0 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,0,0,0,0,0|2,0,1]=3 10 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.3 C#CCCCCCOCCON 34a_100000700252_100012094781 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,0,0,0,0,0|2,1,1]=4 14 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,0,0,0,0,0|2,1,1]=4 15 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,0,0,0,0,0|2,1,1]=4 16 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,0,0,0,0,0|2,1,1]=4 17 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,0,0,0,0,0|2,1,1]=4 18 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,0,0,0,0,0|2,1,1]=4 19 B11R0.3 C#CCCCSCOCCOC 62a_100000231047_100011215417 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.3 C#CCCCSCOCCOC 62a_100011215417_100000231047 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.3 C#CCCNCCCCCOC 2230a_100000747528_100000688953 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.3 C#CCCNCCCCCOC 34a_100000747528_100000688953 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.3 C#CCCNCCOCCOC 2230a_100000745349_100000688953 [0,0,0,0,0,0|2,0,1]=3 25 B11R0.3 C#CCCNCCOCCOC 34a_100000745349_100000688953 [0,0,0,0,0,0|2,0,1]=3 26 B11R0.3 C#CCCNCCOCCOC 34a_100000755551_100000695917 [0,0,0,0,0,0|2,0,1]=3 27 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,0,0,0,0,0|2,0,1]=3 34 B11R0.3 C#CCCOCCOCCNC 34a_100000228057_100000688953 [0,0,0,0,0,0|2,0,1]=3 35 B11R0.3 C#CCCOCCOCCOC 34a_100011215163_100000688953 [0,0,0,0,0,0|1,0,1]=2 36 B11R0.3 C#CCCOCCOCCOC 34a_100011215631_100000695917 [0,0,0,0,0,0|1,0,1]=2 37 B11R0.3 C#CCCOCCOCCOC 7a_100011215163_100000688953 [0,0,0,0,0,0|1,0,1]=2 38 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,0,0,0,0,0|2,1,1]=4 39 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,0,0,0,0,0|2,1,1]=4 40 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,0,0,0,0,0|2,1,1]=4 41 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,0,0,0,0,0|2,1,1]=4 42 B11R0.3 C#CCCSCCOCCOC 62a_100000688953_100000695917 [0,0,0,0,0,0|1,1,1]=3 43 B11R0.3 C#CCCSCCOCCOC 62a_100000695917_100000688953 [0,0,0,0,0,0|1,1,1]=3 44 B11R0.3 C#CCNCCCOCCOC 2230a_100000206027_100000038162 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.3 C#CCNCCCOCCOC 34a_100000206027_100000184674 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.3 C#CCNCCCOCCOC 34a_100000212058_100011216529 [0,0,0,0,0,0|3,0,1]=4 47 B11R0.3 C#CCOCCCOCCOC 34a_100000210247_100011216529 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.3 C#CCSCCCOCCOC 62a_100000038162_100011216529 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.3 C/C=C/CNCCOCCOC 34a_100000745349_100102629194 [0,0,0,0,0,0|2,0,1]=3 51 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [0,0,0,0,0,0|2,0,1]=3 56 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [0,0,0,0,0,0|2,0,1]=3 57 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [0,0,0,0,0,0|2,0,1]=3 58 B11R0.3 C/C=C/COCCOCCNC 34a_100000228057_100102629194 [0,0,0,0,0,0|2,0,1]=3 59 B11R0.3 C/C=C/COCCOCCOC 34a_100011215163_100102629194 [0,0,0,0,0,0|1,0,1]=2 60 B11R0.3 C/C=C/COCCOCCOC 34a_100016270725_100000695917 [0,0,0,0,0,0|1,0,1]=2 61 B11R0.3 C/C=C/COCCOCCOC 7a_100011215163_100102629194 [0,0,0,0,0,0|1,0,1]=2 62 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [0,0,0,0,0,0|2,1,1]=4 63 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [0,0,0,0,0,0|2,1,1]=4 64 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [0,0,0,0,0,0|2,1,1]=4 65 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [0,0,0,0,0,0|2,1,1]=4 66 B11R0.3 C/C=C/CSCCOCCOC 62a_100000695917_100102629194 [0,0,0,0,0,0|1,1,1]=3 67 B11R0.3 C/C=C/CSCCOCCOC 62a_100102629194_100000695917 [0,0,0,0,0,0|1,1,1]=3 68 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,0,0,0,0,0|3,0,1]=4 69 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,0,0,0,0,0|3,0,1]=4 70 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,0,0,0,0,0|2,0,1]=3 79 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,0,0,0,0,0|2,0,1]=3 80 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,0,0,0,0,0|2,1,1]=4 83 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,0,0,0,0,0|2,1,1]=4 84 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,0,0,0,0,0|2,1,1]=4 85 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,0,0,0,0,0|2,1,1]=4 86 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,0,0,0,0,0|2,1,1]=4 87 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,0,0,0,0,0|2,1,1]=4 88 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [0,0,0,0,0,0|3,0,1]=4 90 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [0,0,0,0,0,0|3,0,1]=4 91 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,0,0,0,0,0|3,0,1]=4 93 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,0,0,0,0,0|3,0,1]=4 94 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,0,0,0,0,0|2,0,1]=3 95 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,0,0,0,0,0|2,0,1]=3 96 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,0,0,0,0,0|2,0,1]=3 97 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,0,0,0,0,0|3,0,1]=4 98 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,0,0,0,0,0|3,0,1]=4 99 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,0,0,0,0,0|3,0,1]=4 100 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,0,0,0,0,0|2,0,1]=3 102 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,0,0,0,0,0|2,0,1]=3 103 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,0,0,0,0,0|2,0,1]=3 104 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,0,0,0,0,0|2,0,1]=3 105 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,0,0,0,0,0|1,0,1]=2 106 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,0,0,0,0,0|1,0,1]=2 107 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,0,0,0,0,0|1,0,1]=2 108 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,0,0,0,0,0|2,1,1]=4 109 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,0,0,0,0,0|2,1,1]=4 110 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,0,0,0,0,0|2,1,1]=4 111 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,0,0,0,0,0|2,1,1]=4 112 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,0,0,0,0,0|1,1,1]=3 113 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,0,0,0,0,0|1,1,1]=3 114 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,0,0,0,0,0|3,0,1]=4 116 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,0,0,0,0,0|3,0,1]=4 117 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,0,0,0,0,0|3,0,1]=4 118 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [0,0,0,0,0,0|3,0,1]=4 119 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.3 CC#CCNCCCCCOC 2230a_100000747528_100000748600 [0,0,0,0,0,0|3,0,1]=4 123 B11R0.3 CC#CCNCCCCCOC 34a_100000747528_100000748600 [0,0,0,0,0,0|3,0,1]=4 124 B11R0.3 CC#CCNCCOCCCC 2230a_100000685387_100000743108 [0,0,0,0,0,0|3,0,1]=4 125 B11R0.3 CC#CCNCCOCCCC 34a_100000685387_100000743108 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.3 CC#CCNCCOCCOC 2230a_100000685387_100000695917 [0,0,0,0,0,0|2,0,1]=3 127 B11R0.3 CC#CCNCCOCCOC 2230a_100000745349_100000748600 [0,0,0,0,0,0|2,0,1]=3 128 B11R0.3 CC#CCNCCOCCOC 34a_100000685387_100000695917 [0,0,0,0,0,0|2,0,1]=3 129 B11R0.3 CC#CCNCCOCCOC 34a_100000745349_100000748600 [0,0,0,0,0,0|2,0,1]=3 130 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,0,0,0,0,0|3,0,1]=4 131 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,0,0,0,0,0|3,0,1]=4 132 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,0,0,0,0,0|3,0,1]=4 133 B11R0.3 CC#CCOCCCCCNC 34a_100000722520_100000748600 [0,0,0,0,0,0|3,0,1]=4 134 B11R0.3 CC#CCOCCOCCCC 34a_100000210238_100000748600 [0,0,0,0,0,0|2,0,1]=3 135 B11R0.3 CC#CCOCCOCCCC 34a_100000761923_100000743108 [0,0,0,0,0,0|2,0,1]=3 136 B11R0.3 CC#CCOCCOCCCC 7a_100000210238_100000748600 [0,0,0,0,0,0|2,0,1]=3 137 B11R0.3 CC#CCOCCOCCNC 34a_100000228057_100000748600 [0,0,0,0,0,0|2,0,1]=3 138 B11R0.3 CC#CCOCCOCCOC 34a_100000761923_100000695917 [0,0,0,0,0,0|1,0,1]=2 139 B11R0.3 CC#CCOCCOCCOC 34a_100011215163_100000748600 [0,0,0,0,0,0|1,0,1]=2 140 B11R0.3 CC#CCOCCOCCOC 7a_100011215163_100000748600 [0,0,0,0,0,0|1,0,1]=2 141 B11R0.3 CC#CCOCCSCCCC 34a_200000230436_100000748600 [0,0,0,0,0,0|2,1,1]=4 142 B11R0.3 CC#CCOCCSCCCC 7a_200000230436_100000748600 [0,0,0,0,0,0|2,1,1]=4 143 B11R0.3 CC#CCSCCOCCCC 62a_100000743108_100000748600 [0,0,0,0,0,0|2,1,1]=4 144 B11R0.3 CC#CCSCCOCCCC 62a_100000748600_100000743108 [0,0,0,0,0,0|2,1,1]=4 145 B11R0.3 CC#CCSCCOCCOC 62a_100000695917_100000748600 [0,0,0,0,0,0|1,1,1]=3 146 B11R0.3 CC#CCSCCOCCOC 62a_100000748600_100000695917 [0,0,0,0,0,0|1,1,1]=3 147 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,0,0,0,0,0|3,0,1]=4 151 B11R0.3 CC=CCNCCOCCOC 2230a_100000745349_100000070051 [0,0,0,0,0,0|2,0,1]=3 152 B11R0.3 CC=CCNCCOCCOC 34a_100000745349_100000070051 [0,0,0,0,0,0|2,0,1]=3 153 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,0,0,0,0,0|3,0,1]=4 155 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [0,0,0,0,0,0|3,0,1]=4 156 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [0,0,0,0,0,0|2,0,1]=3 157 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [0,0,0,0,0,0|2,0,1]=3 158 B11R0.3 CC=CCOCCOCCNC 34a_100000228057_100000070051 [0,0,0,0,0,0|2,0,1]=3 159 B11R0.3 CC=CCOCCOCCOC 34a_100011215163_100000070051 [0,0,0,0,0,0|1,0,1]=2 160 B11R0.3 CC=CCOCCOCCOC 7a_100011215163_100000070051 [0,0,0,0,0,0|1,0,1]=2 161 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [0,0,0,0,0,0|2,1,1]=4 162 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [0,0,0,0,0,0|2,1,1]=4 163 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [0,0,0,0,0,0|2,1,1]=4 164 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [0,0,0,0,0,0|2,1,1]=4 165 B11R0.3 CC=CCSCCOCCOC 62a_100000070051_100000695917 [0,0,0,0,0,0|1,1,1]=3 166 B11R0.3 CC=CCSCCOCCOC 62a_100000695917_100000070051 [0,0,0,0,0,0|1,1,1]=3 167 B11R0.3 CCCC#CCCOCCCC 34a_100000042726_100000210210 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.3 CCCC#CCCOCCCC 7a_100000042726_100000210211 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.3 CCCC#CCCOCCOC 34a_100000042726_100011201679 [0,0,0,0,0,0|2,0,1]=3 170 B11R0.3 CCCC#CCCOCCOC 7a_100000042726_100000233755 [0,0,0,0,0,0|2,0,1]=3 171 B11R0.3 CCCC#CCCOCCSC 34a_100000042726_100000212216 [0,0,0,0,0,0|2,1,1]=4 172 B11R0.3 CCCC#CCCOCCSC 7a_100000042726_100000212216 [0,0,0,0,0,0|2,1,1]=4 173 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.3 CCCC/C=C/COCCOC 34a_200016272032_100011201679 [0,0,0,0,0,0|2,0,1]=3 180 B11R0.3 CCCC/C=C/COCCOC 7a_200016272032_100000233755 [0,0,0,0,0,0|2,0,1]=3 181 B11R0.3 CCCC/C=C/COCCSC 34a_200016272032_100000212216 [0,0,0,0,0,0|2,1,1]=4 182 B11R0.3 CCCC/C=C/COCCSC 7a_200016272032_100000212216 [0,0,0,0,0,0|2,1,1]=4 183 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,0,0,0,0,0|3,0,1]=4 184 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,0,0,0,0,0|3,0,1]=4 185 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,0,0,0,0,0|3,0,1]=4 186 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.3 CCCCC#CCOCCCC 34a_200000034558_100000210210 [0,0,0,0,0,0|3,0,1]=4 188 B11R0.3 CCCCC#CCOCCCC 7a_200000034558_100000210211 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.3 CCCCC#CCOCCOC 34a_200000034558_100011201679 [0,0,0,0,0,0|2,0,1]=3 190 B11R0.3 CCCCC#CCOCCOC 7a_200000034558_100000233755 [0,0,0,0,0,0|2,0,1]=3 191 B11R0.3 CCCCC#CCOCCSC 34a_200000034558_100000212216 [0,0,0,0,0,0|2,1,1]=4 192 B11R0.3 CCCCC#CCOCCSC 7a_200000034558_100000212216 [0,0,0,0,0,0|2,1,1]=4 193 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,0,0,0,0,0|4,0,0]=4 202 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,0,0,0,0,0|4,0,0]=4 203 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,0,0,0,0,0|4,0,0]=4 204 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,0,0,0,0,0|4,0,0]=4 205 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,0,0,0,0,0|4,0,0]=4 206 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,0,0,0,0,0|4,0,0]=4 207 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,0,0,0,0,0|4,0,0]=4 208 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,0,0,0,0,0|3,0,0]=3 209 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,0,0,0,0,0|3,0,0]=3 210 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,0,0,0,0,0|3,0,0]=3 211 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,0,0,0,0,0|3,0,0]=3 212 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,0,0,0,0,0|3,0,0]=3 213 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,0,0,0,0,0|3,1,0]=4 214 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,0,0,0,0,0|3,1,0]=4 215 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,0,0,0,0,0|4,0,0]=4 216 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,0,0,0,0,0|4,0,0]=4 217 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,0,0,0,0,0|4,0,0]=4 218 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,0,0,0,0,0|4,0,0]=4 219 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,0,0,0,0,0|4,0,0]=4 220 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,0,0,0,0,0|4,0,0]=4 221 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,0,0,0,0,0|3,0,0]=3 222 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,0,0,0,0,0|3,0,0]=3 223 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,0,0,0,0,0|3,1,0]=4 224 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,0,0,0,0,0|3,1,0]=4 225 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,0,0,0,0,0|4,0,0]=4 226 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,0,0,0,0,0|4,0,0]=4 227 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,0,0,0,0,0|3,0,0]=3 228 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,0,0,0,0,0|3,0,0]=3 229 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,0,0,0,0,0|3,0,0]=3 230 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,0,0,0,0,0|3,0,0]=3 231 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,0,0,0,0,0|4,0,0]=4 232 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,0,0,0,0,0|4,0,0]=4 233 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,0,0,0,0,0|4,0,0]=4 234 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,0,0,0,0,0|4,0,0]=4 235 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,0,0,0,0,0|4,0,0]=4 236 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,0,0,0,0,0|4,0,0]=4 237 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,0,0,0,0,0|4,0,0]=4 238 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,0,0,0,0,0|2,0,0]=2 239 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,0,0,0,0,0|2,0,0]=2 240 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,0,0,0,0,0|2,0,0]=2 241 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,0,0,0,0,0|3,0,0]=3 242 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,0,0,0,0,0|2,1,0]=3 243 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,0,0,0,0,0|2,1,0]=3 244 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,0,0,0,0,0|2,1,0]=3 245 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,0,0,0,0,0|2,1,0]=3 246 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,0,0,0,0,0|3,1,0]=4 247 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,0,0,0,0,0|3,1,0]=4 248 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,0,0,0,0,0|2,1,0]=3 249 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,0,0,0,0,0|2,1,0]=3 250 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,0,0,0,0,0|2,2,0]=4 251 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,0,0,0,0,0|2,2,0]=4 252 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,0,0,0,0,0|4,0,0]=4 253 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,0,0,0,0,0|4,0,0]=4 254 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,0,0,0,0,0|4,0,0]=4 255 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,0,0,0,0,0|4,0,0]=4 256 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,0,0,0,0,0|4,0,0]=4 257 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,0,0,0,0,0|4,0,0]=4 258 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,0,0,0,0,0|4,0,0]=4 259 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,0,0,0,0,0|4,0,0]=4 260 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,0,0,0,0,0|4,0,0]=4 261 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,0,0,0,0,0|3,0,0]=3 262 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,0,0,0,0,0|4,0,0]=4 263 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,0,0,0,0,0|4,0,0]=4 264 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,0,0,0,0,0|4,0,0]=4 265 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,0,0,0,0,0|4,0,0]=4 266 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,0,0,0,0,0|4,0,0]=4 267 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,0,0,0,0,0|4,0,0]=4 268 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,0,0,0,0,0|4,0,0]=4 