200 B13R0.336 C=CCCCCCCCSCCC=C 62a_100012355270_100000754431 [0,2,0,0,0,0|1,0,0]=3 7201 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [0,2,0,0,0,0|1,0,1]=4 7202 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [0,2,0,0,0,0|1,0,1]=4 7203 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [0,2,0,0,0,0|1,0,1]=4 7204 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [0,2,0,0,0,0|1,0,1]=4 7205 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [0,2,0,0,0,0|0,0,2]=4 7206 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [0,2,0,0,0,0|0,0,2]=4 7207 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [0,2,0,0,0,0|0,0,2]=4 7208 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [0,2,0,0,0,0|0,0,2]=4 7209 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [0,2,0,0,0,0|0,1,1]=4 7210 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [0,2,0,0,0,0|0,1,1]=4 7211 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [0,2,0,0,0,0|1,0,1]=4 7212 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [0,2,0,0,0,0|1,0,1]=4 7213 B13R0.336 C=CCCCCCCCSCSC#N 62a_100000211825_100012355270 [0,2,0,0,0,0|1,0,1]=4 7214 B13R0.336 C=CCCCCCCCSCSC#N 62a_100012355270_100000211825 [0,2,0,0,0,0|1,0,1]=4 7215 B13R0.336 C=CCCCCCCNCCCC=C 2230a_100000700776_100011215473 [0,2,0,0,0,0|1,0,0]=3 7216 B13R0.336 C=CCCCCCCNCCCC=C 34a_100000700776_100011215473 [0,2,0,0,0,0|1,0,0]=3 7217 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [0,2,0,0,0,0|1,0,1]=4 7218 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [0,2,0,0,0,0|0,0,2]=4 7219 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [0,2,0,0,0,0|0,0,2]=4 7220 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [0,2,0,0,0,0|0,0,2]=4 7221 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [0,2,0,0,0,0|0,1,1]=4 7222 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [0,2,0,0,0,0|1,0,1]=4 7223 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [0,2,0,0,0,0|1,0,1]=4 7224 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [0,2,0,0,0,0|1,0,1]=4 7225 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [0,2,0,0,0,0|1,0,1]=4 7226 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 7227 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 7228 B13R0.336 C=CCCCCCCOCC/C=C/C 34a_100016278192_100011215473 [0,2,0,0,0,0|1,0,0]=3 7229 B13R0.336 C=CCCCCCCOCCC#CC 34a_100000750427_100011215473 [0,2,0,0,0,0|1,0,1]=4 7230 B13R0.336 C=CCCCCCCOCCCC#N 7a_200011216477_100000687738 [0,2,0,0,0,0|1,0,1]=4 7231 B13R0.336 C=CCCCCCCOCCCC=C 34a_100000758997_100011215473 [0,2,0,0,0,0|1,0,0]=3 7232 B13R0.336 C=CCCCCCCOCCCC=C 34a_200011216477_100000757094 [0,2,0,0,0,0|1,0,0]=3 7233 B13R0.336 C=CCCCCCCOCCCC=C 7a_100000758997_100011215473 [0,2,0,0,0,0|1,0,0]=3 7234 B13R0.336 C=CCCCCCCOCCCC=C 7a_200011216477_100000757094 [0,2,0,0,0,0|1,0,0]=3 7235 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [0,2,0,0,0,0|0,0,0]=2 7236 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [0,2,0,0,0,0|1,0,1]=4 7237 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [0,2,0,0,0,0|1,0,1]=4 7238 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [0,2,0,0,0,0|1,0,1]=4 7239 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [0,2,0,0,0,0|1,0,1]=4 7240 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [0,2,0,0,0,0|1,0,1]=4 7241 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [0,2,0,0,0,0|1,0,1]=4 7242 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [0,2,0,0,0,0|1,0,1]=4 7243 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [0,2,0,0,0,0|1,0,1]=4 7244 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [0,2,0,0,0,0|1,0,1]=4 7245 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [0,2,0,0,0,0|1,0,1]=4 7246 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [0,2,0,0,0,0|1,0,1]=4 7247 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [0,2,0,0,0,0|1,0,1]=4 7248 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [0,2,0,0,0,0|1,0,1]=4 7249 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [0,2,0,0,0,0|0,0,2]=4 7250 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [0,2,0,0,0,0|0,0,2]=4 7251 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [0,2,0,0,0,0|1,0,1]=4 7252 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [0,2,0,0,0,0|0,0,2]=4 7253 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [0,2,0,0,0,0|0,0,2]=4 7254 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [0,2,0,0,0,0|0,0,2]=4 7255 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [0,2,0,0,0,0|0,1,1]=4 7256 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [0,2,0,0,0,0|0,1,1]=4 7257 B13R0.336 C=CCCCCCCOCCOC=C 34a_100000033082_100011215473 [0,2,0,0,0,0|1,0,0]=3 7258 B13R0.336 C=CCCCCCCOCCOC=C 34a_200011216477_100000039644 [0,2,0,0,0,0|1,0,0]=3 7259 B13R0.336 C=CCCCCCCOCCOC=C 7a_200011216477_100000039644 [0,2,0,0,0,0|1,0,0]=3 7260 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [0,2,0,0,0,0|1,0,1]=4 7261 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [0,2,0,0,0,0|1,0,1]=4 7262 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [0,2,0,0,0,0|1,0,1]=4 7263 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [0,2,0,0,0,0|1,0,1]=4 7264 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [0,2,0,0,0,0|1,0,1]=4 7265 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [0,2,0,0,0,0|1,0,1]=4 7266 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [0,2,0,0,0,0|1,0,1]=4 7267 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [0,2,0,0,0,0|1,0,1]=4 7268 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [0,2,0,0,0,0|1,0,1]=4 7269 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [0,2,0,0,0,0|1,0,1]=4 7270 B13R0.336 C=CCCCCCCSCCCC#N 62a_100000687738_100011215473 [0,2,0,0,0,0|1,0,1]=4 7271 B13R0.336 C=CCCCCCCSCCCC#N 62a_100011215473_100000687738 [0,2,0,0,0,0|1,0,1]=4 7272 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011215473_100000757094 [0,2,0,0,0,0|1,0,0]=3 7273 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011713584_100011215473 [0,2,0,0,0,0|1,0,0]=3 7274 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [0,2,0,0,0,0|0,0,0]=2 7275 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [0,2,0,0,0,0|0,0,0]=2 7276 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [0,2,0,0,0,0|1,0,1]=4 7277 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [0,2,0,0,0,0|1,0,1]=4 7278 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [0,2,0,0,0,0|1,0,1]=4 7279 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [0,2,0,0,0,0|1,0,1]=4 7280 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [0,2,0,0,0,0|0,0,2]=4 7281 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [0,2,0,0,0,0|0,0,2]=4 7282 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [0,2,0,0,0,0|0,0,2]=4 7283 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [0,2,0,0,0,0|0,0,2]=4 7284 B13R0.336 C=CCCCCCCSCCOC=C 62a_100000039644_100011215473 [0,2,0,0,0,0|1,0,0]=3 7285 B13R0.336 C=CCCCCCCSCCOC=C 62a_100011215473_100000039644 [0,2,0,0,0,0|1,0,0]=3 7286 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [0,2,0,0,0,0|1,0,1]=4 7287 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [0,2,0,0,0,0|1,0,1]=4 7288 B13R0.336 C=CCCCCCCSCCSC#N 62a_100000034367_100011215473 [0,2,0,0,0,0|1,0,1]=4 7289 B13R0.336 C=CCCCCCCSCCSC#N 62a_100011215473_100000034367 [0,2,0,0,0,0|1,0,1]=4 7290 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [0,2,0,0,0,0|1,0,1]=4 7291 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [0,2,0,0,0,0|1,0,1]=4 7292 B13R0.336 C=CCCCCCNCCCCC=C 2230a_100000703577_100000700193 [0,2,0,0,0,0|1,0,0]=3 7293 B13R0.336 C=CCCCCCNCCCCC=C 34a_100000703577_100000700193 [0,2,0,0,0,0|1,0,0]=3 7294 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [0,2,0,0,0,0|1,0,1]=4 7295 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [0,2,0,0,0,0|0,0,2]=4 7296 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [0,2,0,0,0,0|0,0,2]=4 7297 B13R0.336 C=CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000700193 [0,2,0,0,0,0|2,0,0]=4 7298 B13R0.336 C=CCCCCCNCCCOC=C 2230a_100000210767_100000700193 [0,2,0,0,0,0|1,0,0]=3 7299 B13R0.336 C=CCCCCCNCCCOC=C 34a_100000210767_100000700193 [0,2,0,0,0,0|1,0,0]=3 7300 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [0,2,0,0,0,0|1,0,1]=4 7301 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [0,2,0,0,0,0|1,0,1]=4 7302 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [0,2,0,0,0,0|1,0,1]=4 7303 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [0,2,0,0,0,0|1,0,1]=4 7304 B13R0.336 C=CCCCCCNCCOCCO 2230a_100000211614_100000700193 [0,2,0,0,0,0|0,0,2]=4 7305 B13R0.336 C=CCCCCCNCCOCCO 34a_100000211614_100000700193 [0,2,0,0,0,0|0,0,2]=4 7306 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [0,2,0,0,0,0|1,0,1]=4 7307 B13R0.336 C=CCCCCCNCCSCCO 2230a_100011219999_100000700193 [0,2,0,0,0,0|0,0,2]=4 7308 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 7309 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 7310 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 7311 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 7312 B13R0.336 C=CCCCCCOCCC=C=CC 34a_100011020354_100000700193 [0,2,0,0,0,0|1,0,1]=4 7313 B13R0.336 C=CCCCCCOCCCC=CC 34a_100020645299_100000700193 [0,2,0,0,0,0|1,0,0]=3 7314 B13R0.336 C=CCCCCCOCCCCC#N 7a_100011216702_100000211819 [0,2,0,0,0,0|1,0,1]=4 7315 B13R0.336 C=CCCCCCOCCCCC=C 34a_100000766645_100000700193 [0,2,0,0,0,0|1,0,0]=3 7316 B13R0.336 C=CCCCCCOCCCCC=C 34a_100011216702_100011215482 [0,2,0,0,0,0|1,0,0]=3 7317 B13R0.336 C=CCCCCCOCCCCC=C 7a_100000766645_100000700193 [0,2,0,0,0,0|1,0,0]=3 7318 B13R0.336 C=CCCCCCOCCCCC=C 7a_100011216702_100011215482 [0,2,0,0,0,0|1,0,0]=3 7319 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [0,2,0,0,0,0|0,0,0]=2 7320 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [0,2,0,0,0,0|1,0,1]=4 7321 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [0,2,0,0,0,0|1,0,1]=4 7322 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [0,2,0,0,0,0|1,0,1]=4 7323 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [0,2,0,0,0,0|1,0,1]=4 7324 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [0,2,0,0,0,0|1,0,1]=4 7325 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [0,2,0,0,0,0|1,0,1]=4 7326 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [0,2,0,0,0,0|1,0,1]=4 7327 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [0,2,0,0,0,0|1,0,1]=4 7328 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [0,2,0,0,0,0|1,0,1]=4 7329 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [0,2,0,0,0,0|1,0,1]=4 7330 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [0,2,0,0,0,0|1,0,1]=4 7331 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [0,2,0,0,0,0|1,0,1]=4 7332 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [0,2,0,0,0,0|1,0,1]=4 7333 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [0,2,0,0,0,0|0,0,2]=4 7334 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [0,2,0,0,0,0|0,0,2]=4 7335 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [0,2,0,0,0,0|0,0,2]=4 7336 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [0,2,0,0,0,0|0,0,2]=4 7337 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [0,2,0,0,0,0|0,0,2]=4 7338 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [0,2,0,0,0,0|0,1,1]=4 7339 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [0,2,0,0,0,0|0,1,1]=4 7340 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [0,2,0,0,0,0|1,0,1]=4 7341 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [0,2,0,0,0,0|1,0,1]=4 7342 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [0,2,0,0,0,0|1,0,1]=4 7343 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [0,2,0,0,0,0|1,0,1]=4 7344 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [0,2,0,0,0,0|1,0,1]=4 7345 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [0,2,0,0,0,0|1,0,1]=4 7346 B13R0.336 C=CCCCCCOCCOCC#N 7a_100011216702_200000047693 [0,2,0,0,0,0|1,0,1]=4 7347 B13R0.336 C=CCCCCCOCCOCC=C 34a_100000037705_100000700193 [0,2,0,0,0,0|1,0,0]=3 7348 B13R0.336 C=CCCCCCOCCOCC=C 7a_100000037705_100000700193 [0,2,0,0,0,0|1,0,0]=3 7349 B13R0.336 C=CCCCCCOCCOCCBr 34a_100000692535_100000700193 [0,2,0,0,0,0|1,0,1]=4 7350 B13R0.336 C=CCCCCCOCCOCCBr 7a_100000692535_100000700193 [0,2,0,0,0,0|1,0,1]=4 7351 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [0,2,0,0,0,0|1,0,1]=4 7352 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [0,2,0,0,0,0|1,0,1]=4 7353 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [0,2,0,0,0,0|1,0,1]=4 7354 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [0,2,0,0,0,0|1,0,1]=4 7355 B13R0.336 C=CCCCCCOCCOCCCl 34a_100011215305_100000700193 [0,2,0,0,0,0|1,0,1]=4 7356 B13R0.336 C=CCCCCCOCCOCCCl 7a_100011215305_100000700193 [0,2,0,0,0,0|1,0,1]=4 7357 B13R0.336 C=CCCCCCOCCOCCF 34a_200015357709_100000700193 [0,2,0,0,0,0|1,0,1]=4 7358 B13R0.336 C=CCCCCCOCCOCCF 7a_200015357709_100000700193 [0,2,0,0,0,0|1,0,1]=4 7359 B13R0.336 C=CCCCCCOCCOCCI 34a_100012149058_100000700193 [0,2,0,0,0,0|1,0,1]=4 7360 B13R0.336 C=CCCCCCOCCOCCI 7a_100012149058_100000700193 [0,2,0,0,0,0|1,0,1]=4 7361 B13R0.336 C=CCCCCCOCCOCCN 34a_100000211614_100000700193 [0,2,0,0,0,0|1,0,1]=4 7362 B13R0.336 C=CCCCCCOCCOCCO 34a_100011216702_100000692535 [0,2,0,0,0,0|0,0,2]=4 7363 B13R0.336 C=CCCCCCOCCOCCO 7a_100011216702_100011215305 [0,2,0,0,0,0|0,0,2]=4 7364 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [0,2,0,0,0,0|1,0,1]=4 7365 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [0,2,0,0,0,0|1,0,1]=4 7366 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [0,2,0,0,0,0|1,0,1]=4 7367 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [0,2,0,0,0,0|1,0,1]=4 7368 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [0,2,0,0,0,0|1,0,1]=4 7369 B13R0.336 C=CCCCCCSCCCCC#N 62a_100000700193_100000211819 [0,2,0,0,0,0|1,0,1]=4 7370 B13R0.336 C=CCCCCCSCCCCC#N 62a_100011219923_100000700193 [0,2,0,0,0,0|1,0,1]=4 7371 B13R0.336 C=CCCCCCSCCCCC=C 62a_100000700193_100011215482 [0,2,0,0,0,0|1,0,0]=3 7372 B13R0.336 C=CCCCCCSCCCCC=C 62a_100011215482_100000700193 [0,2,0,0,0,0|1,0,0]=3 7373 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [0,2,0,0,0,0|0,0,0]=2 7374 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [0,2,0,0,0,0|0,0,0]=2 7375 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [0,2,0,0,0,0|1,0,1]=4 7376 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [0,2,0,0,0,0|1,0,1]=4 7377 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [0,2,0,0,0,0|1,0,1]=4 7378 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [0,2,0,0,0,0|1,0,1]=4 7379 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [0,2,0,0,0,0|0,0,2]=4 7380 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [0,2,0,0,0,0|0,0,2]=4 7381 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [0,2,0,0,0,0|0,0,2]=4 7382 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [0,2,0,0,0,0|0,0,2]=4 7383 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [0,2,0,0,0,0|1,0,1]=4 7384 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [0,2,0,0,0,0|1,0,1]=4 7385 B13R0.336 C=CCCCCCSCCOCC#N 62a_100000700193_200000047693 [0,2,0,0,0,0|1,0,1]=4 7386 B13R0.336 C=CCCCCCSCCOCC#N 62a_200000047693_100000700193 [0,2,0,0,0,0|1,0,1]=4 7387 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [0,2,0,0,0,0|1,0,1]=4 7388 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [0,2,0,0,0,0|1,0,1]=4 7389 B13R0.336 C=CCCCCCSCCOCCO 62a_100000700193_100011215305 [0,2,0,0,0,0|0,0,2]=4 7390 B13R0.336 C=CCCCCCSCCOCCO 62a_100011215305_100000700193 [0,2,0,0,0,0|0,0,2]=4 7391 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [0,2,0,0,0,0|1,0,1]=4 7392 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [0,2,0,0,0,0|1,0,1]=4 7393 B13R0.336 C=CCCCCCSCOCCOC 62a_100000231047_100000700193 [0,2,0,0,0,0|2,0,0]=4 7394 B13R0.336 C=CCCCCCSCOCCOC 62a_100000700193_100000231047 [0,2,0,0,0,0|2,0,0]=4 7395 B13R0.336 C=CCCCCNCCCCCC#N 2230a_100000703577_100009813376 [0,2,0,0,0,0|1,0,1]=4 7396 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [0,2,0,0,0,0|0,0,0]=2 7397 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [0,2,0,0,0,0|1,0,1]=4 7398 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [0,2,0,0,0,0|1,0,1]=4 7399 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [0,2,0,0,0,0|1,0,1]=4 7400 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [0,2,0,0,0,0|1,0,1]=4 7401 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [0,2,0,0,0,0|1,0,1]=4 7402 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [0,2,0,0,0,0|0,0,2]=4 7403 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [0,2,0,0,0,0|0,0,2]=4 7404 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [0,2,0,0,0,0|0,0,2]=4 7405 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [0,2,0,0,0,0|0,0,2]=4 7406 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [0,2,0,0,0,0|0,0,2]=4 7407 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [0,2,0,0,0,0|0,0,2]=4 7408 B13R0.336 C=CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100011215482 [0,2,0,0,0,0|2,0,0]=4 7409 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [0,2,0,0,0,0|1,0,1]=4 7410 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [0,2,0,0,0,0|1,0,1]=4 7411 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [0,2,0,0,0,0|1,0,1]=4 7412 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [0,2,0,0,0,0|1,0,1]=4 7413 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000703577_100000695917 [0,2,0,0,0,0|2,0,0]=4 7414 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000745349_100011215482 [0,2,0,0,0,0|2,0,0]=4 7415 B13R0.336 C=CCCCCNCCOCCOC 34a_100000703577_100000695917 [0,2,0,0,0,0|2,0,0]=4 7416 B13R0.336 C=CCCCCNCCOCCOC 34a_100000745349_100011215482 [0,2,0,0,0,0|2,0,0]=4 7417 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [0,2,0,0,0,0|1,0,1]=4 7418 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 7419 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 7420 B13R0.336 C=CCCCCOCCCCCC#N 7a_100000766645_100009813376 [0,2,0,0,0,0|1,0,1]=4 7421 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [0,2,0,0,0,0|0,0,0]=2 7422 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [0,2,0,0,0,0|1,0,1]=4 7423 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [0,2,0,0,0,0|1,0,1]=4 7424 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [0,2,0,0,0,0|1,0,1]=4 7425 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [0,2,0,0,0,0|1,0,1]=4 7426 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [0,2,0,0,0,0|1,0,1]=4 7427 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [0,2,0,0,0,0|1,0,1]=4 7428 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [0,2,0,0,0,0|1,0,1]=4 7429 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [0,2,0,0,0,0|1,0,1]=4 7430 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [0,2,0,0,0,0|1,0,1]=4 7431 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [0,2,0,0,0,0|1,0,1]=4 7432 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [0,2,0,0,0,0|1,0,1]=4 7433 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [0,2,0,0,0,0|1,0,1]=4 7434 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [0,2,0,0,0,0|1,0,1]=4 7435 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [0,2,0,0,0,0|0,0,2]=4 7436 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [0,2,0,0,0,0|0,0,2]=4 7437 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [0,2,0,0,0,0|1,0,1]=4 7438 B13R0.336 C=CCCCCOCCCCOC=C 34a_100000031558_100011215482 [0,2,0,0,0,0|1,0,0]=3 7439 B13R0.336 C=CCCCCOCCCCOC=C 7a_100000031558_100011215482 [0,2,0,0,0,0|1,0,0]=3 7440 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,2,0,0,0,0|1,0,1]=4 7441 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,2,0,0,0,0|1,0,1]=4 7442 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,2,0,0,0,0|1,0,1]=4 7443 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,2,0,0,0,0|1,0,1]=4 7444 B13R0.336 C=CCCCCOCCOCCNC 34a_100000228057_100011215482 [0,2,0,0,0,0|2,0,0]=4 7445 B13R0.336 C=CCCCCOCCOCCOC 34a_100000766645_100000695917 [0,2,0,0,0,0|2,0,0]=4 7446 B13R0.336 C=CCCCCOCCOCCOC 34a_100011215163_100011215482 [0,2,0,0,0,0|2,0,0]=4 7447 B13R0.336 C=CCCCCOCCOCCOC 7a_100000766645_100000695917 [0,2,0,0,0,0|2,0,0]=4 7448 B13R0.336 C=CCCCCOCCOCCOC 7a_100011215163_100011215482 [0,2,0,0,0,0|2,0,0]=4 7449 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [0,2,0,0,0,0|1,0,1]=4 7450 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [0,2,0,0,0,0|1,0,1]=4 7451 B13R0.336 C=CCCCCSCCCCCC#N 62a_100009813376_100011215482 [0,2,0,0,0,0|1,0,1]=4 7452 B13R0.336 C=CCCCCSCCCCCC#N 62a_100011215482_100009813376 [0,2,0,0,0,0|1,0,1]=4 7453 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [0,2,0,0,0,0|0,0,0]=2 7454 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [0,2,0,0,0,0|0,0,0]=2 7455 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [0,2,0,0,0,0|1,0,1]=4 7456 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [0,2,0,0,0,0|1,0,1]=4 7457 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [0,2,0,0,0,0|1,0,1]=4 7458 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [0,2,0,0,0,0|1,0,1]=4 7459 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [0,2,0,0,0,0|0,0,2]=4 7460 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [0,2,0,0,0,0|0,0,2]=4 7461 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [0,2,0,0,0,0|1,0,1]=4 7462 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [0,2,0,0,0,0|1,0,1]=4 7463 B13R0.336 C=CCCCCSCCOCCOC 62a_100000695917_100011215482 [0,2,0,0,0,0|2,0,0]=4 7464 B13R0.336 C=CCCCCSCCOCCOC 62a_100011215482_100000695917 [0,2,0,0,0,0|2,0,0]=4 7465 B13R0.336 C=CCCCNCCCCCCC#N 2230a_100000700776_100009813337 [0,2,0,0,0,0|1,0,1]=4 7466 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [0,2,0,0,0,0|1,0,1]=4 7467 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [0,2,0,0,0,0|1,0,1]=4 7468 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [0,2,0,0,0,0|1,0,1]=4 7469 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [0,2,0,0,0,0|1,0,1]=4 7470 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [0,2,0,0,0,0|0,0,2]=4 7471 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [0,2,0,0,0,0|0,0,2]=4 7472 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [0,2,0,0,0,0|0,0,2]=4 7473 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [0,2,0,0,0,0|0,0,2]=4 7474 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [0,2,0,0,0,0|0,0,2]=4 7475 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [0,2,0,0,0,0|0,0,2]=4 7476 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [0,2,0,0,0,0|1,0,1]=4 7477 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [0,2,0,0,0,0|1,0,1]=4 7478 B13R0.336 C=CCCCNCCCOCCCO 2230a_100011310245_100011713584 [0,2,0,0,0,0|0,0,2]=4 7479 B13R0.336 C=CCCCNCCCOCCCO 34a_100011310245_100000757094 [0,2,0,0,0,0|0,0,2]=4 7480 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000206027_100011713584 [0,2,0,0,0,0|2,0,0]=4 7481 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000700776_100011216529 [0,2,0,0,0,0|2,0,0]=4 7482 B13R0.336 C=CCCCNCCCOCCOC 34a_100000206027_100000757094 [0,2,0,0,0,0|2,0,0]=4 7483 B13R0.336 C=CCCCNCCCOCCOC 34a_100000700776_100011216529 [0,2,0,0,0,0|2,0,0]=4 7484 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 7485 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 7486 B13R0.336 C=CCCCOCCCCCCC#N 7a_100000758997_100009813337 [0,2,0,0,0,0|1,0,1]=4 7487 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [0,2,0,0,0,0|1,0,1]=4 7488 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [0,2,0,0,0,0|1,0,1]=4 7489 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [0,2,0,0,0,0|1,0,1]=4 7490 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [0,2,0,0,0,0|1,0,1]=4 7491 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [0,2,0,0,0,0|1,0,1]=4 7492 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [0,2,0,0,0,0|1,0,1]=4 7493 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [0,2,0,0,0,0|1,0,1]=4 7494 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [0,2,0,0,0,0|0,0,2]=4 7495 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [0,2,0,0,0,0|0,0,2]=4 7496 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [0,2,0,0,0,0|0,0,2]=4 7497 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [0,2,0,0,0,0|0,0,2]=4 7498 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [0,2,0,0,0,0|0,0,2]=4 7499 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [0,2,0,0,0,0|0,0,2]=4 7500 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [0,2,0,0,0,0|1,0,1]=4 7501 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [0,2,0,0,0,0|1,0,1]=4 7502 B13R0.336 C=CCCCOCCCOCCCN 34a_100011310245_100000757094 [0,2,0,0,0,0|1,0,1]=4 7503 B13R0.336 C=CCCCOCCCOCCOC 34a_100000758997_100011216529 [0,2,0,0,0,0|2,0,0]=4 7504 B13R0.336 C=CCCCOCCCOCCOC 7a_100000758997_100011216529 [0,2,0,0,0,0|2,0,0]=4 7505 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [0,2,0,0,0,0|1,0,1]=4 7506 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [0,2,0,0,0,0|1,0,1]=4 7507 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [0,2,0,0,0,0|1,0,1]=4 7508 B13R0.336 C=CCCCOCCOCCOC=C 34a_100000039918_100000757094 [0,2,0,0,0,0|2,0,0]=4 7509 B13R0.336 C=CCCCOCCOCCOC=C 7a_100000039918_100000757094 [0,2,0,0,0,0|2,0,0]=4 7510 B13R0.336 C=CCCCSCCCCCCC#N 62a_100009813337_100000757094 [0,2,0,0,0,0|1,0,1]=4 7511 B13R0.336 C=CCCCSCCCCCCC#N 62a_100011713584_100009813337 [0,2,0,0,0,0|1,0,1]=4 7512 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [0,2,0,0,0,0|1,0,1]=4 7513 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [0,2,0,0,0,0|1,0,1]=4 7514 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [0,2,0,0,0,0|0,0,2]=4 7515 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [0,2,0,0,0,0|0,0,2]=4 7516 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [0,2,0,0,0,0|0,0,2]=4 7517 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [0,2,0,0,0,0|0,0,2]=4 7518 B13R0.336 C=CCCCSCCCOCCOC 62a_100011216529_100000757094 [0,2,0,0,0,0|2,0,0]=4 7519 B13R0.336 C=CCCCSCCCOCCOC 62a_100011713584_100011216529 [0,2,0,0,0,0|2,0,0]=4 7520 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [0,2,0,0,0,0|1,0,1]=4 7521 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [0,2,0,0,0,0|1,0,1]=4 7522 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [0,2,0,0,0,0|1,0,1]=4 7523 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [0,2,0,0,0,0|1,0,1]=4 7524 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [0,2,0,0,0,0|0,0,2]=4 7525 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [0,2,0,0,0,0|0,0,2]=4 7526 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [0,2,0,0,0,0|0,0,2]=4 7527 B13R0.336 C=CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000754431 [0,2,0,0,0,0|2,0,0]=4 7528 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 7529 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 7530 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [0,2,0,0,0,0|1,0,1]=4 7531 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [0,2,0,0,0,0|1,0,1]=4 7532 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [0,2,0,0,0,0|1,0,1]=4 7533 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [0,2,0,0,0,0|1,0,1]=4 7534 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [0,2,0,0,0,0|1,0,1]=4 7535 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [0,2,0,0,0,0|1,0,1]=4 7536 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [0,2,0,0,0,0|1,0,1]=4 7537 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [0,2,0,0,0,0|1,0,1]=4 7538 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [0,2,0,0,0,0|0,0,2]=4 7539 B13R0.336 C=CCCOCCCCCNCCN 34a_103619048469_100000754431 [0,2,0,0,0,0|1,0,1]=4 7540 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [0,2,0,0,0,0|1,0,1]=4 7541 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [0,2,0,0,0,0|1,0,1]=4 7542 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [0,2,0,0,0,0|1,0,1]=4 7543 B13R0.336 C=CCCOCCCOCCCOC 34a_200011215475_100000754431 [0,2,0,0,0,0|2,0,0]=4 7544 B13R0.336 C=CCCOCCCOCCCOC 7a_200011215475_100000754431 [0,2,0,0,0,0|2,0,0]=4 7545 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [0,2,0,0,0,0|1,0,1]=4 7546 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [0,2,0,0,0,0|1,0,1]=4 7547 B13R0.336 C=CCCOCCOCCOCC=C 34a_100000065479_100000754431 [0,2,0,0,0,0|2,0,0]=4 7548 B13R0.336 C=CCCOCCOCCOCC=C 7a_100000065479_100000754431 [0,2,0,0,0,0|2,0,0]=4 7549 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [0,2,0,0,0,0|1,0,1]=4 7550 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [0,2,0,0,0,0|0,0,2]=4 7551 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [0,2,0,0,0,0|0,0,2]=4 7552 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [0,2,0,0,0,0|1,0,1]=4 7553 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [0,2,0,0,0,0|1,0,1]=4 7554 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [0,2,0,0,0,0|1,0,1]=4 7555 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [0,2,0,0,0,0|0,0,2]=4 7556 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [0,2,0,0,0,0|0,0,2]=4 7557 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [0,2,0,0,0,0|0,0,2]=4 7558 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [0,2,0,0,0,0|1,0,1]=4 7559 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [0,2,0,0,0,0|1,0,1]=4 7560 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [0,2,0,0,0,0|1,0,1]=4 7561 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [0,2,0,0,0,0|1,0,1]=4 7562 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [0,2,0,0,0,0|1,0,1]=4 7563 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [0,2,0,0,0,0|1,0,1]=4 7564 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [0,2,0,0,0,0|1,0,1]=4 7565 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [0,2,0,0,0,0|1,0,1]=4 7566 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [0,2,0,0,0,0|0,0,2]=4 7567 B13R0.336 C=CCOCCOCCCCCC#N 7a_100000037705_100009813376 [0,2,0,0,0,0|1,0,1]=4 7568 B13R0.336 C=CCOCCOCCCCCC=O 7a_100000037705_100000139337 [0,2,0,0,0,0|0,0,0]=2 7569 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,2,0,0,0,0|1,0,1]=4 7570 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,2,0,0,0,0|1,0,1]=4 7571 B13R0.336 C=CCOCCOCCCCCCF 34a_100000037705_100015922095 [0,2,0,0,0,0|1,0,1]=4 7572 B13R0.336 C=CCOCCOCCCCCCF 7a_100000037705_100015922095 [0,2,0,0,0,0|1,0,1]=4 7573 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [0,2,0,0,0,0|0,0,2]=4 7574 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [0,2,0,0,0,0|0,0,2]=4 7575 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [0,2,0,0,0,0|1,0,1]=4 7576 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [0,2,0,0,0,0|0,0,2]=4 7577 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [0,2,0,0,0,0|0,0,2]=4 7578 B13R0.336 C=COCCCCOCCCCC#N 7a_100000031558_100000211819 [0,2,0,0,0,0|1,0,1]=4 7579 B13R0.336 C=COCCCCOCCCCC=O 7a_100000031558_100000139335 [0,2,0,0,0,0|0,0,0]=2 7580 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [0,2,0,0,0,0|1,0,1]=4 7581 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [0,2,0,0,0,0|1,0,1]=4 7582 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [0,2,0,0,0,0|1,0,1]=4 7583 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [0,2,0,0,0,0|1,0,1]=4 7584 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [0,2,0,0,0,0|0,0,2]=4 7585 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [0,2,0,0,0,0|0,0,2]=4 7586 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [0,2,0,0,0,0|2,0,0]=4 7587 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [0,2,0,0,0,0|2,0,0]=4 7588 B13R0.336 C=COCCCNCCCCCC#N 2230a_100000210767_100009813376 [0,2,0,0,0,0|1,0,1]=4 7589 B13R0.336 C=COCCCNCCCCCC=O 2230a_100000210767_100000139337 [0,2,0,0,0,0|0,0,0]=2 7590 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [0,2,0,0,0,0|1,0,1]=4 7591 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [0,2,0,0,0,0|1,0,1]=4 7592 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [0,2,0,0,0,0|1,0,1]=4 7593 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [0,2,0,0,0,0|1,0,1]=4 7594 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [0,2,0,0,0,0|0,0,2]=4 7595 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [0,2,0,0,0,0|0,0,2]=4 7596 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,2,0,0,0,0|1,0,1]=4 7597 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,2,0,0,0,0|1,0,1]=4 7598 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [0,2,0,0,0,0|0,0,2]=4 7599 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [0,2,0,0,0,0|0,0,2]=4 7600 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [0,2,0,0,0,0|1,0,1]=4 7601 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [0,2,0,0,0,0|1,0,1]=4 7602 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,2,0,0,0,0|1,0,1]=4 7603 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,2,0,0,0,0|1,0,1]=4 7604 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,2,0,0,0,0|1,0,1]=4 7605 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [0,2,0,0,0,0|1,0,1]=4 7606 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [0,2,0,0,0,0|0,0,2]=4 7607 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,2,0,0,0,0|2,0,0]=4 7608 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,2,0,0,0,0|2,0,0]=4 7609 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,2,0,0,0,0|2,0,0]=4 7610 B13R0.336 C=COCCOCCOCCCC=O 7a_100000039918_200011292268 [0,2,0,0,0,0|1,0,0]=3 7611 B13R0.336 C=COCCSCCCCCCC#N 62a_100000039644_100009813337 [0,2,0,0,0,0|1,0,1]=4 7612 B13R0.336 C=COCCSCCCCCCC#N 62a_100009813337_100000039644 [0,2,0,0,0,0|1,0,1]=4 7613 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,2,0,0,0,0|1,0,1]=4 7614 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,2,0,0,0,0|1,0,1]=4 7615 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [0,2,0,0,0,0|0,0,2]=4 7616 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [0,2,0,0,0,0|0,0,2]=4 7617 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [0,2,0,0,0,0|2,0,0]=4 7618 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [0,2,0,0,0,0|2,0,0]=4 7619 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [0,2,0,0,0,0|1,0,0]=3 7620 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [0,2,0,0,0,0|1,0,0]=3 7621 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [0,2,0,0,0,0|1,0,0]=3 7622 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [0,2,0,0,0,0|1,0,0]=3 7623 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [0,2,0,0,0,0|1,0,0]=3 7624 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [0,2,0,0,0,0|1,0,1]=4 7625 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [0,2,0,0,0,0|1,0,1]=4 7626 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [0,2,0,0,0,0|0,0,2]=4 7627 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [0,2,0,0,0,0|1,0,1]=4 7628 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [0,2,0,0,0,0|1,0,1]=4 7629 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [0,2,0,0,0,0|0,0,2]=4 7630 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [0,2,0,0,0,0|0,0,2]=4 7631 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [0,2,0,0,0,0|1,0,1]=4 7632 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [0,2,0,0,0,0|1,0,1]=4 7633 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [0,2,0,0,0,0|1,0,1]=4 7634 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [0,2,0,0,0,0|1,0,1]=4 7635 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [0,2,0,0,0,0|1,0,1]=4 7636 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [0,2,0,0,0,0|1,0,1]=4 7637 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [0,2,0,0,0,0|1,0,1]=4 7638 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [0,2,0,0,0,0|1,0,1]=4 7639 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [0,2,0,0,0,0|0,0,2]=4 7640 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [0,2,0,0,0,0|0,0,2]=4 7641 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [0,2,0,0,0,0|0,0,2]=4 7642 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [0,2,0,0,0,0|0,0,2]=4 7643 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [0,2,0,0,0,0|0,0,2]=4 7644 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [0,2,0,0,0,0|0,0,2]=4 7645 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [0,2,0,0,0,0|0,0,2]=4 7646 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [0,2,0,0,0,0|0,0,2]=4 7647 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [0,2,0,0,0,0|0,0,2]=4 7648 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [0,2,0,0,0,0|0,0,2]=4 7649 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [0,2,0,0,0,0|0,0,2]=4 7650 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [0,2,0,0,0,0|0,0,2]=4 7651 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [0,2,0,0,0,0|0,0,2]=4 7652 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [0,2,0,0,0,0|0,0,2]=4 7653 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [0,2,0,0,0,0|0,0,2]=4 7654 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [0,2,0,0,0,0|0,0,2]=4 7655 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [0,2,0,0,0,0|0,0,2]=4 7656 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [0,2,0,0,0,0|0,0,2]=4 7657 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [0,2,0,0,0,0|0,0,2]=4 7658 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [0,2,0,0,0,0|0,0,2]=4 7659 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [0,2,0,0,0,0|0,0,2]=4 7660 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [0,2,0,0,0,0|0,0,2]=4 7661 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,2,0,0,0,0|0,0,2]=4 7662 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [0,2,0,0,0,0|0,0,2]=4 7663 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [0,2,0,0,0,0|0,0,2]=4 7664 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [0,2,0,0,0,0|0,0,2]=4 7665 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [0,2,0,0,0,0|0,0,2]=4 7666 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [0,2,0,0,0,0|0,0,2]=4 7667 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [0,2,0,0,0,0|0,0,2]=4 7668 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [0,2,0,0,0,0|0,0,2]=4 7669 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [0,2,0,0,0,0|0,0,2]=4 7670 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [0,2,0,0,0,0|0,0,2]=4 7671 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [0,2,0,0,0,0|0,0,2]=4 7672 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [0,2,0,0,0,0|0,0,2]=4 7673 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [0,2,0,0,0,0|0,0,2]=4 7674 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [0,2,0,0,0,0|0,0,2]=4 7675 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [0,2,0,0,0,0|0,0,2]=4 7676 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [0,2,0,0,0,0|0,0,2]=4 7677 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [0,2,0,0,0,0|0,0,2]=4 7678 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [0,2,0,0,0,0|0,0,2]=4 7679 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [0,2,0,0,0,0|0,0,2]=4 7680 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [0,2,0,0,0,0|0,0,2]=4 7681 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [0,2,0,0,0,0|0,0,2]=4 7682 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [0,2,0,0,0,0|0,0,2]=4 7683 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [0,2,0,0,0,0|0,0,2]=4 7684 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [0,2,0,0,0,0|0,0,2]=4 7685 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [0,2,0,0,0,0|0,0,2]=4 7686 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [0,2,0,0,0,0|1,0,1]=4 7687 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [0,2,0,0,0,0|1,0,1]=4 7688 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [0,2,0,0,0,0|1,0,1]=4 7689 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [0,2,0,0,0,0|1,0,1]=4 7690 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [0,2,0,0,0,0|1,0,1]=4 7691 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [0,2,0,0,0,0|1,0,1]=4 7692 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [0,2,0,0,0,0|1,0,1]=4 7693 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [0,2,0,0,0,0|1,0,1]=4 7694 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [0,2,0,0,0,0|1,0,1]=4 7695 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [0,2,0,0,0,0|0,0,2]=4 7696 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [0,2,0,0,0,0|0,0,2]=4 7697 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [0,2,0,0,0,0|0,0,2]=4 7698 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [0,2,0,0,0,0|0,0,2]=4 7699 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [0,2,0,0,0,0|0,0,2]=4 7700 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [0,2,0,0,0,0|0,0,2]=4 7701 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [0,2,0,0,0,0|0,0,2]=4 7702 B13R0.336 N#CCOCCSCCCCCC=O 62a_100000139337_200000047693 [0,2,0,0,0,0|1,0,1]=4 7703 B13R0.336 N#CCOCCSCCCCCC=O 62a_200000047693_100000139337 [0,2,0,0,0,0|1,0,1]=4 7704 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [0,2,0,0,0,0|0,0,2]=4 7705 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [0,2,0,0,0,0|0,0,2]=4 7706 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [0,2,0,0,0,0|1,0,1]=4 7707 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [0,2,0,0,0,0|1,0,1]=4 7708 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [0,2,0,0,0,0|0,0,2]=4 7709 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [0,2,0,0,0,0|0,0,2]=4 7710 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [0,2,0,0,0,0|0,0,2]=4 7711 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [0,2,0,0,0,0|1,0,1]=4 7712 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [0,2,0,0,0,0|1,0,1]=4 7713 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [0,2,0,0,0,0|1,0,1]=4 7714 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [0,2,0,0,0,0|1,0,1]=4 7715 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [0,2,0,0,0,0|0,0,1]=3 7716 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [0,2,0,0,0,0|0,0,1]=3 7717 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [0,2,0,0,0,0|0,0,2]=4 7718 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [0,2,0,0,0,0|0,0,2]=4 7719 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [0,2,0,0,0,0|0,0,2]=4 7720 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [0,2,0,0,0,0|0,0,2]=4 7721 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [0,2,0,0,0,0|1,0,1]=4 7722 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [0,2,0,0,0,0|1,0,1]=4 7723 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [0,2,0,0,0,0|0,0,2]=4 7724 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [0,2,0,0,0,0|0,0,2]=4 7725 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [0,2,0,0,0,0|0,0,2]=4 7726 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [0,2,0,0,0,0|0,0,2]=4 7727 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [0,2,0,0,0,0|0,0,2]=4 7728 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [0,2,0,0,0,0|0,0,2]=4 7729 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [0,2,0,0,0,0|0,0,2]=4 7730 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [0,2,0,0,0,0|0,0,2]=4 7731 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [0,2,0,0,0,0|0,0,2]=4 7732 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [0,2,0,0,0,0|1,0,1]=4 7733 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [0,2,0,0,0,0|0,0,2]=4 7734 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [0,2,0,0,0,0|0,0,2]=4 7735 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [0,2,0,0,0,0|0,0,2]=4 7736 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [0,2,0,0,0,0|0,0,2]=4 7737 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [0,2,0,0,0,0|0,0,2]=4 7738 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [0,2,0,0,0,0|0,0,2]=4 7739 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [0,2,0,0,0,0|0,0,2]=4 7740 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [0,2,0,0,0,0|0,0,2]=4 7741 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [0,2,0,0,0,0|0,0,2]=4 7742 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [0,2,0,0,0,0|0,0,2]=4 7743 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [0,2,0,0,0,0|0,0,2]=4 7744 B13R0.336 [N-]=[N+]=NCCCCNCCCCC=O 2230a_100000101370_100000139335 [0,2,0,0,0,0|2,0,0]=4 7745 B13R0.336 [N-]=[N+]=NCCCNCCCCCC=O 2230a_100000744732_100000139337 [0,2,0,0,0,0|2,0,0]=4 7746 B13R0.338 C#CCCCC(=O)CCCCCC=C 1458a_100000690238_100000700193 [0,2,0,0,0,0|1,0,1]=4 7747 B13R0.338 C#CCCCC(=O)CCCCCC=C 1458a_100011934241_100000731252 [0,2,0,0,0,0|1,0,1]=4 7748 B13R0.338 C#CCCCCCC(=O)CCCC=C 1458a_100000694772_100000757094 [0,2,0,0,0,0|1,0,1]=4 7749 B13R0.338 C#CCCCCCC(=O)CCCC=C 1458a_100000766728_100012094781 [0,2,0,0,0,0|1,0,1]=4 7750 B13R0.338 C=CCCCC(=O)CCCCCC#N 1458a_100000766728_100009813376 [0,2,0,0,0,0|1,0,1]=4 7751 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,2,0,0,0,0|1,0,1]=4 7752 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,2,0,0,0,0|1,0,1]=4 7753 B13R0.338 C=CCCCC(=O)CCCCCCF 1458a_100000766728_100015922095 [0,2,0,0,0,0|1,0,1]=4 7754 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100000766728_100000766143 [0,2,0,0,0,0|0,0,2]=4 7755 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100011996774_100000757094 [0,2,0,0,0,0|0,0,2]=4 7756 B13R0.338 C=CCCCC(=O)CCCCCOC 1458a_100011935119_100000757094 [0,2,0,0,0,0|2,0,0]=4 7757 B13R0.338 C=CCCCCCC(=O)CCCC#N 1458a_100000075515_100000700193 [0,2,0,0,0,0|1,0,1]=4 7758 B13R0.338 C=CCCCCCC(=O)CCCC#N 1458a_100011934241_100000211468 [0,2,0,0,0,0|1,0,1]=4 7759 B13R0.338 C=CCCCCCC(=O)CCCC=C 1458a_100000766728_100000700193 [0,2,0,0,0,0|1,0,0]=3 7760 B13R0.338 C=CCCCCCC(=O)CCCC=C 1458a_100011934241_100000757094 [0,2,0,0,0,0|1,0,0]=3 7761 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,2,0,0,0,0|1,0,1]=4 7762 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,2,0,0,0,0|1,0,1]=4 7763 B13R0.338 C=CCCCCCC(=O)CCCCF 1458a_100011934241_100000729493 [0,2,0,0,0,0|1,0,1]=4 7764 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100000695505_100000700193 [0,2,0,0,0,0|0,0,2]=4 7765 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100011934241_100000210776 [0,2,0,0,0,0|0,0,2]=4 7766 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100000741012_100000700193 [0,2,0,0,0,0|2,0,0]=4 7767 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100011934241_100000740836 [0,2,0,0,0,0|2,0,0]=4 7768 B13R0.338 C=CCCCCCC(=O)CCCSC 1458a_100000173376_100000700193 [0,2,0,0,0,0|2,0,0]=4 7769 B13R0.338 C=CCCCCCC(=O)CCOC=C 1458a_100011934241_100000039644 [0,2,0,0,0,0|1,0,1]=4 7770 B13R0.338 C=CCCCCCC(=O)CSCC=C 1458a_100000230395_100000700193 [0,2,0,0,0,0|1,0,1]=4 7771 B13R0.338 C=CCCCCCC(=O)NCCC=C 11a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 7772 B13R0.338 C=CCCCCCC(=O)NCCC=C 1626a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 7773 B13R0.338 C=CCCCCCC(=O)NCCC=C 240690a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 7774 B13R0.338 C=CCCCCCC(=O)NCCC=C 527a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 7775 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [0,2,0,0,0,0|1,0,1]=4 7776 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [0,2,0,0,0,0|1,0,1]=4 7777 B13R0.338 C=CCCCCCN(C)CCCCO 2230a_100000717598_100000700193 [0,2,0,0,0,0|0,0,2]=4 7778 B13R0.338 C=CCCCCCN(C)CCCCO 269982a_100000717598_100000700193 [0,2,0,0,0,0|0,0,2]=4 7779 B13R0.338 C=CCCCCCN(C)CCCOC 2230a_100000224831_100000700193 [0,2,0,0,0,0|2,0,0]=4 7780 B13R0.338 C=CCCCCCN(C)CCCOC 269982a_100000224831_100000700193 [0,2,0,0,0,0|2,0,0]=4 7781 B13R0.338 C=CCCCCNC(=O)CCCC=C 11a_100000703577_100000766728 [0,2,0,0,0,0|1,0,1]=4 7782 B13R0.338 C=CCCCCNC(=O)CCCC=C 1626a_100000703577_100000766728 [0,2,0,0,0,0|1,0,1]=4 7783 B13R0.338 C=CCCCCNC(=O)CCCC=C 240690a_100000703577_100000766728 [0,2,0,0,0,0|1,0,1]=4 7784 B13R0.338 C=CCCCCNC(=O)CCCC=C 527a_100000703577_100000766728 [0,2,0,0,0,0|1,0,1]=4 7785 B13R0.338 C=CCCCCNC(C)CCCC#N 270004a_100000703577_200000032708 [0,2,0,0,0,0|1,0,1]=4 7786 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [0,2,0,0,0,0|1,0,1]=4 7787 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [0,2,0,0,0,0|1,0,1]=4 7788 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [0,2,0,0,0,0|1,0,1]=4 7789 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [0,2,0,0,0,0|1,0,1]=4 7790 B13R0.338 C=CCCCCNC(C)CCCSC 270004a_100000703577_100011399439 [0,2,0,0,0,0|2,0,0]=4 7791 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [0,2,0,0,0,0|1,0,1]=4 7792 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [0,2,0,0,0,0|1,0,1]=4 7793 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [0,2,0,0,0,0|1,0,1]=4 7794 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [0,2,0,0,0,0|1,0,1]=4 7795 B13R0.338 C=CCCCCOC(C)CCCOC 34a_200011539412_100011215482 [0,2,0,0,0,0|2,0,0]=4 7796 B13R0.338 C=CCCCCOC(C)CCCOC 7a_200011539412_100011215482 [0,2,0,0,0,0|2,0,0]=4 7797 B13R0.338 C=CCCCCSC(C)CCCCC 62a_100011215482_200011218191 [0,2,0,0,0,0|1,0,1]=4 7798 B13R0.338 C=CCCCCSC(C)CCCCC 62a_200011218191_100011215482 [0,2,0,0,0,0|1,0,1]=4 7799 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [0,2,0,0,0,0|1,0,1]=4 7800 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [0,2,0,0,0,0|1,0,1]=4 7801 B13R0.338 C=CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000757094 [0,2,0,0,0,0|1,0,1]=4 7802 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,2,0,0,0,0|1,0,1]=4 7803 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,2,0,0,0,0|1,0,1]=4 7804 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,2,0,0,0,0|1,0,1]=4 7805 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 7806 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 7807 B13R0.338 C=CCCSC(C)CCCCCCC 62a_100000754431_200011218727 [0,2,0,0,0,0|1,0,1]=4 7808 B13R0.338 C=CCCSC(C)CCCCCCC 62a_200011218727_100000754431 [0,2,0,0,0,0|1,0,1]=4 7809 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [0,2,0,0,0,0|0,0,2]=4 7810 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [0,2,0,0,0,0|0,0,2]=4 7811 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [0,2,0,0,0,0|0,0,2]=4 7812 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [0,2,0,0,0,0|0,0,2]=4 7813 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,2,0,0,0,0|0,0,2]=4 7814 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,2,0,0,0,0|0,0,2]=4 7815 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [0,2,0,0,0,0|0,0,2]=4 7816 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [0,2,0,0,0,0|0,0,2]=4 7817 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [0,2,0,0,0,0|1,0,1]=4 7818 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [0,2,0,0,0,0|1,0,1]=4 7819 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [0,2,0,0,0,0|1,0,1]=4 7820 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [0,2,0,0,0,0|1,0,1]=4 7821 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [0,2,0,0,0,0|1,0,1]=4 7822 B13R0.1 C=CCCCCC(=O)CCCC(=O)C 1458a_100011215552_100011215641 [0,2,0,0,0,0|0,0,1]=3 7823 B13R0.1 C=CCCCCC(=O)CCCC(=O)N 1458a_100011215552_100102525003 [0,2,0,0,0,0|0,0,1]=3 7824 B13R0.1 C=CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215482 [0,2,0,0,0,0|1,0,1]=4 7825 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215482 [0,2,0,0,0,0|1,0,1]=4 7826 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100011215552_100000189650 [0,2,0,0,0,0|1,0,1]=4 7827 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011215482 [0,2,0,0,0,0|1,0,1]=4 7828 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100011215552_200000034859 [0,2,0,0,0,0|1,0,1]=4 7829 B13R0.1 C=CCCCCC(=O)CCOC(=O)C 1458a_100011215552_100009814007 [0,2,0,0,0,0|1,0,1]=4 7830 B13R0.1 C=CCCCCC(=O)CCOC(=O)N 1458a_100011215552_200011214921 [0,2,0,0,0,0|1,0,1]=4 7831 B13R0.1 C=CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215482 [0,2,0,0,0,0|1,0,1]=4 7832 B13R0.1 C=CCCCCC(=O)COCC(=O)N 1458a_100011219004_100011215482 [0,2,0,0,0,0|1,0,1]=4 7833 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 11a_100000740010_100011215552 [0,2,0,0,0,0|1,0,1]=4 7834 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011215552 [0,2,0,0,0,0|1,0,1]=4 7835 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 527a_100000740010_100011215552 [0,2,0,0,0,0|1,0,1]=4 7836 B13R0.1 C=CCCCCN(C)CCCC(=O)C 269982a_100012000471_100011215641 [0,2,0,0,0,0|1,0,0]=3 7837 B13R0.1 C=CCCCCN(C)CCCC(=O)N 269982a_100012000471_100102525003 [0,2,0,0,0,0|1,0,0]=3 7838 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [0,2,0,0,0,0|1,0,0]=3 7839 B13R0.1 C=CCCCCN(C)CCNC(=O)C 2230a_100012000471_100000189650 [0,2,0,0,0,0|2,0,0]=4 7840 B13R0.1 C=CCCCCN(C)CCNC(=O)C 269982a_100012000471_100000189650 [0,2,0,0,0,0|2,0,0]=4 7841 B13R0.1 C=CCCCCN(C)CCNC(=O)N 2230a_100012000471_200000034859 [0,2,0,0,0,0|2,0,0]=4 7842 B13R0.1 C=CCCCCN(C)CCNC(=O)N 269982a_100012000471_200000034859 [0,2,0,0,0,0|2,0,0]=4 7843 B13R0.1 C=CCCCCN(C)CCOC(=O)C 269982a_100012000471_100009814007 [0,2,0,0,0,0|2,0,0]=4 7844 B13R0.1 C=CCCCCN(C)CCOC(=O)N 269982a_100012000471_200011214921 [0,2,0,0,0,0|2,0,0]=4 7845 B13R0.1 C=CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757094 [0,2,0,0,0,0|1,0,0]=3 7846 B13R0.1 C=CCOCCC(=O)CCCC(=O)C 1458a_200011217002_100011215641 [0,2,0,0,0,0|1,0,1]=4 7847 B13R0.1 C=CCOCCC(=O)CCCC(=O)N 1458a_200011217002_100102525003 [0,2,0,0,0,0|1,0,1]=4 7848 B13R0.1 C=COCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000039644 [0,2,0,0,0,0|2,0,0]=4 7849 B13R0.1 CC(CCCC(=O)[O-])OCCCC=O 7a_100000761597_200011292268 [0,2,0,0,0,0|2,0,0]=4 7850 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [0,2,0,0,0,0|2,0,0]=4 7851 B13R0.188 C=CCCCC(=O)CCCCC(=O)C 1458a_100000766728_100000735457 [0,2,0,0,0,0|0,0,1]=3 7852 B13R0.188 