269 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,0,0,0,0,0|4,0,0]=4 270 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,0,0,0,0,0|3,0,0]=3 271 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,0,0,0,0,0|3,0,0]=3 272 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,0,0,0,0,0|3,0,0]=3 273 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,0,0,0,0,0|3,0,0]=3 274 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,0,0,0,0,0|3,0,0]=3 275 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,0,0,0,0,0|3,0,0]=3 276 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,0,0,0,0,0|2,0,0]=2 277 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,0,0,0,0,0|2,0,0]=2 278 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,0,0,0,0,0|2,0,0]=2 279 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,0,0,0,0,0|2,0,0]=2 280 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,0,0,0,0,0|3,1,0]=4 281 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,0,0,0,0,0|4,0,0]=4 282 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,0,0,0,0,0|4,0,0]=4 283 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,0,0,0,0,0|4,0,0]=4 284 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,0,0,0,0,0|4,0,0]=4 285 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,0,0,0,0,0|4,0,0]=4 286 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,0,0,0,0,0|4,0,0]=4 287 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,0,0,0,0,0|4,0,0]=4 288 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,0,0,0,0,0|4,0,0]=4 289 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,0,0,0,0,0|4,0,0]=4 290 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,0,0,0,0,0|4,0,0]=4 291 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,0,0,0,0,0|4,0,0]=4 292 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,0,0,0,0,0|4,0,0]=4 293 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,0,0,0,0,0|4,0,0]=4 294 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,0,0,0,0,0|3,0,0]=3 295 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,0,0,0,0,0|4,0,0]=4 296 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,0,0,0,0,0|4,0,0]=4 297 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,0,0,0,0,0|4,0,0]=4 298 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,0,0,0,0,0|4,0,0]=4 299 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,0,0,0,0,0|3,0,0]=3 300 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,0,0,0,0,0|3,1,0]=4 301 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,0,0,0,0,0|3,1,0]=4 302 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,0,0,0,0,0|4,0,0]=4 303 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,0,0,0,0,0|4,0,0]=4 304 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,0,0,0,0,0|3,1,0]=4 305 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,0,0,0,0,0|4,0,0]=4 306 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,0,0,0,0,0|4,0,0]=4 307 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,0,0,0,0,0|2,0,0]=2 308 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,0,0,0,0,0|2,1,0]=3 309 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,0,0,0,0,0|3,0,0]=3 310 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,0,0,0,0,0|3,0,0]=3 311 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,0,0,0,0,0|2,0,0]=2 312 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,0,0,0,0,0|2,0,0]=2 313 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,0,0,0,0,0|2,0,0]=2 314 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,0,0,0,0,0|2,0,0]=2 315 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,0,0,0,0,0|3,0,0]=3 316 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,0,0,0,0,0|3,0,0]=3 317 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,0,0,0,0,0|3,0,0]=3 318 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,0,0,0,0,0|3,0,0]=3 319 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,0,0,0,0,0|3,0,0]=3 320 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,0,0,0,0,0|3,0,0]=3 321 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,0,0,0,0,0|3,0,0]=3 322 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,0,0,0,0,0|2,0,0]=2 323 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,0,0,0,0,0|1,0,0]=1 324 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,0,0,0,0,0|1,0,0]=1 325 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,0,0,0,0,0|1,0,0]=1 326 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,0,0,0,0,0|1,0,0]=1 327 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,0,0,0,0,0|1,0,0]=1 328 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,0,0,0,0,0|1,0,0]=1 329 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,0,0,0,0,0|1,0,0]=1 330 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,0,0,0,0,0|1,0,0]=1 331 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,0,0,0,0,0|1,0,0]=1 332 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,0,0,0,0,0|2,0,0]=2 333 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,0,0,0,0,0|1,0,0]=1 334 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,0,0,0,0,0|1,0,0]=1 335 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,0,0,0,0,0|1,1,0]=2 336 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,0,0,0,0,0|1,1,0]=2 337 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,0,0,0,0,0|1,1,0]=2 338 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,0,0,0,0,0|1,1,0]=2 339 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,0,0,0,0,0|3,1,0]=4 340 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,0,0,0,0,0|3,1,0]=4 341 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,0,0,0,0,0|2,1,0]=3 342 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,0,0,0,0,0|2,1,0]=3 343 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,0,0,0,0,0|2,1,0]=3 344 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,0,0,0,0,0|2,1,0]=3 345 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,0,0,0,0,0|3,1,0]=4 346 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,0,0,0,0,0|3,1,0]=4 347 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,0,0,0,0,0|3,1,0]=4 348 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,0,0,0,0,0|3,1,0]=4 349 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,0,0,0,0,0|1,1,0]=2 350 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,0,0,0,0,0|1,1,0]=2 351 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,0,0,0,0,0|1,2,0]=3 352 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,0,0,0,0,0|1,2,0]=3 353 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [0,0,0,0,0,0|3,1,0]=4 354 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [0,0,0,0,0,0|3,1,0]=4 355 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,0,0,0,0,0|3,0,0]=3 356 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,0,0,0,0,0|3,1,0]=4 357 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,0,0,0,0,0|4,0,0]=4 358 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,0,0,0,0,0|3,0,0]=3 359 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,0,0,0,0,0|3,1,0]=4 360 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,0,0,0,0,0|3,0,0]=3 361 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,0,0,0,0,0|3,0,0]=3 362 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,0,0,0,0,0|2,1,0]=3 363 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,0,0,0,0,0|2,2,0]=4 364 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,0,0,0,0,0|3,1,0]=4 365 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,0,0,0,0,0|3,1,0]=4 366 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,0,0,0,0,0|3,1,0]=4 367 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,0,0,0,0,0|3,1,0]=4 368 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,0,0,0,0,0|3,1,0]=4 369 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,0,0,0,0,0|1,1,0]=2 370 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,0,0,0,0,0|1,1,0]=2 371 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,0,0,0,0,0|1,1,0]=2 372 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,0,0,0,0,0|1,1,0]=2 373 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,0,0,0,0,0|1,2,0]=3 374 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,0,0,0,0,0|1,2,0]=3 375 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,0,0,0,0,0|3,0,0]=3 376 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,0,0,0,0,0|3,0,0]=3 377 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,0,0,0,0,0|4,0,0]=4 378 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,0,0,0,0,0|4,0,0]=4 379 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,0,0,0,0,0|4,0,0]=4 380 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,0,0,0,0,0|4,0,0]=4 381 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,0,0,0,0,0|4,0,0]=4 382 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,0,0,0,0,0|3,0,0]=3 383 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,0,0,0,0,0|4,0,0]=4 384 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,0,0,0,0,0|4,0,0]=4 385 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,0,0,0,0,0|3,0,0]=3 386 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,0,0,0,0,0|3,0,0]=3 387 B11R0.3 CCOCCNCOCCOC 2230a_102516460346_100000231047 [0,0,0,0,0,0|4,0,0]=4 388 B11R0.3 CCOCCSCOCCOC 62a_100000210147_100000231047 [0,0,0,0,0,0|4,0,0]=4 389 B11R0.3 CCOCCSCOCCOC 62a_100000231047_100011215890 [0,0,0,0,0,0|4,0,0]=4 390 B11R0.3 CCOCSCCOCCOC 62a_100000695917_100000739092 [0,0,0,0,0,0|2,1,0]=3 391 B11R0.3 CCOCSCCOCCOC 62a_100000739092_100000695917 [0,0,0,0,0,0|2,1,0]=3 392 B11R0.3 CCSCCNCOCCOC 2230a_100000106463_100000231047 [0,0,0,0,0,0|4,0,0]=4 393 B11R0.3 CCSCCSCOCCOC 62a_100000231047_100000757381 [0,0,0,0,0,0|4,0,0]=4 394 B11R0.3 CCSCCSCOCCOC 62a_100000757381_100000231047 [0,0,0,0,0,0|4,0,0]=4 395 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,0,0,0,0,0|4,0,0]=4 396 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,0,0,0,0,0|4,0,0]=4 397 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,0,0,0,0,0|2,0,0]=2 398 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,0,0,0,0,0|2,1,0]=3 399 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,0,0,0,0,0|4,0,0]=4 400 B11R0.3 CNCCOCCOCCCF 34a_100000228057_100011934791 [0,0,0,0,0,0|3,0,0]=3 401 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,0,0,0,0,0|3,0,0]=3 402 B11R0.3 CNCCOCCOCCOC 2230a_100012028300_200000210301 [0,0,0,0,0,0|1,0,0]=1 403 B11R0.3 CNCCOCCOCCOC 2230a_106832991635_100013367474 [0,0,0,0,0,0|1,0,0]=1 404 B11R0.3 CNCCOCCOCCOC 34a_100000228057_100011201679 [0,0,0,0,0,0|1,0,0]=1 405 B11R0.3 CNCCOCCOCCOC 34a_100012028300_200000210301 [0,0,0,0,0,0|1,0,0]=1 406 B11R0.3 CNCCOCCOCCOC 34a_100102657272_100013367474 [0,0,0,0,0,0|1,0,0]=1 407 B11R0.3 CNCCOCCOCCOC 34a_200014138305_200000210301 [0,0,0,0,0,0|1,0,0]=1 408 B11R0.3 CNCCOCCOCCOC 7a_106832991635_100013367474 [0,0,0,0,0,0|1,0,0]=1 409 B11R0.3 CNCCOCCOCCO[13CH3] 34a_200014138305_200025704644 [0,0,0,0,0,0|1,0,0]=1 410 B11R0.3 CNCCOCCOCCSC 34a_100000228057_100000212216 [0,0,0,0,0,0|1,1,0]=2 411 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,0,0,0,0,0|4,0,0]=4 412 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,0,0,0,0,0|4,0,0]=4 413 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,0,0,0,0,0|4,0,0]=4 414 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,0,0,0,0,0|4,0,0]=4 415 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,0,0,0,0,0|4,0,0]=4 416 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,0,0,0,0,0|4,0,0]=4 417 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,0,0,0,0,0|3,1,0]=4 418 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,0,0,0,0,0|3,0,0]=3 419 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,0,0,0,0,0|3,0,0]=3 420 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,0,0,0,0,0|3,1,0]=4 421 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,0,0,0,0,0|3,1,0]=4 422 B11R0.3 COCCCCCNCCC#N 2230a_100000747528_100011215226 [0,0,0,0,0,0|4,0,0]=4 423 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,0,0,0,0,0|4,0,0]=4 424 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,0,0,0,0,0|4,0,0]=4 425 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,0,0,0,0,0|4,0,0]=4 426 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,0,0,0,0,0|4,0,0]=4 427 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,0,0,0,0,0|2,0,0]=2 428 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,0,0,0,0,0|2,0,0]=2 429 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,0,0,0,0,0|2,1,0]=3 430 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,0,0,0,0,0|2,1,0]=3 431 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,0,0,0,0,0|3,0,0]=3 432 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,0,0,0,0,0|3,1,0]=4 433 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,0,0,0,0,0|3,0,0]=3 434 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,0,0,0,0,0|3,0,0]=3 435 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,0,0,0,0,0|3,1,0]=4 436 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,0,0,0,0,0|3,1,0]=4 437 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,0,0,0,0,0|3,0,0]=3 438 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,0,0,0,0,0|3,0,0]=3 439 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,0,0,0,0,0|3,1,0]=4 440 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,0,0,0,0,0|3,1,0]=4 441 B11R0.3 COCCCSCOCCOC 62a_100000231047_100000709357 [0,0,0,0,0,0|2,0,0]=2 442 B11R0.3 COCCCSCOCCOC 62a_100000709357_100000231047 [0,0,0,0,0,0|2,0,0]=2 443 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,0,0,0,0,0|4,0,0]=4 444 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,0,0,0,0,0|4,0,0]=4 445 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,0,0,0,0,0|4,0,0]=4 446 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,0,0,0,0,0|4,0,0]=4 447 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,0,0,0,0,0|4,0,0]=4 448 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,0,0,0,0,0|4,0,0]=4 449 B11R0.3 COCCNCCOCCOC 2230a_100000209980_100000695917 [0,0,0,0,0,0|1,0,0]=1 450 B11R0.3 COCCNCCOCCOC 2230a_100000745349_100011201679 [0,0,0,0,0,0|1,0,0]=1 451 B11R0.3 COCCNCCOCCOC 34a_100000745349_100011201679 [0,0,0,0,0,0|1,0,0]=1 452 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,0,0,0,0,0|3,0,0]=3 453 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,0,0,0,0,0|3,0,0]=3 454 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,0,0,0,0,0|3,0,0]=3 455 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,0,0,0,0,0|3,0,0]=3 456 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,0,0,0,0,0|3,0,0]=3 457 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,0,0,0,0,0|3,0,0]=3 458 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,0,0,0,0,0|3,0,0]=3 459 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,0,0,0,0,0|3,0,0]=3 460 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,0,0,0,0,0|3,0,0]=3 461 B11R0.3 COCCOCCCNCC#N 2230a_100000206027_100011215382 [0,0,0,0,0,0|4,0,0]=4 462 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,0,0,0,0,0|4,0,0]=4 463 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,0,0,0,0,0|4,0,0]=4 464 B11R0.3 COCCOCCCNCCF 2230a_100000206027_100011217306 [0,0,0,0,0,0|4,0,0]=4 465 B11R0.3 COCCOCCCNCCF 34a_100000206027_100011217306 [0,0,0,0,0,0|4,0,0]=4 466 B11R0.3 COCCOCCCNCCF 34a_100000724931_100011216529 [0,0,0,0,0,0|4,0,0]=4 467 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,0,0,0,0,0|4,0,0]=4 468 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,0,0,0,0,0|4,0,0]=4 469 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,0,0,0,0,0|4,0,0]=4 470 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,0,0,0,0,0|4,0,0]=4 471 B11R0.3 COCCOCCCNCOC 2230a_100000206027_100000766300 [0,0,0,0,0,0|2,0,0]=2 472 B11R0.3 COCCOCCCNCSC 2230a_100000206027_100011218213 [0,0,0,0,0,0|2,1,0]=3 473 B11R0.3 COCCOCCCNCSC 34a_100000206027_100011218213 [0,0,0,0,0,0|2,1,0]=3 474 B11R0.3 COCCOCCCOCCBr 34a_100000211926_100011216529 [0,0,0,0,0,0|4,0,0]=4 475 B11R0.3 COCCOCCCOCCN 34a_100000210304_100011216529 [0,0,0,0,0,0|4,0,0]=4 476 B11R0.3 COCCOCCCSCC#N 62a_100011215382_100011216529 [0,0,0,0,0,0|4,0,0]=4 477 B11R0.3 COCCOCCCSCC#N 62a_100011216529_100011215382 [0,0,0,0,0,0|4,0,0]=4 478 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,0,0,0,0,0|4,0,0]=4 479 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,0,0,0,0,0|4,0,0]=4 480 B11R0.3 COCCOCCCSCCF 62a_100011216529_100011217306 [0,0,0,0,0,0|4,0,0]=4 481 B11R0.3 COCCOCCCSCCF 62a_100011217306_100011216529 [0,0,0,0,0,0|4,0,0]=4 482 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,0,0,0,0,0|4,0,0]=4 483 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,0,0,0,0,0|4,0,0]=4 484 B11R0.3 COCCOCCCSCOC 62a_100000766300_100011216529 [0,0,0,0,0,0|2,0,0]=2 485 