C=CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757094 [0,2,0,0,0,0|1,0,1]=4 7853 B13R0.188 C=CCCCC(=O)CCCOC(=O)C 1458a_100000766728_100000042594 [0,2,0,0,0,0|1,0,1]=4 7854 B13R0.188 C=CCCCC(=O)CCCSC(=O)C 1458a_100000766728_100000038929 [0,2,0,0,0,0|1,0,1]=4 7855 B13R0.188 C=CCCCC(=O)CCOCC(=O)N 1458a_100000766728_100000076697 [0,2,0,0,0,0|1,0,1]=4 7856 B13R0.188 C=CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000757094 [0,2,0,0,0,0|1,0,1]=4 7857 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000766728 [0,2,0,0,0,0|1,0,1]=4 7858 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000766728 [0,2,0,0,0,0|1,0,1]=4 7859 B13R0.188 C=CCSCC(=O)CCCCC(=O)C 1458a_100000230395_100000735457 [0,2,0,0,0,0|1,0,1]=4 7860 B13R0.1171 C=CCCCCN(C)C(C)CCC=C 270004a_100012000471_100000762624 [0,2,0,0,0,0|2,0,0]=4 7861 B13R0.119 C=CCCC(=O)CCCCCC(=O)N 1458a_100000749702_100009817443 [0,2,0,0,0,0|0,0,1]=3 7862 B13R0.119 C=CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000754431 [0,2,0,0,0,0|1,0,1]=4 7863 B13R0.119 C=CCCC(=O)CCCCOC(=O)C 1458a_100000749702_100000033659 [0,2,0,0,0,0|1,0,1]=4 7864 B13R0.119 C=CCCC(=O)CCCCSC(=O)C 1458a_100000749702_200010402107 [0,2,0,0,0,0|1,0,1]=4 7865 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 7866 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 7867 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 7868 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 7869 B13R0.119 C=CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000762624 [0,2,0,0,0,0|1,0,0]=3 7870 B13R0.119 C=CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000762624 [0,2,0,0,0,0|2,0,0]=4 7871 B13R0.119 C=CCCC(C)OCCCCC(=O)C 34a_100000765329_100009817362 [0,2,0,0,0,0|1,0,0]=3 7872 B13R0.119 C=CCCC(C)OCCCCC(=O)C 7a_100000765329_100000735457 [0,2,0,0,0,0|1,0,0]=3 7873 B13R0.119 C=CCCC(C)OCCCOC(=O)C 34a_100000765329_100000042594 [0,2,0,0,0,0|2,0,0]=4 7874 B13R0.119 C=CCCC(C)OCCCOC(=O)C 7a_100000765329_100000042594 [0,2,0,0,0,0|2,0,0]=4 7875 B13R0.119 C=CCCC(C)OCCCSC(=O)C 34a_100000765329_100000038929 [0,2,0,0,0,0|2,0,0]=4 7876 B13R0.119 C=CCCC(C)OCCCSC(=O)C 7a_100000765329_100000038929 [0,2,0,0,0,0|2,0,0]=4 7877 B13R0.119 C=CCCC(C)OCCOCC(=O)N 34a_100000765329_100000076697 [0,2,0,0,0,0|2,0,0]=4 7878 B13R0.119 C=CCCC(C)OCCOCC(=O)N 7a_100000765329_100000076697 [0,2,0,0,0,0|2,0,0]=4 7879 B13R0.119 C=CCCN(C)CCCCCC(=O)N 2230a_100020639649_100009817443 [0,2,0,0,0,0|1,0,0]=3 7880 B13R0.119 C=CCCN(C)CCCCCC(=O)N 269982a_100020639649_100009817443 [0,2,0,0,0,0|1,0,0]=3 7881 B13R0.119 C=CCCN(C)CCCCOC(=O)C 269982a_100020639649_100000033659 [0,2,0,0,0,0|2,0,0]=4 7882 B13R0.119 C=CCCN(C)CCCCSC(=O)C 2230a_100020639649_200010402107 [0,2,0,0,0,0|2,0,0]=4 7883 B13R0.119 C=CCCN(C)CCCCSC(=O)C 269982a_100020639649_200010402107 [0,2,0,0,0,0|2,0,0]=4 7884 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_100011934241_100000730704 [0,2,0,0,0,0|1,0,1]=4 7885 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100000700193 [0,2,0,0,0,0|1,0,1]=4 7886 B13R0.154 C=CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000700193 [0,2,0,0,0,0|0,0,1]=3 7887 B13R0.154 C=CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000700193 [0,2,0,0,0,0|1,0,1]=4 7888 B13R0.154 C=CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000700193 [0,2,0,0,0,0|1,0,1]=4 7889 B13R0.154 C=CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000700193 [0,2,0,0,0,0|1,0,1]=4 7890 B13R0.154 C=CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000700193 [0,2,0,0,0,0|1,0,1]=4 7891 B13R0.154 C=CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000700193 [0,2,0,0,0,0|1,0,1]=4 7892 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 11a_100000711301_100011934241 [0,2,0,0,0,0|1,0,1]=4 7893 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100011934241 [0,2,0,0,0,0|1,0,1]=4 7894 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 527a_100000711301_100011934241 [0,2,0,0,0,0|1,0,1]=4 7895 B13R0.154 C=CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000700193 [0,2,0,0,0,0|1,0,0]=3 7896 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 240690a_100000703577_100011215257 [0,2,0,0,0,0|1,0,1]=4 7897 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 527a_100000703577_100011215257 [0,2,0,0,0,0|1,0,1]=4 7898 B13R0.154 C=CCCCCNC(C)CCC(=C)C 270004a_100000703577_100011215600 [0,2,0,0,0,0|2,0,0]=4 7899 B13R0.154 C=CCCCCNC(C)COC(=O)C 270004a_100000703577_100000000629 [0,2,0,0,0,0|2,0,0]=4 7900 B13R0.154 C=CCCCNCC(C)CSC(=O)C 2230a_100000700776_200000116872 [0,2,0,0,0,0|2,0,0]=4 7901 B13R0.154 C=CCCCNCC(C)CSC(=O)C 34a_100000700776_200000116872 [0,2,0,0,0,0|2,0,0]=4 7902 B13R0.154 C=CCCCNCC(O)COC(=O)C 34a_100000700776_200000139349 [0,2,0,0,0,0|2,0,0]=4 7903 B13R0.154 C=CCCCOCC(C)CSC(=O)C 34a_100000758997_200000116872 [0,2,0,0,0,0|2,0,0]=4 7904 B13R0.154 C=CCCCOCC(C)CSC(=O)C 7a_100000758997_200000116872 [0,2,0,0,0,0|2,0,0]=4 7905 B13R0.154 C=CCCCOCC(O)COC(=O)C 34a_100000758997_200000139349 [0,2,0,0,0,0|2,0,0]=4 7906 B13R0.154 C=CCCCOCC(O)COC(=O)C 7a_100000758997_200000139349 [0,2,0,0,0,0|2,0,0]=4 7907 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_100011713584_200000116872 [0,2,0,0,0,0|2,0,0]=4 7908 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_200000116872_100000757094 [0,2,0,0,0,0|2,0,0]=4 7909 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_100011713584_200000139349 [0,2,0,0,0,0|2,0,0]=4 7910 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_200000139349_100000757094 [0,2,0,0,0,0|2,0,0]=4 7911 B13R0.154 CN(CCCCCC=O)CCC(=O)N 2230a_100000730477_100000139337 [0,2,0,0,0,0|2,0,0]=4 7912 B13R0.274 C=CCCCCCC(=O)CC(C)C=C 1458a_100011934298_100000700193 [0,2,0,0,0,0|1,0,1]=4 7913 B13R0.150 C=CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100012355270 [0,2,0,0,0,0|1,0,1]=4 7914 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [0,2,0,0,0,0|1,0,0]=3 7915 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215473 [0,2,0,0,0,0|1,0,0]=3 7916 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215473 [0,2,0,0,0,0|1,0,0]=3 7917 B13R0.150 C=CCCCCCCOC(C)C(=O)C 34a_100000212229_100011215473 [0,2,0,0,0,0|1,0,0]=3 7918 B13R0.150 C=CCCCCCCOC(C)C(=O)C 7a_200011216477_100000179758 [0,2,0,0,0,0|1,0,0]=3 7919 B13R0.150 C=CCCCCCCOC(C)C(=O)N 34a_200011216477_100000702099 [0,2,0,0,0,0|1,0,0]=3 7920 B13R0.150 C=CCCCCCCOC(C)C(=O)N 7a_200011216477_100000702099 [0,2,0,0,0,0|1,0,0]=3 7921 B13R0.150 C=CCCCCCCOC(F)C(=O)N 34a_200011216477_100009813875 [0,2,0,0,0,0|1,0,0]=3 7922 B13R0.150 C=CCCCCCCOC(F)C(=O)N 7a_200011216477_100009813875 [0,2,0,0,0,0|1,0,0]=3 7923 B13R0.150 C=CCCCCCCOC(F)C(=O)[O-] 34a_200011216477_100020610796 [0,2,0,0,0,0|1,0,0]=3 7924 B13R0.150 C=CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215473 [0,2,0,0,0,0|1,0,0]=3 7925 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215473 [0,2,0,0,0,0|1,0,0]=3 7926 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215473 [0,2,0,0,0,0|1,0,0]=3 7927 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100009814033_100011215473 [0,2,0,0,0,0|1,0,0]=3 7928 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100011215473_100009814033 [0,2,0,0,0,0|1,0,0]=3 7929 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100000702099_100011215473 [0,2,0,0,0,0|1,0,0]=3 7930 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100011215473_100000702099 [0,2,0,0,0,0|1,0,0]=3 7931 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100009813875_100011215473 [0,2,0,0,0,0|1,0,0]=3 7932 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100011215473_100009813875 [0,2,0,0,0,0|1,0,0]=3 7933 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100011215473_100020610796 [0,2,0,0,0,0|1,0,0]=3 7934 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215473 [0,2,0,0,0,0|1,0,0]=3 7935 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [0,2,0,0,0,0|1,0,0]=3 7936 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [0,2,0,0,0,0|1,0,0]=3 7937 B13R0.150 C=CCCCCCOCC(=O)C(=O)C 34a_100011216702_100011261029 [0,2,0,0,0,0|1,0,1]=4 7938 B13R0.150 C=CCCCCCOCC(C)C(=O)C 34a_100000032740_100000700193 [0,2,0,0,0,0|1,0,0]=3 7939 B13R0.150 C=CCCCCCOCC(C)C(=O)C 7a_100000032740_100000700193 [0,2,0,0,0,0|1,0,0]=3 7940 B13R0.150 C=CCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000700193 [0,2,0,0,0,0|2,0,0]=4 7941 B13R0.150 C=CCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000700193 [0,2,0,0,0,0|2,0,0]=4 7942 B13R0.150 C=CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000700193 [0,2,0,0,0,0|1,0,0]=3 7943 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100000700193_100011261029 [0,2,0,0,0,0|1,0,1]=4 7944 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000700193 [0,2,0,0,0,0|1,0,1]=4 7945 B13R0.150 CC(=O)C(C)COCCCCCC=O 7a_100000032740_100000139337 [0,2,0,0,0,0|1,0,1]=4 7946 B13R0.150 CC(CNCCCCCC=O)C(=O)O 269956a_100000749485_100000139337 [0,2,0,0,0,0|2,0,0]=4 7947 B13R0.150 O=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000139337 [0,2,0,0,0,0|2,0,0]=4 7948 B13R0.179 C=C(Br)CCOCCCCCC(=O)N 34a_100009813270_100009817443 [0,2,0,0,0,0|1,0,0]=3 7949 B13R0.179 C=C(Br)CCOCCCCOC(=O)C 34a_100009813270_100000033659 [0,2,0,0,0,0|2,0,0]=4 7950 B13R0.179 C=C(Br)CCOCCCCSC(=O)C 34a_100009813270_200010402107 [0,2,0,0,0,0|2,0,0]=4 7951 B13R0.179 C=C(C)CCNCCCCNC(=O)C 2230a_200011368371_100000730704 [0,2,0,0,0,0|2,0,0]=4 7952 B13R0.179 C=C(C)CCNCCCCNC(=O)C 34a_200011368371_100000730704 [0,2,0,0,0,0|2,0,0]=4 7953 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,2,0,0,0,0|1,0,0]=3 7954 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,2,0,0,0,0|1,0,0]=3 7955 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,2,0,0,0,0|1,0,0]=3 7956 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,2,0,0,0,0|1,0,0]=3 7957 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [0,2,0,0,0,0|2,0,0]=4 7958 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [0,2,0,0,0,0|2,0,0]=4 7959 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [0,2,0,0,0,0|2,0,0]=4 7960 B13R0.179 C=C(C)CCOCCCCSC(=O)C 34a_100000764851_200010402107 [0,2,0,0,0,0|2,0,0]=4 7961 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,2,0,0,0,0|1,0,0]=3 7962 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,2,0,0,0,0|1,0,0]=3 7963 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [0,2,0,0,0,0|2,0,0]=4 7964 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [0,2,0,0,0,0|2,0,0]=4 7965 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_100000730704_200010402107 [0,2,0,0,0,0|2,0,0]=4 7966 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_200010402107_100000730704 [0,2,0,0,0,0|2,0,0]=4 7967 B13R0.179 C=C(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748629 [0,2,0,0,0,0|2,0,0]=4 7968 B13R0.179 C=C(C)CNCCCCCNC(=O)C 34a_200012022750_100000748629 [0,2,0,0,0,0|2,0,0]=4 7969 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [0,2,0,0,0,0|2,0,0]=4 7970 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [0,2,0,0,0,0|2,0,0]=4 7971 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [0,2,0,0,0,0|2,0,0]=4 7972 B13R0.179 C=C(F)CNCCCCCNC(=O)C 2230a_200012022750_100009893438 [0,2,0,0,0,0|2,0,0]=4 7973 B13R0.179 C=C(F)CNCCCCCNC(=O)C 34a_200012022750_100009893438 [0,2,0,0,0,0|2,0,0]=4 7974 B13R0.179 C=C(F)COCCCCCOC(=O)C 34a_200010262243_100000033007 [0,2,0,0,0,0|2,0,0]=4 7975 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000033007_100000042424 [0,2,0,0,0,0|2,0,0]=4 7976 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000042424_100000033007 [0,2,0,0,0,0|2,0,0]=4 7977 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,2,0,0,0,0|1,0,1]=4 7978 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,2,0,0,0,0|1,0,1]=4 7979 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,2,0,0,0,0|1,0,1]=4 7980 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,2,0,0,0,0|1,0,1]=4 7981 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,2,0,0,0,0|1,0,1]=4 7982 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,2,0,0,0,0|1,0,1]=4 7983 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,2,0,0,0,0|1,0,1]=4 7984 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,2,0,0,0,0|1,0,1]=4 7985 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,2,0,0,0,0|1,0,1]=4 7986 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,2,0,0,0,0|1,0,1]=4 7987 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 7988 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,2,0,0,0,0|1,0,1]=4 7989 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 7990 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,2,0,0,0,0|1,0,1]=4 7991 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,2,0,0,0,0|1,0,1]=4 7992 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,2,0,0,0,0|1,0,1]=4 7993 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000123541_100000731001 [0,2,0,0,0,0|2,0,0]=4 7994 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009817443 [0,2,0,0,0,0|2,0,0]=4 7995 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000123541_100000744528 [0,2,0,0,0,0|2,0,0]=4 7996 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009817443 [0,2,0,0,0,0|2,0,0]=4 7997 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009817443 [0,2,0,0,0,0|2,0,0]=4 7998 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100009817443_100000744528 [0,2,0,0,0,0|2,0,0]=4 7999 B13R0.179 NC(=O)CCCCNCCCC(=O)N 34a_100000696515_100102525003 [0,2,0,0,0,0|2,0,0]=4 8000 B13R0.179 NC(=O)CCCCOCCCC(=O)N 34a_100012022536_100102525003 [0,2,0,0,0,0|2,0,0]=4 8001 B13R0.179 NC(=O)CCCCOCCCC(=O)N 7a_100012022536_100102525003 [0,2,0,0,0,0|2,0,0]=4 8002 B13R0.179 NC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000744528 [0,2,0,0,0,0|2,0,0]=4 8003 B13R0.202 C=CC(=O)OCCCCCCC(=O)C 1458a_100000070787_100009894100 [0,2,0,0,0,0|1,0,1]=4 8004 B13R0.202 C=CC(C)COCCCCCC(=O)N 34a_100011215527_100009817443 [0,2,0,0,0,0|1,0,0]=3 8005 B13R0.202 C=CC(C)COCCCCCC(=O)N 7a_100011215527_100009817443 [0,2,0,0,0,0|1,0,0]=3 8006 B13R0.202 C=CC(C)COCCCCOC(=O)C 34a_100011215527_100000033659 [0,2,0,0,0,0|2,0,0]=4 8007 B13R0.202 C=CC(C)COCCCCOC(=O)C 7a_100011215527_100000033659 [0,2,0,0,0,0|2,0,0]=4 8008 B13R0.202 C=CC(C)COCCCCSC(=O)C 34a_100011215527_200010402107 [0,2,0,0,0,0|2,0,0]=4 8009 B13R0.202 C=CC(C)COCCCCSC(=O)C 7a_100011215527_200010402107 [0,2,0,0,0,0|2,0,0]=4 8010 B13R0.202 C=CC(C)OCCCCCOC(=O)C 34a_100000695699_100000033007 [0,2,0,0,0,0|2,0,0]=4 8011 B13R0.202 C=CC(C)SCCCCCOC(=O)C 62a_100011215867_100000033007 [0,2,0,0,0,0|2,0,0]=4 8012 B13R0.202 C=CC(O)CNCCCCNC(=O)C 2230a_200011368371_100000730141 [0,2,0,0,0,0|2,0,0]=4 8013 B13R0.202 C=CC(O)CNCCCCNC(=O)C 34a_200011368371_100000730141 [0,2,0,0,0,0|2,0,0]=4 8014 B13R0.202 C=CC(O)COCCCCCC(=O)N 34a_100000123541_100000730141 [0,2,0,0,0,0|1,0,0]=3 8015 B13R0.202 C=CC(O)COCCCCCC(=O)N 7a_100000123541_100000730141 [0,2,0,0,0,0|1,0,0]=3 8016 B13R0.202 C=CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100000730141 [0,2,0,0,0,0|1,0,0]=3 8017 B13R0.202 C=CC(O)COCCCCOC(=O)C 34a_100000073216_100000730141 [0,2,0,0,0,0|2,0,0]=4 8018 B13R0.202 C=CC(O)COCCCCOC(=O)C 7a_100000073216_100000730141 [0,2,0,0,0,0|2,0,0]=4 8019 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100000730141_100009817443 [0,2,0,0,0,0|1,0,0]=3 8020 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100009817443_100000730141 [0,2,0,0,0,0|1,0,0]=3 8021 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000033659_100000730141 [0,2,0,0,0,0|2,0,0]=4 8022 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000730141_100000033659 [0,2,0,0,0,0|2,0,0]=4 8023 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_100000730141_200010402107 [0,2,0,0,0,0|2,0,0]=4 8024 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_200010402107_100000730141 [0,2,0,0,0,0|2,0,0]=4 8025 B13R0.202 C=C[C@H](N)COCCCCCC(=O)N 34a_100016989147_100009817443 [0,2,0,0,0,0|1,0,0]=3 8026 B13R0.202 C=C[C@H](N)COCCCCOC(=O)C 34a_100016989147_100000033659 [0,2,0,0,0,0|2,0,0]=4 8027 B13R0.202 C=C[C@H](N)COCCCCSC(=O)C 34a_100016989147_200010402107 [0,2,0,0,0,0|2,0,0]=4 8028 B13R0.280 C=CCCCCCCOCS(=O)(=O)[O-] 34a_200011216477_100009817235 [0,2,0,0,0,0|2,0,0]=4 8029 B13R0.280 C=CCCCCCCSCS(=O)(=O)N 62a_100000741382_100011215473 [0,2,0,0,0,0|2,0,0]=4 8030 B13R0.280 C=CCCCCCCSCS(=O)(=O)N 62a_100011215473_100000741382 [0,2,0,0,0,0|2,0,0]=4 8031 B13R0.280 C=CCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011215473 [0,2,0,0,0,0|2,0,0]=4 8032 B13R0.280 C=CCCCCCCSCS(=O)(=O)[O-] 62a_100011215473_100009817235 [0,2,0,0,0,0|2,0,0]=4 8033 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000700193 [0,2,0,0,0,0|2,0,0]=4 8034 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000700193 [0,2,0,0,0,0|2,0,0]=4 8035 B13R0.280 C=CCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000700193 [0,2,0,0,0,0|2,0,0]=4 8036 B13R0.280 C=CCCCCCNCCS(=O)(=O)N 34a_100000738205_100000700193 [0,2,0,0,0,0|2,0,0]=4 8037 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000700193 [0,2,0,0,0,0|2,0,0]=4 8038 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100011216702_100000731031 [0,2,0,0,0,0|2,0,0]=4 8039 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000700193 [0,2,0,0,0,0|2,0,0]=4 8040 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100011216702_100000230027 [0,2,0,0,0,0|2,0,0]=4 8041 B13R0.280 C=CCCCCCOCCS(=O)(=O)N 34a_100012334274_100000700193 [0,2,0,0,0,0|2,0,0]=4 8042 B13R0.280 C=CCCCCCOCCS(=O)(=O)[O-] 34a_100011216702_100000762736 [0,2,0,0,0,0|2,0,0]=4 8043 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000700193_100000230027 [0,2,0,0,0,0|2,0,0]=4 8044 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000700193 [0,2,0,0,0,0|2,0,0]=4 8045 B13R0.280 C=CCCCCCSCCS(=O)(=O)[O-] 62a_100000700193_100000762736 [0,2,0,0,0,0|2,0,0]=4 8046 B13R0.280 C=CCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000700193 [0,2,0,0,0,0|2,0,0]=4 8047 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000703577_100000754308 [0,2,0,0,0,0|2,0,0]=4 8048 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011215482 [0,2,0,0,0,0|2,0,0]=4 8049 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000703577_100000754308 [0,2,0,0,0,0|2,0,0]=4 8050 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000742409_100011215482 [0,2,0,0,0,0|2,0,0]=4 8051 B13R0.280 C=CCCCCNCCCS(=O)(=O)N 2230a_100000703577_100000750626 [0,2,0,0,0,0|2,0,0]=4 8052 B13R0.280 C=CCCCCNCCCS(=O)(=O)N 34a_100000703577_100000750626 [0,2,0,0,0,0|2,0,0]=4 8053 B13R0.280 C=CCCCCNCCCS(=O)(=O)[O-] 34a_100000703577_100009813499 [0,2,0,0,0,0|2,0,0]=4 8054 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000689940_100011215482 [0,2,0,0,0,0|2,0,0]=4 8055 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000766645_100000754308 [0,2,0,0,0,0|2,0,0]=4 8056 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000689940_100011215482 [0,2,0,0,0,0|2,0,0]=4 8057 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000766645_100000754308 [0,2,0,0,0,0|2,0,0]=4 8058 B13R0.280 C=CCCCCOCCCS(=O)(=O)N 34a_100000766645_100000750626 [0,2,0,0,0,0|2,0,0]=4 8059 B13R0.280 C=CCCCCOCCCS(=O)(=O)N 7a_100000766645_100000750626 [0,2,0,0,0,0|2,0,0]=4 8060 B13R0.280 C=CCCCCOCCCS(=O)(=O)[O-] 34a_100000766645_100009813499 [0,2,0,0,0,0|2,0,0]=4 8061 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100000754308_100011215482 [0,2,0,0,0,0|2,0,0]=4 8062 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100011215482_100000754308 [0,2,0,0,0,0|2,0,0]=4 8063 B13R0.280 C=CCCCCSCCCS(=O)(=O)N 62a_100000750626_100011215482 [0,2,0,0,0,0|2,0,0]=4 8064 B13R0.280 C=CCCCCSCCCS(=O)(=O)N 62a_100011215482_100000750626 [0,2,0,0,0,0|2,0,0]=4 8065 B13R0.280 C=CCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100011215482 [0,2,0,0,0,0|2,0,0]=4 8066 B13R0.280 C=CCCCCSCCCS(=O)(=O)[O-] 62a_100011215482_100009813499 [0,2,0,0,0,0|2,0,0]=4 8067 B13R0.412 C=CCCCCCCN[C@@H](C=C)CO 2230a_100016989147_100011215473 [0,2,0,0,0,0|2,0,0]=4 8068 B13R0.412 C=CCCCCCCN[C@@H](C=C)CO 34a_100016989147_100011215473 [0,2,0,0,0,0|2,0,0]=4 8069 B13R0.412 C=CCCCCCCOC(C=C)C=C 34a_100000033096_100011215473 [0,2,0,0,0,0|2,0,0]=4 8070 B13R0.412 C=CCCCCCCOC(C=C)CC 34a_100000766422_100011215473 [0,2,0,0,0,0|2,0,0]=4 8071 B13R0.412 C=CCCCCCCOC(C=C)CC 7a_100000766422_100011215473 [0,2,0,0,0,0|2,0,0]=4 8072 B13R0.412 C=CCCCCCCOC(C=O)C=O 34a_200011216477_100000736813 [0,2,0,0,0,0|1,0,0]=3 8073 B13R0.412 C=CCCCCCCSC(C=O)C=O 62a_100000736813_100011215473 [0,2,0,0,0,0|1,0,0]=3 8074 B13R0.412 C=CCCCCCCSC(C=O)C=O 62a_100011215473_100000736813 [0,2,0,0,0,0|1,0,0]=3 8075 B13R0.1215 C=CCCCCCCOC(C)(C)C=C 34a_100011215311_100011215473 [0,2,0,0,0,0|2,0,0]=4 8076 B13R0.1215 C=CCCCCCCOC(C)(C)C=C 7a_100011215311_100011215473 [0,2,0,0,0,0|2,0,0]=4 8077 B13R0.1215 C=CCCCCCCSC(F)(F)C=C 62a_100009814244_100011215473 [0,2,0,0,0,0|2,0,0]=4 8078 B13R0.1215 C=CCCCCCCSC(F)(F)C=C 62a_100011215473_100009814244 [0,2,0,0,0,0|2,0,0]=4 8079 B13R0.1215 C=C[Si](C)(C)CSCCCCCC=O 62a_100000038793_100000139337 [0,2,0,0,0,0|1,1,0]=4 8080 B13R0.1215 C=C[Si](C)(C)CSCCCCCC=O 62a_100000139337_100000038793 [0,2,0,0,0,0|1,1,0]=4 8081 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [1,0,0,1,0,0|1,0,1]=4 8082 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [1,0,0,1,0,0|1,0,1]=4 8083 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [1,0,0,1,0,0|1,0,1]=4 8084 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [1,0,0,1,0,0|1,0,1]=4 8085 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [1,0,0,1,0,0|1,0,1]=4 8086 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [1,0,0,1,0,0|1,0,1]=4 8087 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [1,0,0,1,0,0|1,0,1]=4 8088 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [1,0,0,1,0,0|1,0,1]=4 8089 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [1,0,0,1,0,0|1,0,1]=4 8090 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [1,0,0,1,0,0|1,0,1]=4 8091 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [1,0,0,1,0,0|1,0,1]=4 8092 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [1,0,0,1,0,0|1,0,1]=4 8093 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [1,0,0,1,0,0|1,0,1]=4 8094 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [1,0,0,1,0,0|1,0,1]=4 8095 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [1,0,0,1,0,0|1,0,1]=4 8096 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [1,0,0,1,0,0|1,0,1]=4 8097 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [1,0,0,1,0,0|1,0,1]=4 8098 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [1,0,0,1,0,0|1,0,1]=4 8099 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [1,0,0,1,0,0|1,0,1]=4 8100 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [1,0,0,1,0,0|1,0,1]=4 8101 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [1,0,0,1,0,0|1,0,1]=4 8102 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [1,0,0,1,0,0|1,0,1]=4 8103 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [1,0,0,1,0,0|1,0,1]=4 8104 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [1,0,0,1,0,0|1,0,1]=4 8105 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [1,0,0,1,0,0|1,0,1]=4 8106 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [1,0,0,1,0,0|1,0,1]=4 8107 B11R1.4 C=CCCOC[C@H]1CCCN1 34a_100000745186_100000754431 [1,0,0,1,0,0|2,0,0]=4 8108 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [1,0,0,1,0,0|1,0,1]=4 8109 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [1,0,0,1,0,0|1,0,1]=4 8110 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [1,0,0,1,0,0|1,0,1]=4 8111 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [1,0,0,1,0,0|1,0,1]=4 8112 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [1,0,0,1,0,0|1,0,1]=4 8113 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [1,0,0,1,0,0|1,0,1]=4 8114 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [1,0,0,1,0,0|1,0,1]=4 8115 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [1,0,0,1,0,0|1,0,1]=4 8116 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [1,0,0,1,0,0|1,0,1]=4 8117 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [1,0,0,1,0,0|1,0,1]=4 8118 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [1,0,0,1,0,0|1,0,1]=4 8119 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [1,0,0,1,0,0|1,0,1]=4 8120 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [1,0,0,1,0,0|1,0,1]=4 8121 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [1,0,0,1,0,0|1,0,1]=4 8122 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [1,0,0,1,0,0|1,0,1]=4 8123 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [1,0,0,1,0,0|1,0,1]=4 8124 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [1,0,0,1,0,0|1,0,1]=4 8125 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [1,0,0,1,0,0|1,0,1]=4 8126 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [1,0,0,1,0,0|1,0,1]=4 8127 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [1,0,0,1,0,0|1,0,1]=4 8128 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [1,0,0,1,0,0|1,0,1]=4 8129 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [1,0,0,1,0,0|1,0,1]=4 8130 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [1,0,0,1,0,0|1,0,1]=4 8131 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [1,0,0,1,0,0|1,0,1]=4 8132 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [1,0,0,1,0,0|1,0,1]=4 8133 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [1,0,0,1,0,0|1,0,1]=4 8134 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [1,0,0,1,0,0|2,0,0]=4 8135 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [1,0,0,1,0,0|2,0,0]=4 8136 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 8137 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 8138 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 8139 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,0,1,0,0|1,0,1]=4 8140 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,0,1,0,0|1,0,1]=4 8141 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,0,1,0,0|1,0,1]=4 8142 B11R1.17 C=CCNC1CCCNC1=O 2230a_100000747585_100000210623 [1,0,0,1,0,0|2,0,0]=4 8143 B11R1.17 C=CCNC1CCCNC1=O 2230a_100020586998_100000687798 [1,0,0,1,0,0|2,0,0]=4 8144 B11R1.17 C=CCNC1CCCNC1=O 34a_100000747585_100015514636 [1,0,0,1,0,0|2,0,0]=4 8145 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [1,0,0,1,0,0|2,0,0]=4 8146 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [1,0,0,1,0,0|2,0,0]=4 8147 B11R1.17 C=CCOC1CCCCC1=O 34a_100011214950_100015514636 [1,0,0,1,0,0|1,0,0]=3 8148 B11R1.17 C=CCOC1CCCCC1=O 34a_200000210373_100000754470 [1,0,0,1,0,0|1,0,0]=3 8149 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,0,1,0,0|1,0,1]=4 8150 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,0,1,0,0|1,0,1]=4 8151 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [1,0,0,1,0,0|2,0,0]=4 8152 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [1,0,0,1,0,0|2,0,0]=4 8153 