B11R0.3 COCCOCCCSCOC 62a_100011216529_100000766300 [0,0,0,0,0,0|2,0,0]=2 486 B11R0.3 COCCOCCCSCSC 62a_100011216529_100011218213 [0,0,0,0,0,0|2,1,0]=3 487 B11R0.3 COCCOCCCSCSC 62a_100011218213_100011216529 [0,0,0,0,0,0|2,1,0]=3 488 B11R0.3 COCCOCCNCCC#N 2230a_100000745349_100011215226 [0,0,0,0,0,0|3,0,0]=3 489 B11R0.3 COCCOCCNCCCF 2230a_100000745349_100011934791 [0,0,0,0,0,0|3,0,0]=3 490 B11R0.3 COCCOCCNCCCF 2230a_100015189416_100000695917 [0,0,0,0,0,0|3,0,0]=3 491 B11R0.3 COCCOCCNCCCF 34a_100000745349_100011934791 [0,0,0,0,0,0|3,0,0]=3 492 B11R0.3 COCCOCCNCCCF 34a_100015189416_100000695917 [0,0,0,0,0,0|3,0,0]=3 493 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,0,0,0,0,0|3,0,0]=3 494 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,0,0,0,0,0|3,0,0]=3 495 B11R0.3 COCCOCCNCCSC 2230a_100000745349_100000751147 [0,0,0,0,0,0|1,1,0]=2 496 B11R0.3 COCCOCCNCCSC 2230a_100020590264_100000695917 [0,0,0,0,0,0|1,1,0]=2 497 B11R0.3 COCCOCCNCCSC 34a_100000745349_100000212216 [0,0,0,0,0,0|1,1,0]=2 498 B11R0.3 COCCOCCOCCC#N 7a_100011215163_100000184422 [0,0,0,0,0,0|2,0,0]=2 499 B11R0.3 COCCOCCOCCCBr 34a_100011217188_100000695917 [0,0,0,0,0,0|2,0,0]=2 500 B11R0.3 COCCOCCOCCCCl 34a_100000230001_100000695917 [0,0,0,0,0,0|2,0,0]=2 501 B11R0.3 COCCOCCOCCCF 34a_100000759539_100000695917 [0,0,0,0,0,0|2,0,0]=2 502 B11R0.3 COCCOCCOCCCF 34a_100011215163_100011934791 [0,0,0,0,0,0|2,0,0]=2 503 B11R0.3 COCCOCCOCCCF 7a_100011215163_100011934791 [0,0,0,0,0,0|2,0,0]=2 504 B11R0.3 COCCOCCOCCCN 34a_100000182051_100000695917 [0,0,0,0,0,0|2,0,0]=2 505 B11R0.3 COCCOCCOCCCN 34a_100011996194_200000210301 [0,0,0,0,0,0|2,0,0]=2 506 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,0,0,0,0,0|2,0,0]=2 507 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,0,0,0,0,0|2,0,0]=2 508 B11R0.3 COCCOCCOCCN[13CH3] 2230a_100012028300_200025704644 [0,0,0,0,0,0|1,0,0]=1 509 B11R0.3 COCCOCCOCCN[13CH3] 34a_100012028300_200025704644 [0,0,0,0,0,0|1,0,0]=1 510 B11R0.3 COCCOCCOCCOC 34a_100000210237_100000695917 [0,0,0,0,0,0|0,0,0]=0 511 B11R0.3 COCCOCCOCCOC 34a_100000688194_200000210301 [0,0,0,0,0,0|0,0,0]=0 512 B11R0.3 COCCOCCOCCOC 34a_100011215163_100011201679 [0,0,0,0,0,0|0,0,0]=0 513 B11R0.3 COCCOCCOCCOC 34a_100138415774_100013367474 [0,0,0,0,0,0|0,0,0]=0 514 B11R0.3 COCCOCCOCCOC 7a_100000688194_200000210301 [0,0,0,0,0,0|0,0,0]=0 515 B11R0.3 COCCOCCOCCOC 7a_100011215163_100000233755 [0,0,0,0,0,0|0,0,0]=0 516 B11R0.3 COCCOCCOCCON 34a_100000700252_100000695917 [0,0,0,0,0,0|1,0,0]=1 517 B11R0.3 COCCOCCOCCO[13CH3] 34a_100000688194_200025704644 [0,0,0,0,0,0|0,0,0]=0 518 B11R0.3 COCCOCCOCCO[13CH3] 7a_100000688194_200025704644 [0,0,0,0,0,0|0,0,0]=0 519 B11R0.3 COCCOCCOCCSC 34a_100000230434_100000695917 [0,0,0,0,0,0|0,1,0]=1 520 B11R0.3 COCCOCCOCCSC 34a_100011215163_100000212216 [0,0,0,0,0,0|0,1,0]=1 521 B11R0.3 COCCOCCOCCSC 62a_100013367474_200000210301 [0,0,0,0,0,0|0,1,0]=1 522 B11R0.3 COCCOCCOCCSC 62a_200000210301_100013367474 [0,0,0,0,0,0|0,1,0]=1 523 B11R0.3 COCCOCCOCCSC 7a_100000230434_100000695917 [0,0,0,0,0,0|0,1,0]=1 524 B11R0.3 COCCOCCOCCSC 7a_100011215163_100000212216 [0,0,0,0,0,0|0,1,0]=1 525 B11R0.3 COCCOCCOCCS[13CH3] 62a_100013367474_200025704644 [0,0,0,0,0,0|0,1,0]=1 526 B11R0.3 COCCOCCOCCS[13CH3] 62a_200025704644_100013367474 [0,0,0,0,0,0|0,1,0]=1 527 B11R0.3 COCCOCCSCCC#N 62a_100000695917_100011215226 [0,0,0,0,0,0|2,1,0]=3 528 B11R0.3 COCCOCCSCCC#N 62a_100011215226_100000695917 [0,0,0,0,0,0|2,1,0]=3 529 B11R0.3 COCCOCCSCCCF 62a_100000695917_100011934791 [0,0,0,0,0,0|2,1,0]=3 530 B11R0.3 COCCOCCSCCCF 62a_100011934791_100000695917 [0,0,0,0,0,0|2,1,0]=3 531 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,0,0,0,0,0|2,1,0]=3 532 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,0,0,0,0,0|2,1,0]=3 533 B11R0.3 COCCOCCSCCOC 62a_100000233755_100000695917 [0,0,0,0,0,0|0,1,0]=1 534 B11R0.3 COCCOCCSCCOC 62a_100000695917_100000233755 [0,0,0,0,0,0|0,1,0]=1 535 B11R0.3 COCCOCCSCCSC 62a_100000212216_100000695917 [0,0,0,0,0,0|0,2,0]=2 536 B11R0.3 COCCOCCSCCSC 62a_100000695917_100000751147 [0,0,0,0,0,0|0,2,0]=2 537 B11R0.3 COCCOCCSCSC#N 62a_100000211825_100000695917 [0,0,0,0,0,0|3,1,0]=4 538 B11R0.3 COCCOCCSCSC#N 62a_100000695917_100000211825 [0,0,0,0,0,0|3,1,0]=4 539 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,0,0,0,0,0|4,0,0]=4 540 B11R0.3 COCCOCNCCCSC 2230a_100000749238_100000231047 [0,0,0,0,0,0|2,1,0]=3 541 B11R0.3 COCCOCSCCCC#N 62a_100000231047_100000687738 [0,0,0,0,0,0|4,0,0]=4 542 B11R0.3 COCCOCSCCCC#N 62a_100000687738_100000231047 [0,0,0,0,0,0|4,0,0]=4 543 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,0,0,0,0,0|4,0,0]=4 544 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,0,0,0,0,0|4,0,0]=4 545 B11R0.3 COCCOCSCCCCF 62a_100000231047_100000729493 [0,0,0,0,0,0|4,0,0]=4 546 B11R0.3 COCCOCSCCCCF 62a_100000729493_100000231047 [0,0,0,0,0,0|4,0,0]=4 547 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,0,0,0,0,0|4,0,0]=4 548 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,0,0,0,0,0|4,0,0]=4 549 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,0,0,0,0,0|3,1,0]=4 550 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,0,0,0,0,0|3,1,0]=4 551 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,0,0,0,0,0|3,1,0]=4 552 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,0,0,0,0,0|3,1,0]=4 553 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,0,0,0,0,0|3,1,0]=4 554 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,0,0,0,0,0|3,1,0]=4 555 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,0,0,0,0,0|3,1,0]=4 556 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,0,0,0,0,0|3,1,0]=4 557 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,0,0,0,0,0|4,0,0]=4 558 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,0,0,0,0,0|3,1,0]=4 559 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,0,0,0,0,0|3,1,0]=4 560 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,0,0,0,0,0|3,1,0]=4 561 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,0,0,0,0,0|3,1,0]=4 562 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,0,0,0,0,0|3,1,0]=4 563 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,0,0,0,0,0|3,1,0]=4 564 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,0,0,0,0,0|3,1,0]=4 565 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,0,0,0,0,0|3,1,0]=4 566 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,0,0,0,0,0|3,1,0]=4 567 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,0,0,0,0,0|3,1,0]=4 568 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,0,0,0,0,0|3,1,0]=4 569 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,0,0,0,0,0|3,1,0]=4 570 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,0,0,0,0,0|3,1,0]=4 571 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,0,0,0,0,0|4,0,0]=4 572 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,0,0,0,0,0|4,0,0]=4 573 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,0,0,0,0,0|4,0,0]=4 574 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,0,0,0,0,0|4,0,0]=4 575 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,0,0,0,0,0|4,0,0]=4 576 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,0,0,0,0,0|4,0,0]=4 577 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,0,0,0,0,0|4,0,0]=4 578 B11R0.3 [13CH3]OCCOCCOCCCN 34a_100011996194_200025704644 [0,0,0,0,0,0|2,0,0]=2 579 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,0,0,0,0,0|2,0,1]=4 580 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,0,0,0,0,0|2,0,1]=4 581 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,0,0,0,0,0|2,0,1]=4 582 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,0,0,0,0,0|2,0,1]=4 583 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,0,0,0,0,0|2,0,1]=4 584 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,0,0,0,0,0|2,0,1]=4 585 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,0,0,0,0,0|2,0,1]=4 586 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,0,0,0,0,0|2,0,1]=4 587 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [1,0,0,0,0,0|2,0,1]=4 588 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [1,0,0,0,0,0|2,0,1]=4 589 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [1,0,0,0,0,0|2,0,1]=4 590 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [1,0,0,0,0,0|2,0,1]=4 591 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [1,0,0,0,0,0|2,0,1]=4 592 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,0,0,0,0,0|2,0,1]=4 593 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,0,0,0,0,0|2,0,1]=4 594 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,0,0,0,0,0|2,0,1]=4 595 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,0,0,0,0,0|2,0,1]=4 596 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [1,0,0,0,0,0|1,0,1]=3 597 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [1,0,0,0,0,0|1,0,1]=3 598 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [1,0,0,0,0,0|1,0,1]=3 599 B10R0.71 C#CCCCCOCCON 34a_100000700252_100010269958 [1,0,0,0,0,0|2,0,1]=4 600 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [1,0,0,0,0,0|1,1,1]=4 601 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [1,0,0,0,0,0|1,1,1]=4 602 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [1,0,0,0,0,0|1,1,1]=4 603 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [1,0,0,0,0,0|1,1,1]=4 604 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [1,0,0,0,0,0|1,1,1]=4 605 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [1,0,0,0,0,0|1,1,1]=4 606 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [1,0,0,0,0,0|2,0,1]=4 607 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [1,0,0,0,0,0|2,0,1]=4 608 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [1,0,0,0,0,0|2,0,1]=4 609 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [1,0,0,0,0,0|2,0,1]=4 610 B10R0.71 C#CCCNCCOCCO 2230a_100000211614_100000688953 [1,0,0,0,0,0|2,0,1]=4 611 B10R0.71 C#CCCNCCOCCO 34a_100000211614_100000688953 [1,0,0,0,0,0|2,0,1]=4 612 B10R0.71 C#CCCNCCOCCO 34a_100000755551_100000692535 [1,0,0,0,0,0|2,0,1]=4 613 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,0,0,0,0,0|2,0,1]=4 614 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,0,0,0,0,0|2,0,1]=4 615 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,0,0,0,0,0|2,0,1]=4 616 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [1,0,0,0,0,0|2,0,1]=4 617 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [1,0,0,0,0,0|1,0,1]=3 618 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [1,0,0,0,0,0|1,0,1]=3 619 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [1,0,0,0,0,0|1,1,1]=4 620 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [1,0,0,0,0,0|1,1,1]=4 621 B10R0.71 C#CCCOCCOCCBr 34a_100000692535_100000688953 [1,0,0,0,0,0|2,0,1]=4 622 B10R0.71 C#CCCOCCOCCBr 7a_100000692535_100000688953 [1,0,0,0,0,0|2,0,1]=4 623 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [1,0,0,0,0,0|1,0,1]=3 624 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [1,0,0,0,0,0|1,0,1]=3 625 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [1,0,0,0,0,0|1,0,1]=3 626 B10R0.71 C#CCCOCCOCCCl 34a_100011215305_100000688953 [1,0,0,0,0,0|2,0,1]=4 627 B10R0.71 C#CCCOCCOCCCl 7a_100011215305_100000688953 [1,0,0,0,0,0|2,0,1]=4 628 B10R0.71 C#CCCOCCOCCF 34a_200015357709_100000688953 [1,0,0,0,0,0|2,0,1]=4 629 B10R0.71 C#CCCOCCOCCF 7a_200015357709_100000688953 [1,0,0,0,0,0|2,0,1]=4 630 B10R0.71 C#CCCOCCOCCI 34a_100012149058_100000688953 [1,0,0,0,0,0|2,0,1]=4 631 B10R0.71 C#CCCOCCOCCI 7a_100012149058_100000688953 [1,0,0,0,0,0|2,0,1]=4 632 B10R0.71 C#CCCOCCOCCN 34a_100000211614_100000688953 [1,0,0,0,0,0|2,0,1]=4 633 B10R0.71 C#CCCOCCOCCO 34a_100011215631_100000692535 [1,0,0,0,0,0|1,0,1]=3 634 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [1,0,0,0,0,0|1,1,1]=4 635 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [1,0,0,0,0,0|1,1,1]=4 636 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [1,0,0,0,0,0|2,0,1]=4 637 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [1,0,0,0,0,0|1,1,1]=4 638 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [1,0,0,0,0,0|1,1,1]=4 639 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [1,0,0,0,0,0|1,1,1]=4 640 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [1,0,0,0,0,0|1,1,1]=4 641 B10R0.71 C#CCCSCCOCCO 62a_100000688953_100011215305 [1,0,0,0,0,0|1,1,1]=4 642 B10R0.71 C#CCCSCCOCCO 62a_100011215305_100000688953 [1,0,0,0,0,0|1,1,1]=4 643 B10R0.71 C#CCCSCOCCOC 62a_100000231047_100000688953 [1,0,0,0,0,0|1,1,1]=4 644 B10R0.71 C#CCCSCOCCOC 62a_100000688953_100000231047 [1,0,0,0,0,0|1,1,1]=4 645 B10R0.71 C#CCNCCOCCOC 2230a_100000745349_100000038162 [1,0,0,0,0,0|1,0,2]=4 646 B10R0.71 C#CCNCCOCCOC 34a_100000212058_100000695917 [1,0,0,0,0,0|1,0,2]=4 647 B10R0.71 C#CCNCCOCCOC 34a_100000745349_100000184674 [1,0,0,0,0,0|1,0,2]=4 648 B10R0.71 C#CCOCCNCCOC 2230a_100000209980_100010402529 [1,0,0,0,0,0|1,0,2]=4 649 B10R0.71 C#CCOCCNCCOC 2230a_100000700922_100011201679 [1,0,0,0,0,0|1,0,2]=4 650 B10R0.71 C#CCOCCNCCOC 34a_100000700922_100011201679 [1,0,0,0,0,0|1,0,2]=4 651 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [1,0,0,0,0,0|1,0,2]=4 652 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [1,0,0,0,0,0|1,0,2]=4 653 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [1,0,0,0,0,0|1,0,2]=4 654 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [1,0,0,0,0,0|1,0,2]=4 655 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [1,0,0,0,0,0|1,0,2]=4 656 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [1,0,0,0,0,0|1,0,2]=4 657 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [1,0,0,0,0,0|1,0,2]=4 658 B10R0.71 C#CCOCCOCCNC 2230a_100000056377_200000210301 [1,0,0,0,0,0|1,0,2]=4 659 B10R0.71 C#CCOCCOCCNC 2230a_106832991635_100010408581 [1,0,0,0,0,0|1,0,2]=4 660 B10R0.71 C#CCOCCOCCNC 34a_100000056377_200000210301 [1,0,0,0,0,0|1,0,2]=4 661 B10R0.71 C#CCOCCOCCNC 34a_100000228057_100000184674 [1,0,0,0,0,0|1,0,2]=4 662 B10R0.71 C#CCOCCOCCNC 34a_100102657272_100010408581 [1,0,0,0,0,0|1,0,2]=4 663 B10R0.71 C#CCOCCOCCNC 7a_106832991635_100010408581 [1,0,0,0,0,0|1,0,2]=4 664 B10R0.71 C#CCOCCOCCN[13CH3] 2230a_100000056377_200025704644 [1,0,0,0,0,0|1,0,2]=4 665 B10R0.71 C#CCOCCOCCN[13CH3] 34a_100000056377_200025704644 [1,0,0,0,0,0|1,0,2]=4 666 B10R0.71 C#CCOCCOCCOC 34a_100000041007_200000210301 [1,0,0,0,0,0|0,0,2]=3 667 B10R0.71 C#CCOCCOCCOC 34a_100000054580_100011201679 [1,0,0,0,0,0|0,0,2]=3 668 B10R0.71 C#CCOCCOCCOC 34a_100000210237_100010402529 [1,0,0,0,0,0|0,0,2]=3 669 B10R0.71 C#CCOCCOCCOC 34a_100000210247_100000695917 [1,0,0,0,0,0|0,0,2]=3 670 B10R0.71 C#CCOCCOCCOC 34a_100011215163_100000184674 [1,0,0,0,0,0|0,0,2]=3 671 B10R0.71 C#CCOCCOCCOC 34a_100138415774_100010408581 [1,0,0,0,0,0|0,0,2]=3 672 B10R0.71 C#CCOCCOCCOC 7a_100000041007_200000210301 [1,0,0,0,0,0|0,0,2]=3 673 B10R0.71 C#CCOCCOCCOC 7a_100000054580_100000233755 [1,0,0,0,0,0|0,0,2]=3 674 B10R0.71 C#CCOCCOCCOC 7a_100011215163_100000038162 [1,0,0,0,0,0|0,0,2]=3 675 B10R0.71 C#CCOCCOCCON 34a_100000700252_100010402529 [1,0,0,0,0,0|1,0,2]=4 676 B10R0.71 C#CCOCCOCCO[13CH3] 34a_100000041007_200025704644 [1,0,0,0,0,0|0,0,2]=3 677 B10R0.71 C#CCOCCOCCO[13CH3] 7a_100000041007_200025704644 [1,0,0,0,0,0|0,0,2]=3 678 B10R0.71 C#CCOCCOCCSC 34a_100000054580_100000212216 [1,0,0,0,0,0|0,1,2]=4 679 B10R0.71 C#CCOCCOCCSC 34a_100000230434_100010402529 [1,0,0,0,0,0|0,1,2]=4 680 B10R0.71 C#CCOCCOCCSC 62a_100010408581_200000210301 [1,0,0,0,0,0|0,1,2]=4 681 B10R0.71 C#CCOCCOCCSC 62a_200000210301_100010408581 [1,0,0,0,0,0|0,1,2]=4 682 B10R0.71 C#CCOCCOCCSC 7a_100000054580_100000212216 [1,0,0,0,0,0|0,1,2]=4 683 B10R0.71 C#CCOCCOCCSC 7a_100000230434_100010402529 [1,0,0,0,0,0|0,1,2]=4 684 B10R0.71 C#CCOCCOCCS[13CH3] 62a_100010408581_200025704644 [1,0,0,0,0,0|0,1,2]=4 685 B10R0.71 C#CCOCCOCCS[13CH3] 62a_200025704644_100010408581 [1,0,0,0,0,0|0,1,2]=4 686 B10R0.71 C#CCOCCSCCOC 62a_100000233755_100010402529 [1,0,0,0,0,0|0,1,2]=4 687 B10R0.71 C#CCOCCSCCOC 62a_100010402529_100000233755 [1,0,0,0,0,0|0,1,2]=4 688 B10R0.71 C#CCSCCOCCOC 62a_100000038162_100000695917 [1,0,0,0,0,0|0,1,2]=4 689 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,0,0,0,0,0|2,0,1]=4 690 B10R0.71 C/C=C/CNCCOCCO 34a_100000211614_100102629194 [1,0,0,0,0,0|2,0,1]=4 691 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 692 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|2,0,1]=4 693 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 694 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,0,0,0,0,0|2,0,1]=4 695 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,0,0,0,0,0|1,0,1]=3 696 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,0,0,0,0,0|1,0,1]=3 697 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,0,0,0,0,0|1,1,1]=4 698 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,0,0,0,0,0|1,1,1]=4 699 B10R0.71 