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [1,0,0,1,0,0|2,0,0]=4 8154 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [1,0,0,1,0,0|1,0,1]=4 8155 B11R1.17 C=CCOC1CCCNC1=O 34a_100000073722_100015514636 [1,0,0,1,0,0|2,0,0]=4 8156 B11R1.17 C=CCOC1CCCNC1=O 34a_200000210373_100000687798 [1,0,0,1,0,0|2,0,0]=4 8157 B11R1.17 C=CCOC1COCCC1=O 34a_200000210373_100012180262 [1,0,0,1,0,0|2,0,0]=4 8158 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [1,0,0,1,0,0|2,0,0]=4 8159 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [1,0,0,1,0,0|2,0,0]=4 8160 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [1,0,0,1,0,0|2,0,0]=4 8161 B11R1.17 C=CCSC1CCCCC1=O 62a_100000204591_100000210623 [1,0,0,1,0,0|1,0,0]=3 8162 B11R1.17 C=CCSC1CCCCC1=O 62a_100000210623_100000204591 [1,0,0,1,0,0|1,0,0]=3 8163 B11R1.17 C=CCSC1CCCCC1F 62a_100000210623_100015423560 [1,0,0,1,0,0|2,0,0]=4 8164 B11R1.17 C=CCSC1CCCCC1F 62a_100015423560_100000210623 [1,0,0,1,0,0|2,0,0]=4 8165 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [1,0,0,1,0,0|1,0,1]=4 8166 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [1,0,0,1,0,0|1,0,1]=4 8167 B11R1.17 C=CCSC1CCCNC1=O 62a_100000210623_100000687798 [1,0,0,1,0,0|2,0,0]=4 8168 B11R1.17 C=CCSC1CCCNC1=O 62a_100000687798_100000210623 [1,0,0,1,0,0|2,0,0]=4 8169 B11R1.17 C=CCSC1COCCC1=O 62a_100000210623_100012180262 [1,0,0,1,0,0|2,0,0]=4 8170 B11R1.17 C=CCSC1COCCC1=O 62a_100012180262_100000210623 [1,0,0,1,0,0|2,0,0]=4 8171 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|1,0,1]=4 8172 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|1,0,1]=4 8173 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|1,0,1]=4 8174 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|1,0,1]=4 8175 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [1,0,0,1,0,0|1,0,1]=4 8176 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [1,0,0,1,0,0|1,0,1]=4 8177 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [1,0,0,1,0,0|1,0,1]=4 8178 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [1,0,0,1,0,0|1,0,1]=4 8179 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [1,0,0,1,0,0|1,0,1]=4 8180 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [1,0,0,1,0,0|1,0,1]=4 8181 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [1,0,0,1,0,0|2,0,0]=4 8182 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [1,0,0,1,0,0|2,0,0]=4 8183 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 8184 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 8185 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [1,0,0,1,0,0|2,0,0]=4 8186 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [1,0,0,1,0,0|2,0,0]=4 8187 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [1,0,0,1,0,0|2,0,0]=4 8188 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [1,0,0,1,0,0|2,0,0]=4 8189 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [1,0,0,1,0,0|2,0,0]=4 8190 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [1,0,0,1,0,0|2,0,0]=4 8191 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [1,0,0,1,0,0|2,0,0]=4 8192 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [1,0,0,1,0,0|2,0,0]=4 8193 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [1,0,0,1,0,0|2,0,0]=4 8194 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [1,0,0,1,0,0|2,0,0]=4 8195 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [1,0,0,1,0,0|2,0,0]=4 8196 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [1,0,0,1,0,0|2,0,0]=4 8197 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [1,0,0,1,0,0|2,0,0]=4 8198 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 8199 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [1,0,0,1,0,0|2,0,0]=4 8200 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [1,0,0,1,0,0|2,0,0]=4 8201 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [1,0,0,1,0,0|2,0,0]=4 8202 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [1,0,0,1,0,0|2,0,0]=4 8203 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [1,0,0,1,0,0|2,0,0]=4 8204 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [1,0,0,1,0,0|2,0,0]=4 8205 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 8206 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,0,0,1,0,0|2,0,0]=4 8207 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 8208 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 8209 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 8210 B11R1.18 C=CCCN1CCC[C@@H]1CO 2230a_100000745186_100000754431 [1,0,0,1,0,0|1,0,1]=4 8211 B11R1.18 C=CCCN1CCC[C@@H]1CO 269982a_100000745186_100000754431 [1,0,0,1,0,0|1,0,1]=4 8212 B11R1.18 C=CCCN1CCC[C@@H]1CO 34a_100000745186_100000754431 [1,0,0,1,0,0|1,0,1]=4 8213 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [1,0,0,1,0,0|1,0,1]=4 8214 B11R1.28 C=CCCNC1C=CCCC1 2230a_100015191253_100000751183 [1,0,0,1,0,0|1,0,1]=4 8215 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [1,0,0,1,0,0|1,0,1]=4 8216 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [1,0,0,1,0,0|1,0,1]=4 8217 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [1,0,0,1,0,0|1,0,1]=4 8218 B11R1.28 C=CCCOC1C=CCCC1 34a_100011215024_100000754431 [1,0,0,1,0,0|1,0,1]=4 8219 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [1,0,0,1,0,0|1,0,1]=4 8220 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [1,0,0,1,0,0|1,0,1]=4 8221 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [1,0,0,1,0,0|1,0,1]=4 8222 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [1,0,0,1,0,0|1,0,1]=4 8223 B11R1.28 C=CCCSC1C=CCCC1 62a_100000751183_100000754431 [1,0,0,1,0,0|1,0,1]=4 8224 B11R1.28 C=CCCSC1C=CCCC1 62a_100000754431_100000751183 [1,0,0,1,0,0|1,0,1]=4 8225 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [1,0,0,1,0,0|1,0,1]=4 8226 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [1,0,0,1,0,0|1,0,1]=4 8227 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [1,0,0,1,0,0|1,0,1]=4 8228 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [1,0,0,1,0,0|1,0,1]=4 8229 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [1,0,0,1,0,0|1,0,1]=4 8230 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [1,0,0,1,0,0|1,0,1]=4 8231 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [1,0,0,1,0,0|1,0,1]=4 8232 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [1,0,0,1,0,0|1,0,1]=4 8233 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [1,0,0,1,0,0|1,0,1]=4 8234 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [1,0,0,1,0,0|1,0,1]=4 8235 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [1,0,0,1,0,0|1,0,1]=4 8236 B11R1.28 C=CCOCC1CCCCN1 34a_100000210821_100015514636 [1,0,0,1,0,0|2,0,0]=4 8237 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [1,0,0,1,0,0|1,0,1]=4 8238 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [1,0,0,1,0,0|1,0,1]=4 8239 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [1,0,0,1,0,0|1,0,1]=4 8240 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [1,0,0,1,0,0|1,0,1]=4 8241 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [1,0,0,1,0,0|1,0,1]=4 8242 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [1,0,0,1,0,0|1,0,1]=4 8243 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [1,0,0,1,0,0|1,0,1]=4 8244 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [1,0,0,1,0,0|1,0,1]=4 8245 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [1,0,0,1,0,0|1,0,1]=4 8246 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [1,0,0,1,0,0|1,0,1]=4 8247 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [1,0,0,1,0,0|1,0,1]=4 8248 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [1,0,0,1,0,0|1,0,1]=4 8249 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [1,0,0,1,0,0|1,0,1]=4 8250 B11R1.28 FCCCNC1C=CCCC1 2230a_100015189416_100000751183 [1,0,0,1,0,0|2,0,0]=4 8251 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [1,0,0,1,0,0|2,0,0]=4 8252 B11R1.28 FCCCSC1C=CCCC1 62a_100000751183_100011934791 [1,0,0,1,0,0|2,0,0]=4 8253 B11R1.28 FCCCSC1C=CCCC1 62a_100011934791_100000751183 [1,0,0,1,0,0|2,0,0]=4 8254 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,0,0,1,0,0|1,0,1]=4 8255 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,0,0,1,0,0|1,0,1]=4 8256 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [1,0,0,1,0,0|2,0,0]=4 8257 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [1,0,0,1,0,0|2,0,0]=4 8258 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|1,0,1]=4 8259 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|1,0,1]=4 8260 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 8261 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [1,0,0,1,0,0|2,0,0]=4 8262 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [1,0,0,1,0,0|2,0,0]=4 8263 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,0,0,1,0,0|1,0,1]=4 8264 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,0,0,1,0,0|1,0,1]=4 8265 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [1,0,0,1,0,0|2,0,0]=4 8266 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [1,0,0,1,0,0|2,0,0]=4 8267 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [1,0,0,1,0,0|1,0,1]=4 8268 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [1,0,0,1,0,0|1,0,1]=4 8269 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [1,0,0,1,0,0|1,0,1]=4 8270 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [1,0,0,1,0,0|1,0,1]=4 8271 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [1,0,0,1,0,0|1,0,1]=4 8272 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 8273 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 8274 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [1,0,0,1,0,0|1,0,1]=4 8275 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [1,0,0,1,0,0|1,0,1]=4 8276 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [1,0,0,1,0,0|1,0,1]=4 8277 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [1,0,0,1,0,0|1,0,1]=4 8278 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|1,0,1]=4 8279 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|1,0,1]=4 8280 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|1,0,1]=4 8281 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 8282 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 8283 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 8284 B11R1.46 C=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215482 [1,0,0,1,0,0|2,0,0]=4 8285 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215482 [1,0,0,1,0,0|2,0,0]=4 8286 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215482 [1,0,0,1,0,0|2,0,0]=4 8287 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [1,0,0,1,0,0|1,0,1]=4 8288 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [1,0,0,1,0,0|1,0,1]=4 8289 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [1,0,0,1,0,0|1,0,1]=4 8290 B11R1.46 O=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139335 [1,0,0,1,0,0|2,0,0]=4 8291 B11R1.46 O=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139335 [1,0,0,1,0,0|2,0,0]=4 8292 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [1,0,0,1,0,0|1,0,1]=4 8293 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [1,0,0,1,0,0|1,0,1]=4 8294 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [1,0,0,1,0,0|1,0,1]=4 8295 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [1,0,0,1,0,0|1,0,1]=4 8296 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [1,0,0,1,0,0|1,0,1]=4 8297 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [1,0,0,1,0,0|1,0,1]=4 8298 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [1,0,0,1,0,0|1,0,1]=4 8299 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [1,0,0,1,0,0|1,0,1]=4 8300 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [1,0,0,1,0,0|1,0,1]=4 8301 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [1,0,0,1,0,0|1,0,1]=4 8302 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [1,0,0,1,0,0|1,0,1]=4 8303 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [1,0,0,1,0,0|1,0,1]=4 8304 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [1,0,0,1,0,0|1,0,1]=4 8305 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [1,0,0,1,0,0|1,0,1]=4 8306 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [1,0,0,1,0,0|1,0,1]=4 8307 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [1,0,0,1,0,0|1,0,1]=4 8308 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [1,0,0,1,0,0|1,0,1]=4 8309 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [1,0,0,1,0,0|1,0,1]=4 8310 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [1,0,0,1,0,0|1,0,1]=4 8311 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [1,0,0,1,0,0|1,0,1]=4 8312 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [1,0,0,1,0,0|1,0,1]=4 8313 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [1,0,0,1,0,0|1,0,1]=4 8314 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [1,0,0,1,0,0|1,0,1]=4 8315 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [1,0,0,1,0,0|1,0,1]=4 8316 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [1,0,0,1,0,0|1,0,1]=4 8317 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [1,0,0,1,0,0|1,0,1]=4 8318 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [1,0,0,1,0,0|1,0,1]=4 8319 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [1,0,0,1,0,0|1,0,1]=4 8320 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [1,0,0,1,0,0|1,0,1]=4 8321 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [1,0,0,1,0,0|1,0,1]=4 8322 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [1,0,0,1,0,0|1,0,1]=4 8323 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [1,0,0,1,0,0|2,0,0]=4 8324 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [1,0,0,1,0,0|1,0,1]=4 8325 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [1,0,0,1,0,0|1,0,1]=4 8326 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [1,0,0,1,0,0|2,0,0]=4 8327 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [1,0,0,1,0,0|2,0,0]=4 8328 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [1,0,0,1,0,0|1,0,1]=4 8329 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [1,0,0,1,0,0|1,0,1]=4 8330 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [1,0,0,1,0,0|1,0,1]=4 8331 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [1,0,0,1,0,0|1,0,1]=4 8332 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [1,0,0,1,0,0|1,0,1]=4 8333 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [1,0,0,1,0,0|1,0,1]=4 8334 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [1,0,0,1,0,0|1,0,1]=4 8335 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [1,0,0,1,0,0|1,0,1]=4 8336 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [1,0,0,1,0,0|1,0,1]=4 8337 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [1,0,0,1,0,0|1,0,1]=4 8338 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [1,0,0,1,0,0|1,0,1]=4 8339 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [1,0,0,1,0,0|1,0,1]=4 8340 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [1,0,0,1,0,0|1,0,1]=4 8341 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [1,0,0,1,0,0|1,0,1]=4 8342 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [1,0,0,1,0,0|1,0,1]=4 8343 B11R1.99 C=CCCCCOCC1CS1 7a_100000766645_100000031435 [1,0,0,1,0,0|1,1,0]=4 8344 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [1,0,0,1,0,0|1,0,1]=4 8345 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [1,0,0,1,0,0|1,0,1]=4 8346 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [1,0,0,1,0,0|1,0,1]=4 8347 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [1,0,0,1,0,0|1,0,1]=4 8348 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [1,0,0,1,0,0|1,0,1]=4 8349 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [1,0,0,1,0,0|1,0,1]=4 8350 B11R1.99 C=CCCCCSCC1CS1 62a_100000031435_100011215482 [1,0,0,1,0,0|1,1,0]=4 8351 B11R1.99 C=CCCCCSCC1CS1 62a_100011215482_100000031435 [1,0,0,1,0,0|1,1,0]=4 8352 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [1,0,0,1,0,0|1,0,1]=4 8353 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [1,0,0,1,0,0|1,0,1]=4 8354 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [1,0,0,1,0,0|1,0,1]=4 8355 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [1,0,0,1,0,0|1,0,1]=4 8356 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [1,0,0,1,0,0|1,0,1]=4 8357 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [1,0,0,1,0,0|1,0,1]=4 8358 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [1,0,0,1,0,0|1,0,1]=4 8359 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [1,0,0,1,0,0|1,0,1]=4 8360 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [1,0,0,1,0,0|1,0,1]=4 8361 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [1,0,0,1,0,0|1,0,1]=4 8362 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [1,0,0,1,0,0|1,0,1]=4 8363 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [1,0,0,1,0,0|1,0,1]=4 8364 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [1,0,0,1,0,0|1,0,1]=4 8365 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [1,0,0,1,0,0|1,0,1]=4 8366 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [1,0,0,1,0,0|1,0,1]=4 8367 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [1,0,0,1,0,0|1,0,1]=4 8368 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [1,0,0,1,0,0|1,0,1]=4 8369 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [1,0,0,1,0,0|1,0,1]=4 8370 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [1,0,0,1,0,0|1,0,1]=4 8371 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [1,0,0,1,0,0|1,0,1]=4 8372 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [1,0,0,1,0,0|1,0,1]=4 8373 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [1,0,0,1,0,0|1,0,1]=4 8374 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [1,0,0,1,0,0|1,0,1]=4 8375 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [1,0,0,1,0,0|1,0,1]=4 8376 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [1,0,0,1,0,0|1,0,1]=4 8377 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [1,0,0,1,0,0|1,0,1]=4 8378 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [1,0,0,1,0,0|2,0,0]=4 8379 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [1,0,0,1,0,0|2,0,0]=4 8380 B11R1.99 O=CCCCCSCC1CS1 62a_100000031435_100000139335 [1,0,0,1,0,0|2,0,0]=4 8381 B11R1.99 O=CCCCCSCC1CS1 62a_100000139335_100000031435 [1,0,0,1,0,0|2,0,0]=4 8382 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [1,0,0,1,0,0|2,0,0]=4 8383 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [1,0,0,1,0,0|2,0,0]=4 8384 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [1,0,0,1,0,0|1,0,1]=4 8385 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [1,0,0,1,0,0|1,0,1]=4 8386 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [1,0,0,1,0,0|1,0,1]=4 8387 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [1,0,0,1,0,0|2,0,0]=4 8388 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [1,0,0,1,0,0|2,0,0]=4 8389 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [1,0,0,1,0,0|1,0,1]=4 8390 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [1,0,0,1,0,0|1,0,1]=4 8391 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [1,0,0,1,0,0|1,0,1]=4 8392 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|1,0,1]=4 8393 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [1,0,0,1,0,0|2,0,0]=4 8394 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [1,0,0,1,0,0|1,0,1]=4 8395 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [1,0,0,1,0,0|1,0,1]=4 8396 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [1,0,0,1,0,0|1,0,1]=4 8397 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [1,0,0,1,0,0|1,0,1]=4 8398 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [1,0,0,1,0,0|1,0,1]=4 8399 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [1,0,0,1,0,0|1,0,1]=4 8400 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [1,0,0,1,0,0|1,0,1]=4 8401 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [1,0,0,1,0,0|1,0,1]=4 8402 B11R1.180 C=CCCNC1CCCC1=O 2230a_100015191253_100000211823 [1,0,0,1,0,0|1,0,0]=3 8403 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [1,0,0,1,0,0|1,0,1]=4 8404 B11R1.180 C=CCCNC1CCNC1=O 2230a_100016995588_100000754431 [1,0,0,1,0,0|2,0,0]=4 8405 B11R1.180 C=CCCNC1CCNC1=O 34a_100016995588_100000754431 [1,0,0,1,0,0|2,0,0]=4 8406 B11R1.180 C=CCCNC1CCOC1=O 2230a_100015191253_100000211211 [1,0,0,1,0,0|2,0,0]=4 8407 B11R1.180 C=CCCOC1CCCC1=O 34a_100011205117_100000709159 [1,0,0,1,0,0|1,0,0]=3 8408 B11R1.180 C=CCCOC1CCCC1=O 34a_200000719330_100000754431 [1,0,0,1,0,0|1,0,0]=3 8409 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [1,0,0,1,0,0|1,0,1]=4 8410 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [1,0,0,1,0,0|1,0,1]=4 8411 B11R1.180 C=CCCOC1CCOC1=O 34a_100011205117_100000211211 [1,0,0,1,0,0|2,0,0]=4 8412 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000754431 [1,0,0,1,0,0|2,0,0]=4 8413 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000754431 [1,0,0,1,0,0|2,0,0]=4 8414 B11R1.180 C=CCCO[C@H]1CCNC1=O 34a_100000688343_100000754431 [1,0,0,1,0,0|2,0,0]=4 8415 B11R1.180 C=CCCSC1CCCC1=O 62a_100000211823_100000754431 [1,0,0,1,0,0|1,0,0]=3 8416 B11R1.180 C=CCCSC1CCCC1=O 62a_100000754431_100000211823 [1,0,0,1,0,0|1,0,0]=3 8417 B11R1.180 C=CCCSC1CCOC1=O 62a_100000211211_100000754431 [1,0,0,1,0,0|2,0,0]=4 8418 B11R1.180 C=CCCSC1CCOC1=O 62a_100000754431_100000211211 [1,0,0,1,0,0|2,0,0]=4 8419 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_100000754431_200016002552 [1,0,0,1,0,0|1,0,1]=4 8420 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000754431 [1,0,0,1,0,0|1,0,1]=4 8421 B11R1.180 C=CCOCC1CCNC1=O 34a_100000133458_100015514636 [1,0,0,1,0,0|2,0,0]=4 8422 B11R1.180 C=CCSCN1CCCC1=O 62a_100000026320_100000210623 [1,0,0,1,0,0|2,0,0]=4 8423 B11R1.180 C=CCSCN1CCCC1=O 62a_100000210623_100000026320 [1,0,0,1,0,0|2,0,0]=4 8424 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,1,0,0|1,0,1]=4 8425 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,1,0,0|1,0,1]=4 8426 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,1,0,0|1,0,1]=4 8427 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,1,0,0|1,0,1]=4 8428 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,1,0,0|1,0,1]=4 8429 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,1,0,0|1,0,1]=4 8430 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,1,0,0|1,0,1]=4 8431 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [1,0,0,1,0,0|1,0,1]=4 8432 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [1,0,0,1,0,0|1,0,1]=4 8433 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [1,0,0,1,0,0|1,0,1]=4 8434 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [1,0,0,1,0,0|1,0,1]=4 8435 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [1,0,0,1,0,0|2,0,0]=4 8436 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [1,0,0,1,0,0|2,0,0]=4 8437 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [1,0,0,1,0,0|2,0,0]=4 8438 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [1,0,0,1,0,0|2,0,0]=4 8439 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [1,0,0,1,0,0|2,0,0]=4 8440 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [1,0,0,1,0,0|2,0,0]=4 8441 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [1,0,0,1,0,0|2,0,0]=4 8442 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [1,0,0,1,0,0|2,0,0]=4 8443 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [1,0,0,1,0,0|2,0,0]=4 8444 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [1,0,0,1,0,0|2,0,0]=4 8445 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [1,0,0,1,0,0|2,0,0]=4 8446 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [1,0,0,1,0,0|2,0,0]=4 8447 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [1,0,0,1,0,0|1,0,1]=4 8448 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [1,0,0,1,0,0|1,0,1]=4 8449 B11R1.190 C=CCCCNC1CCC1=O 34a_100000700776_100009892977 [1,0,0,1,0,0|1,0,0]=3 8450 B11R1.190 C=CCCCOC1CCC1=O 34a_100000758997_100009892977 [1,0,0,1,0,0|1,0,0]=3 8451 B11R1.190 C=CCCCOC1CCC1=O 7a_100000758997_100009892977 [1,0,0,1,0,0|1,0,0]=3 8452 B11R1.190 C=CCCCSC1CCC1=O 62a_100009892977_100000757094 [1,0,0,1,0,0|1,0,0]=3 8453 B11R1.190 C=CCCCSC1CCC1=O 62a_100011713584_100009892977 [1,0,0,1,0,0|1,0,0]=3 8454 B11R1.190 C=CCNCCC1CCC1=O 2230a_100020586998_200016118888 [1,0,0,1,0,0|1,0,0]=3 8455 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [1,0,0,1,0,0|1,0,0]=3 8456 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [1,0,0,1,0,0|1,0,0]=3 8457 B11R1.190 C=COCCOC1CCC1=O 34a_100000033082_100009892977 [1,0,0,1,0,0|2,0,0]=4 8458 B11R1.190 C=COCCSC1CCC1=O 62a_100000039644_100009892977 [1,0,0,1,0,0|2,0,0]=4 8459 B11R1.190 C=COCCSC1CCC1=O 62a_100009892977_100000039644 [1,0,0,1,0,0|2,0,0]=4 8460 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [1,0,0,1,0,0|1,0,1]=4 8461 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,1,0,0|1,0,1]=4 8462 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,1,0,0|1,0,1]=4 8463 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,1,0,0|1,0,1]=4 8464 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,1,0,0|1,0,1]=4 8465 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,1,0,0|1,0,1]=4 8466 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,1,0,0|1,0,1]=4 8467 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 8468 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [1,0,0,1,0,0|2,0,0]=4 8469 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [1,0,0,1,0,0|2,0,0]=4 8470 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [1,0,0,1,0,0|2,0,0]=4 8471 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [1,0,0,1,0,0|2,0,0]=4 8472 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [1,0,0,1,0,0|2,0,0]=4 8473 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 8474 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [1,0,0,1,0,0|2,0,0]=4 8475 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 8476 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 8477 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 8478 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 8479 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [1,0,0,1,0,0|2,0,0]=4 8480 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [1,0,0,1,0,0|2,0,0]=4 8481 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [1,0,0,1,0,0|2,0,0]=4 8482 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 8483 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [1,0,0,1,0,0|2,0,0]=4 8484 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [1,0,0,1,0,0|2,0,0]=4 8485 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [1,0,0,1,0,0|2,0,0]=4 8486 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [1,0,0,1,0,0|2,0,0]=4 8487 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [1,0,0,1,0,0|2,0,0]=4 8488 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 8489 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 8490 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 8491 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,1,0,0|1,0,1]=4 