C/C=C/COCCOCCBr 34a_100000692535_100102629194 [1,0,0,0,0,0|2,0,1]=4 700 B10R0.71 C/C=C/COCCOCCBr 7a_100000692535_100102629194 [1,0,0,0,0,0|2,0,1]=4 701 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,0,0,0,0,0|1,0,1]=3 702 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,0,0,0,0,0|1,0,1]=3 703 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,0,0,0,0,0|1,0,1]=3 704 B10R0.71 C/C=C/COCCOCCCl 34a_100011215305_100102629194 [1,0,0,0,0,0|2,0,1]=4 705 B10R0.71 C/C=C/COCCOCCCl 7a_100011215305_100102629194 [1,0,0,0,0,0|2,0,1]=4 706 B10R0.71 C/C=C/COCCOCCF 34a_200015357709_100102629194 [1,0,0,0,0,0|2,0,1]=4 707 B10R0.71 C/C=C/COCCOCCF 7a_200015357709_100102629194 [1,0,0,0,0,0|2,0,1]=4 708 B10R0.71 C/C=C/COCCOCCI 34a_100012149058_100102629194 [1,0,0,0,0,0|2,0,1]=4 709 B10R0.71 C/C=C/COCCOCCI 7a_100012149058_100102629194 [1,0,0,0,0,0|2,0,1]=4 710 B10R0.71 C/C=C/COCCOCCN 34a_100000211614_100102629194 [1,0,0,0,0,0|2,0,1]=4 711 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [1,0,0,0,0,0|1,0,1]=3 712 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,0,0,0,0,0|1,1,1]=4 713 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,0,0,0,0,0|1,1,1]=4 714 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,0,0,0,0,0|2,0,1]=4 715 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,0,0,0,0,0|1,1,1]=4 716 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,0,0,0,0,0|1,1,1]=4 717 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,0,0,0,0,0|1,1,1]=4 718 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,0,0,0,0,0|1,1,1]=4 719 B10R0.71 C/C=C/CSCCOCCO 62a_100011215305_100102629194 [1,0,0,0,0,0|1,1,1]=4 720 B10R0.71 C/C=C/CSCCOCCO 62a_100102629194_100011215305 [1,0,0,0,0,0|1,1,1]=4 721 B10R0.71 C/C=C/CSCOCCOC 62a_100000231047_100102629194 [1,0,0,0,0,0|1,1,1]=4 722 B10R0.71 C/C=C/CSCOCCOC 62a_100102629194_100000231047 [1,0,0,0,0,0|1,1,1]=4 723 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|2,0,1]=4 724 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|2,0,1]=4 725 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|2,0,1]=4 726 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|2,0,1]=4 727 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|2,0,1]=4 728 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|2,0,1]=4 729 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 730 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 731 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|2,0,1]=4 732 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|2,0,1]=4 733 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,0,0,0,0,0|2,0,1]=4 734 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 735 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 736 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 737 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|2,0,1]=4 738 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 739 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|2,0,1]=4 740 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,0,0,0,0,0|1,0,1]=3 741 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,0,0,0,0,0|1,0,1]=3 742 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,0,0,0,0,0|1,0,1]=3 743 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [1,0,0,0,0,0|2,0,1]=4 744 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,0,0,0,0,0|1,1,1]=4 745 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,0,0,0,0,0|1,1,1]=4 746 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,0,0,0,0,0|1,1,1]=4 747 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,0,0,0,0,0|1,1,1]=4 748 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,0,0,0,0,0|1,1,1]=4 749 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,0,0,0,0,0|1,1,1]=4 750 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|2,0,1]=4 751 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,0,0,0,0,0|2,0,1]=4 752 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 753 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 754 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [1,0,0,0,0,0|2,0,1]=4 755 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [1,0,0,0,0,0|2,0,1]=4 756 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [1,0,0,0,0,0|2,0,1]=4 757 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [1,0,0,0,0,0|2,0,1]=4 758 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 759 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|2,0,1]=4 760 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 761 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|2,0,1]=4 762 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|1,0,1]=3 763 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|1,0,1]=3 764 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|1,1,1]=4 765 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|1,1,1]=4 766 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [1,0,0,0,0,0|2,0,1]=4 767 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [1,0,0,0,0,0|2,0,1]=4 768 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,0,0,0,0,0|1,0,1]=3 769 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,0,0,0,0,0|1,0,1]=3 770 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,0,0,0,0,0|1,0,1]=3 771 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [1,0,0,0,0,0|2,0,1]=4 772 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [1,0,0,0,0,0|2,0,1]=4 773 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [1,0,0,0,0,0|2,0,1]=4 774 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [1,0,0,0,0,0|2,0,1]=4 775 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [1,0,0,0,0,0|2,0,1]=4 776 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [1,0,0,0,0,0|2,0,1]=4 777 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [1,0,0,0,0,0|2,0,1]=4 778 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [1,0,0,0,0,0|1,0,1]=3 779 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,0,0,0,0,0|1,1,1]=4 780 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,0,0,0,0,0|1,1,1]=4 781 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,0,0,0,0,0|2,0,1]=4 782 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|1,1,1]=4 783 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|1,1,1]=4 784 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,0,0,0,0,0|1,1,1]=4 785 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,0,0,0,0,0|1,1,1]=4 786 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [1,0,0,0,0,0|1,1,1]=4 787 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [1,0,0,0,0,0|1,1,1]=4 788 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [1,0,0,0,0,0|1,1,1]=4 789 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [1,0,0,0,0,0|1,1,1]=4 790 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [1,0,0,0,0,0|1,0,2]=4 791 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [1,0,0,0,0,0|1,0,2]=4 792 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [1,0,0,0,0,0|1,0,2]=4 793 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,0,0,0,0|1,0,2]=4 794 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,0,0,0,0|1,0,2]=4 795 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,0,0,0,0|1,0,2]=4 796 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,0,0,0,0|1,0,2]=4 797 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,0,0,0,0|1,0,2]=4 798 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [1,0,0,0,0,0|1,0,2]=4 799 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [1,0,0,0,0,0|0,0,2]=3 800 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [1,0,0,0,0,0|0,0,2]=3 801 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [1,0,0,0,0,0|0,0,2]=3 802 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [1,0,0,0,0,0|0,0,2]=3 803 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [1,0,0,0,0,0|0,0,2]=3 804 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [1,0,0,0,0,0|0,0,2]=3 805 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [1,0,0,0,0,0|0,0,2]=3 806 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [1,0,0,0,0,0|0,0,2]=3 807 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [1,0,0,0,0,0|0,0,2]=3 808 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [1,0,0,0,0,0|0,1,2]=4 809 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [1,0,0,0,0,0|0,1,2]=4 810 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [1,0,0,0,0,0|0,1,2]=4 811 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [1,0,0,0,0,0|0,1,2]=4 812 B10R0.71 CC#CCNCCCCOC 2230a_100000685387_100000730899 [1,0,0,0,0,0|2,0,1]=4 813 B10R0.71 CC#CCNCCCCOC 34a_100000685387_100000755781 [1,0,0,0,0,0|2,0,1]=4 814 B10R0.71 CC#CCNCCOCCC 2230a_100000685387_100011215938 [1,0,0,0,0,0|2,0,1]=4 815 B10R0.71 CC#CCNCCOCCC 2230a_100161115042_100000748600 [1,0,0,0,0,0|2,0,1]=4 816 B10R0.71 CC#CCNCCOCCC 34a_100000685387_100011215938 [1,0,0,0,0,0|2,0,1]=4 817 B10R0.71 CC#CCNCCOCCC 34a_100161115042_100000748600 [1,0,0,0,0,0|2,0,1]=4 818 B10R0.71 CC#CCNCCOCCO 2230a_100000211614_100000748600 [1,0,0,0,0,0|2,0,1]=4 819 B10R0.71 CC#CCNCCOCCO 2230a_100000685387_100011215305 [1,0,0,0,0,0|2,0,1]=4 820 B10R0.71 CC#CCNCCOCCO 34a_100000211614_100000748600 [1,0,0,0,0,0|2,0,1]=4 821 B10R0.71 CC#CCNCCOCCO 34a_100000685387_100000692535 [1,0,0,0,0,0|2,0,1]=4 822 B10R0.71 CC#CCNCOCCOC 2230a_100000685387_100000231047 [1,0,0,0,0,0|2,0,1]=4 823 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 824 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|2,0,1]=4 825 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 826 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [1,0,0,0,0,0|2,0,1]=4 827 B10R0.71 CC#CCOCCCCOC 34a_100000740925_100000748600 [1,0,0,0,0,0|1,0,1]=3 828 B10R0.71 CC#CCOCCCCOC 34a_100000761923_100000755781 [1,0,0,0,0,0|1,0,1]=3 829 B10R0.71 CC#CCOCCCCSC 34a_100011217163_100000748600 [1,0,0,0,0,0|1,1,1]=4 830 B10R0.71 CC#CCOCCCCSC 7a_100011217163_100000748600 [1,0,0,0,0,0|1,1,1]=4 831 B10R0.71 CC#CCOCCOCCBr 34a_100000692535_100000748600 [1,0,0,0,0,0|2,0,1]=4 832 B10R0.71 CC#CCOCCOCCBr 7a_100000692535_100000748600 [1,0,0,0,0,0|2,0,1]=4 833 B10R0.71 CC#CCOCCOCCC 34a_100000752267_100000748600 [1,0,0,0,0,0|1,0,1]=3 834 B10R0.71 CC#CCOCCOCCC 34a_100000761923_100011215938 [1,0,0,0,0,0|1,0,1]=3 835 B10R0.71 CC#CCOCCOCCC 7a_100000752267_100000748600 [1,0,0,0,0,0|1,0,1]=3 836 B10R0.71 CC#CCOCCOCCCl 34a_100011215305_100000748600 [1,0,0,0,0,0|2,0,1]=4 837 B10R0.71 CC#CCOCCOCCCl 7a_100011215305_100000748600 [1,0,0,0,0,0|2,0,1]=4 838 B10R0.71 CC#CCOCCOCCF 34a_200015357709_100000748600 [1,0,0,0,0,0|2,0,1]=4 839 B10R0.71 CC#CCOCCOCCF 7a_200015357709_100000748600 [1,0,0,0,0,0|2,0,1]=4 840 B10R0.71 CC#CCOCCOCCI 34a_100012149058_100000748600 [1,0,0,0,0,0|2,0,1]=4 841 B10R0.71 CC#CCOCCOCCI 7a_100012149058_100000748600 [1,0,0,0,0,0|2,0,1]=4 842 B10R0.71 CC#CCOCCOCCN 34a_100000211614_100000748600 [1,0,0,0,0,0|2,0,1]=4 843 B10R0.71 CC#CCOCCOCCO 34a_100000761923_100000692535 [1,0,0,0,0,0|1,0,1]=3 844 B10R0.71 CC#CCOCCSCCC 34a_200000230433_100000748600 [1,0,0,0,0,0|1,1,1]=4 845 B10R0.71 CC#CCOCCSCCC 7a_200000230433_100000748600 [1,0,0,0,0,0|1,1,1]=4 846 B10R0.71 CC#CCOCOCCCC 34a_100000761923_100011995733 [1,0,0,0,0,0|2,0,1]=4 847 B10R0.71 CC#CCSCCCCOC 62a_100000730899_100000748600 [1,0,0,0,0,0|1,1,1]=4 848 B10R0.71 CC#CCSCCCCOC 62a_100000748600_100000730899 [1,0,0,0,0,0|1,1,1]=4 849 B10R0.71 CC#CCSCCOCCC 62a_100000748600_100011215938 [1,0,0,0,0,0|1,1,1]=4 850 B10R0.71 CC#CCSCCOCCC 62a_100011215938_100000748600 [1,0,0,0,0,0|1,1,1]=4 851 B10R0.71 CC#CCSCCOCCO 62a_100000748600_100011215305 [1,0,0,0,0,0|1,1,1]=4 852 B10R0.71 CC#CCSCCOCCO 62a_100011215305_100000748600 [1,0,0,0,0,0|1,1,1]=4 853 B10R0.71 CC#CCSCOCCOC 62a_100000231047_100000748600 [1,0,0,0,0,0|1,1,1]=4 854 B10R0.71 CC#CCSCOCCOC 62a_100000748600_100000231047 [1,0,0,0,0,0|1,1,1]=4 855 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 856 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 857 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 858 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 859 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,0,0,0,0,0|2,0,1]=4 860 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 861 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|2,0,1]=4 862 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 863 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|2,0,1]=4 864 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,0,0,0,0,0|1,0,1]=3 865 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,0,0,0,0,0|1,0,1]=3 866 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,0,0,0,0,0|1,0,1]=3 867 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [1,0,0,0,0,0|2,0,1]=4 868 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,0,0,0,0,0|1,1,1]=4 869 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,0,0,0,0,0|1,1,1]=4 870 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,0,0,0,0,0|1,1,1]=4 871 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,0,0,0,0,0|1,1,1]=4 872 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,0,0,0,0,0|1,1,1]=4 873 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,0,0,0,0,0|1,1,1]=4 874 B10R0.71 CC=C=CCCOCCOC 34a_100011020354_100011201679 [1,0,0,0,0,0|1,0,2]=4 875 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|2,0,1]=4 876 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,0,0,0,0,0|1,0,1]=3 877 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,0,0,0,0,0|1,1,1]=4 878 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,0,0,0,0,0|2,0,1]=4 879 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,0,0,0,0,0|2,0,1]=4 880 B10R0.71 CC=CCNCCOCCO 2230a_100000211614_100000070051 [1,0,0,0,0,0|2,0,1]=4 881 B10R0.71 CC=CCNCCOCCO 34a_100000211614_100000070051 [1,0,0,0,0,0|2,0,1]=4 882 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 883 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 884 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,0,0,0,0,0|1,0,1]=3 885 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,0,0,0,0,0|1,1,1]=4 886 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,0,0,0,0,0|1,1,1]=4 887 B10R0.71 CC=CCOCCOCCBr 34a_100000692535_100000070051 [1,0,0,0,0,0|2,0,1]=4 888 B10R0.71 CC=CCOCCOCCBr 7a_100000692535_100000070051 [1,0,0,0,0,0|2,0,1]=4 889 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,0,0,0,0,0|1,0,1]=3 890 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,0,0,0,0,0|1,0,1]=3 891 B10R0.71 CC=CCOCCOCCCl 34a_100011215305_100000070051 [1,0,0,0,0,0|2,0,1]=4 892 B10R0.71 CC=CCOCCOCCCl 7a_100011215305_100000070051 [1,0,0,0,0,0|2,0,1]=4 893 B10R0.71 CC=CCOCCOCCF 34a_200015357709_100000070051 [1,0,0,0,0,0|2,0,1]=4 894 B10R0.71 CC=CCOCCOCCF 7a_200015357709_100000070051 [1,0,0,0,0,0|2,0,1]=4 895 B10R0.71 CC=CCOCCOCCI 34a_100012149058_100000070051 [1,0,0,0,0,0|2,0,1]=4 896 B10R0.71 CC=CCOCCOCCI 7a_100012149058_100000070051 [1,0,0,0,0,0|2,0,1]=4 897 B10R0.71 CC=CCOCCOCCN 34a_100000211614_100000070051 [1,0,0,0,0,0|2,0,1]=4 898 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,0,0,0,0,0|1,1,1]=4 899 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,0,0,0,0,0|1,1,1]=4 900 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,0,0,0,0,0|1,1,1]=4 901 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,0,0,0,0,0|1,1,1]=4 902 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,0,0,0,0,0|1,1,1]=4 903 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,0,0,0,0,0|1,1,1]=4 904 B10R0.71 CC=CCSCCOCCO 62a_100000070051_100011215305 [1,0,0,0,0,0|1,1,1]=4 905 B10R0.71 CC=CCSCCOCCO 62a_100011215305_100000070051 [1,0,0,0,0,0|1,1,1]=4 906 B10R0.71 CC=CCSCOCCOC 62a_100000070051_100000231047 [1,0,0,0,0,0|1,1,1]=4 907 B10R0.71 CC=CCSCOCCOC 62a_100000231047_100000070051 [1,0,0,0,0,0|1,1,1]=4 908 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,0,0,0,0,0|2,0,1]=4 909 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,0,0,0,0,0|2,0,1]=4 910 B10R0.71 CCC#CCCOCCOC 34a_100000036655_100011201679 [1,0,0,0,0,0|1,0,1]=3 911 B10R0.71 CCC#CCCOCCOC 7a_100000036655_100000233755 [1,0,0,0,0,0|1,0,1]=3 912 B10R0.71 CCC#CCCOCCSC 34a_100000036655_100000212216 [1,0,0,0,0,0|1,1,1]=4 913 B10R0.71 CCC#CCCOCCSC 7a_100000036655_100000212216 [1,0,0,0,0,0|1,1,1]=4 914 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [1,0,0,0,0,0|1,0,1]=3 917 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [1,0,0,0,0,0|1,0,1]=3 918 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [1,0,0,0,0,0|1,1,1]=4 919 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [1,0,0,0,0,0|1,1,1]=4 920 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [1,0,0,0,0,0|2,0,1]=4 921 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [1,0,0,0,0,0|2,0,1]=4 922 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [1,0,0,0,0,0|2,0,1]=4 923 