8492 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,1,0,0|1,0,1]=4 8493 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,1,0,0|1,0,1]=4 8494 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,1,0,0|1,0,1]=4 8495 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,1,0,0|1,0,1]=4 8496 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,1,0,0|1,0,1]=4 8497 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,1,0,0|1,0,1]=4 8498 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,1,0,0|1,0,1]=4 8499 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|1,0,1]=4 8500 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|1,0,1]=4 8501 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|1,0,1]=4 8502 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|1,0,1]=4 8503 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|1,0,1]=4 8504 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|1,0,1]=4 8505 B13R1.6 C=CCCCCN1CCNC(=O)C1 2230a_100000184651_100011215482 [0,1,0,1,0,0|2,0,0]=4 8506 B13R1.6 C=CCCCCN1CCOC(=O)C1 2230a_100000131268_100011215482 [0,1,0,1,0,0|2,0,0]=4 8507 B13R1.6 C=CCCCNC1CCNC(=O)C1 2230a_100016994916_100011713584 [0,1,0,1,0,0|2,0,0]=4 8508 B13R1.6 C=CCCCNC1CCNC(=O)C1 34a_100016994916_100000757094 [0,1,0,1,0,0|2,0,0]=4 8509 B13R1.6 C=CCCCOC1C=C(CCC1)C 34a_100011218613_100000757094 [0,1,0,1,0,0|2,0,0]=4 8510 B13R1.6 C=CCCCOC1CCCC(=O)C1 34a_100012613340_100000757094 [0,1,0,1,0,0|1,0,0]=3 8511 B13R1.6 C=CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757094 [0,1,0,1,0,0|2,0,0]=4 8512 B13R1.6 C=CCCOCC1CCCC(=O)N1 34a_200000102386_100000754431 [0,1,0,1,0,0|1,0,0]=3 8513 B13R1.6 C=CCCOCC1CCNC(=O)C1 34a_100009886756_100000754431 [0,1,0,1,0,0|2,0,0]=4 8514 B13R1.6 C=CCCOCC1COCC(=O)N1 34a_200000101122_100000754431 [0,1,0,1,0,0|2,0,0]=4 8515 B13R1.6 C=COCCOC1CCCC(=O)C1 34a_100012613340_100000039644 [0,1,0,1,0,0|2,0,0]=4 8516 B13R1.42 C=CCC(C)COC1C=CCCC1 7a_100009832082_100000751183 [0,1,0,1,0,0|2,0,0]=4 8517 B13R1.119 C=CCCCCCCN1CC=CC1 269982a_100015195280_100011215473 [0,1,0,1,0,0|1,0,1]=4 8518 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [0,1,0,1,0,0|1,0,1]=4 8519 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [0,1,0,1,0,0|1,0,1]=4 8520 B13R1.119 C=CCCCCCCN1CCSC1 2230a_100011215254_100011215473 [0,1,0,1,0,0|2,0,0]=4 8521 B13R1.119 C=CCCCCCCN1CCSC1 269982a_100011215254_100011215473 [0,1,0,1,0,0|2,0,0]=4 8522 B13R1.119 C=CCCCCCNC1CC=CC1 2230a_100015188752_100000700193 [0,1,0,1,0,0|1,0,1]=4 8523 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [0,1,0,1,0,0|1,0,1]=4 8524 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [0,1,0,1,0,0|1,0,1]=4 8525 B13R1.119 C=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000700193 [0,1,0,1,0,0|2,0,0]=4 8526 B13R1.119 C=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000700193 [0,1,0,1,0,0|2,0,0]=4 8527 B13R1.119 C=CCCCCCN[C@H]1CCOC1 34a_100015188467_100000700193 [0,1,0,1,0,0|2,0,0]=4 8528 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [0,1,0,1,0,0|1,0,1]=4 8529 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [0,1,0,1,0,0|1,0,1]=4 8530 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [0,1,0,1,0,0|1,0,1]=4 8531 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [0,1,0,1,0,0|1,0,1]=4 8532 B13R1.119 C=CCCCCCOC1CCCO1 34a_100000085407_100000700193 [0,1,0,1,0,0|0,0,2]=4 8533 B13R1.119 C=CCCCCCOC1CCOC1 34a_100011216702_100000690089 [0,1,0,1,0,0|2,0,0]=4 8534 B13R1.119 C=CCCCCCOC1CCOC1 7a_100011216702_100000731011 [0,1,0,1,0,0|2,0,0]=4 8535 B13R1.119 C=CCCCCCOC1CCSC1 7a_100011232664_100000700193 [0,1,0,1,0,0|2,0,0]=4 8536 B13R1.119 C=CCCCCCO[C@H]1CCOC1 34a_100000717292_100000700193 [0,1,0,1,0,0|2,0,0]=4 8537 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [0,1,0,1,0,0|1,0,1]=4 8538 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [0,1,0,1,0,0|1,0,1]=4 8539 B13R1.119 C=CCCCCCSC1CCOC1 62a_100000700193_100000690089 [0,1,0,1,0,0|2,0,0]=4 8540 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [0,1,0,1,0,0|1,0,1]=4 8541 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [0,1,0,1,0,0|1,0,1]=4 8542 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [0,1,0,1,0,0|1,0,1]=4 8543 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [0,1,0,1,0,0|1,0,1]=4 8544 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [0,1,0,1,0,0|1,0,1]=4 8545 B13R1.119 C=CCCCCNCC1CCCO1 2230a_100000703577_100000203698 [0,1,0,1,0,0|0,0,2]=4 8546 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000703577_100000702531 [0,1,0,1,0,0|2,0,0]=4 8547 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000737293_100011215482 [0,1,0,1,0,0|2,0,0]=4 8548 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000703577_100011261433 [0,1,0,1,0,0|2,0,0]=4 8549 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000737293_100011215482 [0,1,0,1,0,0|2,0,0]=4 8550 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011215482 [0,1,0,1,0,0|0,0,2]=4 8551 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 34a_100020590478_100011215482 [0,1,0,1,0,0|0,0,2]=4 8552 B13R1.119 C=CCCCCOCC1CC=CC1 34a_100000688395_100011215482 [0,1,0,1,0,0|1,0,1]=4 8553 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [0,1,0,1,0,0|1,0,1]=4 8554 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [0,1,0,1,0,0|1,0,1]=4 8555 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [0,1,0,1,0,0|1,0,1]=4 8556 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [0,1,0,1,0,0|1,0,1]=4 8557 B13R1.119 C=CCCCCOCC1CCCO1 34a_100000210270_100011215482 [0,1,0,1,0,0|0,0,2]=4 8558 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000210270_100011215482 [0,1,0,1,0,0|0,0,2]=4 8559 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000766645_100000203698 [0,1,0,1,0,0|0,0,2]=4 8560 B13R1.119 C=CCCCCOCC1CCNC1 34a_100000748654_100011215482 [0,1,0,1,0,0|2,0,0]=4 8561 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000740260_100011215482 [0,1,0,1,0,0|2,0,0]=4 8562 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000766645_100011261433 [0,1,0,1,0,0|2,0,0]=4 8563 B13R1.119 C=CCCCCOCC1CCOC1 7a_100000766645_100000702531 [0,1,0,1,0,0|2,0,0]=4 8564 B13R1.119 C=CCCCCOC[C@H]1CCCN1 34a_100000745186_100011215482 [0,1,0,1,0,0|1,0,1]=4 8565 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [0,1,0,1,0,0|1,0,1]=4 8566 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [0,1,0,1,0,0|1,0,1]=4 8567 B13R1.119 C=CCCCCSCC1CCCO1 62a_100000203698_100011215482 [0,1,0,1,0,0|0,0,2]=4 8568 B13R1.119 C=CCCCCSCC1CCCO1 62a_100011215482_100000203698 [0,1,0,1,0,0|0,0,2]=4 8569 B13R1.119 C=CCCCCSCC1CCOC1 62a_100000702531_100011215482 [0,1,0,1,0,0|2,0,0]=4 8570 B13R1.119 C=CCCCCSCC1CCOC1 62a_100011215482_100000702531 [0,1,0,1,0,0|2,0,0]=4 8571 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [0,1,0,1,0,0|1,0,1]=4 8572 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [0,1,0,1,0,0|1,0,1]=4 8573 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [0,1,0,1,0,0|1,0,1]=4 8574 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [0,1,0,1,0,0|1,0,1]=4 8575 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [0,1,0,1,0,0|1,0,1]=4 8576 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [0,1,0,1,0,0|1,0,1]=4 8577 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [0,1,0,1,0,0|1,0,1]=4 8578 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [0,1,0,1,0,0|1,0,1]=4 8579 B13R1.119 C=CCCCOCCC1CCNC1 34a_100016987287_100000757094 [0,1,0,1,0,0|2,0,0]=4 8580 B13R1.119 C=CCCCOCCC1CCOC1 34a_100011879284_100000757094 [0,1,0,1,0,0|2,0,0]=4 8581 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [0,1,0,1,0,0|1,0,1]=4 8582 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [0,1,0,1,0,0|1,0,1]=4 8583 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [0,1,0,1,0,0|1,0,1]=4 8584 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [0,1,0,1,0,0|1,0,1]=4 8585 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [0,1,0,1,0,0|1,0,1]=4 8586 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [0,1,0,1,0,0|1,0,1]=4 8587 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [0,1,0,1,0,0|1,0,1]=4 8588 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [0,1,0,1,0,0|1,0,1]=4 8589 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [0,1,0,1,0,0|1,0,1]=4 8590 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [0,1,0,1,0,0|1,0,1]=4 8591 B13R1.119 O=CCCCCCNC1CC=CC1 2230a_100015188752_100000139337 [0,1,0,1,0,0|1,0,0]=3 8592 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [0,1,0,1,0,0|0,0,2]=4 8593 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [0,1,0,1,0,0|1,0,1]=4 8594 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [0,1,0,1,0,0|1,0,1]=4 8595 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [0,1,0,1,0,0|0,0,2]=4 8596 B13R1.119 O=CCCCCCOC1CCSC1 7a_100011232664_100000139337 [0,1,0,1,0,0|1,0,1]=4 8597 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [0,1,0,1,0,0|0,0,2]=4 8598 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [0,1,0,1,0,0|0,0,2]=4 8599 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [0,1,0,1,0,0|1,0,1]=4 8600 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [0,1,0,1,0,0|0,0,2]=4 8601 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [0,1,0,1,0,0|1,0,1]=4 8602 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [0,1,0,1,0,0|1,0,1]=4 8603 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [0,1,0,1,0,0|0,0,2]=4 8604 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [0,1,0,1,0,0|1,0,1]=4 8605 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [0,1,0,1,0,0|0,0,2]=4 8606 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [0,1,0,1,0,0|0,0,2]=4 8607 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [0,1,0,1,0,0|1,0,1]=4 8608 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [0,1,0,1,0,0|1,0,1]=4 8609 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [0,1,0,1,0,0|1,0,1]=4 8610 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [0,1,0,1,0,0|1,0,1]=4 8611 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [0,1,0,1,0,0|0,0,2]=4 8612 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [0,1,0,1,0,0|0,0,2]=4 8613 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [0,1,0,1,0,0|0,0,2]=4 8614 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [0,1,0,1,0,0|0,0,2]=4 8615 B13R1.190 C=CCCCNC1CC(OC1=O)C 2230a_100000700776_200000216747 [0,1,0,1,0,0|2,0,0]=4 8616 B13R1.190 C=CCCCNC1CC(OC1=O)C 34a_100000700776_200000216747 [0,1,0,1,0,0|2,0,0]=4 8617 B13R1.190 C=CCCCOC1CC(OC1=O)C 34a_100000758997_200000216747 [0,1,0,1,0,0|2,0,0]=4 8618 B13R1.190 C=CCCCOC1CC(OC1=O)C 7a_100000758997_200000216747 [0,1,0,1,0,0|2,0,0]=4 8619 B13R1.190 C=CCCCSC1CC(OC1=O)C 62a_100011713584_200000216747 [0,1,0,1,0,0|2,0,0]=4 8620 B13R1.190 C=CCCCSC1CC(OC1=O)C 62a_200000216747_100000757094 [0,1,0,1,0,0|2,0,0]=4 8621 B13R1.362 C=C1CC(C1)CNCCCCC=O 2230a_100102567296_100000139335 [0,1,0,1,0,0|1,0,0]=3 8622 B13R1.362 C=C1CC(C1)NCCCCCC=O 2230a_100132301982_100000139337 [0,1,0,1,0,0|1,0,0]=3 8623 B13R1.362 C=CCCCCCNC1CC(=C)C1 2230a_100132301982_100000700193 [0,1,0,1,0,0|2,0,0]=4 8624 B13R1.362 C=CCCCCCSC1CC(=O)C1 62a_100009894365_100000700193 [0,1,0,1,0,0|1,0,0]=3 8625 B13R1.362 C=CCCCCNCC1CC(=C)C1 2230a_100102567296_100011215482 [0,1,0,1,0,0|2,0,0]=4 8626 B13R1.362 C=CCCCCNCC1CC(=C)C1 34a_100102567296_100011215482 [0,1,0,1,0,0|2,0,0]=4 8627 B13R1.362 C=CCCCCNCC1CC(=O)C1 2230a_100000703577_100009874392 [0,1,0,1,0,0|1,0,0]=3 8628 B13R1.362 C=CCCCCOCC1CC(=C)C1 34a_100011011225_100011215482 [0,1,0,1,0,0|2,0,0]=4 8629 B13R1.362 C=CCCCCOCC1CC(=O)C1 34a_100000101936_100011215482 [0,1,0,1,0,0|1,0,0]=3 8630 B13R1.362 C=CCCCCOCC1CC(=O)C1 7a_100000766645_100009874392 [0,1,0,1,0,0|1,0,0]=3 8631 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100009874392_100011215482 [0,1,0,1,0,0|1,0,0]=3 8632 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100011215482_100009874392 [0,1,0,1,0,0|1,0,0]=3 8633 B13R1.362 C=CCOCCOCC1CC(=O)C1 7a_100000037705_100009874392 [0,1,0,1,0,0|2,0,0]=4 8634 B13R1.362 C=COCCCNCC1CC(=O)C1 2230a_100000210767_100009874392 [0,1,0,1,0,0|2,0,0]=4 8635 B13R1.362 O=CCCCCCSC1CC(=O)C1 62a_100009894365_100000139337 [0,1,0,1,0,0|1,0,1]=4 8636 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100000139335_100009874392 [0,1,0,1,0,0|1,0,1]=4 8637 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100009874392_100000139335 [0,1,0,1,0,0|1,0,1]=4 8638 B13R1.444 C=CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210623 [0,1,0,1,0,0|1,0,1]=4 8639 B13R1.444 C=CCC(=O)CCN1CCCC1=O 1458a_100000210193_100000742232 [0,1,0,1,0,0|1,0,1]=4 8640 B13R1.444 C=CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210623 [0,1,0,1,0,0|1,0,1]=4 8641 B13R1.444 C=CCC(C)COC1CCCC1=O 34a_100009832082_100000709159 [0,1,0,1,0,0|1,0,0]=3 8642 B13R1.444 C=CCC(C)COC1CCCC1=O 7a_100009832082_100000211823 [0,1,0,1,0,0|1,0,0]=3 8643 B13R1.444 C=CCC(C)COC1CCOC1=O 34a_100009832082_100000211211 [0,1,0,1,0,0|2,0,0]=4 8644 B13R1.444 C=CCC(C)COC1CCOC1=O 7a_100009832082_100000211211 [0,1,0,1,0,0|2,0,0]=4 8645 B13R1.444 C=CCN(C)CCN1CCCC1=O 2230a_100000225617_100000739059 [0,1,0,1,0,0|2,0,0]=4 8646 B13R1.444 C=CCN(C)CCN1CCCC1=O 269982a_100000225617_100000739059 [0,1,0,1,0,0|2,0,0]=4 8647 B13R1.444 C=CC[C@@H](N)COC1CCCC1=O 34a_100020615467_100000709159 [0,1,0,1,0,0|1,0,0]=3 8648 B13R1.444 C=CC[C@@H](N)COC1CCOC1=O 34a_100020615467_100000211211 [0,1,0,1,0,0|2,0,0]=4 8649 B13R1.461 C=CC[C@@H](C)OCCC1CCC1=O 7a_100000731007_200016118888 [0,1,0,1,0,0|1,0,0]=3 8650 B13R1.463 C=CCC(=O)C1CCCCCC1=O 1458a_100000210193_100000243696 [0,1,0,1,0,0|0,0,1]=3 8651 B13R1.463 C=CCC(=O)C1CCCCNC1=O 1458a_100000210193_100000735217 [0,1,0,1,0,0|1,0,1]=4 8652 B13R1.463 C=CCN(C)C1CCCCCC1=O 269982a_100000225617_100000243696 [0,1,0,1,0,0|1,0,0]=3 8653 B13R1.463 C=CCN(C)C1CCCCNC1=O 2230a_100000225617_100000735217 [0,1,0,1,0,0|2,0,0]=4 8654 B13R1.463 C=CCN(C)C1CCCCNC1=O 269982a_100000225617_100000735217 [0,1,0,1,0,0|2,0,0]=4 8655 B13R1.470 C=CC[C@@H](C)OC1CCCCC1=O 34a_100000731007_100000754470 [0,1,0,1,0,0|1,0,0]=3 8656 B13R1.470 C=CC[C@@H](C)OC1CCCCC1=O 7a_100000731007_100000204591 [0,1,0,1,0,0|1,0,0]=3 8657 B13R1.470 C=CC[C@@H](C)OC1CCCNC1=O 34a_100000731007_100000687798 [0,1,0,1,0,0|2,0,0]=4 8658 B13R1.470 C=CC[C@@H](C)OC1CCCNC1=O 7a_100000731007_100000687798 [0,1,0,1,0,0|2,0,0]=4 8659 B13R1.470 C=CC[C@@H](C)OC1COCCC1=O 34a_100000731007_100012180262 [0,1,0,1,0,0|2,0,0]=4 8660 B13R1.470 C=CC[C@@H](C)OC1COCCC1=O 7a_100000731007_100012180262 [0,1,0,1,0,0|2,0,0]=4 8661 B13R1.654 C#CCCCCNC1CCCC1=O 2230a_100000706060_100000211823 [0,1,0,1,0,0|0,0,2]=4 8662 B13R1.654 C#CCCCCNC1CCCC1=O 34a_100000706060_100000709159 [0,1,0,1,0,0|0,0,2]=4 8663 B13R1.654 C#CCCCCOC1CCCC1=O 34a_100000766709_100000709159 [0,1,0,1,0,0|0,0,2]=4 8664 B13R1.654 C#CCCCCOC1CCCC1=O 34a_200000719330_100010269958 [0,1,0,1,0,0|0,0,2]=4 8665 B13R1.654 C#CCCCCOC1CCCC1=O 7a_100000766709_100000211823 [0,1,0,1,0,0|0,0,2]=4 8666 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100000211823_100010269958 [0,1,0,1,0,0|0,0,2]=4 8667 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100010269958_100000211823 [0,1,0,1,0,0|0,0,2]=4 8668 B13R1.654 C/C=C/COCCN1CCCC1=O 34a_100000211209_100102629194 [0,1,0,1,0,0|2,0,0]=4 8669 B13R1.654 C/C=C/COCCN1CCCC1=O 34a_100016270725_100000739059 [0,1,0,1,0,0|2,0,0]=4 8670 B13R1.654 C/C=C/COCCN1CCCC1=O 7a_100000211209_100102629194 [0,1,0,1,0,0|2,0,0]=4 8671 B13R1.654 C/C=C/CSCCN1CCCC1=O 62a_100000739059_100102629194 [0,1,0,1,0,0|2,0,0]=4 8672 B13R1.654 C/C=C/CSCCN1CCCC1=O 62a_100102629194_100000739059 [0,1,0,1,0,0|2,0,0]=4 8673 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [0,1,0,1,0,0|1,0,1]=4 8674 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [0,1,0,1,0,0|1,0,1]=4 8675 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [0,1,0,1,0,0|1,0,1]=4 8676 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [0,1,0,1,0,0|1,0,1]=4 8677 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [0,1,0,1,0,0|1,0,1]=4 8678 B13R1.654 C=CCCCCNC1CCCC1=O 2230a_100000703577_100000211823 [0,1,0,1,0,0|0,0,0]=2 8679 B13R1.654 C=CCCCCNC1CCCC1=O 34a_100000703577_100000709159 [0,1,0,1,0,0|0,0,0]=2 8680 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [0,1,0,1,0,0|1,0,1]=4 8681 B13R1.654 C=CCCCCNC1CCNC1=O 2230a_100016995588_100011215482 [0,1,0,1,0,0|1,0,0]=3 8682 B13R1.654 C=CCCCCNC1CCNC1=O 34a_100016995588_100011215482 [0,1,0,1,0,0|1,0,0]=3 8683 B13R1.654 C=CCCCCNC1CCOC1=O 2230a_100000703577_100000211211 [0,1,0,1,0,0|1,0,0]=3 8684 B13R1.654 C=CCCCCNC1CCOC1=O 34a_100000703577_100000211211 [0,1,0,1,0,0|1,0,0]=3 8685 B13R1.654 C=CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100011215482 [0,1,0,1,0,0|2,0,0]=4 8686 B13R1.654 C=CCCCCN[C@@H]1CONC1=O 34a_100000765999_100011215482 [0,1,0,1,0,0|2,0,0]=4 8687 B13R1.654 C=CCCCCOC1CCCC1=O 34a_100000766645_100000709159 [0,1,0,1,0,0|0,0,0]=2 8688 B13R1.654 C=CCCCCOC1CCCC1=O 34a_200000719330_100011215482 [0,1,0,1,0,0|0,0,0]=2 8689 B13R1.654 C=CCCCCOC1CCCC1=O 7a_100000766645_100000211823 [0,1,0,1,0,0|0,0,0]=2 8690 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [0,1,0,1,0,0|1,0,1]=4 8691 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [0,1,0,1,0,0|1,0,1]=4 8692 B13R1.654 C=CCCCCOC1CCOC1=O 34a_100000766645_100000211211 [0,1,0,1,0,0|1,0,0]=3 8693 B13R1.654 C=CCCCCOC1CCOC1=O 7a_100000766645_100000211211 [0,1,0,1,0,0|1,0,0]=3 8694 B13R1.654 C=CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215482 [0,1,0,1,0,0|1,0,1]=4 8695 B13R1.654 C=CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215482 [0,1,0,1,0,0|1,0,1]=4 8696 B13R1.654 C=CCCCCO[C@H]1CCNC1=O 34a_100000688343_100011215482 [0,1,0,1,0,0|1,0,0]=3 8697 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100000211823_100011215482 [0,1,0,1,0,0|0,0,0]=2 8698 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100011215482_100000211823 [0,1,0,1,0,0|0,0,0]=2 8699 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100000211211_100011215482 [0,1,0,1,0,0|1,0,0]=3 8700 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100011215482_100000211211 [0,1,0,1,0,0|1,0,0]=3 8701 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_100011215482_200016002552 [0,1,0,1,0,0|0,0,2]=4 8702 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215482 [0,1,0,1,0,0|0,0,2]=4 8703 B13R1.654 C=CCCCOCC1=CCCC1=O 34a_100000087531_100000757094 [0,1,0,1,0,0|0,0,2]=4 8704 B13R1.654 C=CCCCOCC1CCCN1C 34a_100000743107_100000757094 [0,1,0,1,0,0|2,0,0]=4 8705 B13R1.654 C=CCCCOCC1CCNC1=O 34a_100000133458_100000757094 [0,1,0,1,0,0|1,0,0]=3 8706 B13R1.654 C=CCCCSCN1CCCC1=O 62a_100000026320_100000757094 [0,1,0,1,0,0|1,0,0]=3 8707 B13R1.654 C=CCCCSCN1CCCC1=O 62a_100011713584_100000026320 [0,1,0,1,0,0|1,0,0]=3 8708 B13R1.654 C=CCCNCCC1CCCN1C 2230a_100015191253_100000005710 [0,1,0,1,0,0|2,0,0]=4 8709 B13R1.654 C=CCCNCCN1CCCC1=O 2230a_100011200922_100000754431 [0,1,0,1,0,0|1,0,0]=3 8710 B13R1.654 C=CCCNCCN1CCCC1=O 2230a_100015191253_100000739059 [0,1,0,1,0,0|1,0,0]=3 8711 B13R1.654 C=CCCNCCN1CCNC1=O 2230a_100011207550_100000754431 [0,1,0,1,0,0|2,0,0]=4 8712 B13R1.654 C=CCCNCCN1CCNC1=O 2230a_100015191253_100000090651 [0,1,0,1,0,0|2,0,0]=4 8713 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011205117_100000005710 [0,1,0,1,0,0|2,0,0]=4 8714 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011215177_100000754431 [0,1,0,1,0,0|2,0,0]=4 8715 B13R1.654 C=CCCOCCC1CCCN1C 7a_100011215177_100000754431 [0,1,0,1,0,0|2,0,0]=4 8716 B13R1.654 C=CCCOCCN1CCCC1=O 34a_100000211209_100000754431 [0,1,0,1,0,0|1,0,0]=3 8717 B13R1.654 C=CCCOCCN1CCCC1=O 34a_100011205117_100000739059 [0,1,0,1,0,0|1,0,0]=3 8718 B13R1.654 C=CCCOCCN1CCCC1=O 7a_100000211209_100000754431 [0,1,0,1,0,0|1,0,0]=3 8719 B13R1.654 C=CCCOCCN1CCNC1=O 34a_100000216532_100000754431 [0,1,0,1,0,0|2,0,0]=4 8720 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000005710_100000754431 [0,1,0,1,0,0|2,0,0]=4 8721 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000754431_100000005710 [0,1,0,1,0,0|2,0,0]=4 8722 B13R1.654 C=CCCSCCN1CCCC1=O 62a_100000739059_100000754431 [0,1,0,1,0,0|1,0,0]=3 8723 B13R1.654 C=CCCSCCN1CCCC1=O 62a_100000754431_100000739059 [0,1,0,1,0,0|1,0,0]=3 8724 B13R1.654 C=CCCSCCN1CCNC1=O 62a_100000090651_100000754431 [0,1,0,1,0,0|2,0,0]=4 8725 B13R1.654 C=CCCSCCN1CCNC1=O 62a_100000754431_100000090651 [0,1,0,1,0,0|2,0,0]=4 8726 B13R1.654 C=CCNCCCN1CCCC1=O 2230a_100000210347_100000210623 [0,1,0,1,0,0|1,0,0]=3 8727 B13R1.654 C=CCNCCCN1CCCC1=O 34a_100000210347_100015514636 [0,1,0,1,0,0|1,0,0]=3 8728 B13R1.654 C=CCOCCCN1CCCC1=O 34a_100011216539_100015514636 [0,1,0,1,0,0|1,0,0]=3 8729 B13R1.654 C=CCOCCCN1CCCC1=O 7a_100011216539_100015514636 [0,1,0,1,0,0|1,0,0]=3 8730 B13R1.654 C=CCOCCOC1CCCC1=O 34a_100000037705_100000709159 [0,1,0,1,0,0|1,0,0]=3 8731 B13R1.654 C=CCOCCOC1CCCC1=O 7a_100000037705_100000211823 [0,1,0,1,0,0|1,0,0]=3 8732 B13R1.654 C=CCOCCOC1CCOC1=O 34a_100000037705_100000211211 [0,1,0,1,0,0|2,0,0]=4 8733 B13R1.654 C=CCOCCOC1CCOC1=O 7a_100000037705_100000211211 [0,1,0,1,0,0|2,0,0]=4 8734 B13R1.654 C=COCCCNC1CCCC1=O 2230a_100000210767_100000211823 [0,1,0,1,0,0|1,0,0]=3 8735 B13R1.654 C=COCCCNC1CCCC1=O 34a_100000210767_100000709159 [0,1,0,1,0,0|1,0,0]=3 8736 B13R1.654 C=COCCCNC1CCOC1=O 2230a_100000210767_100000211211 [0,1,0,1,0,0|2,0,0]=4 8737 B13R1.654 C=COCCCNC1CCOC1=O 34a_100000210767_100000211211 [0,1,0,1,0,0|2,0,0]=4 8738 B13R1.654 C=COCCOCC1CCNC1=O 34a_100000133458_100000039644 [0,1,0,1,0,0|2,0,0]=4 8739 B13R1.654 C=COCCSCN1CCCC1=O 62a_100000026320_100000039644 [0,1,0,1,0,0|2,0,0]=4 8740 B13R1.654 C=COCCSCN1CCCC1=O 62a_100000039644_100000026320 [0,1,0,1,0,0|2,0,0]=4 8741 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [0,1,0,1,0,0|0,0,2]=4 8742 B13R1.654 CC=CCCCOC1CCCC1=O 34a_100020645299_100000709159 [0,1,0,1,0,0|1,0,0]=3 8743 B13R1.654 CC=CCCCOC1CCOC1=O 34a_100020645299_100000211211 [0,1,0,1,0,0|2,0,0]=4 8744 B13R1.654 CC=CCNCCN1CCCC1=O 2230a_100011200922_100000070051 [0,1,0,1,0,0|2,0,0]=4 8745 B13R1.654 CC=CCOCCN1CCCC1=O 34a_100000211209_100000070051 [0,1,0,1,0,0|2,0,0]=4 8746 B13R1.654 CC=CCOCCN1CCCC1=O 7a_100000211209_100000070051 [0,1,0,1,0,0|2,0,0]=4 8747 B13R1.654 CC=CCSCCN1CCCC1=O 62a_100000070051_100000739059 [0,1,0,1,0,0|2,0,0]=4 8748 B13R1.654 CC=CCSCCN1CCCC1=O 62a_100000739059_100000070051 [0,1,0,1,0,0|2,0,0]=4 8749 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,1,0,1,0,0|0,0,2]=4 8750 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,1,0,0|0,0,2]=4 8751 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,1,0,0|0,0,2]=4 8752 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,1,0,0|0,0,2]=4 8753 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,1,0,1,0,0|0,0,2]=4 8754 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,1,0,1,0,0|0,0,2]=4 8755 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,1,0,1,0,0|1,0,1]=4 8756 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,1,0,1,0,0|1,0,1]=4 8757 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,1,0,1,0,0|1,0,1]=4 8758 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,1,0,1,0,0|1,0,1]=4 8759 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,1,0,1,0,0|1,0,1]=4 8760 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,1,0,1,0,0|1,0,1]=4 8761 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [0,1,0,1,0,0|0,0,2]=4 8762 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [0,1,0,1,0,0|0,0,2]=4 8763 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [0,1,0,1,0,0|0,0,2]=4 8764 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [0,1,0,1,0,0|0,0,2]=4 8765 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100000211823_100000211819 [0,1,0,1,0,0|1,0,1]=4 8766 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100011219923_100000211823 [0,1,0,1,0,0|1,0,1]=4 8767 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,1,0,1,0,0|1,0,1]=4 8768 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,1,0,1,0,0|1,0,1]=4 8769 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,1,0,1,0,0|1,0,1]=4 8770 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,1,0,1,0,0|1,0,1]=4 8771 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,1,0,1,0,0|1,0,1]=4 8772 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,1,0,1,0,0|1,0,1]=4 8773 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,1,0,1,0,0|1,0,1]=4 8774 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,1,0,1,0,0|1,0,1]=4 8775 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,1,0,1,0,0|1,0,1]=4 8776 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,1,0,1,0,0|1,0,1]=4 8777 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,1,0,1,0,0|1,0,1]=4 8778 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,1,0,1,0,0|1,0,1]=4 8779 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,1,0,1,0,0|1,0,1]=4 8780 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,1,0,1,0,0|1,0,1]=4 8781 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,1,0,1,0,0|1,0,1]=4 8782 B13R1.654 O=CCCCCNC1CCNC1=O 2230a_100016995588_100000139335 [0,1,0,1,0,0|2,0,0]=4 8783 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000139335_100000211823 [0,1,0,1,0,0|1,0,0]=3 8784 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000211823_100000139335 [0,1,0,1,0,0|1,0,0]=3 8785 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000139335_100000211211 [0,1,0,1,0,0|2,0,0]=4 8786 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000211211_100000139335 [0,1,0,1,0,0|2,0,0]=4 8787 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [0,1,0,1,0,0|1,0,1]=4 8788 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [0,1,0,1,0,0|1,0,1]=4 8789 B13R1.654 O=CCCCSCN1CCCC1=O 62a_100000026320_200011292268 [0,1,0,1,0,0|2,0,0]=4 8790 B13R1.654 O=CCCCSCN1CCCC1=O 62a_200011292268_100000026320 [0,1,0,1,0,0|2,0,0]=4 8791 B13R1.654 O=CCNCCCN1CCCC1=O 2230a_100000210347_200015260668 [0,1,0,1,0,0|2,0,0]=4 8792 B13R1.654 O=CCNCCCN1CCCC1=O 34a_100000210347_200009817547 [0,1,0,1,0,0|2,0,0]=4 8793 B13R1.654 O=CCOCCCN1CCCC1=O 34a_100011216539_200009817547 [0,1,0,1,0,0|2,0,0]=4 8794 B13R1.654 O=CCOCCCN1CCCC1=O 7a_100011216539_200015260668 [0,1,0,1,0,0|2,0,0]=4 8795 B13R1.657 C=CCN1CCC(C1)COCC=O 34a_100011652569_200009817547 [0,1,0,1,0,0|2,0,0]=4 8796 B13R1.28 BrCCCCCOC1C=CCCC1 7a_100000746331_100000751183 [0,1,0,1,0,0|1,0,1]=4 8797 B13R1.28 C#CCCCCNC1C=CCCC1 2230a_100000706060_100000751183 [0,1,0,1,0,0|1,0,1]=4 8798 B13R1.28 C#CCCCCOC1C=CCCC1 34a_100011215024_100010269958 [0,1,0,1,0,0|1,0,1]=4 8799 B13R1.28 C#CCCCCOC1C=CCCC1 7a_100000766709_100000751183 [0,1,0,1,0,0|1,0,1]=4 8800 B13R1.28 C#CCCCCSC1C=CCCC1 62a_100000751183_100010269958 [0,1,0,1,0,0|1,0,1]=4 8801 B13R1.28 C#CCCCCSC1C=CCCC1 62a_100010269958_100000751183 [0,1,0,1,0,0|1,0,1]=4 8802 B13R1.28 C=CCCCCCN1CC=CCC1 2230a_100000698166_100000700193 [0,1,0,1,0,0|1,0,1]=4 8803 B13R1.28 C=CCCCCCN1CC=CCC1 269982a_100000698166_100000700193 [0,1,0,1,0,0|1,0,1]=4 8804 B13R1.28 C=CCCCCCN1CC=CCC1 34a_100000698166_100000700193 [0,1,0,1,0,0|1,0,1]=4 8805 B13R1.28 C=CCCCCCN1CCCOC1 2230a_100000131196_100000700193 [0,1,0,1,0,0|2,0,0]=4 8806 B13R1.28 C=CCCCCCN1CCCOC1 269982a_100000131196_100000700193 [0,1,0,1,0,0|2,0,0]=4 8807 B13R1.28 C=CCCCCCN1CCCOC1 34a_100000131196_100000700193 [0,1,0,1,0,0|2,0,0]=4 8808 B13R1.28 C=CCCCCNC1C=CCCC1 2230a_100000703577_100000751183 [0,1,0,1,0,0|1,0,0]=3 8809 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [0,1,0,1,0,0|1,0,1]=4 8810 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [0,1,0,1,0,0|1,0,1]=4 8811 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [0,1,0,1,0,0|1,0,1]=4 8812 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [0,1,0,1,0,0|1,0,1]=4 8813 B13R1.28 C=CCCCCNC1CCCOC1 2230a_100000719290_100011215482 [0,1,0,1,0,0|2,0,0]=4 8814 B13R1.28 C=CCCCCNC1CCCOC1 270004a_100000703577_100000753404 [0,1,0,1,0,0|2,0,0]=4 8815 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000703577_100000693364 [0,1,0,1,0,0|2,0,0]=4 8816 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000719290_100011215482 [0,1,0,1,0,0|2,0,0]=4 8817 B13R1.28 C=CCCCCNC1CCCSC1 270004a_100000703577_100000057913 [0,1,0,1,0,0|2,0,0]=4 8818 B13R1.28 C=CCCCCOC1C=CCCC1 34a_100011215024_100011215482 [0,1,0,1,0,0|1,0,0]=3 8819 B13R1.28 C=CCCCCOC1C=CCCC1 7a_100000766645_100000751183 [0,1,0,1,0,0|1,0,0]=3 8820 B13R1.28 C=CCCCCOC1CC=CCC1 34a_100000073881_100011215482 [0,1,0,1,0,0|1,0,1]=4 8821 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [0,1,0,1,0,0|1,0,1]=4 8822 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [0,1,0,1,0,0|1,0,1]=4 8823 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [0,1,0,1,0,0|1,0,1]=4 8824 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [0,1,0,1,0,0|1,0,1]=4 8825 B13R1.28 C=CCCCCOC1CCCCO1 34a_100000033831_100011215482 [0,1,0,1,0,0|0,0,2]=4 8826 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000754041_100011215482 [0,1,0,1,0,0|2,0,0]=4 8827 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000766645_100000693364 [0,1,0,1,0,0|2,0,0]=4 8828 B13R1.28 C=CCCCCOC1CCCOC1 7a_100000766645_100000693364 [0,1,0,1,0,0|2,0,0]=4 8829 B13R1.28 C=CCCCCOC1CCCSC1 7a_100015962668_100011215482 [0,1,0,1,0,0|2,0,0]=4 8830 B13R1.28 C=CCCCCSC1C=CCCC1 62a_100000751183_100011215482 [0,1,0,1,0,0|1,0,0]=3 8831 B13R1.28 C=CCCCCSC1C=CCCC1 62a_100011215482_100000751183 [0,1,0,1,0,0|1,0,0]=3 8832 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [0,1,0,1,0,0|1,0,1]=4 8833 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [0,1,0,1,0,0|1,0,1]=4 8834 B13R1.28 C=CCCCCSC1CCCOC1 62a_100011215482_100000693364 [0,1,0,1,0,0|2,0,0]=4 8835 B13R1.28 C=CCCCNCC1CC=CCC1 270004a_100000700776_100000189434 [0,1,0,1,0,0|1,0,1]=4 8836 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [0,1,0,1,0,0|1,0,1]=4 8837 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [0,1,0,1,0,0|1,0,1]=4 8838 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [0,1,0,1,0,0|1,0,1]=4 8839 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [0,1,0,1,0,0|1,0,1]=4 8840 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [0,1,0,1,0,0|1,0,1]=4 8841 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000174945_100011713584 [0,1,0,1,0,0|0,0,2]=4 8842 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000700776_100000211543 [0,1,0,1,0,0|0,0,2]=4 8843 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000174945_100000757094 [0,1,0,1,0,0|0,0,2]=4 8844 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000700776_100000211543 [0,1,0,1,0,0|0,0,2]=4 8845 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000700776_100000741521 [0,1,0,1,0,0|2,0,0]=4 8846 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000720124_100011713584 [0,1,0,1,0,0|2,0,0]=4 8847 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000700776_100000741521 [0,1,0,1,0,0|2,0,0]=4 8848 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000720124_100000757094 [0,1,0,1,0,0|2,0,0]=4 8849 B13R1.28 C=CCCCOCC1CC=CCC1 34a_100000210713_100000757094 [0,1,0,1,0,0|1,0,1]=4 8850 B13R1.28 C=CCCCOCC1CCC=CO1 34a_100011217868_100000757094 [0,1,0,1,0,0|0,0,2]=4 8851 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [0,1,0,1,0,0|1,0,1]=4 8852 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [0,1,0,1,0,0|1,0,1]=4 8853 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [0,1,0,1,0,0|1,0,1]=4 8854 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [0,1,0,1,0,0|1,0,1]=4 8855 B13R1.28 C=CCCCOCC1CCCCN1 34a_100000210821_100000757094 [0,1,0,1,0,0|1,0,1]=4 8856 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000211370_100000757094 [0,1,0,1,0,0|0,0,2]=4 8857 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000758997_100000211543 [0,1,0,1,0,0|0,0,2]=4 8858 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000211370_100000757094 [0,1,0,1,0,0|0,0,2]=4 8859 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000758997_100000211543 [0,1,0,1,0,0|0,0,2]=4 8860 B13R1.28 C=CCCCOCC1CCCNC1 34a_100000211344_100000757094 [0,1,0,1,0,0|2,0,0]=4 8861 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000741520_100000757094 [0,1,0,1,0,0|2,0,0]=4 8862 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000758997_100000741521 [0,1,0,1,0,0|2,0,0]=4 8863 B13R1.28 C=CCCCOCC1CCCOC1 7a_100000758997_100000741521 [0,1,0,1,0,0|2,0,0]=4 8864 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [0,1,0,1,0,0|1,0,1]=4 8865 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [0,1,0,1,0,0|1,0,1]=4 8866 B13R1.28 C=CCCCSCC1CCCCO1 62a_100000211543_100000757094 [0,1,0,1,0,0|0,0,2]=4 8867 B13R1.28 C=CCCCSCC1CCCCO1 62a_100011713584_100000211543 [0,1,0,1,0,0|0,0,2]=4 8868 B13R1.28 C=CCCCSCC1CCCOC1 62a_100000741521_100000757094 [0,1,0,1,0,0|2,0,0]=4 8869 B13R1.28 C=CCCCSCC1CCCOC1 62a_100011713584_100000741521 [0,1,0,1,0,0|2,0,0]=4 8870 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [0,1,0,1,0,0|1,0,1]=4 8871 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [0,1,0,1,0,0|1,0,1]=4 8872 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [0,1,0,1,0,0|1,0,1]=4 8873 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [0,1,0,1,0,0|1,0,1]=4 8874 B13R1.28 C=CCCNCCC1CCCCO1 2230a_100015183643_100000754431 [0,1,0,1,0,0|0,0,2]=4 8875 B13R1.28 C=CCCNCCC1CCCCO1 34a_100015183643_100000754431 [0,1,0,1,0,0|0,0,2]=4 8876 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [0,1,0,1,0,0|1,0,1]=4 8877 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [0,1,0,1,0,0|1,0,1]=4 8878 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [0,1,0,1,0,0|1,0,1]=4 8879 B13R1.28 C=CCCOCCC1CCCCN1 34a_100000211664_100000754431 [0,1,0,1,0,0|1,0,1]=4 8880 B13R1.28 C=CCCOCCC1CCCNC1 34a_100000752241_100000754431 [0,1,0,1,0,0|2,0,0]=4 8881 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [0,1,0,1,0,0|1,0,1]=4 8882 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [0,1,0,1,0,0|1,0,1]=4 8883 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [0,1,0,1,0,0|1,0,1]=4 8884 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [0,1,0,1,0,0|1,0,1]=4 8885 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [0,1,0,1,0,0|1,0,1]=4 8886 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [0,1,0,1,0,0|1,0,1]=4 8887 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [0,1,0,1,0,0|1,0,1]=4 8888 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [0,1,0,1,0,0|1,0,1]=4 8889 B13R1.28 C=CCOCCCC1CCCCN1 34a_100011934581_100015514636 [0,1,0,1,0,0|1,0,1]=4 8890 B13R1.28 C=CCOCCCC1CCCNC1 34a_100150707839_100015514636 [0,1,0,1,0,0|2,0,0]=4 8891 B13R1.28 C=CCOCCOC1C=CCCC1 7a_100000037705_100000751183 [0,1,0,1,0,0|2,0,0]=4 8892 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [0,1,0,1,0,0|1,0,1]=4 8893 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [0,1,0,1,0,0|1,0,1]=4 8894 B13R1.28 C=COCCCNC1C=CCCC1 2230a_100000210767_100000751183 [0,1,0,1,0,0|2,0,0]=4 8895 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [0,1,0,1,0,0|1,0,1]=4 8896 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [0,1,0,1,0,0|1,0,1]=4 8897 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [0,1,0,1,0,0|1,0,1]=4 8898 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [0,1,0,1,0,0|1,0,1]=4 8899 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [0,1,0,1,0,0|1,0,1]=4 8900 B13R1.28 COCCCCOC1C=CCCC1 34a_100011215024_100000755781 [0,1,0,1,0,0|2,0,0]=4 8901 B13R1.28 COCCCCSC1C=CCCC1 62a_100000730899_100000751183 [0,1,0,1,0,0|2,0,0]=4 8902 B13R1.28 COCCCCSC1C=CCCC1 62a_100000751183_100000730899 [0,1,0,1,0,0|2,0,0]=4 8903 B13R1.28 CSCCCCOC1C=CCCC1 7a_100011217163_100000751183 [0,1,0,1,0,0|2,0,0]=4 8904 B13R1.28 ClCCCCCOC1C=CCCC1 7a_100000746330_100000751183 [0,1,0,1,0,0|1,0,1]=4 8905 B13R1.28 FCCCCCOC1C=CCCC1 34a_100011215024_100000729378 [0,1,0,1,0,0|1,0,1]=4 8906 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000729378_100000751183 [0,1,0,1,0,0|1,0,1]=4 8907 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000751183_100000729378 [0,1,0,1,0,0|1,0,1]=4 8908 B13R1.28 ICCCCCOC1C=CCCC1 7a_200012148887_100000751183 [0,1,0,1,0,0|1,0,1]=4 8909 B13R1.28 N#CCCCCSC1C=CCCC1 62a_100000751183_100000211819 [0,1,0,1,0,0|1,0,1]=4 8910 B13R1.28 N#CCCCCSC1C=CCCC1 62a_100011219923_100000751183 [0,1,0,1,0,0|1,0,1]=4 8911 B13R1.28 O=CCCCCCN1CC=CCC1 2230a_100000698166_100000139337 [0,1,0,1,0,0|1,0,0]=3 8912 B13R1.28 O=CCCCCCN1CC=CCC1 269982a_100000698166_100000139337 [0,1,0,1,0,0|1,0,0]=3 8913 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [0,1,0,1,0,0|1,0,1]=4 8914 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [0,1,0,1,0,0|1,0,1]=4 8915 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [0,1,0,1,0,0|0,0,2]=4 8916 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [0,1,0,1,0,0|1,0,1]=4 8917 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [0,1,0,1,0,0|0,0,2]=4 8918 B13R1.28 O=CCCCCOC1CCCSC1 7a_100015962668_100000139335 [0,1,0,1,0,0|1,0,1]=4 8919 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000139335_100000751183 [0,1,0,1,0,0|0,0,0]=2 8920 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000751183_100000139335 [0,1,0,1,0,0|0,0,0]=2 8921 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [0,1,0,1,0,0|0,0,2]=4 8922 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [0,1,0,1,0,0|0,0,2]=4 8923 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [0,1,0,1,0,0|1,0,1]=4 8924 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [0,1,0,1,0,0|0,0,2]=4 8925 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [0,1,0,1,0,0|1,0,1]=4 8926 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [0,1,0,1,0,0|1,0,1]=4 8927 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [0,1,0,1,0,0|0,0,2]=4 8928 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [0,1,0,1,0,0|1,0,1]=4 8929 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [0,1,0,1,0,0|0,0,2]=4 8930 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [0,1,0,1,0,0|0,0,2]=4 8931 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [0,1,0,1,0,0|1,0,1]=4 8932 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [0,1,0,1,0,0|1,0,1]=4 8933 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [0,1,0,1,0,0|1,0,1]=4 8934 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [0,1,0,1,0,0|1,0,1]=4 8935 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [0,1,0,1,0,0|0,0,2]=4 8936 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [0,1,0,1,0,0|0,0,2]=4 8937 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [0,1,0,1,0,0|0,0,2]=4 8938 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [0,1,0,1,0,0|0,0,2]=4 8939 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [0,1,0,1,0,0|1,0,1]=4 8940 B13R1.28 O=CCOCCCC1CCCNC1 34a_100150707839_200009817547 [0,1,0,1,0,0|1,0,1]=4 8941 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [0,1,0,1,0,0|0,0,2]=4 8942 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [0,1,0,1,0,0|0,0,2]=4 8943 B13R1.28 OCCCCCNC1C=CCCC1 2230a_100000762737_100000751183 [0,1,0,1,0,0|0,0,2]=4 8944 B13R1.28 OCCCCCOC1C=CCCC1 34a_100011215024_100000746330 [0,1,0,1,0,0|0,0,2]=4 8945 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000746330_100000751183 [0,1,0,1,0,0|0,0,2]=4 8946 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000751183_100000746330 [0,1,0,1,0,0|0,0,2]=4 8947 B13R1.34 C#CCCSC1CCCCCC1=O 62a_100000243696_100000688953 [0,1,0,1,0,0|0,0,2]=4 8948 B13R1.34 C#CCCSC1CCCCCC1=O 62a_100000688953_100000243696 [0,1,0,1,0,0|0,0,2]=4 8949 B13R1.34 C/C=C/CNC1CCCCNC1=O 34a_100000698827_100102629194 [0,1,0,1,0,0|2,0,0]=4 8950 B13R1.34 C/C=C/CSC1CCCCCC1=O 62a_100000243696_100102629194 [0,1,0,1,0,0|1,0,0]=3 8951 B13R1.34 C/C=C/CSC1CCCCCC1=O 62a_100102629194_100000243696 [0,1,0,1,0,0|1,0,0]=3 8952 B13R1.34 C/C=C/CSC1CCCCNC1=O 62a_100000735217_100102629194 [0,1,0,1,0,0|2,0,0]=4 8953 B13R1.34 C/C=C/CSC1CCCCNC1=O 62a_100102629194_100000735217 [0,1,0,1,0,0|2,0,0]=4 8954 B13R1.34 C=CCCNC1CCCCNC1=O 2230a_100000698827_100000754431 [0,1,0,1,0,0|1,0,0]=3 8955 B13R1.34 C=CCCNC1CCCCNC1=O 2230a_100015191253_100000735217 [0,1,0,1,0,0|1,0,0]=3 8956 B13R1.34 C=CCCNC1CCCCNC1=O 34a_100000698827_100000754431 [0,1,0,1,0,0|1,0,0]=3 8957 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000243696_100000754431 [0,1,0,1,0,0|0,0,0]=2 8958 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000754431_100000243696 [0,1,0,1,0,0|0,0,0]=2 8959 B13R1.34 C=CCCSC1CCCCNC1=O 62a_100000735217_100000754431 [0,1,0,1,0,0|1,0,0]=3 8960 B13R1.34 C=CCCSC1CCCCNC1=O 62a_100000754431_100000735217 [0,1,0,1,0,0|1,0,0]=3 8961 B13R1.34 CC=CCNC1CCCCNC1=O 2230a_100000698827_100000070051 [0,1,0,1,0,0|2,0,0]=4 8962 B13R1.34 CC=CCNC1CCCCNC1=O 34a_100000698827_100000070051 [0,1,0,1,0,0|2,0,0]=4 8963 B13R1.34 CC=CCSC1CCCCCC1=O 62a_100000070051_100000243696 [0,1,0,1,0,0|1,0,0]=3 8964 B13R1.34 CC=CCSC1CCCCCC1=O 62a_100000243696_100000070051 [0,1,0,1,0,0|1,0,0]=3 8965 B13R1.34 CC=CCSC1CCCCNC1=O 62a_100000070051_100000735217 [0,1,0,1,0,0|2,0,0]=4 8966 B13R1.34 CC=CCSC1CCCCNC1=O 62a_100000735217_100000070051 [0,1,0,1,0,0|2,0,0]=4 8967 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,1,0,1,0,0|0,0,2]=4 8968 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,1,0,1,0,0|0,0,2]=4 8969 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,1,0,1,0,0|0,0,2]=4 8970 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,1,0,1,0,0|0,0,2]=4 8971 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,1,0,1,0,0|1,0,1]=4 8972 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,1,0,1,0,0|1,0,1]=4 8973 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,1,0,1,0,0|1,0,1]=4 8974 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,1,0,1,0,0|1,0,1]=4 8975 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [0,1,0,1,0,0|1,0,1]=4 8976 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [0,1,0,1,0,0|1,0,1]=4 8977 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [0,1,0,1,0,0|1,0,1]=4 8978 B13R1.34 N#CCCSC1CCCCCC1=O 62a_100000243696_100011215226 [0,1,0,1,0,0|1,0,1]=4 8979 B13R1.34 N#CCCSC1CCCCCC1=O 62a_100011215226_100000243696 [0,1,0,1,0,0|1,0,1]=4 8980 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [0,1,0,1,0,0|1,0,1]=4 8981 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [0,1,0,1,0,0|1,0,1]=4 8982 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,1,0,1,0,0|1,0,1]=4 8983 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,1,0,1,0,0|1,0,1]=4 8984 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,1,0,1,0,0|1,0,1]=4 8985 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,1,0,1,0,0|1,0,1]=4 8986 B13R1.84 C#CC1CCCCN1CCCC=C 2230a_200020621307_100011713584 [0,1,0,1,0,0|1,0,1]=4 8987 B13R1.84 C#CC1CCCCN1CCCC=C 269982a_200020621307_100000757094 [0,1,0,1,0,0|1,0,1]=4 8988 B13R1.84 C#CC1CCCCN1CCCC=C 34a_200020621307_100000757094 [0,1,0,1,0,0|1,0,1]=4 8989 B13R1.84 C#CC1CCCCN1CCCC=O 2230a_200020621307_200011292268 [0,1,0,1,0,0|0,0,2]=4 8990 B13R1.84 C#CC1CCCCN1CCCC=O 269982a_200020621307_200011292268 [0,1,0,1,0,0|0,0,2]=4 8991 B13R1.84 C=CCCCN1CCCCC1C#N 34a_100016989756_100000757094 [0,1,0,1,0,0|1,0,1]=4 8992 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [0,1,0,1,0,0|1,0,1]=4 8993 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [0,1,0,1,0,0|1,0,1]=4 8994 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [0,1,0,1,0,0|1,0,1]=4 8995 B13R1.84 C=CCCCN1CCCCC1CO 2230a_100000210821_100011713584 [0,1,0,1,0,0|0,0,2]=4 8996 B13R1.84 C=CCCCN1CCCCC1CO 269982a_100000210821_100000757094 [0,1,0,1,0,0|0,0,2]=4 8997 B13R1.84 C=CCCCN1CCCCC1CO 34a_100000210821_100000757094 [0,1,0,1,0,0|0,0,2]=4 8998 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [0,1,0,1,0,0|1,0,1]=4 8999 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [0,1,0,1,0,0|1,0,1]=4 9000 B13R1.84 C=CCCNC1CCCCC1CO 270004a_100015191253_100009861125 [0,1,0,1,0,0|0,0,2]=4 9001 B13R1.84 C=CCCNC1CCCCC1OC 270004a_100015191253_100000740605 [0,1,0,1,0,0|2,0,0]=4 9002 B13R1.84 C=CCCNC1CCCCC1OC 34a_100011208099_100000754431 [0,1,0,1,0,0|2,0,0]=4 9003 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [0,1,0,1,0,0|1,0,1]=4 9004 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [0,1,0,1,0,0|1,0,1]=4 9005 B13R1.84 C=CCCOC1CCCCC1CN 34a_100011216029_100000754431 [0,1,0,1,0,0|1,0,1]=4 9006 B13R1.84 C=CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000754431 [0,1,0,1,0,0|2,0,0]=4 9007 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000754431 [0,1,0,1,0,0|2,0,0]=4 9008 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000754431 [0,1,0,1,0,0|2,0,0]=4 9009 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [0,1,0,1,0,0|0,0,2]=4 9010 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [0,1,0,1,0,0|0,0,2]=4 9011 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [0,1,0,1,0,0|1,0,1]=4 9012 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [0,1,0,1,0,0|1,0,1]=4 9013 B13R1.137 C=CCCCCN1CCCC1C#N 2230a_100000701862_100011215482 [0,1,0,1,0,0|1,0,1]=4 9014 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [0,1,0,1,0,0|1,0,1]=4 9015 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [0,1,0,1,0,0|1,0,1]=4 9016 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [0,1,0,1,0,0|1,0,1]=4 9017 B13R1.137 C=CCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100011215482 [0,1,0,1,0,0|1,0,1]=4 9018 B13R1.137 C=CCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100011215482 [0,1,0,1,0,0|1,0,1]=4 9019 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011215482 [0,1,0,1,0,0|0,0,2]=4 9020 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215482 [0,1,0,1,0,0|0,0,2]=4 9021 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 34a_100000745186_100011215482 [0,1,0,1,0,0|0,0,2]=4 9022 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [0,1,0,1,0,0|1,0,1]=4 9023 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [0,1,0,1,0,0|1,0,1]=4 9024 B13R1.137 C=CCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000757094 [0,1,0,1,0,0|1,0,1]=4 9025 B13R1.137 C=CCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000757094 [0,1,0,1,0,0|1,0,1]=4 9026 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [0,1,0,1,0,0|0,0,2]=4 9027 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [0,1,0,1,0,0|0,0,2]=4 9028 B13R1.137 N#CC1CCCN1CCCCC=O 2230a_100000701862_100000139335 [0,1,0,1,0,0|1,0,1]=4 9029 B13R1.137 N#C[C@@H]1CCC[C@H]1OCCCC=O 7a_100011907464_200011292268 [0,1,0,1,0,0|1,0,1]=4 9030 B13R1.137 N#C[C@H]1CCCN1CCCCC=O 2230a_106645074975_100000139335 [0,1,0,1,0,0|1,0,1]=4 9031 B13R1.137 N#C[C@H]1CCCN1CCCCC=O 269982a_106645074975_100000139335 [0,1,0,1,0,0|1,0,1]=4 9032 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [0,1,0,1,0,0|1,0,1]=4 9033 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [0,1,0,1,0,0|1,0,1]=4 9034 B13R1.192 C=CCCCCN1CCC1COC 2230a_100015195929_100011215482 [0,1,0,1,0,0|2,0,0]=4 9035 B13R1.192 C=CCCCCN1CCC1COC 269982a_100015195929_100011215482 [0,1,0,1,0,0|2,0,0]=4 9036 B13R1.192 C=CCCCCN1CCC1COC 34a_100015195929_100011215482 [0,1,0,1,0,0|2,0,0]=4 9037 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [0,1,0,1,0,0|1,0,1]=4 9038 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [0,1,0,1,0,0|1,0,1]=4 9039 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [0,1,0,1,0,0|1,0,1]=4 9040 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [0,1,0,1,0,0|1,0,1]=4 9041 B13R1.485 C=CCC1CCCCC1NCCF 269862a_100000724931_100011214939 [0,1,0,1,0,0|1,0,1]=4 9042 B13R1.485 C=CCC1CCCCC1NCCO 269862a_100000210304_100011214939 [0,1,0,1,0,0|0,0,2]=4 9043 B13R1.485 C=CCC1CCCCC1NCCO 270004a_100000210304_100011214939 [0,1,0,1,0,0|0,0,2]=4 9044 B13R1.485 C=CCCN1CCCCC1CC#N 2230a_100000133382_100000754431 [0,1,0,1,0,0|1,0,1]=4 9045 B13R1.485 C=CCCN1CCCCC1CC#N 34a_100000133382_100000754431 [0,1,0,1,0,0|1,0,1]=4 9046 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [0,1,0,1,0,0|1,0,1]=4 9047 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [0,1,0,1,0,0|1,0,1]=4 9048 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [0,1,0,1,0,0|1,0,1]=4 9049 B13R1.485 C=CCCN1CCCCC1CCO 2230a_100000211664_100000754431 [0,1,0,1,0,0|0,0,2]=4 9050 B13R1.485 C=CCCN1CCCCC1CCO 269982a_100000211664_100000754431 [0,1,0,1,0,0|0,0,2]=4 9051 B13R1.485 C=CCCN1CCCCC1CCO 34a_100000211664_100000754431 [0,1,0,1,0,0|0,0,2]=4 9052 B13R1.485 C=CCCN1CCCCC1COC 2230a_100015184032_100000754431 [0,1,0,1,0,0|2,0,0]=4 9053 B13R1.485 C=CCCN1CCCCC1COC 269982a_100015184032_100000754431 [0,1,0,1,0,0|2,0,0]=4 9054 B13R1.485 C=CCCN1CCCCC1COC 34a_100015184032_100000754431 [0,1,0,1,0,0|2,0,0]=4 9055 B13R1.485 C=CCN1CCCCC1CCCO 2230a_100011934581_100000210623 [0,1,0,1,0,0|0,0,2]=4 9056 B13R1.485 C=CCN1CCCCC1CCCO 269982a_100011934581_100000210623 [0,1,0,1,0,0|0,0,2]=4 9057 B13R1.485 C=CCN1CCCCC1CCCO 34a_100011934581_100015514636 [0,1,0,1,0,0|0,0,2]=4 9058 B13R1.485 C=CCN1CCCCC1CCOC 2230a_100015186528_100000210623 [0,1,0,1,0,0|2,0,0]=4 9059 B13R1.485 C=CCN1CCCCC1CCOC 269982a_100015186528_100000210623 [0,1,0,1,0,0|2,0,0]=4 9060 B13R1.485 C=CCN1CCCCC1CCOC 34a_100015186528_100015514636 [0,1,0,1,0,0|2,0,0]=4 9061 B13R1.485 C=CCNC1CCCCC1CC#N 270004a_100020586998_100009866218 [0,1,0,1,0,0|1,0,1]=4 9062 B13R1.485 C=CCNC1CCCCC1CC=C 270004a_100020586998_100011214939 [0,1,0,1,0,0|1,0,0]=3 9063 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [0,1,0,1,0,0|1,0,1]=4 9064 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [0,1,0,1,0,0|1,0,1]=4 9065 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [0,1,0,1,0,0|1,0,1]=4 9066 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [0,1,0,1,0,0|0,0,2]=4 9067 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [0,1,0,1,0,0|0,0,2]=4 9068 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [0,1,0,1,0,0|1,0,1]=4 9069 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [0,1,0,1,0,0|1,0,1]=4 9070 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [0,1,0,1,0,0|1,0,1]=4 9071 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [0,1,0,1,0,0|1,0,1]=4 9072 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [0,1,0,1,0,0|1,0,1]=4 9073 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [0,1,0,1,0,0|1,0,1]=4 9074 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [0,1,0,1,0,0|1,0,1]=4 9075 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [0,1,0,1,0,0|1,0,1]=4 9076 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [0,1,0,1,0,0|1,0,1]=4 9077 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [0,1,0,1,0,0|1,0,1]=4 9078 B13R1.555 C#CCCCNC1CCCCC1=O 34a_100000718082_100000754470 [0,1,0,1,0,0|0,0,2]=4 9079 B13R1.555 C#CCCCOC1CCCCC1=O 34a_100000215630_100000754470 [0,1,0,1,0,0|0,0,2]=4 9080 B13R1.555 C#CCCCOC1CCCCC1=O 34a_100011214950_100000695029 [0,1,0,1,0,0|0,0,2]=4 9081 B13R1.555 C#CCCCOC1CCCCC1=O 7a_100000215630_100000204591 [0,1,0,1,0,0|0,0,2]=4 9082 B13R1.555 C#CCCCSC1CCCCC1=O 62a_100000204591_100011215417 [0,1,0,1,0,0|0,0,2]=4 9083 B13R1.555 C#CCCCSC1CCCCC1=O 62a_100011215417_100000204591 [0,1,0,1,0,0|0,0,2]=4 9084 B13R1.555 C#CCCOCC1CCCCC1=O 34a_100009861125_100000688953 [0,1,0,1,0,0|0,0,2]=4 9085 B13R1.555 C#CCCOCC1CCCCC1=O 7a_100009861125_100000688953 [0,1,0,1,0,0|0,0,2]=4 9086 B13R1.555 C/C=C/CCOC1CCCCC1=O 34a_100016278192_100000754470 [0,1,0,1,0,0|1,0,0]=3 9087 B13R1.555 C/C=C/CCOC1CCCNC1=O 34a_100016278192_100000687798 [0,1,0,1,0,0|2,0,0]=4 9088 B13R1.555 C/C=C/CCOC1COCCC1=O 34a_100016278192_100012180262 [0,1,0,1,0,0|2,0,0]=4 9089 B13R1.555 C/C=C/COCC1CCCCC1=O 34a_100009861125_100102629194 [0,1,0,1,0,0|1,0,0]=3 9090 B13R1.555 C/C=C/COCC1CCCCC1=O 7a_100009861125_100102629194 [0,1,0,1,0,0|1,0,0]=3 9091 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [0,1,0,1,0,0|1,0,1]=4 9092 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [0,1,0,1,0,0|1,0,1]=4 9093 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [0,1,0,1,0,0|1,0,1]=4 9094 B13R1.555 C=CCCCNC1CCCCC1=O 34a_100000700776_100000754470 [0,1,0,1,0,0|0,0,0]=2 9095 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [0,1,0,1,0,0|1,0,1]=4 9096 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [0,1,0,1,0,0|1,0,1]=4 9097 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [0,1,0,1,0,0|1,0,1]=4 9098 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [0,1,0,1,0,0|1,0,1]=4 9099 B13R1.555 C=CCCCNC1CCCCC1F 34a_100000700776_100015423560 [0,1,0,1,0,0|1,0,1]=4 9100 B13R1.555 C=CCCCNC1CCCCC1O 34a_100000700776_100000038908 [0,1,0,1,0,0|0,0,2]=4 9101 B13R1.555 C=CCCCNC1CCCNC1=O 2230a_100000700776_100000687798 [0,1,0,1,0,0|1,0,0]=3 9102 B13R1.555 C=CCCCNC1CCCNC1=O 2230a_100000747585_100011713584 [0,1,0,1,0,0|1,0,0]=3 9103 B13R1.555 C=CCCCNC1CCCNC1=O 34a_100000700776_100000687798 [0,1,0,1,0,0|1,0,0]=3 9104 B13R1.555 C=CCCCNC1CCCNC1=O 34a_100000747585_100000757094 [0,1,0,1,0,0|1,0,0]=3 9105 B13R1.555 C=CCCCNC1COCCC1=O 34a_100000700776_100012180262 [0,1,0,1,0,0|1,0,0]=3 9106 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011713584 [0,1,0,1,0,0|1,0,1]=4 9107 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000757094 [0,1,0,1,0,0|1,0,1]=4 9108 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100000758997_100000754470 [0,1,0,1,0,0|0,0,0]=2 9109 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100011214950_100000757094 [0,1,0,1,0,0|0,0,0]=2 9110 B13R1.555 C=CCCCOC1CCCCC1=O 7a_100000758997_100000204591 [0,1,0,1,0,0|0,0,0]=2 9111 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [0,1,0,1,0,0|1,0,1]=4 9112 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [0,1,0,1,0,0|1,0,1]=4 9113 B13R1.555 C=CCCCOC1CCCCC1Cl 34a_100000038908_100000757094 [0,1,0,1,0,0|1,0,1]=4 9114 B13R1.555 C=CCCCOC1CCCCC1Cl 7a_100000038908_100000757094 [0,1,0,1,0,0|1,0,1]=4 9115 B13R1.555 C=CCCCOC1CCCCC1F 34a_100000758997_100015423560 [0,1,0,1,0,0|1,0,1]=4 9116 B13R1.555 C=CCCCOC1CCCCC1O 34a_100000758997_100000038908 [0,1,0,1,0,0|0,0,2]=4 9117 B13R1.555 C=CCCCOC1CCCNC1=O 