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [1,0,0,0,0,0|2,0,1]=4 924 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [1,0,0,0,0,0|2,0,1]=4 925 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [1,0,0,0,0,0|2,0,1]=4 926 B10R0.71 CCCC#CCOCCOC 34a_100000034806_100011201679 [1,0,0,0,0,0|1,0,1]=3 927 B10R0.71 CCCC#CCOCCOC 7a_100000034806_100000233755 [1,0,0,0,0,0|1,0,1]=3 928 B10R0.71 CCCC#CCOCCSC 34a_100000034806_100000212216 [1,0,0,0,0,0|1,1,1]=4 929 B10R0.71 CCCC#CCOCCSC 7a_100000034806_100000212216 [1,0,0,0,0,0|1,1,1]=4 930 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,0,0,0,0,0|2,0,1]=4 931 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [1,0,0,0,0,0|2,0,1]=4 933 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [1,0,0,0,0,0|2,0,1]=4 934 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [1,0,0,0,0,0|2,0,1]=4 935 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [1,0,0,0,0,0|2,0,1]=4 936 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [1,0,0,0,0,0|2,0,1]=4 937 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [1,0,0,0,0,0|2,0,1]=4 938 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [1,0,0,0,0,0|2,0,1]=4 939 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|2,0,1]=4 940 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|2,0,1]=4 941 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|2,0,1]=4 942 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|2,0,1]=4 943 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,0,0,0,0,0|2,0,1]=4 944 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,0,0,0,0,0|2,0,1]=4 945 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,0,0,0,0,0|2,0,1]=4 946 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,0,0,0,0,0|2,0,1]=4 947 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 948 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 949 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 950 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 951 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,0,0,0,0,0|2,0,1]=4 952 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,0,0,0,0,0|2,0,1]=4 953 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,0,0,0,0,0|2,0,1]=4 954 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,0,0,0,0,0|2,0,1]=4 955 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|3,0,0]=4 956 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|3,0,0]=4 957 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|3,0,0]=4 958 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|3,0,0]=4 959 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|3,0,0]=4 960 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|3,0,0]=4 961 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|3,0,0]=4 962 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|2,0,0]=3 963 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|2,0,0]=3 964 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|2,0,0]=3 965 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|2,0,0]=3 966 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|2,0,0]=3 967 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|2,1,0]=4 968 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|2,1,0]=4 969 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|3,0,0]=4 970 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|3,0,0]=4 971 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|3,0,0]=4 972 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|3,0,0]=4 973 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|3,0,0]=4 974 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|3,0,0]=4 975 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|2,0,0]=3 976 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|2,0,0]=3 977 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|2,0,0]=3 978 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|3,0,0]=4 979 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|3,0,0]=4 980 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|3,0,0]=4 981 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|2,0,0]=3 982 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|2,0,0]=3 983 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|2,1,0]=4 984 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|2,1,0]=4 985 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|2,1,0]=4 986 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|2,1,0]=4 987 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|2,1,0]=4 988 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|2,1,0]=4 989 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|2,1,0]=4 990 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|3,0,0]=4 991 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|3,0,0]=4 992 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|3,0,0]=4 993 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|2,0,0]=3 994 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|2,0,0]=3 995 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|2,1,0]=4 996 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|2,1,0]=4 997 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,0,0,0,0,0|3,0,0]=4 998 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|3,0,0]=4 999 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|2,0,0]=3 1000 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|2,0,0]=3 1001 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|2,0,0]=3 1002 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|2,0,0]=3 1003 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|3,0,0]=4 1004 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|3,0,0]=4 1005 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|3,0,0]=4 1006 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|3,0,0]=4 1007 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|3,0,0]=4 1008 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|3,0,0]=4 1009 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|3,0,0]=4 1010 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|1,0,0]=2 1011 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|1,0,0]=2 1012 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|1,0,0]=2 1013 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|1,0,0]=2 1014 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|1,0,0]=2 1015 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|2,0,0]=3 1016 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|1,0,0]=2 1017 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|1,0,0]=2 1018 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|1,1,0]=3 1019 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|1,1,0]=3 1020 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|1,1,0]=3 1021 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|1,1,0]=3 1022 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|2,1,0]=4 1023 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|2,1,0]=4 1024 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|1,1,0]=3 1025 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|1,1,0]=3 1026 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|1,2,0]=4 1027 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|1,2,0]=4 1028 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|3,0,0]=4 1029 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|3,0,0]=4 1030 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 1031 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|3,0,0]=4 1032 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 1033 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|3,0,0]=4 1034 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|3,0,0]=4 1035 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|3,0,0]=4 1036 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|3,0,0]=4 1037 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|3,0,0]=4 1038 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|3,0,0]=4 1039 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|2,0,0]=3 1040 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|2,0,0]=3 1041 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|2,0,0]=3 1042 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|2,0,0]=3 1043 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,0,0,0,0,0|2,0,0]=3 1044 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,0,0,0,0,0|2,0,0]=3 1045 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,0,0,0,0,0|2,0,0]=3 1046 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,0,0,0,0,0|2,0,0]=3 1047 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,0,0,0,0,0|2,0,0]=3 1048 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,0,0,0,0,0|2,0,0]=3 1049 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,0]=3 1050 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,0,0,0,0,0|2,0,0]=3 1051 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,0,0,0,0,0|2,1,0]=4 1052 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,0,0,0,0,0|2,1,0]=4 1053 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,0,0,0,0,0|3,0,0]=4 1054 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,0,0,0,0,0|2,0,0]=3 1055 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,0,0,0,0,0|3,0,0]=4 1056 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|3,0,0]=4 1057 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|3,0,0]=4 1058 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|3,0,0]=4 1059 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|3,0,0]=4 1060 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|3,0,0]=4 1061 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|3,0,0]=4 1062 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|3,0,0]=4 1063 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|3,0,0]=4 1064 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|3,0,0]=4 1065 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|3,0,0]=4 1066 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|2,0,0]=3 1067 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|2,0,0]=3 1068 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|1,0,0]=2 1069 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|1,0,0]=2 1070 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|1,0,0]=2 1071 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|1,0,0]=2 1072 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|1,0,0]=2 1073 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|1,0,0]=2 1074 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|1,0,0]=2 1075 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|1,1,0]=3 1076 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|1,1,0]=3 1077 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|3,0,0]=4 1078 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|3,0,0]=4 1079 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|3,0,0]=4 1080 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|3,0,0]=4 1081 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|3,0,0]=4 1082 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|3,0,0]=4 1083 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|3,0,0]=4 1084 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|3,0,0]=4 1085 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|3,0,0]=4 1086 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|3,0,0]=4 1087 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [1,0,0,0,0,0|3,0,0]=4 1088 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,0,0,0,0,0|2,0,0]=3 1089 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,0,0,0,0,0|2,0,0]=3 1090 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [1,0,0,0,0,0|2,0,1]=4 1091 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [1,0,0,0,0,0|2,0,1]=4 1092 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|1,0,2]=4 1093 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|1,0,2]=4 1094 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,0,0,0,0,0|2,0,0]=3 1095 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,0,0,0,0,0|2,0,0]=3 1096 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,0,0,0,0,0|2,0,0]=3 1097 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,0,0,0,0|1,0,0]=2 1098 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,0,0,0,0|1,0,0]=2 1099 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,0,0,0,0|1,0,0]=2 1100 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,0,0,0,0|1,0,0]=2 1101 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,0,0,0,0|1,0,0]=2 1102 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,0,0,0,0|1,0,0]=2 1103 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,0,0,0,0|1,0,0]=2 1104 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,0,0,0,0,0|2,0,0]=3 1105 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,0,0,0,0,0|2,0,0]=3 1106 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,0,0,0,0,0|2,0,0]=3 1107 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,0,0,0,0,0|2,0,0]=3 1108 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,0,0,0,0,0|2,0,0]=3 1109 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,0,0,0,0,0|2,0,0]=3 1110 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,0,0,0,0,0|2,0,0]=3 1111 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,0,0,0,0,0|2,0,0]=3 1112 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,0,0,0,0,0|2,0,0]=3 1113 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,0]=3 1114 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,0,0,0,0,0|1,0,0]=2 1115 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,0,0,0,0,0|1,0,0]=2 1116 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,0,0,0,0,0|1,0,0]=2 1117 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,0,0,0,0,0|1,0,0]=2 1118 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,0,0,0,0,0|1,1,0]=3 1119 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,0,0,0,0|1,1,0]=3 1120 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,0,0,0,0|1,1,0]=3 1121 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,0,0,0,0|1,1,0]=3 1122 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,0,0,0,0|1,1,0]=3 1123 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [1,0,0,0,0,0|2,1,0]=4 1124 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [1,0,0,0,0,0|2,1,0]=4 1125 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,0,0,0,0,0|1,1,0]=3 1126 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,0,0,0,0,0|1,1,0]=3 1127 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,0,0,0,0,0|1,1,0]=3 1128 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,0,0,0,0,0|1,1,0]=3 1129 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [1,0,0,0,0,0|1,2,0]=4 1130 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [1,0,0,0,0,0|1,2,0]=4 1131 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,0,0,0,0,0|2,0,0]=3 1132 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [1,0,0,0,0,0|2,1,0]=4 1133 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [1,0,0,0,0,0|3,0,0]=4 1134 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,0,0,0,0,0|2,0,0]=3 1135 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [1,0,0,0,0,0|3,0,0]=4 1136 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [1,0,0,0,0,0|3,0,0]=4 1137 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,0,0,0,0,0|3,0,0]=4 1138 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,0,0,0,0,0|1,0,0]=2 1139 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [1,0,0,0,0,0|2,0,0]=3 1140 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [1,0,0,0,0,0|1,1,0]=3 1141 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,0,0,0,0,0|2,1,0]=4 1142 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,0,0,0,0,0|2,1,0]=4 1143 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,0,0,0,0,0|3,0,0]=4 1144 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,0,0,0,0,0|3,0,0]=4 1145 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,0,0,0,0,0|1,1,0]=3 1146 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,0,0,0,0,0|1,1,0]=3 1147 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [1,0,0,0,0,0|1,2,0]=4 1148 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [1,0,0,0,0,0|1,2,0]=4 1149 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|2,1,0]=4 1150 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|2,1,0]=4 1151 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|1,1,0]=3 1152 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|1,1,0]=3 1153 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,0,0,0,0,0|2,1,0]=4 1154 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,0,0,0,0,0|2,1,0]=4 1155 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [1,0,0,0,0,0|2,1,0]=4 1156 