34a_100000073722_100000757094 [0,1,0,1,0,0|1,0,0]=3 9118 B13R1.555 C=CCCCOC1CCCNC1=O 34a_100000758997_100000687798 [0,1,0,1,0,0|1,0,0]=3 9119 B13R1.555 C=CCCCOC1CCCNC1=O 7a_100000758997_100000687798 [0,1,0,1,0,0|1,0,0]=3 9120 B13R1.555 C=CCCCOC1COCCC1=O 34a_100000758997_100012180262 [0,1,0,1,0,0|1,0,0]=3 9121 B13R1.555 C=CCCCOC1COCCC1=O 7a_100000758997_100012180262 [0,1,0,1,0,0|1,0,0]=3 9122 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000757094 [0,1,0,1,0,0|1,0,1]=4 9123 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000757094 [0,1,0,1,0,0|1,0,1]=4 9124 B13R1.555 C=CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000757094 [0,1,0,1,0,0|1,0,1]=4 9125 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100000204591_100000757094 [0,1,0,1,0,0|0,0,0]=2 9126 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100011713584_100000204591 [0,1,0,1,0,0|0,0,0]=2 9127 B13R1.555 C=CCCCSC1CCCCC1F 62a_100011713584_100015423560 [0,1,0,1,0,0|1,0,1]=4 9128 B13R1.555 C=CCCCSC1CCCCC1F 62a_100015423560_100000757094 [0,1,0,1,0,0|1,0,1]=4 9129 B13R1.555 C=CCCCSC1CCCCC1O 62a_100000038908_100000757094 [0,1,0,1,0,0|0,0,2]=4 9130 B13R1.555 C=CCCCSC1CCCCC1O 62a_100011713584_100000038908 [0,1,0,1,0,0|0,0,2]=4 9131 B13R1.555 C=CCCCSC1CCCNC1=O 62a_100000687798_100000757094 [0,1,0,1,0,0|1,0,0]=3 9132 B13R1.555 C=CCCCSC1CCCNC1=O 62a_100011713584_100000687798 [0,1,0,1,0,0|1,0,0]=3 9133 B13R1.555 C=CCCCSC1COCCC1=O 62a_100011713584_100012180262 [0,1,0,1,0,0|1,0,0]=3 9134 B13R1.555 C=CCCCSC1COCCC1=O 62a_100012180262_100000757094 [0,1,0,1,0,0|1,0,0]=3 9135 B13R1.555 C=CCCNCC1CCCCC1O 34a_100011216029_100000754431 [0,1,0,1,0,0|0,0,2]=4 9136 B13R1.555 C=CCCNCC1CCCCN1C 34a_100011228421_100000754431 [0,1,0,1,0,0|2,0,0]=4 9137 B13R1.555 C=CCCOCC1CCCCC1=O 34a_100009861125_100000754431 [0,1,0,1,0,0|0,0,0]=2 9138 B13R1.555 C=CCCOCC1CCCCC1=O 7a_100009861125_100000754431 [0,1,0,1,0,0|0,0,0]=2 9139 B13R1.555 C=CCCOCC1CCCCN1C 34a_100000225079_100000754431 [0,1,0,1,0,0|2,0,0]=4 9140 B13R1.555 C=CCCOCC1CCCCN1C 34a_100011205117_100015186950 [0,1,0,1,0,0|2,0,0]=4 9141 B13R1.555 C=CCCSCC1CCCCN1C 62a_100000754431_100015185383 [0,1,0,1,0,0|2,0,0]=4 9142 B13R1.555 C=CCCSCC1CCCCN1C 62a_100015185383_100000754431 [0,1,0,1,0,0|2,0,0]=4 9143 B13R1.555 C=CCNCCC1CCCCN1C 2230a_100020586998_100000211948 [0,1,0,1,0,0|2,0,0]=4 9144 B13R1.555 C=CCNCCN1CCCCC1=O 2230a_100160573077_100000210623 [0,1,0,1,0,0|1,0,0]=3 9145 B13R1.555 C=CCNCCN1CCCCC1=O 34a_100160573077_100015514636 [0,1,0,1,0,0|1,0,0]=3 9146 B13R1.555 C=CCOCCC1CCCCN1C 34a_200000210373_100000211948 [0,1,0,1,0,0|2,0,0]=4 9147 B13R1.555 C=CCOCCC1NCCNC1=O 34a_100000044719_100015514636 [0,1,0,1,0,0|2,0,0]=4 9148 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000210623_100000211948 [0,1,0,1,0,0|2,0,0]=4 9149 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000211948_100000210623 [0,1,0,1,0,0|2,0,0]=4 9150 B13R1.555 C=COCCNC1CCCNC1=O 2230a_100000747585_100000039644 [0,1,0,1,0,0|2,0,0]=4 9151 B13R1.555 C=COCCNC1CCCNC1=O 34a_100000747585_100000039644 [0,1,0,1,0,0|2,0,0]=4 9152 B13R1.555 C=COCCOC1CCCCC1=O 34a_100000033082_100000754470 [0,1,0,1,0,0|1,0,0]=3 9153 B13R1.555 C=COCCOC1CCCCC1=O 34a_100011214950_100000039644 [0,1,0,1,0,0|1,0,0]=3 9154 B13R1.555 C=COCCOC1CCCNC1=O 34a_100000033082_100000687798 [0,1,0,1,0,0|2,0,0]=4 9155 B13R1.555 C=COCCOC1CCCNC1=O 34a_100000073722_100000039644 [0,1,0,1,0,0|2,0,0]=4 9156 B13R1.555 C=COCCOC1COCCC1=O 34a_100000033082_100012180262 [0,1,0,1,0,0|2,0,0]=4 9157 B13R1.555 C=COCCSC1CCCCC1=O 62a_100000039644_100000204591 [0,1,0,1,0,0|1,0,0]=3 9158 B13R1.555 C=COCCSC1CCCCC1=O 62a_100000204591_100000039644 [0,1,0,1,0,0|1,0,0]=3 9159 B13R1.555 C=COCCSC1CCCNC1=O 62a_100000039644_100000687798 [0,1,0,1,0,0|2,0,0]=4 9160 B13R1.555 C=COCCSC1CCCNC1=O 62a_100000687798_100000039644 [0,1,0,1,0,0|2,0,0]=4 9161 B13R1.555 C=COCCSC1COCCC1=O 62a_100000039644_100012180262 [0,1,0,1,0,0|2,0,0]=4 9162 B13R1.555 C=COCCSC1COCCC1=O 62a_100012180262_100000039644 [0,1,0,1,0,0|2,0,0]=4 9163 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [0,1,0,1,0,0|0,0,2]=4 9164 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [0,1,0,1,0,0|0,0,2]=4 9165 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [0,1,0,1,0,0|0,0,2]=4 9166 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [0,1,0,1,0,0|0,0,2]=4 9167 B13R1.555 CC=CCOCC1CCCCC1=O 34a_100009861125_100000070051 [0,1,0,1,0,0|1,0,0]=3 9168 B13R1.555 CC=CCOCC1CCCCC1=O 7a_100009861125_100000070051 [0,1,0,1,0,0|1,0,0]=3 9169 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,1,0,1,0,0|0,0,2]=4 9170 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,1,0,1,0,0|0,0,2]=4 9171 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,1,0,1,0,0|0,0,2]=4 9172 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,1,0,1,0,0|0,0,2]=4 9173 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,1,0,1,0,0|0,0,2]=4 9174 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,1,0,1,0,0|0,0,2]=4 9175 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,1,0,1,0,0|0,0,2]=4 9176 B13R1.555 CN1CCCCC1CCSCC=O 62a_100000211948_200015260668 [0,1,0,1,0,0|1,0,1]=4 9177 B13R1.555 CN1CCCCC1CCSCC=O 62a_200015260668_100000211948 [0,1,0,1,0,0|1,0,1]=4 9178 B13R1.555 CNCCCOC1CCCCC1=O 34a_100000213112_100000754470 [0,1,0,1,0,0|1,0,1]=4 9179 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [0,1,0,1,0,0|1,0,1]=4 9180 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [0,1,0,1,0,0|1,0,1]=4 9181 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [0,1,0,1,0,0|1,0,1]=4 9182 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [0,1,0,1,0,0|1,0,1]=4 9183 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [0,1,0,1,0,0|1,0,1]=4 9184 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [0,1,0,1,0,0|1,0,1]=4 9185 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [0,1,0,1,0,0|1,0,1]=4 9186 B13R1.555 CSCCCOC1CCCCC1=O 34a_100000690336_100000754470 [0,1,0,1,0,0|1,0,1]=4 9187 B13R1.555 CSCCCOC1CCCCC1=O 7a_100000690336_100000204591 [0,1,0,1,0,0|1,0,1]=4 9188 B13R1.555 CSCCOCC1CCCCC1=O 34a_100009861125_100000212216 [0,1,0,1,0,0|1,0,1]=4 9189 B13R1.555 CSCCOCC1CCCCC1=O 7a_100009861125_100000212216 [0,1,0,1,0,0|1,0,1]=4 9190 B13R1.555 N#CCCCSC1CCCCC1=O 62a_100000204591_100000687738 [0,1,0,1,0,0|1,0,1]=4 9191 B13R1.555 N#CCCCSC1CCCCC1=O 62a_100000687738_100000204591 [0,1,0,1,0,0|1,0,1]=4 9192 B13R1.555 N#CCCOCC1CCCCC1=O 7a_100009861125_100000184422 [0,1,0,1,0,0|1,0,1]=4 9193 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [0,1,0,1,0,0|1,0,1]=4 9194 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [0,1,0,1,0,0|1,0,1]=4 9195 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [0,1,0,1,0,0|1,0,1]=4 9196 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [0,1,0,1,0,0|1,0,1]=4 9197 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [0,1,0,1,0,0|1,0,1]=4 9198 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [0,1,0,1,0,0|1,0,1]=4 9199 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [0,1,0,1,0,0|1,0,1]=4 9200 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [0,1,0,1,0,0|1,0,1]=4 9201 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [0,1,0,1,0,0|1,0,1]=4 9202 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [0,1,0,1,0,0|1,0,1]=4 9203 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [0,1,0,1,0,0|1,0,1]=4 9204 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [0,1,0,1,0,0|1,0,1]=4 9205 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [0,1,0,1,0,0|1,0,1]=4 9206 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [0,1,0,1,0,0|1,0,1]=4 9207 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [0,1,0,1,0,0|1,0,1]=4 9208 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [0,1,0,1,0,0|1,0,1]=4 9209 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [0,1,0,1,0,0|1,0,1]=4 9210 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [0,1,0,1,0,0|1,0,1]=4 9211 B13R1.555 O=CCCCNC1CCCNC1=O 2230a_100000747585_200011292268 [0,1,0,1,0,0|2,0,0]=4 9212 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [0,1,0,1,0,0|1,0,1]=4 9213 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [0,1,0,1,0,0|1,0,1]=4 9214 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [0,1,0,1,0,0|1,0,1]=4 9215 B13R1.555 O=CCCCSC1CCCCC1=O 62a_100000204591_200011292268 [0,1,0,1,0,0|1,0,0]=3 9216 B13R1.555 O=CCCCSC1CCCCC1=O 62a_200011292268_100000204591 [0,1,0,1,0,0|1,0,0]=3 9217 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [0,1,0,1,0,0|1,0,1]=4 9218 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [0,1,0,1,0,0|1,0,1]=4 9219 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [0,1,0,1,0,0|1,0,1]=4 9220 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [0,1,0,1,0,0|1,0,1]=4 9221 B13R1.555 O=CCCCSC1CCCNC1=O 62a_100000687798_200011292268 [0,1,0,1,0,0|2,0,0]=4 9222 B13R1.555 O=CCCCSC1CCCNC1=O 62a_200011292268_100000687798 [0,1,0,1,0,0|2,0,0]=4 9223 B13R1.555 O=CCCCSC1COCCC1=O 62a_100012180262_200011292268 [0,1,0,1,0,0|2,0,0]=4 9224 B13R1.555 O=CCCCSC1COCCC1=O 62a_200011292268_100012180262 [0,1,0,1,0,0|2,0,0]=4 9225 B13R1.555 O=CCNCCN1CCCCC1=O 2230a_100160573077_200015260668 [0,1,0,1,0,0|2,0,0]=4 9226 B13R1.555 O=CCNCCN1CCCCC1=O 34a_100160573077_200009817547 [0,1,0,1,0,0|2,0,0]=4 9227 B13R1.559 C=CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215473 [0,1,0,1,0,0|1,0,1]=4 9228 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215473 [0,1,0,1,0,0|1,0,1]=4 9229 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215473 [0,1,0,1,0,0|1,0,1]=4 9230 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [0,1,0,1,0,0|1,0,1]=4 9231 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [0,1,0,1,0,0|1,0,1]=4 9232 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [0,1,0,1,0,0|0,0,2]=4 9233 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [0,1,0,1,0,0|1,0,1]=4 9234 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [0,1,0,1,0,0|1,0,1]=4 9235 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [0,1,0,1,0,0|1,0,1]=4 9236 B13R1.560 C=CCCCCCCNC1COC1 2230a_100016991112_100011215473 [0,1,0,1,0,0|2,0,0]=4 9237 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [0,1,0,1,0,0|1,0,1]=4 9238 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [0,1,0,1,0,0|1,0,1]=4 9239 B13R1.560 C=CCCCCCCOC1COC1 34a_200011216477_100009818527 [0,1,0,1,0,0|2,0,0]=4 9240 B13R1.560 C=CCCCCCCOC1COC1 7a_200011216477_100009818527 [0,1,0,1,0,0|2,0,0]=4 9241 B13R1.560 C=CCCCCCCOC1CSC1 7a_100000072292_100011215473 [0,1,0,1,0,0|2,0,0]=4 9242 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [0,1,0,1,0,0|1,0,1]=4 9243 B13R1.560 C=CCCCCCCSC1COC1 62a_100011215473_100009818527 [0,1,0,1,0,0|2,0,0]=4 9244 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [0,1,0,1,0,0|1,0,1]=4 9245 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [0,1,0,1,0,0|1,0,1]=4 9246 B13R1.560 C=CCCCCCNCC1COC1 2230a_100015281925_100000700193 [0,1,0,1,0,0|2,0,0]=4 9247 B13R1.560 C=CCCCCCNCC1COC1 34a_100015281925_100000700193 [0,1,0,1,0,0|2,0,0]=4 9248 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000700193 [0,1,0,1,0,0|0,0,2]=4 9249 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000700193 [0,1,0,1,0,0|0,0,2]=4 9250 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [0,1,0,1,0,0|1,0,1]=4 9251 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [0,1,0,1,0,0|1,0,1]=4 9252 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [0,1,0,1,0,0|1,0,1]=4 9253 B13R1.560 C=CCCCCCOCC1CCO1 34a_100000039022_100000700193 [0,1,0,1,0,0|0,0,2]=4 9254 B13R1.560 C=CCCCCCOCC1CCO1 34a_100011216702_100000103362 [0,1,0,1,0,0|0,0,2]=4 9255 B13R1.560 C=CCCCCCOCC1CCO1 7a_100011216702_100000103362 [0,1,0,1,0,0|0,0,2]=4 9256 B13R1.560 C=CCCCCCOCC1CNC1 34a_100016987283_100000700193 [0,1,0,1,0,0|2,0,0]=4 9257 B13R1.560 C=CCCCCCOCC1COC1 34a_100000060846_100000700193 [0,1,0,1,0,0|2,0,0]=4 9258 B13R1.560 C=CCCCCCOCC1COC1 34a_100011216702_100010264016 [0,1,0,1,0,0|2,0,0]=4 9259 B13R1.560 C=CCCCCCOCC1COC1 7a_100011216702_100010264016 [0,1,0,1,0,0|2,0,0]=4 9260 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [0,1,0,1,0,0|1,0,1]=4 9261 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [0,1,0,1,0,0|1,0,1]=4 9262 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000103362_100000700193 [0,1,0,1,0,0|0,0,2]=4 9263 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000700193_100000103362 [0,1,0,1,0,0|0,0,2]=4 9264 B13R1.560 C=CCCCCCSCC1COC1 62a_100000700193_100010264016 [0,1,0,1,0,0|2,0,0]=4 9265 B13R1.560 C=CCCCCCSCC1COC1 62a_100010264016_100000700193 [0,1,0,1,0,0|2,0,0]=4 9266 B13R1.560 C=CCCCCOCCC1COC1 34a_100009855314_100011215482 [0,1,0,1,0,0|2,0,0]=4 9267 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [0,1,0,1,0,0|0,0,2]=4 9268 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [0,1,0,1,0,0|1,0,1]=4 9269 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [0,1,0,1,0,0|1,0,1]=4 9270 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [0,1,0,1,0,0|0,0,2]=4 9271 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [0,1,0,1,0,0|0,0,2]=4 9272 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [0,1,0,1,0,0|1,0,1]=4 9273 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [0,1,0,1,0,0|1,0,1]=4 9274 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [0,1,0,1,0,0|1,0,1]=4 9275 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [0,1,0,1,0,0|1,0,1]=4 9276 B13R1.579 C=CCNC1CCCC1CCC#N 270004a_100020586998_100000073560 [0,1,0,1,0,0|1,0,1]=4 9277 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [0,1,0,1,0,0|1,0,1]=4 9278 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [0,1,0,1,0,0|1,0,1]=4 9279 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [0,1,0,1,0,0|1,0,1]=4 9280 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [0,1,0,1,0,0|1,0,1]=4 9281 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [0,1,0,1,0,0|1,0,1]=4 9282 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [0,1,0,1,0,0|1,0,1]=4 9283 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [0,1,0,1,0,0|1,0,1]=4 9284 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [0,1,0,1,0,0|1,0,1]=4 9285 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [0,1,0,1,0,0|1,0,1]=4 9286 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [0,1,0,1,0,0|0,0,2]=4 9287 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [0,1,0,1,0,0|0,0,2]=4 9288 B13R1.659 C=CCCCCCCOCC1CS1 7a_200011216477_100000031435 [0,1,0,1,0,0|0,1,1]=4 9289 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [0,1,0,1,0,0|0,0,2]=4 9290 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [0,1,0,1,0,0|0,0,2]=4 9291 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [0,1,0,1,0,0|1,0,1]=4 9292 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [0,1,0,1,0,0|1,0,1]=4 9293 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [0,1,0,1,0,0|0,0,2]=4 9294 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [0,1,0,1,0,0|0,0,2]=4 9295 B13R1.659 C=CCCCCCCSCC1CS1 62a_100000031435_100011215473 [0,1,0,1,0,0|0,1,1]=4 9296 B13R1.659 C=CCCCCCCSCC1CS1 62a_100011215473_100000031435 [0,1,0,1,0,0|0,1,1]=4 9297 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [0,1,0,1,0,0|0,0,2]=4 9298 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [0,1,0,1,0,0|0,0,2]=4 9299 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [0,1,0,1,0,0|1,0,1]=4 9300 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [0,1,0,1,0,0|1,0,1]=4 9301 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [0,1,0,1,0,0|1,0,1]=4 9302 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [0,1,0,1,0,0|1,0,1]=4 9303 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [0,1,0,1,0,0|1,0,1]=4 9304 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [0,1,0,1,0,0|0,0,2]=4 9305 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [0,1,0,1,0,0|0,0,2]=4 9306 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [0,1,0,1,0,0|0,0,2]=4 9307 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [0,1,0,1,0,0|1,0,1]=4 9308 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [0,1,0,1,0,0|1,0,1]=4 9309 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [0,1,0,1,0,0|0,0,2]=4 9310 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [0,1,0,1,0,0|0,0,2]=4 9311 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [0,1,0,1,0,0|0,0,2]=4 9312 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [0,1,0,1,0,0|0,0,2]=4 9313 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [0,1,0,1,0,0|0,0,2]=4 9314 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [0,1,0,1,0,0|0,0,2]=4 9315 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [0,1,0,1,0,0|0,0,2]=4 9316 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [0,1,0,1,0,0|0,0,2]=4 9317 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [0,1,0,1,0,0|0,0,2]=4 9318 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [0,1,0,1,0,0|0,0,2]=4 9319 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [0,1,0,1,0,0|0,0,2]=4 9320 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [0,1,0,1,0,0|1,0,1]=4 9321 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [0,1,0,1,0,0|1,0,1]=4 9322 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [0,1,0,1,0,0|1,0,1]=4 9323 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [0,1,0,1,0,0|1,0,1]=4 9324 B13R1.667 C#CCCCCCOC1CCC1=O 34a_100000766912_100009892977 [0,1,0,1,0,0|0,0,2]=4 9325 B13R1.667 C#CCCCCCOC1CCC1=O 7a_100000766912_100009892977 [0,1,0,1,0,0|0,0,2]=4 9326 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100009892977_100012094781 [0,1,0,1,0,0|0,0,2]=4 9327 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100012094781_100009892977 [0,1,0,1,0,0|0,0,2]=4 9328 B13R1.667 C#CCCCOCCC1CCC1=O 7a_100000215630_200016118888 [0,1,0,1,0,0|0,0,2]=4 9329 B13R1.667 C#CCCCSCCC1CCC1=O 62a_100011215417_200016118888 [0,1,0,1,0,0|0,0,2]=4 9330 B13R1.667 C#CCCCSCCC1CCC1=O 62a_200016118888_100011215417 [0,1,0,1,0,0|0,0,2]=4 9331 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [0,1,0,1,0,0|1,0,1]=4 9332 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [0,1,0,1,0,0|1,0,1]=4 9333 B13R1.667 C=CCCCCCOC1CCC1=O 34a_100011216702_100009892977 [0,1,0,1,0,0|0,0,0]=2 9334 B13R1.667 C=CCCCCCOC1CCC1=O 7a_100011216702_100009892977 [0,1,0,1,0,0|0,0,0]=2 9335 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100000700193_100009892977 [0,1,0,1,0,0|0,0,0]=2 9336 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100009892977_100000700193 [0,1,0,1,0,0|0,0,0]=2 9337 B13R1.667 C=CCCCNCCC1CCC1=O 2230a_100000700776_200016118888 [0,1,0,1,0,0|0,0,0]=2 9338 B13R1.667 C=CCCCOCCC1CCC1=O 7a_100000758997_200016118888 [0,1,0,1,0,0|0,0,0]=2 9339 B13R1.667 C=CCCCSCCC1CCC1=O 62a_100011713584_200016118888 [0,1,0,1,0,0|0,0,0]=2 9340 B13R1.667 C=CCCCSCCC1CCC1=O 62a_200016118888_100000757094 [0,1,0,1,0,0|0,0,0]=2 9341 B13R1.667 C=COCCCCOC1CCC1=O 34a_100000031558_100009892977 [0,1,0,1,0,0|1,0,0]=3 9342 B13R1.667 C=COCCCCOC1CCC1=O 7a_100000031558_100009892977 [0,1,0,1,0,0|1,0,0]=3 9343 B13R1.667 C=COCCSCCC1CCC1=O 62a_100000039644_200016118888 [0,1,0,1,0,0|1,0,0]=3 9344 B13R1.667 C=COCCSCCC1CCC1=O 62a_200016118888_100000039644 [0,1,0,1,0,0|1,0,0]=3 9345 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|0,0,2]=4 9346 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|0,0,2]=4 9347 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|0,0,2]=4 9348 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|0,0,2]=4 9349 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|0,0,2]=4 9350 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|0,0,2]=4 9351 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|0,0,2]=4 9352 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|0,0,2]=4 9353 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [0,1,0,1,0,0|1,0,1]=4 9354 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,1,0,1,0,0|1,0,1]=4 9355 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,1,0,1,0,0|1,0,1]=4 9356 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,1,0,1,0,0|1,0,1]=4 9357 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [0,1,0,1,0,0|1,0,1]=4 9358 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [0,1,0,1,0,0|1,0,1]=4 9359 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009813376_100009892977 [0,1,0,1,0,0|1,0,1]=4 9360 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009892977_100009813376 [0,1,0,1,0,0|1,0,1]=4 9361 B13R1.667 N#CCCCSCCC1CCC1=O 62a_100000687738_200016118888 [0,1,0,1,0,0|1,0,1]=4 9362 B13R1.667 N#CCCCSCCC1CCC1=O 62a_200016118888_100000687738 [0,1,0,1,0,0|1,0,1]=4 9363 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,1,0,1,0,0|1,0,1]=4 9364 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,1,0,1,0,0|1,0,1]=4 9365 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,1,0,1,0,0|1,0,1]=4 9366 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,1,0,1,0,0|1,0,1]=4 9367 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,1,0,1,0,0|1,0,1]=4 9368 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,1,0,1,0,0|1,0,1]=4 9369 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,1,0,1,0,0|1,0,1]=4 9370 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,1,0,1,0,0|1,0,1]=4 9371 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,1,0,1,0,0|1,0,1]=4 9372 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,1,0,1,0,0|1,0,1]=4 9373 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,1,0,1,0,0|1,0,1]=4 9374 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,1,0,1,0,0|1,0,1]=4 9375 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,1,0,1,0,0|1,0,1]=4 9376 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,1,0,1,0,0|1,0,1]=4 9377 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,1,0,1,0,0|1,0,1]=4 9378 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,1,0,1,0,0|1,0,1]=4 9379 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,1,0,1,0,0|1,0,1]=4 9380 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,1,0,1,0,0|1,0,1]=4 9381 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,1,0,1,0,0|1,0,1]=4 9382 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100000139337_100009892977 [0,1,0,1,0,0|1,0,0]=3 9383 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100009892977_100000139337 [0,1,0,1,0,0|1,0,0]=3 9384 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200011292268_200016118888 [0,1,0,1,0,0|1,0,0]=3 9385 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200016118888_200011292268 [0,1,0,1,0,0|1,0,0]=3 9386 B13R1.671 C=CCCCN1CCC[C@H]1COC 2230a_100020646714_100011713584 [0,1,0,1,0,0|2,0,0]=4 9387 B13R1.671 C=CCCCN1CCC[C@H]1COC 269982a_100020646714_100000757094 [0,1,0,1,0,0|2,0,0]=4 9388 B13R1.671 C=CCCCN1CCC[C@H]1COC 34a_100020646714_100000757094 [0,1,0,1,0,0|2,0,0]=4 9389 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [0,1,0,1,0,0|1,0,1]=4 9390 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [0,1,0,1,0,0|1,0,1]=4 9391 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [0,1,0,1,0,0|1,0,1]=4 9392 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [0,1,0,1,0,0|1,0,1]=4 9393 B13R1.1150 C#CCCOC1C=CCCCCC1 34a_100000688657_100000688953 [0,1,0,1,0,0|1,0,1]=4 9394 B13R1.1150 C/C=C/COC1C=CCCCCC1 34a_100000688657_100102629194 [0,1,0,1,0,0|1,0,1]=4 9395 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [0,1,0,1,0,0|1,0,1]=4 9396 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [0,1,0,1,0,0|1,0,1]=4 9397 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [0,1,0,1,0,0|1,0,1]=4 9398 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [0,1,0,1,0,0|1,0,1]=4 9399 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [0,1,0,1,0,0|1,0,1]=4 9400 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [0,1,0,1,0,0|1,0,1]=4 9401 B13R1.1150 C=CCCOC1C=CCCCCC1 34a_100000688657_100000754431 [0,1,0,1,0,0|1,0,0]=3 9402 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [0,1,0,1,0,0|1,0,1]=4 9403 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [0,1,0,1,0,0|1,0,1]=4 9404 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [0,1,0,1,0,0|1,0,1]=4 9405 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [0,1,0,1,0,0|1,0,1]=4 9406 B13R1.1150 CC=CCOC1C=CCCCCC1 34a_100000688657_100000070051 [0,1,0,1,0,0|1,0,1]=4 9407 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [0,1,0,1,0,0|1,0,1]=4 9408 B13R1.1150 COCCOC1C=CCCCCC1 34a_100000688657_100011201679 [0,1,0,1,0,0|2,0,0]=4 9409 B13R1.1150 CSCCOC1C=CCCCCC1 34a_100000688657_100000212216 [0,1,0,1,0,0|2,0,0]=4 9410 B13R1.1150 FCCCOC1C=CCCCCC1 34a_100000688657_100011934791 [0,1,0,1,0,0|1,0,1]=4 9411 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [0,1,0,1,0,0|0,0,2]=4 9412 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [0,1,0,1,0,0|0,0,2]=4 9413 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [0,1,0,1,0,0|0,0,2]=4 9414 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [0,1,0,1,0,0|0,0,2]=4 9415 B13R1.1150 OCCCOC1C=CCCCCC1 34a_100000688657_100000230001 [0,1,0,1,0,0|0,0,2]=4 9416 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [0,1,0,1,0,0|1,0,1]=4 9417 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [0,1,0,1,0,0|1,0,1]=4 9418 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [0,1,0,1,0,0|1,0,1]=4 9419 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [0,1,0,1,0,0|1,0,1]=4 9420 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [0,1,0,1,0,0|1,0,1]=4 9421 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [0,1,0,1,0,0|1,0,1]=4 9422 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [0,1,0,1,0,0|1,0,1]=4 9423 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [0,1,0,1,0,0|1,0,1]=4 9424 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [0,1,0,1,0,0|1,0,1]=4 9425 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [0,1,0,1,0,0|1,0,1]=4 9426 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [0,1,0,1,0,0|1,0,1]=4 9427 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [0,1,0,1,0,0|1,0,1]=4 9428 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [0,1,0,1,0,0|1,0,1]=4 9429 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [0,1,0,1,0,0|1,0,1]=4 9430 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [0,1,0,1,0,0|1,0,1]=4 9431 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [0,1,0,1,0,0|1,0,1]=4 9432 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [0,1,0,1,0,0|1,0,1]=4 9433 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [0,1,0,1,0,0|1,0,1]=4 9434 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [0,1,0,1,0,0|1,0,1]=4 9435 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [0,1,0,1,0,0|1,0,1]=4 9436 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [0,1,0,1,0,0|1,0,1]=4 9437 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [0,1,0,1,0,0|1,0,1]=4 9438 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [0,1,0,1,0,0|1,0,1]=4 9439 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [0,1,0,1,0,0|0,0,2]=4 9440 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [0,1,0,1,0,0|0,0,2]=4 9441 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [0,1,0,1,0,0|0,0,2]=4 9442 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [0,1,0,1,0,0|0,0,2]=4 9443 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [0,1,0,1,0,0|0,0,2]=4 9444 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [0,1,0,1,0,0|0,0,2]=4 9445 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [0,1,0,1,0,0|0,0,2]=4 9446 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [0,1,0,1,0,0|0,0,2]=4 9447 B13R1.24 C=CCCCC(=O)C1C=CCCC1 1458a_100000766728_100000751183 [0,1,0,1,0,0|1,0,1]=4 9448 B13R1.156 C=CCCCC(=O)CC1C=CCC1 1458a_100000212241_100000757094 [0,1,0,1,0,0|1,0,1]=4 9449 B13R1.156 C=CCCNC(C)CC1C=CCC1 270004a_100015191253_100000116859 [0,1,0,1,0,0|2,0,0]=4 9450 B13R1.725 C=CCCCC(=O)C1CCCC1=O 1458a_100000766728_100000211823 [0,1,0,1,0,0|0,0,1]=3 9451 B13R1.725 C=CCCCC(=O)C1CCOC1=O 1458a_100000766728_100000211211 [0,1,0,1,0,0|1,0,1]=4 9452 B13R1.725 C=CCSCC(=O)C1CCCC1=O 1458a_100000230395_100000211823 [0,1,0,1,0,0|1,0,1]=4 9453 B13R1.1148 C=CCCCN1CCCNC(=O)C1 2230a_100015190381_100011713584 [0,1,0,1,0,0|2,0,0]=4 9454 B13R1.2918 C=CCCCCC(=O)C1CCC1=O 1458a_100011215552_100009892977 [0,1,0,1,0,0|0,0,1]=3 9455 B13R1.2918 C=CCCCCN(C)C1CCC1=O 269982a_100012000471_100009892977 [0,1,0,1,0,0|1,0,0]=3 9456 B13R1.2918 C=CCOCCC(=O)C1CCC1=O 1458a_200011217002_100009892977 [0,1,0,1,0,0|1,0,1]=4 9457 B13R1.8919 C=CCCNC1C(=O)CCCC1=O 2230a_100015191253_100009814513 [0,1,0,1,0,0|1,0,1]=4 9458 B13R1.8919 C=CCCSC1C(=O)CCCC1=O 62a_100000754431_100009814513 [0,1,0,1,0,0|1,0,1]=4 9459 B13R1.8919 C=CCCSC1C(=O)CCCC1=O 62a_100009814513_100000754431 [0,1,0,1,0,0|1,0,1]=4 9460 B13R1.27 C=CCCCCCN1CNC(=O)C1 2230a_200000708111_100000700193 [0,1,0,1,0,0|2,0,0]=4 9461 B13R1.27 C=CCCCCNC1CNC(=O)C1 2230a_100000697751_100011215482 [0,1,0,1,0,0|2,0,0]=4 9462 B13R1.27 C=CCCCCNC1COC(=O)O1 34a_100000703577_100000032252 [0,1,0,1,0,0|2,0,0]=4 9463 B13R1.27 C=CCCCCOC1CCC(=O)C1 34a_100012614533_100011215482 [0,1,0,1,0,0|1,0,0]=3 9464 B13R1.27 C=CCCCCOC1CNC(=O)C1 34a_100000690082_100011215482 [0,1,0,1,0,0|2,0,0]=4 9465 B13R1.27 C=CCCCCOC1COC(=O)O1 34a_100000766645_100000032252 [0,1,0,1,0,0|2,0,0]=4 9466 B13R1.27 C=CCCCCSC1COC(=O)O1 62a_100011215482_100000032252 [0,1,0,1,0,0|2,0,0]=4 9467 B13R1.27 C=CCCCNCC1CNC(=O)C1 2230a_100016993742_100011713584 [0,1,0,1,0,0|2,0,0]=4 9468 B13R1.27 C=CCCCNCC1CNC(=O)C1 34a_100016993742_100000757094 [0,1,0,1,0,0|2,0,0]=4 9469 B13R1.27 C=CCCCNCC1CNC(=O)O1 2230a_100000700776_100000181169 [0,1,0,1,0,0|2,0,0]=4 9470 B13R1.27 C=CCCCNCC1CNC(=O)O1 34a_100000700776_100000181169 [0,1,0,1,0,0|2,0,0]=4 9471 B13R1.27 C=CCCCNCC1COC(=O)O1 34a_100000700776_100000073702 [0,1,0,1,0,0|2,0,0]=4 9472 B13R1.27 C=CCCCNC[C@@H]1CCC(=O)N1 2230a_100000700776_100015189358 [0,1,0,1,0,0|1,0,0]=3 9473 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011713584 [0,1,0,1,0,0|1,0,0]=3 9474 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757094 [0,1,0,1,0,0|1,0,0]=3 9475 B13R1.27 C=CCCCNC[C@H]1COC(=O)N1 2230a_100000700776_100015307671 [0,1,0,1,0,0|2,0,0]=4 9476 B13R1.27 C=CCCCNC[C@H]1COC(=O)N1 34a_100000700776_100015307671 [0,1,0,1,0,0|2,0,0]=4 9477 B13R1.27 C=CCCCOCC1CCC(=O)N1 34a_100000737831_100000757094 [0,1,0,1,0,0|1,0,0]=3 9478 B13R1.27 C=CCCCOCC1CNC(=O)C1 34a_100016041077_100000757094 [0,1,0,1,0,0|2,0,0]=4 9479 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100000758997_100000181169 [0,1,0,1,0,0|2,0,0]=4 9480 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100011315639_100000757094 [0,1,0,1,0,0|2,0,0]=4 9481 B13R1.27 C=CCCCOCC1CNC(=O)O1 7a_100000758997_100000181169 [0,1,0,1,0,0|2,0,0]=4 9482 B13R1.27 C=CCCCOCC1COC(=O)O1 34a_100000758997_100000073702 [0,1,0,1,0,0|2,0,0]=4 9483 B13R1.27 C=CCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000757094 [0,1,0,1,0,0|2,0,0]=4 9484 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)N1 7a_100000758997_100015189358 [0,1,0,1,0,0|1,0,0]=3 9485 B13R1.27 C=CCCCOC[C@H]1COC(=O)N1 34a_100000758997_100015307671 [0,1,0,1,0,0|2,0,0]=4 9486 B13R1.27 C=CCCCOC[C@H]1COC(=O)N1 7a_100000758997_100015307671 [0,1,0,1,0,0|2,0,0]=4 9487 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100000181169_100000757094 [0,1,0,1,0,0|2,0,0]=4 9488 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100011713584_100000181169 [0,1,0,1,0,0|2,0,0]=4 9489 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100000073702_100000757094 [0,1,0,1,0,0|2,0,0]=4 9490 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100011713584_100000073702 [0,1,0,1,0,0|2,0,0]=4 9491 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100011713584_100015189358 [0,1,0,1,0,0|1,0,0]=3 9492 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757094 [0,1,0,1,0,0|1,0,0]=3 9493 B13R1.27 C=CCCCSC[C@H]1COC(=O)N1 62a_100011713584_100015307671 [0,1,0,1,0,0|2,0,0]=4 9494 B13R1.27 C=CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000757094 [0,1,0,1,0,0|2,0,0]=4 9495 B13R1.27 C=COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000039644 [0,1,0,1,0,0|2,0,0]=4 9496 B13R1.27 C=COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000039644 [0,1,0,1,0,0|2,0,0]=4 9497 B13R1.27 C=COCCOCC1CCC(=O)N1 34a_100000737831_100000039644 [0,1,0,1,0,0|2,0,0]=4 9498 B13R1.27 C=COCCSC[C@@H]1CCC(=O)N1 62a_100000039644_100015189358 [0,1,0,1,0,0|2,0,0]=4 9499 B13R1.27 C=COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000039644 [0,1,0,1,0,0|2,0,0]=4 9500 B13R1.27 O=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200011292268 [0,1,0,1,0,0|2,0,0]=4 9501 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200011292268 [0,1,0,1,0,0|2,0,0]=4 9502 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_200011292268_100015189358 [0,1,0,1,0,0|2,0,0]=4 9503 B13R1.44 C=CCCC(C)OC1C=CCCC1 7a_100000765329_100000751183 [0,1,0,1,0,0|2,0,0]=4 9504 B13R1.674 C=CCCC(=O)C1CCCCC1=O 1458a_100000749702_100000204591 [0,1,0,1,0,0|0,0,1]=3 9505 B13R1.674 C=CCCC(=O)C1CCCNC1=O 1458a_100000087122_100000754431 [0,1,0,1,0,0|1,0,1]=4 9506 B13R1.674 C=CCCC(=O)C1CCCNC1=O 1458a_100000749702_100000687798 [0,1,0,1,0,0|1,0,1]=4 9507 B13R1.674 C=CCCC(=O)C1COCCC1=O 1458a_100000749702_100012180262 [0,1,0,1,0,0|1,0,1]=4 9508 B13R1.674 C=CCCN(C)C1CCCCC1=O 269982a_100020639649_100000204591 [0,1,0,1,0,0|1,0,0]=3 9509 B13R1.674 C=CCCN(C)C1CCCNC1=O 2230a_100020639649_100000687798 [0,1,0,1,0,0|2,0,0]=4 9510 B13R1.674 C=CCCN(C)C1CCCNC1=O 269982a_100020639649_100000687798 [0,1,0,1,0,0|2,0,0]=4 9511 B13R1.677 C=CCCC(=O)CCC1CCC1=O 1458a_100000749702_200016118888 [0,1,0,1,0,0|0,0,1]=3 9512 B13R1.677 C=CCCN(C)CCC1CCC1=O 2230a_100020639649_200016118888 [0,1,0,1,0,0|1,0,0]=3 9513 B13R1.677 C=CCCN(C)CCC1CCC1=O 269982a_100020639649_200016118888 [0,1,0,1,0,0|1,0,0]=3 9514 B13R1.686 C=CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000754431 [0,1,0,1,0,0|1,0,1]=4 9515 B13R1.686 C=CCCC(C)NC1CCNC1=O 270004a_100016995588_100000762624 [0,1,0,1,0,0|2,0,0]=4 9516 B13R1.686 C=CCCC(C)OC1CCCC1=O 34a_100000765329_100000709159 [0,1,0,1,0,0|1,0,0]=3 9517 B13R1.686 C=CCCC(C)OC1CCCC1=O 7a_100000765329_100000211823 [0,1,0,1,0,0|1,0,0]=3 9518 B13R1.686 C=CCCC(C)OC1CCOC1=O 34a_100000765329_100000211211 [0,1,0,1,0,0|2,0,0]=4 9519 B13R1.686 C=CCCC(C)OC1CCOC1=O 7a_100000765329_100000211211 [0,1,0,1,0,0|2,0,0]=4 9520 B13R1.686 C=CCCN(C)CN1CCCC1=O 269982a_100020639649_100000026320 [0,1,0,1,0,0|2,0,0]=4 9521 B13R1.1133 C=CCCCNC1C(=O)CCC1=O 2230a_100000700776_100009820769 [0,1,0,1,0,0|1,0,1]=4 9522 B13R1.1133 C=CCCCOC1C(=O)CCC1=O 7a_100000758997_100009820769 [0,1,0,1,0,0|1,0,1]=4 9523 B13R1.1133 C=CCCCSC1C(=O)CCC1=O 62a_100009820769_100000757094 [0,1,0,1,0,0|1,0,1]=4 9524 B13R1.1133 C=CCCCSC1C(=O)CCC1=O 62a_100011713584_100009820769 [0,1,0,1,0,0|1,0,1]=4 9525 B13R1.158 C=C(Br)CCOC1CCCCC1=O 34a_100009813270_100000754470 [0,1,0,1,0,0|1,0,0]=3 9526 B13R1.158 C=C(Br)CCOC1CCCNC1=O 34a_100009813270_100000687798 [0,1,0,1,0,0|2,0,0]=4 9527 B13R1.158 C=C(Br)CCOC1COCCC1=O 34a_100009813270_100012180262 [0,1,0,1,0,0|2,0,0]=4 9528 B13R1.158 C=C(C)CCNC1CCCNC1=O 2230a_100000747585_100000730704 [0,1,0,1,0,0|2,0,0]=4 9529 B13R1.158 C=C(C)CCNC1CCCNC1=O 34a_100000747585_100000730704 [0,1,0,1,0,0|2,0,0]=4 9530 B13R1.158 C=C(C)CCOC1CCCCC1=O 34a_100000764851_100000754470 [0,1,0,1,0,0|1,0,0]=3 9531 B13R1.158 C=C(C)CCOC1CCCCC1=O 34a_100011214950_100000730704 [0,1,0,1,0,0|1,0,0]=3 9532 B13R1.158 C=C(C)CCOC1CCCNC1=O 34a_100000073722_100000730704 [0,1,0,1,0,0|2,0,0]=4 9533 B13R1.158 C=C(C)CCOC1CCCNC1=O 34a_100000764851_100000687798 [0,1,0,1,0,0|2,0,0]=4 9534 B13R1.158 C=C(C)CCOC1COCCC1=O 34a_100000764851_100012180262 [0,1,0,1,0,0|2,0,0]=4 9535 B13R1.158 C=C(C)CCSC1CCCCC1=O 62a_100000204591_100000730704 [0,1,0,1,0,0|1,0,0]=3 9536 B13R1.158 C=C(C)CCSC1CCCCC1=O 62a_100000730704_100000204591 [0,1,0,1,0,0|1,0,0]=3 9537 B13R1.158 C=C(C)CCSC1CCCNC1=O 62a_100000687798_100000730704 [0,1,0,1,0,0|2,0,0]=4 9538 B13R1.158 C=C(C)CCSC1CCCNC1=O 62a_100000730704_100000687798 [0,1,0,1,0,0|2,0,0]=4 9539 B13R1.158 C=C(C)CCSC1COCCC1=O 62a_100000730704_100012180262 [0,1,0,1,0,0|2,0,0]=4 9540 B13R1.158 C=C(C)CCSC1COCCC1=O 62a_100012180262_100000730704 [0,1,0,1,0,0|2,0,0]=4 9541 B13R1.158 C=C(C)COCC1CCCCC1=O 34a_100009861125_100000748629 [0,1,0,1,0,0|1,0,0]=3 9542 B13R1.158 C=C(C)COCC1CCCCC1=O 7a_100009861125_100000748629 [0,1,0,1,0,0|1,0,0]=3 9543 B13R1.158 C=C(F)COCC1CCCCC1=O 34a_100009861125_100009893438 [0,1,0,1,0,0|1,0,0]=3 9544 B13R1.158 C=C(F)COCC1CCCCC1=O 7a_100009861125_100000042424 [0,1,0,1,0,0|1,0,0]=3 9545 B13R1.158 CC(=O)CCCN1CCCCC1=O 1458a_100011236284_200000210301 [0,1,0,1,0,0|1,0,1]=4 9546 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [0,1,0,1,0,0|1,0,1]=4 9547 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [0,1,0,1,0,0|1,0,1]=4 9548 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [0,1,0,1,0,0|1,0,1]=4 9549 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [0,1,0,1,0,0|1,0,1]=4 9550 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100000757172_100000754470 [0,1,0,1,0,0|2,0,0]=4 9551 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100011214950_100000731001 [0,1,0,1,0,0|2,0,0]=4 9552 B13R1.158 NC(=O)CCOC1CCCCC1=O 7a_100000757172_100000204591 [0,1,0,1,0,0|2,0,0]=4 9553 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000204591_100000744528 [0,1,0,1,0,0|2,0,0]=4 9554 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000744528_100000204591 [0,1,0,1,0,0|2,0,0]=4 9555 B13R1.158 NC(=O)COCC1CCCCC1=O 34a_100009861125_100000187820 [0,1,0,1,0,0|2,0,0]=4 9556 B13R1.158 NC(=O)COCC1CCCCC1=O 7a_100009861125_100000187820 [0,1,0,1,0,0|2,0,0]=4 9557 B13R1.158 O=C([O-])COCC1CCCCC1=O 34a_100009861125_100020667443 [0,1,0,1,0,0|2,0,0]=4 9558 B13R1.158 [13CH3]C(=O)CCCN1CCCCC1=O 1458a_100011236284_200025704644 [0,1,0,1,0,0|1,0,1]=4 9559 B13R1.167 C=C(C)CCOCC1CCNC1=O 34a_100000133458_100000730704 [0,1,0,1,0,0|2,0,0]=4 9560 B13R1.167 C=C(C)CCSCN1CCCC1=O 62a_100000026320_100000730704 [0,1,0,1,0,0|2,0,0]=4 9561 B13R1.167 C=C(C)CCSCN1CCCC1=O 62a_100000730704_100000026320 [0,1,0,1,0,0|2,0,0]=4 9562 B13R1.167 C=C(C)CNCCN1CCCC1=O 2230a_100011200922_100000748629 [0,1,0,1,0,0|2,0,0]=4 9563 B13R1.167 C=C(C)COCCN1CCCC1=O 34a_100000210245_100000739059 [0,1,0,1,0,0|2,0,0]=4 9564 B13R1.167 C=C(C)COCCN1CCCC1=O 34a_100000211209_100000748629 [0,1,0,1,0,0|2,0,0]=4 9565 B13R1.167 C=C(C)COCCN1CCCC1=O 7a_100000211209_100000748629 [0,1,0,1,0,0|2,0,0]=4 9566 B13R1.167 C=C(C)CSCCN1CCCC1=O 62a_100000739059_100000211660 [0,1,0,1,0,0|2,0,0]=4 9567 B13R1.167 C=C(C)CSCCN1CCCC1=O 62a_100000748629_100000739059 [0,1,0,1,0,0|2,0,0]=4 9568 B13R1.167 C=C(F)CNCCN1CCCC1=O 2230a_100011200922_100009893438 [0,1,0,1,0,0|2,0,0]=4 9569 B13R1.167 C=C(F)COCCN1CCCC1=O 34a_100000211209_100009893438 [0,1,0,1,0,0|2,0,0]=4 9570 B13R1.167 C=C(F)COCCN1CCCC1=O 34a_200010262243_100000739059 [0,1,0,1,0,0|2,0,0]=4 9571 B13R1.167 C=C(F)COCCN1CCCC1=O 7a_100000211209_100000042424 [0,1,0,1,0,0|2,0,0]=4 9572 B13R1.167 C=C(F)CSCCN1CCCC1=O 62a_100000042424_100000739059 [0,1,0,1,0,0|2,0,0]=4 9573 B13R1.167 C=C(F)CSCCN1CCCC1=O 62a_100000739059_100000042424 [0,1,0,1,0,0|2,0,0]=4 9574 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [0,1,0,1,0,0|1,0,1]=4 9575 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [0,1,0,1,0,0|1,0,1]=4 9576 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [0,1,0,1,0,0|1,0,1]=4 9577 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [0,1,0,1,0,0|1,0,1]=4 9578 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [0,1,0,1,0,0|1,0,1]=4 9579 B13R1.167 NC(=O)CCCNC1CCCC1=O 34a_100000739312_100000709159 [0,1,0,1,0,0|2,0,0]=4 9580 B13R1.167 NC(=O)CCCOC1CCCC1=O 34a_200000719330_100102525003 [0,1,0,1,0,0|2,0,0]=4 9581 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100000211823_100102525003 [0,1,0,1,0,0|2,0,0]=4 9582 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100102525003_100000211823 [0,1,0,1,0,0|2,0,0]=4 9583 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [0,1,0,1,0,0|1,0,0]=3 9584 B13R1.224 O=CCN1CCCCCC1C(=O)O 269956a_100000758484_200015260668 [0,1,0,1,0,0|2,0,0]=4 9585 B13R1.280 C=C(C)CNC1CCCCNC1=O 2230a_100000698827_100000748629 [0,1,0,1,0,0|2,0,0]=4 9586 B13R1.280 C=C(C)CNC1CCCCNC1=O 34a_100000698827_100000748629 [0,1,0,1,0,0|2,0,0]=4 9587 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000243696_100000211660 [0,1,0,1,0,0|1,0,0]=3 9588 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000748629_100000243696 [0,1,0,1,0,0|1,0,0]=3 9589 B13R1.280 C=C(C)CSC1CCCCNC1=O 62a_100000735217_100000211660 [0,1,0,1,0,0|2,0,0]=4 9590 B13R1.280 C=C(C)CSC1CCCCNC1=O 62a_100000748629_100000735217 [0,1,0,1,0,0|2,0,0]=4 9591 B13R1.280 C=C(F)CNC1CCCCNC1=O 2230a_100000698827_100009893438 [0,1,0,1,0,0|2,0,0]=4 9592 B13R1.280 C=C(F)CNC1CCCCNC1=O 34a_100000698827_100009893438 [0,1,0,1,0,0|2,0,0]=4 9593 B13R1.280 C=C(F)CSC1CCCCCC1=O 62a_100000042424_100000243696 [0,1,0,1,0,0|1,0,0]=3 9594 B13R1.280 C=C(F)CSC1CCCCCC1=O 62a_100000243696_100000042424 [0,1,0,1,0,0|1,0,0]=3 9595 B13R1.280 C=C(F)CSC1CCCCNC1=O 62a_100000042424_100000735217 [0,1,0,1,0,0|2,0,0]=4 9596 B13R1.280 C=C(F)CSC1CCCCNC1=O 62a_100000735217_100000042424 [0,1,0,1,0,0|2,0,0]=4 9597 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,1,0,1,0,0|1,0,1]=4 9598 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747473 [0,1,0,1,0,0|2,0,0]=4 9599 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000747473_100000243696 [0,1,0,1,0,0|2,0,0]=4 9600 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,1,0,1,0,0|2,0,0]=4 9601 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100000243696_100020667443 [0,1,0,1,0,0|2,0,0]=4 9602 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100020667443_100000243696 [0,1,0,1,0,0|2,0,0]=4 9603 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,1,0,1,0,0|1,0,1]=4 9604 B13R1.297 C=C(C)CCSCCC1CCC1=O 62a_100000730704_200016118888 [0,1,0,1,0,0|1,0,0]=3 9605 B13R1.297 C=C(C)CCSCCC1CCC1=O 62a_200016118888_100000730704 [0,1,0,1,0,0|1,0,0]=3 9606 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [0,1,0,1,0,0|1,0,1]=4 9607 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [0,1,0,1,0,0|1,0,1]=4 9608 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [0,1,0,1,0,0|1,0,1]=4 9609 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [0,1,0,1,0,0|1,0,1]=4 9610 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [0,1,0,1,0,0|1,0,1]=4 9611 B13R1.297 NC(=O)CCCCNC1CCC1=O 34a_100000696515_100009892977 [0,1,0,1,0,0|2,0,0]=4 9612 B13R1.297 NC(=O)CCCCOC1CCC1=O 34a_100012022536_100009892977 [0,1,0,1,0,0|2,0,0]=4 9613 B13R1.297 NC(=O)CCCCOC1CCC1=O 7a_100012022536_100009892977 [0,1,0,1,0,0|2,0,0]=4 9614 B13R1.297 NC(=O)CCOCCC1CCC1=O 7a_100000757172_200016118888 [0,1,0,1,0,0|2,0,0]=4 9615 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_100000744528_200016118888 [0,1,0,1,0,0|2,0,0]=4 9616 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_200016118888_100000744528 [0,1,0,1,0,0|2,0,0]=4 9617 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,1,0,1,0,0|0,0,2]=4 9618 B13R1.337 CC(=O)CCCOC1C=CCCC1 34a_100011215024_100000685027 [0,1,0,1,0,0|1,0,0]=3 9619 B13R1.337 CC(=O)CCCOC1C=CCCC1 7a_100000759063_100000751183 [0,1,0,1,0,0|1,0,0]=3 9620 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100000751183_100011215641 [0,1,0,1,0,0|1,0,0]=3 9621 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100011215641_100000751183 [0,1,0,1,0,0|1,0,0]=3 9622 B13R1.337 CC(=O)NCCNC1C=CCCC1 2230a_100000209853_100000751183 [0,1,0,1,0,0|2,0,0]=4 9623 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000189650_100000751183 [0,1,0,1,0,0|2,0,0]=4 9624 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000751183_100000189650 [0,1,0,1,0,0|2,0,0]=4 9625 B13R1.337 CC(=O)OCCOC1C=CCCC1 34a_100011215024_100009814007 [0,1,0,1,0,0|2,0,0]=4 9626 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100000751183_100009814007 [0,1,0,1,0,0|2,0,0]=4 9627 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100009814007_100000751183 [0,1,0,1,0,0|2,0,0]=4 9628 B13R1.337 CS(=O)CCCNC1C=CCCC1 2230a_200000753449_100000751183 [0,1,0,1,0,0|2,0,0]=4 9629 B13R1.337 NC(=O)CCCOC1C=CCCC1 34a_100011215024_100102525003 [0,1,0,1,0,0|1,0,0]=3 9630 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100000751183_100102525003 [0,1,0,1,0,0|1,0,0]=3 9631 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100102525003_100000751183 [0,1,0,1,0,0|1,0,0]=3 9632 B13R1.337 NC(=O)NCCSC1C=CCCC1 62a_100000751183_200000034859 [0,1,0,1,0,0|2,0,0]=4 9633 B13R1.337 NC(=O)NCCSC1C=CCCC1 62a_200000034859_100000751183 [0,1,0,1,0,0|2,0,0]=4 9634 B13R1.337 NC(=O)OCCOC1C=CCCC1 34a_100011215024_200011214921 [0,1,0,1,0,0|2,0,0]=4 9635 B13R1.337 NC(=O)OCCOC1C=CCCC1 7a_100000766696_100000751183 [0,1,0,1,0,0|2,0,0]=4 9636 B13R1.337 NC(=O)OCCSC1C=CCCC1 62a_100000751183_200011214921 [0,1,0,1,0,0|2,0,0]=4 9637 B13R1.337 NC(=O)OCCSC1C=CCCC1 62a_200011214921_100000751183 [0,1,0,1,0,0|2,0,0]=4 9638 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,1,0,1,0,0|0,0,2]=4 9639 B13R1.380 C=CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210623 [0,1,0,1,0,0|1,0,0]=3 9640 B13R1.380 C=CCN1CCCCC1CC(=O)N 269982a_100015184752_100000210623 [0,1,0,1,0,0|1,0,0]=3 9641 B13R1.380 C=CCN1CCCCC1CC(=O)N 34a_100015184752_100015514636 [0,1,0,1,0,0|1,0,0]=3 9642 B13R1.380 NC(=O)CC1CCCCN1CC=O 2230a_100015184752_200015260668 [0,1,0,1,0,0|2,0,0]=4 9643 B13R1.380 NC(=O)CC1CCCCN1CC=O 269982a_100015184752_200015260668 [0,1,0,1,0,0|2,0,0]=4 9644 B13R1.380 NC(=O)CC1CCCCN1CC=O 34a_100015184752_200009817547 [0,1,0,1,0,0|2,0,0]=4 9645 B13R1.572 C=CCCN1CCCCC1C(=O)N 2230a_100000181395_100000754431 [0,1,0,1,0,0|1,0,0]=3 9646 B13R1.572 C=CCCN1CCCCC1C(=O)N 269982a_100000181395_100000754431 [0,1,0,1,0,0|1,0,0]=3 9647 B13R1.572 C=CCCN1CCCCC1C(=O)N 34a_100000181395_100000754431 [0,1,0,1,0,0|1,0,0]=3 9648 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [0,1,0,1,0,0|1,0,0]=3 9649 B13R1.572 C=CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000754431 [0,1,0,1,0,0|2,0,0]=4 9650 B13R1.572 C=CCCN1CCSCC1C(=O)O 269956a_100011346106_100000754431 [0,1,0,1,0,0|2,0,0]=4 9651 B13R1.572 C=CCCN1CSCCC1C(=O)O 269956a_100015185162_100000754431 [0,1,0,1,0,0|2,0,0]=4 9652 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [0,1,0,1,0,0|1,0,0]=3 9653 B13R1.572 O=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200015260668 [0,1,0,1,0,0|2,0,0]=4 9654 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|1,0,1]=4 9655 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|1,0,1]=4 9656 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011713584 [0,1,0,1,0,0|1,0,0]=3 9657 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [0,1,0,1,0,0|1,0,0]=3 9658 B13R1.670 C=CCCCN1CCSC1C(=O)O 269956a_100000035718_100011713584 [0,1,0,1,0,0|2,0,0]=4 9659 B13R1.670 C=CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011713584 [0,1,0,1,0,0|2,0,0]=4 9660 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100015514636 [0,1,0,1,0,0|2,0,0]=4 9661 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100015514636 [0,1,0,1,0,0|2,0,0]=4 9662 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100015514636 [0,1,0,1,0,0|2,0,0]=4 9663 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100015514636 [0,1,0,1,0,0|2,0,0]=4 9664 B13R1.670 C=COCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000039644 [0,1,0,1,0,0|2,0,0]=4 9665 B13R1.670 C=COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000039644 [0,1,0,1,0,0|2,0,0]=4 9666 B13R1.670 NC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000003125_200011292268 [0,1,0,1,0,0|2,0,0]=4 9667 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200011292268 [0,1,0,1,0,0|2,0,0]=4 9668 B13R1.1022 C=C(C)COC1C=CCCCCC1 34a_100000688657_100000748629 [0,1,0,1,0,0|2,0,0]=4 9669 B13R1.1022 C=C(F)COC1C=CCCCCC1 34a_100000688657_100009893438 [0,1,0,1,0,0|2,0,0]=4 9670 B13R1.1022 NC(=O)COC1C=CCCCCC1 34a_100000688657_100000187820 [0,1,0,1,0,0|1,0,0]=3 9671 B13R1.1022 O=C([O-])COC1C=CCCCCC1 34a_100000688657_100020667443 [0,1,0,1,0,0|1,0,0]=3 9672 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 34a_100000688657_100000761209 [0,1,0,1,0,0|2,0,0]=4 9673 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [0,1,0,1,0,0|1,0,0]=3 9674 B13R1.3435 O=CCCCCN1CCC1C(=O)O 269956a_100000021838_100000139335 [0,1,0,1,0,0|2,0,0]=4 9675 B13R1.527 C=CC(C)SC1CCCCCC1=O 62a_100011215867_100000243696 [0,1,0,1,0,0|1,0,0]=3 9676 B13R1.527 C=CC(C)SC1CCCCNC1=O 62a_100011215867_100000735217 [0,1,0,1,0,0|2,0,0]=4 9677 B13R1.528 C=CC(C)COC1CCCCC1=O 34a_100011215527_100000754470 [0,1,0,1,0,0|1,0,0]=3 9678 B13R1.528 C=CC(C)COC1CCCCC1=O 7a_100011215527_100000204591 [0,1,0,1,0,0|1,0,0]=3 9679 B13R1.528 C=CC(C)COC1CCCNC1=O 34a_100011215527_100000687798 [0,1,0,1,0,0|2,0,0]=4 9680 B13R1.528 C=CC(C)COC1CCCNC1=O 7a_100011215527_100000687798 [0,1,0,1,0,0|2,0,0]=4 9681 B13R1.528 C=CC(C)COC1COCCC1=O 34a_100011215527_100012180262 [0,1,0,1,0,0|2,0,0]=4 9682 B13R1.528 C=CC(C)COC1COCCC1=O 7a_100011215527_100012180262 [0,1,0,1,0,0|2,0,0]=4 9683 B13R1.528 C=CC(O)CNC1CCCNC1=O 2230a_100000747585_100000730141 [0,1,0,1,0,0|2,0,0]=4 9684 B13R1.528 C=CC(O)CNC1CCCNC1=O 34a_100000747585_100000730141 [0,1,0,1,0,0|2,0,0]=4 9685 B13R1.528 C=CC(O)COC1CCCCC1=O 34a_100011214950_100000730141 [0,1,0,1,0,0|1,0,0]=3 9686 B13R1.528 C=CC(O)COC1CCCNC1=O 34a_100000073722_100000730141 [0,1,0,1,0,0|2,0,0]=4 9687 B13R1.528 C=CC(O)CSC1CCCCC1=O 62a_100000204591_100000730141 [0,1,0,1,0,0|1,0,0]=3 9688 B13R1.528 C=CC(O)CSC1CCCCC1=O 62a_100000730141_100000204591 [0,1,0,1,0,0|1,0,0]=3 9689 B13R1.528 C=CC(O)CSC1CCCNC1=O 62a_100000687798_100000730141 [0,1,0,1,0,0|2,0,0]=4 9690 B13R1.528 C=CC(O)CSC1CCCNC1=O 62a_100000730141_100000687798 [0,1,0,1,0,0|2,0,0]=4 9691 B13R1.528 C=CC(O)CSC1COCCC1=O 62a_100000730141_100012180262 [0,1,0,1,0,0|2,0,0]=4 9692 B13R1.528 C=CC(O)CSC1COCCC1=O 62a_100012180262_100000730141 [0,1,0,1,0,0|2,0,0]=4 9693 B13R1.528 C=C[C@H](N)COC1CCCCC1=O 34a_100016989147_100000754470 [0,1,0,1,0,0|1,0,0]=3 9694 B13R1.528 C=C[C@H](N)COC1CCCNC1=O 34a_100016989147_100000687798 [0,1,0,1,0,0|2,0,0]=4 9695 B13R1.528 C=C[C@H](N)COC1COCCC1=O 34a_100016989147_100012180262 [0,1,0,1,0,0|2,0,0]=4 9696 B13R1.595 C=CC(C)COCCC1CCC1=O 7a_100011215527_200016118888 [0,1,0,1,0,0|1,0,0]=3 9697 B13R1.595 C=CC(O)CSCCC1CCC1=O 62a_100000730141_200016118888 [0,1,0,1,0,0|1,0,0]=3 9698 B13R1.595 C=CC(O)CSCCC1CCC1=O 62a_200016118888_100000730141 [0,1,0,1,0,0|1,0,0]=3 9699 B13R1.599 C=CC(C)OCCN1CCCC1=O 34a_100000695699_100000739059 [0,1,0,1,0,0|2,0,0]=4 9700 B13R1.599 C=CC(C)SCCN1CCCC1=O 62a_100011215867_100000739059 [0,1,0,1,0,0|2,0,0]=4 9701 B13R1.599 C=CC(O)COCC1CCNC1=O 34a_100000133458_100000730141 [0,1,0,1,0,0|2,0,0]=4 9702 B13R1.599 C=CC(O)CSCN1CCCC1=O 62a_100000026320_100000730141 [0,1,0,1,0,0|2,0,0]=4 9703 B13R1.599 C=CC(O)CSCN1CCCC1=O 62a_100000730141_100000026320 [0,1,0,1,0,0|2,0,0]=4 9704 B13R1.1917 C=CCNC1CCCCN(C1=O)C 2230a_100159325733_100000210623 [0,1,0,1,0,0|2,0,0]=4 9705 B13R1.1917 C=CCNC1CCCCN(C1=O)C 34a_100159325733_100015514636 [0,1,0,1,0,0|2,0,0]=4 9706 B13R1.3440 C=CCCCNC1CCN(C1=O)C 2230a_100000700776_100000755940 [0,1,0,1,0,0|2,0,0]=4 9707 B13R1.3440 C=CCCCNC1CCN(C1=O)C 34a_100000700776_100000755940 [0,1,0,1,0,0|2,0,0]=4 9708 B13R1.3440 C=CCCCOC1CCN(C1=O)C 34a_100000758997_100000755940 [0,1,0,1,0,0|2,0,0]=4 9709 B13R1.3440 C=CCCCOC1CCN(C1=O)C 7a_100000758997_100000755940 [0,1,0,1,0,0|2,0,0]=4 9710 B13R1.3440 C=CCCCSC1CCN(C1=O)C 62a_100000755940_100000757094 [0,1,0,1,0,0|2,0,0]=4 9711 B13R1.3440 C=CCCCSC1CCN(C1=O)C 62a_100011713584_100000755940 [0,1,0,1,0,0|2,0,0]=4 9712 B13R1.3440 C=CCCOCC1CCN(C1=O)C 34a_100009823153_100000754431 [0,1,0,1,0,0|2,0,0]=4 9713 B13R2.27 O=C1CCC1OC2C=CCCC2 34a_100011215024_100009892977 [0,0,0,2,0,0|1,0,0]=3 9714 B13R2.27 O=C1CCC1SC2C=CCCC2 62a_100000751183_100009892977 [0,0,0,2,0,0|1,0,0]=3 9715 B13R2.27 O=C1CCC1SC2C=CCCC2 62a_100009892977_100000751183 [0,0,0,2,0,0|1,0,0]=3 9716 B13R2.2520 C=CCCCN1CC2C=CC1C2 2230a_100000732668_100011713584 [0,0,0,2,0,0|2,0,0]=4 9717 B13R2.2520 C=CCCCN1CC2C=CC1C2 269982a_100000732668_100000757094 [0,0,0,2,0,0|2,0,0]=4 9718 B13R2.2520 C=CCCCN1CC2C=CC1C2 34a_100000732668_100000757094 [0,0,0,2,0,0|2,0,0]=4 9719 B13R2.2520 C=CCCOC1CC2C=CC1C2 34a_100000043678_100000754431 [0,0,0,2,0,0|2,0,0]=4 9720 B13R2.2520 C=CCNCC1CC2C=CC1C2 2230a_100000189500_100000210623 [0,0,0,2,0,0|2,0,0]=4 9721 B13R2.2520 C=CCNCC1CC2C=CC1C2 2230a_100020586998_200009814271 [0,0,0,2,0,0|2,0,0]=4 9722 B13R2.2520 C=CCNCC1CC2C=CC1C2 34a_100000189500_100015514636 [0,0,0,2,0,0|2,0,0]=4 9723 B13R2.2520 C=CCOCC1CC2C=CC1C2 34a_100011215361_100015514636 [0,0,0,2,0,0|2,0,0]=4 9724 B13R2.2520 C=CCOCC1CC2C=CC1C2 34a_200000210373_200009814271 [0,0,0,2,0,0|2,0,0]=4 9725 B13R2.2520 C=CCSCC1CC2C=CC1C2 62a_100000139495_100000210623 [0,0,0,2,0,0|2,0,0]=4 9726 B13R2.2520 C=CCSCC1CC2C=CC1C2 62a_100000210623_100000139495 [0,0,0,2,0,0|2,0,0]=4 9727 B13R2.2520 O=CCCCN1CC2C=CC1C2 2230a_100000732668_200011292268 [0,0,0,2,0,0|1,0,0]=3 9728 B13R2.2520 O=CCCCN1CC2C=CC1C2 269982a_100000732668_200011292268 [0,0,0,2,0,0|1,0,0]=3 9729 B13R2.2520 O=CCNCC1CC2C=CC1C2 2230a_100000189500_200015260668 [0,0,0,2,0,0|1,0,0]=3 9730 B13R2.2520 O=CCNCC1CC2C=CC1C2 34a_100000189500_200009817547 [0,0,0,2,0,0|1,0,0]=3 9731 B13R2.2520 O=CCOCC1CC2C=CC1C2 34a_100011215361_200009817547 [0,0,0,2,0,0|1,0,0]=3 9732 B13R2.2520 O=CCSCC1CC2C=CC1C2 62a_100000139495_200015260668 [0,0,0,2,0,0|1,0,0]=3 9733 B13R2.2520 O=CCSCC1CC2C=CC1C2 62a_200015260668_100000139495 [0,0,0,2,0,0|1,0,0]=3 9734 B13R2.360 O=C1CCCC1OC2CCC2=O 34a_200000719330_100009892977 [0,0,0,2,0,0|2,0,0]=4 9735 B13R2.360 O=C1CCCC1SC2CCC2=O 62a_100000211823_100009892977 [0,0,0,2,0,0|2,0,0]=4 9736 B13R2.360 O=C1CCCC1SC2CCC2=O 62a_100009892977_100000211823 [0,0,0,2,0,0|2,0,0]=4