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,0,0,0,0,0|1,1,0]=3 1157 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,0,0,0,0,0|1,1,0]=3 1158 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,0,0,0,0,0|1,1,0]=3 1159 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,0,0,0,0,0|1,1,0]=3 1160 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,0,0,0,0,0|2,1,0]=4 1161 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,0,0,0,0,0|2,1,0]=4 1162 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,0,0,0,0,0|1,1,0]=3 1163 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,0,0,0,0,0|1,1,0]=3 1164 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,0,0,0,0,0|1,1,0]=3 1165 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,0,0,0,0,0|1,1,0]=3 1166 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,0,0,0,0,0|1,2,0]=4 1167 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,0,0,0,0,0|1,1,0]=3 1168 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,0,0,0,0,0|1,1,0]=3 1169 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|2,0,0]=3 1170 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|2,0,0]=3 1171 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1172 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1173 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,0,0,0,0,0|1,0,0]=2 1174 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,0,0,0,0,0|1,0,0]=2 1175 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|3,0,0]=4 1176 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|3,0,0]=4 1177 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|3,0,0]=4 1178 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|3,0,0]=4 1179 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|3,0,0]=4 1180 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|3,0,0]=4 1181 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|3,0,0]=4 1182 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|3,0,0]=4 1183 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|3,0,0]=4 1184 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|2,0,0]=3 1185 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,0,0,0,0,0|2,0,0]=3 1186 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [1,0,0,0,0,0|2,1,0]=4 1187 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [1,0,0,0,0,0|2,1,0]=4 1188 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [1,0,0,0,0,0|3,0,0]=4 1189 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [1,0,0,0,0,0|3,0,0]=4 1190 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [1,0,0,0,0,0|3,0,0]=4 1191 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [1,0,0,0,0,0|3,0,0]=4 1192 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [1,0,0,0,0,0|3,0,0]=4 1193 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,0,0,0,0,0|3,0,0]=4 1194 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,0,0,0,0,0|3,0,0]=4 1195 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [1,0,0,0,0,0|1,0,0]=2 1196 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [1,0,0,0,0,0|1,0,0]=2 1197 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [1,0,0,0,0,0|1,0,0]=2 1198 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [1,0,0,0,0,0|1,1,0]=3 1199 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [1,0,0,0,0,0|1,1,0]=3 1200 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [1,0,0,0,0,0|1,1,0]=3 1201 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [1,0,0,0,0,0|2,0,0]=3 1202 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [1,0,0,0,0,0|2,0,0]=3 1203 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [1,0,0,0,0,0|2,0,0]=3 1204 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [1,0,0,0,0,0|2,0,0]=3 1205 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [1,0,0,0,0,0|2,0,0]=3 1206 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [1,0,0,0,0,0|2,0,0]=3 1207 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,0,0,0,0,0|2,0,0]=3 1208 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,0,0,0,0,0|2,0,0]=3 1209 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,0,0,0,0,0|2,0,0]=3 1210 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [1,0,0,0,0,0|1,0,0]=2 1211 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [1,0,0,0,0,0|1,0,0]=2 1212 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [1,0,0,0,0,0|1,0,0]=2 1213 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [1,0,0,0,0,0|1,0,0]=2 1214 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [1,0,0,0,0,0|1,0,0]=2 1215 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,0,0,0,0,0|0,0,0]=1 1216 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,0,0,0,0,0|0,0,0]=1 1217 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,0,0,0,0,0|0,0,0]=1 1218 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,0,0,0,0,0|0,0,0]=1 1219 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,0,0,0,0,0|0,0,0]=1 1220 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,0,0,0,0,0|0,0,0]=1 1221 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [1,0,0,0,0,0|1,0,0]=2 1222 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [1,0,0,0,0,0|0,1,0]=2 1223 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [1,0,0,0,0,0|0,1,0]=2 1224 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [1,0,0,0,0,0|0,1,0]=2 1225 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [1,0,0,0,0,0|0,1,0]=2 1226 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [1,0,0,0,0,0|2,1,0]=4 1227 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [1,0,0,0,0,0|2,1,0]=4 1228 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [1,0,0,0,0,0|2,1,0]=4 1229 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [1,0,0,0,0,0|2,1,0]=4 1230 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,0,0,0,0,0|2,1,0]=4 1231 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,0,0,0,0,0|2,1,0]=4 1232 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [1,0,0,0,0,0|0,1,0]=2 1233 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [1,0,0,0,0,0|0,1,0]=2 1234 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [1,0,0,0,0,0|0,2,0]=3 1235 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [1,0,0,0,0,0|0,2,0]=3 1236 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,0,0,0,0,0|2,1,0]=4 1237 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,0,0,0,0,0|2,1,0]=4 1238 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [1,0,0,0,0,0|1,1,0]=3 1239 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [1,0,0,0,0,0|1,2,0]=4 1240 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [1,0,0,0,0,0|2,1,0]=4 1241 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [1,0,0,0,0,0|2,1,0]=4 1242 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [1,0,0,0,0,0|2,1,0]=4 1243 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,0,0,0,0,0|2,1,0]=4 1244 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,0,0,0,0,0|2,1,0]=4 1245 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,0,0,0,0,0|0,1,0]=2 1246 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,0,0,0,0,0|0,1,0]=2 1247 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,0,0,0,0,0|0,1,0]=2 1248 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,0,0,0,0,0|0,1,0]=2 1249 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [1,0,0,0,0,0|0,2,0]=3 1250 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [1,0,0,0,0,0|0,2,0]=3 1251 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|3,0,0]=4 1252 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,0,0,0,0,0|2,0,0]=3 1253 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,0,0,0,0,0|2,0,0]=3 1254 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,0,0,0,0,0|2,0,0]=3 1255 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|3,0,0]=4 1256 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|3,0,0]=4 1257 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|3,0,0]=4 1258 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,0,0,0,0,0|3,0,0]=4 1259 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,0,0,0,0,0|3,0,0]=4 1260 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,0,0,0,0,0|3,0,0]=4 1261 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,0,0,0,0,0|2,0,0]=3 1262 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,0,0,0,0,0|2,0,0]=3 1263 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,0,0,0,0,0|2,0,0]=3 1264 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,0,0,0,0,0|2,0,0]=3 1265 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [1,0,0,0,0,0|3,0,0]=4 1266 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,0,0,0,0,0|2,1,0]=4 1267 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,0,0,0,0,0|2,1,0]=4 1268 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,0,0,0,0,0|2,1,0]=4 1269 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,0,0,0,0,0|2,1,0]=4 1270 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,0,0,0,0,0|2,1,0]=4 1271 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,0,0,0,0,0|2,1,0]=4 1272 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,0,0,0,0,0|2,1,0]=4 1273 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,0,0,0,0,0|2,1,0]=4 1274 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [1,0,0,0,0,0|2,1,0]=4 1275 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [1,0,0,0,0,0|2,1,0]=4 1276 B10R0.71 CCOCSCOCCOC 62a_100000231047_100000739092 [1,0,0,0,0,0|2,1,0]=4 1277 B10R0.71 CCOCSCOCCOC 62a_100000739092_100000231047 [1,0,0,0,0,0|2,1,0]=4 1278 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|3,0,0]=4 1279 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|3,0,0]=4 1280 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,0,0,0,0,0|2,0,0]=3 1281 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,0,0,0,0,0|2,0,0]=3 1282 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,0,0,0,0,0|2,0,0]=3 1283 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,0,0,0,0,0|2,0,0]=3 1284 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,0,0,0,0,0|2,1,0]=4 1285 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,0,0,0,0,0|2,1,0]=4 1286 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|3,0,0]=4 1287 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|3,0,0]=4 1288 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|3,0,0]=4 1289 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|3,0,0]=4 1290 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|3,0,0]=4 1291 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,0,0,0,0,0|3,0,0]=4 1292 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,0,0,0,0,0|2,0,0]=3 1293 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,0,0,0,0,0|2,1,0]=4 1294 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,0,0,0,0,0|3,0,0]=4 1295 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [1,0,0,0,0,0|1,0,2]=4 1296 B10R0.71 CNCCOCCOCCF 34a_100000228057_100011217306 [1,0,0,0,0,0|2,0,0]=3 1297 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [1,0,0,0,0,0|1,0,0]=2 1298 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [1,0,0,0,0,0|1,0,0]=2 1299 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [1,0,0,0,0,0|1,0,0]=2 1300 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [1,0,0,0,0,0|1,0,0]=2 1301 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [1,0,0,0,0,0|1,0,0]=2 1302 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [1,0,0,0,0,0|1,0,0]=2 1303 B10R0.71 CNCCOCCOCSC 34a_100000228057_100011218213 [1,0,0,0,0,0|1,1,0]=3 1304 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|3,0,0]=4 1305 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|3,0,0]=4 1306 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|3,0,0]=4 1307 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|3,0,0]=4 1308 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|3,0,0]=4 1309 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|2,0,0]=3 1310 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 1311 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 1312 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,0,0,0,0,0|3,0,0]=4 1313 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|2,0,0]=3 1314 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|2,0,0]=3 1315 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [1,0,0,0,0,0|2,0,0]=3 1316 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [1,0,0,0,0,0|2,1,0]=4 1317 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [1,0,0,0,0,0|2,1,0]=4 1318 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,0,0,0,0,0|3,0,0]=4 1319 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,0,0,0,0,0|3,0,0]=4 1320 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [1,0,0,0,0,0|1,0,0]=2 1321 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [1,0,0,0,0,0|1,1,0]=3 1322 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,0,0,0,0,0|2,0,0]=3 1323 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,0,0,0,0,0|2,0,0]=3 1324 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,0,0,0,0,0|2,0,0]=3 1325 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,0,0,0,0,0|2,0,0]=3 1326 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,0,0,0,0,0|2,0,0]=3 1327 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,0]=3 1328 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,0,0,0,0,0|0,0,0]=1 1329 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,0,0,0,0,0|0,0,0]=1 1330 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [1,0,0,0,0,0|1,0,0]=2 1331 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,0,0,0,0,0|0,1,0]=2 1332 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,0,0,0,0,0|0,1,0]=2 1333 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,0,0,0,0,0|0,1,0]=2 1334 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [1,0,0,0,0,0|2,1,0]=4 1335 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [1,0,0,0,0,0|2,1,0]=4 1336 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,0,0,0,0,0|2,1,0]=4 1337 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,0,0,0,0,0|2,1,0]=4 1338 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|2,1,0]=4 1339 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|2,1,0]=4 1340 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [1,0,0,0,0,0|0,1,0]=2 1341 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [1,0,0,0,0,0|0,1,0]=2 1342 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [1,0,0,0,0,0|0,2,0]=3 1343 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [1,0,0,0,0,0|0,2,0]=3 1344 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|3,0,0]=4 1345 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|3,0,0]=4 1346 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|3,0,0]=4 1347 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [1,0,0,0,0,0|2,0,0]=3 1348 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [1,0,0,0,0,0|2,1,0]=4 1349 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|3,0,0]=4 1350 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [1,0,0,0,0,0|2,0,0]=3 1351 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [1,0,0,0,0,0|2,0,0]=3 1352 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [1,0,0,0,0,0|2,0,0]=3 1353 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [1,0,0,0,0,0|2,0,0]=3 1354 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [1,0,0,0,0,0|2,0,0]=3 1355 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [1,0,0,0,0,0|2,1,0]=4 1356 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [1,0,0,0,0,0|2,1,0]=4 1357 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|3,0,0]=4 1358 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|3,0,0]=4 1359 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [1,0,0,0,0,0|2,0,0]=3 1360 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [1,0,0,0,0,0|3,0,0]=4 1361 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|3,0,0]=4 1362 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,0,0,0,0,0|3,0,0]=4 1363 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|2,0,0]=3 1364 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|2,0,0]=3 1365 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,0]=3 1366 B10R0.71 COCCNCCOCC#N 2230a_100000209980_200000047693 [1,0,0,0,0,0|2,0,1]=4 1367 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [1,0,0,0,0,0|1,0,0]=2 1368 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [1,0,0,0,0,0|1,0,0]=2 1369 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [1,0,0,0,0,0|1,0,0]=2 1370 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [1,0,0,0,0,0|1,1,0]=3 1371 B10R0.71 COCCNCOCCOC 2230a_100000209980_100000231047 [1,0,0,0,0,0|1,0,0]=2 1372 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,0,0,0,0,0|2,0,0]=3 1373 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,0,0,0,0,0|2,0,0]=3 1374 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,0,0,0,0,0|2,0,0]=3 1375 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,0,0,0,0,0|2,0,0]=3 1376 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,0,0,0,0,0|2,0,0]=3 1377 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,0,0,0,0,0|2,0,0]=3 1378 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,0,0,0,0,0|2,0,0]=3 1379 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,0]=3 1380 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|1,0,0]=2 1381 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,0,0,0,0,0|0,1,0]=2 1382 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,0,0,0,0,0|0,1,0]=2 1383 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [1,0,0,0,0,0|3,0,0]=4 1384 B10R0.71 COCCOCCCSCF 62a_100011216529_100015361967 [1,0,0,0,0,0|3,0,0]=4 1385 B10R0.71 COCCOCCCSCF 62a_100015361967_100011216529 [1,0,0,0,0,0|3,0,0]=4 1386 B10R0.71 COCCOCCNCC#N 2230a_100000745349_100011215382 [1,0,0,0,0,0|2,0,1]=4 1387 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [1,0,0,0,0,0|1,0,2]=4 1388 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [1,0,0,0,0,0|1,0,2]=4 1389 B10R0.71 COCCOCCNCCF 2230a_100000745349_100011217306 [1,0,0,0,0,0|2,0,0]=3 1390 B10R0.71 COCCOCCNCCF 34a_100000724931_100000695917 [1,0,0,0,0,0|2,0,0]=3 1391 B10R0.71 COCCOCCNCCF 34a_100000745349_100011217306 [1,0,0,0,0,0|2,0,0]=3 1392 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [1,0,0,0,0,0|1,0,0]=2 1393 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [1,0,0,0,0,0|1,0,0]=2 1394 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [1,0,0,0,0,0|1,0,0]=2 1395 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [1,0,0,0,0,0|1,0,0]=2 1396 B10R0.71 COCCOCCNCOC 2230a_100000745349_100000766300 [1,0,0,0,0,0|1,0,0]=2 1397 B10R0.71 COCCOCCNCSC 2230a_100000745349_100011218213 [1,0,0,0,0,0|1,1,0]=3 1398 B10R0.71 COCCOCCNCSC 34a_100000745349_100011218213 [1,0,0,0,0,0|1,1,0]=3 1399 B10R0.71 COCCOCCOCC#N 7a_100011215163_100011215382 [1,0,0,0,0,0|1,0,1]=3 1400 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [1,0,0,0,0,0|0,0,2]=3 1401 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [1,0,0,0,0,0|0,0,2]=3 1402 B10R0.71 COCCOCCOCCBr 34a_100000211926_100000695917 [1,0,0,0,0,0|1,0,0]=2 1403 B10R0.71 COCCOCCOCCBr 34a_100000692535_100011201679 [1,0,0,0,0,0|1,0,0]=2 1404 B10R0.71 COCCOCCOCCBr 34a_100010132937_200000210301 [1,0,0,0,0,0|1,0,0]=2 1405 B10R0.71 COCCOCCOCCBr 7a_100000692535_100000233755 [1,0,0,0,0,0|1,0,0]=2 1406 B10R0.71 COCCOCCOCCBr 7a_100010132937_200000210301 [1,0,0,0,0,0|1,0,0]=2 1407 B10R0.71 COCCOCCOCCCl 34a_100000032323_200000210301 [1,0,0,0,0,0|1,0,0]=2 1408 B10R0.71 COCCOCCOCCCl 34a_100011215305_100011201679 [1,0,0,0,0,0|1,0,0]=2 1409 B10R0.71 COCCOCCOCCCl 7a_100000032323_200000210301 [1,0,0,0,0,0|1,0,0]=2 1410 B10R0.71 COCCOCCOCCCl 7a_100011215305_100000233755 [1,0,0,0,0,0|1,0,0]=2 1411 B10R0.71 COCCOCCOCCF 34a_100011215163_100011217306 [1,0,0,0,0,0|1,0,0]=2 1412 B10R0.71 COCCOCCOCCF 34a_200015357709_100011201679 [1,0,0,0,0,0|1,0,0]=2 1413 B10R0.71 COCCOCCOCCF 7a_100011215163_100011217306 [1,0,0,0,0,0|1,0,0]=2 1414 B10R0.71 COCCOCCOCCF 7a_200015357709_100000233755 [1,0,0,0,0,0|1,0,0]=2 1415 B10R0.71 COCCOCCOCCI 34a_100012149058_100011201679 [1,0,0,0,0,0|1,0,0]=2 1416 B10R0.71 COCCOCCOCCI 7a_100012149058_100000233755 [1,0,0,0,0,0|1,0,0]=2 1417 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [1,0,0,0,0,0|1,0,0]=2 1418 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [1,0,0,0,0,0|1,0,0]=2 1419 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [1,0,0,0,0,0|1,0,0]=2 1420 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [1,0,0,0,0,0|0,0,0]=1 1421 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [1,0,0,0,0,0|0,0,0]=1 1422 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [1,0,0,0,0,0|0,0,0]=1 1423 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [1,0,0,0,0,0|0,0,0]=1 1424 B10R0.71 COCCOCCOCSC 34a_100011215163_100011218213 [1,0,0,0,0,0|0,1,0]=2 1425 B10R0.71 COCCOCCSCC#N 62a_100000695917_100011215382 [1,0,0,0,0,0|1,1,1]=4 1426 B10R0.71 COCCOCCSCC#N 62a_100011215382_100000695917 [1,0,0,0,0,0|1,1,1]=4 1427 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [1,0,0,0,0,0|0,1,2]=4 1428 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [1,0,0,0,0,0|0,1,2]=4 1429 B10R0.71 COCCOCCSCCF 62a_100000695917_100011217306 [1,0,0,0,0,0|1,1,0]=3 1430 B10R0.71 COCCOCCSCCF 62a_100011217306_100000695917 [1,0,0,0,0,0|1,1,0]=3 1431 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [1,0,0,0,0,0|0,1,0]=2 1432 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [1,0,0,0,0,0|0,1,0]=2 1433 B10R0.71 COCCOCCSCOC 62a_100000695917_100000766300 [1,0,0,0,0,0|0,1,0]=2 1434 B10R0.71 COCCOCCSCOC 62a_100000766300_100000695917 [1,0,0,0,0,0|0,1,0]=2 1435 B10R0.71 COCCOCCSCSC 62a_100000695917_100011218213 [1,0,0,0,0,0|0,2,0]=3 1436 B10R0.71 COCCOCCSCSC 62a_100011218213_100000695917 [1,0,0,0,0,0|0,2,0]=3 1437 B10R0.71 COCCOCNCCCF 2230a_100015189416_100000231047 [1,0,0,0,0,0|3,0,0]=4 1438 B10R0.71 COCCOCNCCSC 2230a_100020590264_100000231047 [1,0,0,0,0,0|1,1,0]=3 1439 B10R0.71 COCCOCSCCC#N 62a_100000231047_100011215226 [1,0,0,0,0,0|2,1,0]=4 1440 B10R0.71 COCCOCSCCC#N 62a_100011215226_100000231047 [1,0,0,0,0,0|2,1,0]=4 1441 B10R0.71 COCCOCSCCCF 62a_100000231047_100011934791 [1,0,0,0,0,0|2,1,0]=4 1442 B10R0.71 COCCOCSCCCF 62a_100011934791_100000231047 [1,0,0,0,0,0|2,1,0]=4 1443 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [1,0,0,0,0,0|2,0,0]=3 1444 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [1,0,0,0,0,0|2,0,0]=3 1445 B10R0.71 COCCOCSCCOC 62a_100000231047_100000233755 [1,0,0,0,0,0|0,1,0]=2 1446 B10R0.71 COCCOCSCCOC 62a_100000233755_100000231047 [1,0,0,0,0,0|0,1,0]=2 1447 B10R0.71 COCCOCSCCSC 62a_100000212216_100000231047 [1,0,0,0,0,0|0,2,0]=3 1448 B10R0.71 COCCOCSCCSC 62a_100000231047_100000751147 [1,0,0,0,0,0|0,2,0]=3 1449 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [1,0,0,0,0,0|2,1,0]=4 1450 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [1,0,0,0,0,0|2,1,0]=4 1451 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|2,1,0]=4 1452 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|2,1,0]=4 1453 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,0,0,0,0,0|2,1,0]=4 1454 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,0,0,0,0,0|2,1,0]=4 1455 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|1,1,0]=3 1456 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|1,1,0]=3 1457 B10R0.71 COCCSCCOCC#N 62a_100000233755_200000047693 [1,0,0,0,0,0|1,1,1]=4 1458 B10R0.71 COCCSCCOCC#N 62a_200000047693_100000233755 [1,0,0,0,0,0|1,1,1]=4 1459 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [1,0,0,0,0,0|0,1,0]=2 1460 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [1,0,0,0,0,0|0,1,0]=2 1461 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|3,0,0]=4 1462 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|3,0,0]=4 1463 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|3,0,0]=4 1464 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|2,1,0]=4 1465 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|2,1,0]=4 1466 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [1,0,0,0,0,0|2,1,0]=4 1467 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,0,0,0,0,0|2,1,0]=4 1468 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,0,0,0,0,0|2,1,0]=4 1469 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|2,1,0]=4 1470 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|2,1,0]=4 1471 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [1,0,0,0,0,0|0,2,0]=3 1472 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [1,0,0,0,0,0|0,2,0]=3 1473 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,0,0,0,0,0|2,1,0]=4 1474 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,0,0,0,0,0|2,1,0]=4 1475 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,0,0,0,0,0|2,1,0]=4 1476 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [1,0,0,0,0,0|1,1,0]=3 1477 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [1,0,0,0,0,0|1,1,0]=3 1478 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [1,0,0,0,0,0|1,1,0]=3 1479 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [1,0,0,0,0,0|1,2,0]=4 1480 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [1,0,0,0,0,0|2,1,0]=4 1481 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|2,1,0]=4 1482 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,0,0,0,0,0|2,1,0]=4 1483 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,0,0,0,0,0|2,1,0]=4 1484 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,0,0,0,0,0|2,1,0]=4 1485 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,0,0,0,0,0|2,1,0]=4 1486 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,0,0,0,0,0|2,1,0]=4 1487 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,0,0,0,0,0|2,1,0]=4 1488 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,0,0,0,0,0|2,1,0]=4 1489 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,0,0,0,0,0|2,1,0]=4 1490 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,0,0,0,0,0|2,1,0]=4 1491 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|1,1,0]=3 1492 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|1,1,0]=3 1493 B10R0.71 CSCCOCCOCC#N 7a_100000230434_200000047693 [1,0,0,0,0,0|1,1,1]=4 1494 B10R0.71 CSCCOCCOCCBr 34a_100000692535_100000212216 [1,0,0,0,0,0|1,1,0]=3 1495 B10R0.71 CSCCOCCOCCBr 7a_100000692535_100000212216 [1,0,0,0,0,0|1,1,0]=3 1496 B10R0.71 CSCCOCCOCCCl 34a_100011215305_100000212216 [1,0,0,0,0,0|1,1,0]=3 1497 B10R0.71 CSCCOCCOCCCl 7a_100011215305_100000212216 [1,0,0,0,0,0|1,1,0]=3 1498 B10R0.71 CSCCOCCOCCF 34a_200015357709_100000212216 [1,0,0,0,0,0|1,1,0]=3 1499 B10R0.71 CSCCOCCOCCF 7a_200015357709_100000212216 [1,0,0,0,0,0|1,1,0]=3 1500 B10R0.71 CSCCOCCOCCI 34a_100012149058_100000212216 [1,0,0,0,0,0|1,1,0]=3 1501 B10R0.71 CSCCOCCOCCI 7a_100012149058_100000212216 [1,0,0,0,0,0|1,1,0]=3 1502 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [1,0,0,0,0,0|1,1,0]=3 1503 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [1,0,0,0,0,0|0,1,0]=2 1504 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [1,0,0,0,0,0|0,1,0]=2 1505 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [1,0,0,0,0,0|0,1,0]=2 1506 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [1,0,0,0,0,0|0,1,0]=2 1507 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,0,0,0,0,0|1,2,0]=4 1508 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,0,0,0,0,0|1,2,0]=4 1509 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [1,0,0,0,0,0|0,2,0]=3 1510 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [1,0,0,0,0,0|0,2,0]=3 1511 B10R0.71 FCCCOCCOCCBr 34a_100000692535_100011934791 [1,0,0,0,0,0|3,0,0]=4 1512 B10R0.71 FCCCOCCOCCBr 7a_100000692535_100011934791 [1,0,0,0,0,0|3,0,0]=4 1513 B10R0.71 FCCCOCCOCCCl 34a_100011215305_100011934791 [1,0,0,0,0,0|3,0,0]=4 1514 B10R0.71 FCCCOCCOCCCl 7a_100011215305_100011934791 [1,0,0,0,0,0|3,0,0]=4 1515 B10R0.71 FCCCOCCOCCF 34a_200015357709_100011934791 [1,0,0,0,0,0|3,0,0]=4 1516 B10R0.71 FCCCOCCOCCF 7a_200015357709_100011934791 [1,0,0,0,0,0|3,0,0]=4 1517 B10R0.71 FCCCOCCOCCI 34a_100012149058_100011934791 [1,0,0,0,0,0|3,0,0]=4 1518 B10R0.71 FCCCOCCOCCI 7a_100012149058_100011934791 [1,0,0,0,0,0|3,0,0]=4 1519 B10R0.71 N#CCCNCCOCCO 2230a_100000211614_100011215226 [1,0,0,0,0,0|3,0,0]=4 1520 B10R0.71 N#CCCOCCOCCBr 7a_100000692535_100000184422 [1,0,0,0,0,0|3,0,0]=4 1521 B10R0.71 N#CCCOCCOCCCl 7a_100011215305_100000184422 [1,0,0,0,0,0|3,0,0]=4 1522 B10R0.71 N#CCCOCCOCCF 7a_200015357709_100000184422 [1,0,0,0,0,0|3,0,0]=4 1523 B10R0.71 N#CCCOCCOCCI 7a_100012149058_100000184422 [1,0,0,0,0,0|3,0,0]=4 1524 B10R0.71 N#CCCSCCOCCO 62a_100011215226_100011215305 [1,0,0,0,0,0|2,1,0]=4 1525 B10R0.71 N#CCCSCCOCCO 62a_100011215305_100011215226 [1,0,0,0,0,0|2,1,0]=4 1526 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|3,0,0]=4 1527 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,0,0,0,0,0|3,0,0]=4 1528 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [1,0,0,0,0,0|2,0,0]=3 1529 B10R0.71 NCCOCCOCCCF 34a_100000211614_100011934791 [1,0,0,0,0,0|3,0,0]=4 1530 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 1531 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [1,0,0,0,0,0|3,0,0]=4 1532 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [1,0,0,0,0,0|2,0,0]=3 1533 B10R0.71 NOCCOCCOCCO 34a_100000700252_100000692535 [1,0,0,0,0,0|1,0,0]=2 1534 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,0,0,0,0,0|3,0,0]=4 1535 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,0,0,0,0,0|3,0,0]=4 1536 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,0,0,0,0,0|3,0,0]=4 1537 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 1538 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [1,0,0,0,0,0|3,0,0]=4 1539 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [1,0,0,0,0,0|3,0,0]=4 1540 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [1,0,0,0,0,0|3,0,0]=4 1541 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [1,0,0,0,0,0|3,0,0]=4 1542 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [1,0,0,0,0,0|3,0,0]=4 1543 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [1,0,0,0,0,0|3,0,0]=4 1544 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [1,0,0,0,0,0|3,0,0]=4 1545 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [1,0,0,0,0,0|3,0,0]=4 1546 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [1,0,0,0,0,0|3,0,0]=4 1547 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [1,0,0,0,0,0|2,1,0]=4 1548 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [1,0,0,0,0,0|2,1,0]=4 1549 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,0,0,0,0,0|3,0,0]=4 1550 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,0,0,0,0,0|3,0,0]=4 1551 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,0,0,0,0,0|3,0,0]=4 1552 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,0,0,0,0,0|3,0,0]=4 1553 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,0,0,0,0,0|3,0,0]=4 1554 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,0,0,0,0,0|3,0,0]=4 1555 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [1,0,0,0,0,0|3,0,0]=4 1556 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [1,0,0,0,0,0|3,0,0]=4 1557 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [1,0,0,0,0,0|3,0,0]=4 1558 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [1,0,0,0,0,0|3,0,0]=4 1559 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [1,0,0,0,0,0|2,0,0]=3 1560 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [1,0,0,0,0,0|2,0,0]=3 1561 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [1,0,0,0,0,0|2,0,0]=3 1562 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [1,0,0,0,0,0|2,1,0]=4 1563 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [1,0,0,0,0,0|2,1,0]=4 1564 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|3,0,0]=4 1565 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|3,0,0]=4 1566 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [1,0,0,0,0,0|1,0,0]=2 1567 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [1,0,0,0,0,0|1,0,0]=2 1568 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|3,0,0]=4 1569 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|3,0,0]=4 1570 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|3,0,0]=4 1571 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|3,0,0]=4 1572 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|3,0,0]=4 1573 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,0,0,0,0,0|3,0,0]=4 1574 B10R0.71 [13CH3]OCCOCCOCCBr 34a_100010132937_200025704644 [1,0,0,0,0,0|1,0,0]=2 1575 B10R0.71 [13CH3]OCCOCCOCCBr 7a_100010132937_200025704644 [1,0,0,0,0,0|1,0,0]=2 1576 B10R0.71 [13CH3]OCCOCCOCCCl 34a_100000032323_200025704644 [1,0,0,0,0,0|1,0,0]=2 1577 B10R0.71 [13CH3]OCCOCCOCCCl 7a_100000032323_200025704644 [1,0,0,0,0,0|1,0,0]=2 1578 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [1,0,0,0,0,0|1,0,0]=2 1579 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|2,1,0]=4 1580 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|2,1,0]=4 1581 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [1,0,0,0,0,0|0,1,0]=2 1582 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [1,0,0,0,0,0|0,1,0]=2 1583 B12R0.1 C#CCC(C)OCCOCCCC 34a_100000685586_100000743108 [0,1,0,0,0,0|2,0,1]=4 1584 B12R0.1 C#CCC(C)OCCOCCCC 7a_100000685586_100000743108 [0,1,0,0,0,0|2,0,1]=4 1585 B12R0.1 C#CCC(C)OCCOCCOC 34a_100000685586_100000695917 [0,1,0,0,0,0|1,0,1]=3 1586 B12R0.1 C#CCC(C)OCCOCCOC 7a_100000685586_100000695917 [0,1,0,0,0,0|1,0,1]=3 1587 B12R0.1 C#CCCCCCOC(C)COC 34a_100000766912_100000765312 [0,1,0,0,0,0|2,0,1]=4 1588 B12R0.1 C#CCCCCCOC(C)COC 7a_100000766912_100000765312 [0,1,0,0,0,0|2,0,1]=4 1589 B12R0.1 C#CCCCCCO[C@H](C)COC 34a_100011934205_100012094781 [0,1,0,0,0,0|2,0,1]=4 1590 B12R0.1 C/C=C/C(C)OCCOCCCC 34a_200102604097_100000743108 [0,1,0,0,0,0|2,0,1]=4 1591 B12R0.1 C/C=C/C(C)OCCOCCOC 34a_200102604097_100000695917 [0,1,0,0,0,0|1,0,1]=3 1592 B12R0.1 C=CCCCCCOC(C)COC 34a_100011216702_100000765312 [0,1,0,0,0,0|2,0,1]=4 1593 B12R0.1 C=CCCCCCOC(C)COC 7a_100011216702_100000765312 [0,1,0,0,0,0|2,0,1]=4 1594 B12R0.1 C=CCCCCCO[C@H](C)COC 34a_100011934205_100000700193 [0,1,0,0,0,0|2,0,1]=4 1595 B12R0.1 C=CC[C@@H](C)OCCOCCCC 34a_100000731007_100000743108 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.1 C=CC[C@@H](C)OCCOCCCC 7a_100000731007_100000743108 [0,1,0,0,0,0|2,0,1]=4 1597 B12R0.1 C=CC[C@@H](C)OCCOCCOC 34a_100000731007_100000695917 [0,1,0,0,0,0|1,0,1]=3 1598 B12R0.1 C=CC[C@@H](C)OCCOCCOC 7a_100000731007_100000695917 [0,1,0,0,0,0|1,0,1]=3 1599 B12R0.1 CC#CC(C)OCCOCCCC 34a_100011216543_100000743108 [0,1,0,0,0,0|2,0,1]=4 1600 B12R0.1 CC#CC(C)OCCOCCOC 34a_100011216543_100000695917 [0,1,0,0,0,0|1,0,1]=3 1601 B12R0.1 CCCC#CCCOC(C)COC 34a_100000042726_100000765312 [0,1,0,0,0,0|2,0,1]=4 1602 B12R0.1 CCCC#CCCOC(C)COC 7a_100000042726_100000765312 [0,1,0,0,0,0|2,0,1]=4 1603 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,1,0,0,0,0|2,0,1]=4 1604 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 1605 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 1606 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 1607 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,1,0,0,0,0|2,0,1]=4 1608 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [0,1,0,0,0,0|2,0,0]=3 1609 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [0,1,0,0,0,0|2,0,0]=3 1610 B12R0.1 CCCC(C)CCCOCCSC 34a_100011713154_100000212216 [0,1,0,0,0,0|2,1,0]=4 1611 B12R0.1 CCCC(C)CCCOCCSC 7a_100011713154_100000212216 [0,1,0,0,0,0|2,1,0]=4 1612 B12R0.1 CCCC(C)CSCOCCOC 62a_100000231047_100011216630 [0,1,0,0,0,0|3,0,0]=4 1613 B12R0.1 CCCC(C)CSCOCCOC 62a_100011216630_100000231047 [0,1,0,0,0,0|3,0,0]=4 1614 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [0,1,0,0,0,0|3,0,0]=4 1615 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [0,1,0,0,0,0|3,0,0]=4 1616 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [0,1,0,0,0,0|3,0,0]=4 1617 B12R0.1 CCCC(C)NCCOCCOC 2230a_100000741246_100000695917 [0,1,0,0,0,0|2,0,0]=3 1618 B12R0.1 CCCC(C)NCCOCCOC 2230a_100000745349_100000766640 [0,1,0,0,0,0|2,0,0]=3 1619 B12R0.1 CCCC(C)NCCOCCOC 270004a_100000745349_100000211909 [0,1,0,0,0,0|2,0,0]=3 1620 B12R0.1 CCCC(C)NCCOCCOC 34a_100000745349_100000766640 [0,1,0,0,0,0|2,0,0]=3 1621 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,1,0,0,0,0|3,0,0]=4 1622 B12R0.1 CCCC(C)OCCOCCNC 34a_100000228057_100000766640 [0,1,0,0,0,0|2,0,0]=3 1623 B12R0.1 CCCC(C)OCCOCCOC 34a_100000764384_100000695917 [0,1,0,0,0,0|1,0,0]=2 1624 B12R0.1 CCCC(C)OCCOCCOC 34a_100011215163_100000766640 [0,1,0,0,0,0|1,0,0]=2 1625 B12R0.1 CCCC(C)OCCOCCOC 7a_100000764384_100000695917 [0,1,0,0,0,0|1,0,0]=2 1626 B12R0.1 CCCC(C)OCCOCCOC 7a_100011215163_100000766640 [0,1,0,0,0,0|1,0,0]=2 1627 B12R0.1 CCCC(C)SCCOCCOC 62a_100000695917_100000766640 [0,1,0,0,0,0|1,1,0]=3 1628 B12R0.1 CCCC(C)SCCOCCOC 62a_100000766640_100000695917 [0,1,0,0,0,0|1,1,0]=3 1629 B12R0.1 CCCC/C=C/COC(C)COC 34a_200016272032_100000765312 [0,1,0,0,0,0|2,0,1]=4 1630 B12R0.1 CCCC/C=C/COC(C)COC 7a_200016272032_100000765312 [0,1,0,0,0,0|2,0,1]=4 1631 B12R0.1 CCCCC#CCOC(C)COC 34a_200000034558_100000765312 [0,1,0,0,0,0|2,0,1]=4 1632 B12R0.1 CCCCC#CCOC(C)COC 7a_200000034558_100000765312 [0,1,0,0,0,0|2,0,1]=4 1633 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,1,0,0,0,0|3,0,0]=4 1634 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,1,0,0,0,0|3,0,0]=4 1635 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,1,0,0,0,0|3,0,0]=4 1636 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,1,0,0,0,0|3,0,0]=4 1637 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,1,0,0,0,0|3,0,0]=4 1638 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,1,0,0,0,0|3,0,0]=4 1639 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,1,0,0,0,0|3,0,0]=4 1640 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,1,0,0,0,0|3,0,0]=4 1641 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,1,0,0,0,0|3,0,0]=4 1642 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,1,0,0,0,0|3,0,0]=4 1643 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,1,0,0,0,0|3,0,0]=4 1644 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,1,0,0,0,0|2,0,0]=3 1645 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,1,0,0,0,0|2,0,0]=3 1646 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,1,0,0,0,0|2,0,0]=3 1647 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,1,0,0,0,0|2,1,0]=4 1648 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,1,0,0,0,0|2,1,0]=4 1649 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,1,0,0,0,0|3,0,0]=4 1650 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,1,0,0,0,0|3,0,0]=4 1651 B12R0.1 CCCCOCCNC(C)CCC 2230a_100000741246_100000743108 [0,1,0,0,0,0|3,0,0]=4 1652 B12R0.1 CCCCOCCN[C@H](C)COC 2230a_100000764878_100000743108 [0,1,0,0,0,0|2,0,0]=3 1653 B12R0.1 CCCCOCCOC(C)CC#N 7a_100000210238_100009813641 [0,1,0,0,0,0|3,0,0]=4 1654 B12R0.1 CCCCOCCOC(C)CCBr 34a_100012276601_100000743108 [0,1,0,0,0,0|3,0,0]=4 1655 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,1,0,0,0,0|2,0,0]=3 1656 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,1,0,0,0,0|2,0,0]=3 1657 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,1,0,0,0,0|2,0,0]=3 1658 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,1,0,0,0,0|2,0,0]=3 1659 B12R0.1 CCCCOCCOC(C)CCO 34a_100000210238_100009893172 [0,1,0,0,0,0|3,0,0]=4 1660 B12R0.1 CCCCOCCOC(C)CCO 7a_100000210238_100009893172 [0,1,0,0,0,0|3,0,0]=4 1661 B12R0.1 CCCCOCCOC(C)COC 34a_100000210238_100000765312 [0,1,0,0,0,0|1,0,0]=2 1662 B12R0.1 CCCCOCCOC(C)COC 7a_100000210238_100000765312 [0,1,0,0,0,0|1,0,0]=2 1663 B12R0.1 CCCCOCCO[C@H](C)COC 34a_100011934205_100000743108 [0,1,0,0,0,0|1,0,0]=2 1664 B12R0.1 CCCCOCCSC(C)CCC 62a_100000743108_100000766640 [0,1,0,0,0,0|2,1,0]=4 1665 B12R0.1 CCCCOCCSC(C)CCC 62a_100000766640_100000743108 [0,1,0,0,0,0|2,1,0]=4 1666 B12R0.1 CCCCOCCSC(C)COC 62a_100000743108_100000765312 [0,1,0,0,0,0|1,1,0]=3 1667 B12R0.1 CCCCOCCSC(C)COC 62a_100000765312_100000743108 [0,1,0,0,0,0|1,1,0]=3 1668 B12R0.1 CCCCOCNCC(O)COC 2230a_100000756049_100011995733 [0,1,0,0,0,0|3,0,0]=4 1669 B12R0.1 CCCCOCNCC(O)COC 34a_100000756049_100011995733 [0,1,0,0,0,0|3,0,0]=4 1670 B12R0.1 CCCCOCOCC(N)COC 34a_100000724102_100011995733 [0,1,0,0,0,0|3,0,0]=4 1671 B12R0.1 CCCCOCSCC(O)COC 62a_100011215053_100011995733 [0,1,0,0,0,0|3,0,0]=4 1672 B12R0.1 CCCCOCSCC(O)COC 62a_100011995733_100011215053 [0,1,0,0,0,0|3,0,0]=4 1673 B12R0.1 CCCCSCCNC(C)COC 2230a_100025743550_100000765312 [0,1,0,0,0,0|2,1,0]=4 1674 B12R0.1 CCCCSCCNC(C)COC 270004a_100025743550_100000749346 [0,1,0,0,0,0|2,1,0]=4 1675 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,1,0,0,0,0|2,1,0]=4 1676 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,1,0,0,0,0|2,1,0]=4 1677 B12R0.1 CCCCSCCOC(C)COC 34a_200000230436_100000765312 [0,1,0,0,0,0|1,1,0]=3 1678 B12R0.1 CCCCSCCOC(C)COC 7a_200000230436_100000765312 [0,1,0,0,0,0|1,1,0]=3 1679 B12R0.1 CCCN(C)CCCOCCOC 2230a_100000747261_100011216529 [0,1,0,0,0,0|3,0,0]=4 1680 B12R0.1 CCCN(C)CCCOCCOC 269982a_100000747261_100011216529 [0,1,0,0,0,0|3,0,0]=4 1681 B12R0.1 CNCCCCCOC(C)COC 34a_100000722520_100000765312 [0,1,0,0,0,0|2,0,0]=3 1682 B12R0.1 CNCCOCCOC(C)CCO 34a_100000228057_100009893172 [0,1,0,0,0,0|3,0,0]=4 1683 B12R0.1 CNCCOCCOC(C)COC 34a_100000228057_100000765312 [0,1,0,0,0,0|1,0,0]=2 1684 B12R0.1 COCC(C)OCCCCCCBr 34a_100011215345_100000765312 [0,1,0,0,0,0|3,0,0]=4 1685 B12R0.1 COCC(C)OCCCCCCBr 7a_100011215345_100000765312 [0,1,0,0,0,0|3,0,0]=4 1686 B12R0.1 COCC(C)OCCCCCCCl 34a_100000766143_100000765312 [0,1,0,0,0,0|3,0,0]=4 1687 B12R0.1 COCC(C)OCCCCCCCl 7a_100000766143_100000765312 [0,1,0,0,0,0|3,0,0]=4 1688 B12R0.1 COCC(C)OCCCCCCF 34a_100000732779_100000765312 [0,1,0,0,0,0|3,0,0]=4 1689 B12R0.1 COCC(C)OCCCCCCF 7a_100000732779_100000765312 [0,1,0,0,0,0|3,0,0]=4 1690 B12R0.1 COCC(C)OCCCCCCN 34a_100000686447_100000765312 [0,1,0,0,0,0|3,0,0]=4 1691 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,1,0,0,0,0|2,0,1]=4 1692 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1693 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1694 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1695 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1696 B12R0.1 COCCCCCNC(C)COC 2230a_100000747528_100000765312 [0,1,0,0,0,0|2,0,0]=3 1697 B12R0.1 COCCCCCNC(C)COC 270004a_100000747528_100000749346 [0,1,0,0,0,0|2,0,0]=3 1698 B12R0.1 COCCCCCNC(C)COC 34a_100000747528_100000765312 [0,1,0,0,0,0|2,0,0]=3 1699 B12R0.1 COCCCCCNC(C)CSC 270004a_100000747528_100011216314 [0,1,0,0,0,0|2,1,0]=4 1700 B12R0.1 COCCCCNCC(O)COC 2230a_100000756049_100000730899 [0,1,0,0,0,0|3,0,0]=4 1701 B12R0.1 COCCCCNCC(O)COC 34a_100000756049_100000755781 [0,1,0,0,0,0|3,0,0]=4 1702 B12R0.1 COCCCCOCC(N)COC 34a_100000724102_100000755781 [0,1,0,0,0,0|3,0,0]=4 1703 B12R0.1 COCCCCOCC(O)COC 34a_100000740925_100011215053 [0,1,0,0,0,0|3,0,0]=4 1704 B12R0.1 COCCCCSCC(O)COC 62a_100000730899_100011215053 [0,1,0,0,0,0|3,0,0]=4 1705 B12R0.1 COCCCCSCC(O)COC 62a_100011215053_100000730899 [0,1,0,0,0,0|3,0,0]=4 1706 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,1,0,0,0,0|1,0,1]=3 1707 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,1,0,0,0,0|1,1,1]=4 1708 B12R0.1 COCCOCCNC(=O)COC 11a_100000745349_100000210968 [0,1,0,0,0,0|1,0,1]=3 1709 B12R0.1 COCCOCCNC(=O)COC 1626a_100000745349_100000210968 [0,1,0,0,0,0|1,0,1]=3 1710 B12R0.1 COCCOCCNC(=O)COC 240690a_100000745349_100000210968 [0,1,0,0,0,0|1,0,1]=3 1711 B12R0.1 COCCOCCNC(=O)COC 527a_100000745349_100000210968 [0,1,0,0,0,0|1,0,1]=3 1712 B12R0.1 COCCOCCNC(=O)CSC 11a_100000745349_100000184570 [0,1,0,0,0,0|1,1,1]=4 1713 B12R0.1 COCCOCCNC(=O)CSC 1626a_100000745349_100000184570 [0,1,0,0,0,0|1,1,1]=4 1714 B12R0.1 COCCOCCNC(=O)CSC 240690a_100000745349_100000184570 [0,1,0,0,0,0|1,1,1]=4 1715 B12R0.1 COCCOCCNC(=O)CSC 527a_100000745349_100000184570 [0,1,0,0,0,0|1,1,1]=4 1716 B12R0.1 COCCOCCNC(C)CC#N 2230a_100000745349_100009813641 [0,1,0,0,0,0|3,0,0]=4 1717 B12R0.1 COCCOCCNC(C)CCO 2230a_100000745349_100009893172 [0,1,0,0,0,0|3,0,0]=4 1718 B12R0.1 COCCOCCNC(C)CCO 34a_100000745349_100009893172 [0,1,0,0,0,0|3,0,0]=4 1719 B12R0.1 COCCOCCNC(C)COC 2230a_100000745349_100000765312 [0,1,0,0,0,0|1,0,0]=2 1720 B12R0.1 COCCOCCNC(C)COC 270004a_100000745349_100000749346 [0,1,0,0,0,0|1,0,0]=2 1721 B12R0.1 COCCOCCNC(C)COC 34a_100000745349_100000765312 [0,1,0,0,0,0|1,0,0]=2 1722 B12R0.1 COCCOCCNC(C)CSC 270004a_100000745349_100011216314 [0,1,0,0,0,0|1,1,0]=3 1723 B12R0.1 COCCOCCN[C@@H](C)CC#N 2230a_100016994482_100000695917 [0,1,0,0,0,0|3,0,0]=4 1724 B12R0.1 COCCOCCN[C@H](C)CCO 2230a_100000706166_100000695917 [0,1,0,0,0,0|3,0,0]=4 1725 B12R0.1 COCCOCCN[C@H](C)CCO 34a_100000706166_100000695917 [0,1,0,0,0,0|3,0,0]=4 1726 B12R0.1 COCCOCCN[C@H](C)COC 2230a_100000764878_100000695917 [0,1,0,0,0,0|1,0,0]=2 1727 B12R0.1 COCCOCCOC(C)CC#N 7a_100011215163_100009813641 [0,1,0,0,0,0|2,0,0]=3 1728 B12R0.1 COCCOCCOC(C)CCBr 34a_100012276601_100000695917 [0,1,0,0,0,0|2,0,0]=3 1729 B12R0.1 COCCOCCOC(C)CCO 34a_100011215163_100009893172 [0,1,0,0,0,0|2,0,0]=3 1730 B12R0.1 COCCOCCOC(C)CCO 7a_100011215163_100009893172 [0,1,0,0,0,0|2,0,0]=3 1731 B12R0.1 COCCOCCOC(C)COC 34a_100011215163_100000765312 [0,1,0,0,0,0|0,0,0]=1 1732 B12R0.1 COCCOCCOC(C)COC 7a_100011215163_100000765312 [0,1,0,0,0,0|0,0,0]=1 1733 B12R0.1 COCCOCCO[C@H](C)COC 34a_100011934205_100000695917 [0,1,0,0,0,0|0,0,0]=1 1734 B12R0.1 COCCOCCSC(C)CC#N 62a_100000695917_100009813641 [0,1,0,0,0,0|2,1,0]=4 1735 B12R0.1 COCCOCCSC(C)CC#N 62a_100009813641_100000695917 [0,1,0,0,0,0|2,1,0]=4 1736 B12R0.1 COCCOCCSC(C)CCO 62a_100000695917_100009893172 [0,1,0,0,0,0|2,1,0]=4 1737 B12R0.1 COCCOCCSC(C)CCO 62a_100009893172_100000695917 [0,1,0,0,0,0|2,1,0]=4 1738 B12R0.1 COCCOCCSC(C)COC 62a_100000695917_100000765312 [0,1,0,0,0,0|0,1,0]=2 1739 B12R0.1 COCCOCCSC(C)COC 62a_100000765312_100000695917 [0,1,0,0,0,0|0,1,0]=2 1740 B12R0.1 COCCOCNCC(O)COC 2230a_100000756049_100000231047 [0,1,0,0,0,0|2,0,0]=3 1741 B12R0.1 COCCOCSCC(O)COC 62a_100000231047_100011215053 [0,1,0,0,0,0|2,0,0]=3 1742 B12R0.1 COCCOCSCC(O)COC 62a_100011215053_100000231047 [0,1,0,0,0,0|2,0,0]=3 1743 B12R0.1 COC[C@@H](C)OCCCCCCF 34a_100011934205_100015922095 [0,1,0,0,0,0|3,0,0]=4 1744 B12R0.1 COC[C@@H](C)OCCCCCCO 34a_100011934205_100000766143 [0,1,0,0,0,0|3,0,0]=4 1745 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,1,0,0,0,0|2,0,1]=4 1746 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,1,0,0,0,0|2,0,1]=4 1747 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,1,0,0,0,0|2,0,1]=4 1748 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,1,0,0,0,0|2,0,1]=4 1749 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,1,0,0,0,0|2,0,1]=4 1750 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,1,0,0,0,0|2,0,1]=4 1751 B12R0.5 C#CCCCCCOCCOCC 34a_100000210136_100012094781 [0,1,0,0,0,0|2,0,1]=4 1752 B12R0.5 C#CCCCCCOCCOCC 34a_100000766912_100000210147 [0,1,0,0,0,0|2,0,1]=4 1753 B12R0.5 C#CCCCCCOCCOCC 7a_100000210136_100012094781 [0,1,0,0,0,0|2,0,1]=4 1754 B12R0.5 C#CCCCCCOCCOCC 7a_100000766912_100011215890 [0,1,0,0,0,0|2,0,1]=4 1755 B12R0.5 C#CCCCCNCOCCOC 2230a_100000706060_100000231047 [0,1,0,0,0,0|2,0,1]=4 1756 B12R0.5 C#CCCCCSCOCCOC 62a_100000231047_100010269958 [0,1,0,0,0,0|2,0,1]=4 1757 B12R0.5 C#CCCCCSCOCCOC 62a_100010269958_100000231047 [0,1,0,0,0,0|2,0,1]=4 1758 B12R0.5 C#CCCCNCCOCCOC 2230a_100000745349_100000731252 [0,1,0,0,0,0|2,0,1]=4 1759 B12R0.5 C#CCCCNCCOCCOC 34a_100000718082_100000695917 [0,1,0,0,0,0|2,0,1]=4 1760 B12R0.5 C#CCCCNCCOCCOC 34a_100000745349_100000695029 [0,1,0,0,0,0|2,0,1]=4 1761 B12R0.5 C#CCCCOCCOCCCC 34a_100000210238_100000695029 [0,1,0,0,0,0|2,0,1]=4 1762 B12R0.5 C#CCCCOCCOCCCC 34a_100000215630_100000743108 [0,1,0,0,0,0|2,0,1]=4 1763 B12R0.5 C#CCCCOCCOCCCC 7a_100000210238_100011215417 [0,1,0,0,0,0|2,0,1]=4 1764 B12R0.5 C#CCCCOCCOCCCC 7a_100000215630_100000743108 [0,1,0,0,0,0|2,0,1]=4 1765 B12R0.5 C#CCCCOCCOCCNC 34a_100000228057_100000695029 [0,1,0,0,0,0|2,0,1]=4 1766 B12R0.5 C#CCCCOCCOCCOC 34a_100000215630_100000695917 [0,1,0,0,0,0|1,0,1]=3 1767 B12R0.5 C#CCCCOCCOCCOC 34a_100011215163_100000695029 [0,1,0,0,0,0|1,0,1]=3 1768 B12R0.5 C#CCCCOCCOCCOC 7a_100000215630_100000695917 [0,1,0,0,0,0|1,0,1]=3 1769 B12R0.5 C#CCCCOCCOCCOC 7a_100011215163_100011215417 [0,1,0,0,0,0|1,0,1]=3 1770 B12R0.5 C#CCCCSCCOCCOC 62a_100000695917_100011215417 [0,1,0,0,0,0|1,1,1]=4 1771 B12R0.5 C#CCCCSCCOCCOC 62a_100011215417_100000695917 [0,1,0,0,0,0|1,1,1]=4 1772 B12R0.5 C#CCCNCCCOCCOC 2230a_100000206027_100000688953 [0,1,0,0,0,0|2,0,1]=4 1773 B12R0.5 C#CCCNCCCOCCOC 34a_100000206027_100000688953 [0,1,0,0,0,0|2,0,1]=4 1774 B12R0.5 C#CCCNCCCOCCOC 34a_100000755551_100011216529 [0,1,0,0,0,0|2,0,1]=4 1775 B12R0.5 C#CCCNCCOCCOCC 2230a_100102712874_100000688953 [0,1,0,0,0,0|2,0,1]=4 1776 B12R0.5 C#CCCNCCOCCOCC 34a_100000755551_100011211534 [0,1,0,0,0,0|2,0,1]=4 1777 B12R0.5 C#CCCNCCOCCOCC 34a_100102712874_100000688953 [0,1,0,0,0,0|2,0,1]=4 1778 B12R0.5 C#CCCOCCCCCCOC 34a_100011215631_100011998445 [0,1,0,0,0,0|2,0,1]=4 1779 B12R0.5 C#CCCOCCCCCCOC 34a_200012092642_100000688953 [0,1,0,0,0,0|2,0,1]=4 1780 B12R0.5 C#CCCOCCCCCCOC 7a_200012092642_100000688953 [0,1,0,0,0,0|2,0,1]=4 1781 B12R0.5 C#CCCOCCCOCCCC 34a_200011215613_100000688953 [0,1,0,0,0,0|2,0,1]=4 1782 B12R0.5 C#CCCOCCCOCCCC 7a_200011215613_100000688953 [0,1,0,0,0,0|2,0,1]=4 1783 B12R0.5 C#CCCOCCCOCCOC 34a_100011215631_100011216529 [0,1,0,0,0,0|1,0,1]=3 1784 B12R0.5 C#CCCOCCOCCCCC 34a_100011215259_100000688953 [0,1,0,0,0,0|2,0,1]=4 1785 B12R0.5 C#CCCOCCOCCCCC 7a_100011215259_100000688953 [0,1,0,0,0,0|2,0,1]=4 1786 B12R0.5 C#CCCOCCOCCOC=C 34a_100000039918_100000688953 [0,1,0,0,0,0|1,0,2]=4 1787 B12R0.5 C#CCCOCCOCCOC=C 7a_100000039918_100000688953 [0,1,0,0,0,0|1,0,2]=4 1788 B12R0.5 C#CCCOCCOCCOCC 34a_100000210240_100000688953 [0,1,0,0,0,0|1,0,1]=3 1789 B12R0.5 C#CCCOCCOCCOCC 34a_100011215631_100011211534 [0,1,0,0,0,0|1,0,1]=3 1790 B12R0.5 C#CCCOCCOCCOCC 7a_100000210240_100000688953 [0,1,0,0,0,0|1,0,1]=3 1791 B12R0.5 C#CCCSCCCOCCOC 62a_100000688953_100011216529 [0,1,0,0,0,0|1,1,1]=4 1792 B12R0.5 C#CCCSCCCOCCOC 62a_100011216529_100000688953 [0,1,0,0,0,0|1,1,1]=4 1793 B12R0.5 C#CCCSCCOCCOCC 62a_100000688953_100011211534 [0,1,0,0,0,0|1,1,1]=4 1794 B12R0.5 C#CCCSCCOCCOCC 62a_100011211534_100000688953 [0,1,0,0,0,0|1,1,1]=4 1795 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,1,0,0,0,0|3,0,0]=4 1796 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [0,1,0,0,0,0|2,0,0]=3 1797 B12R0.5 C/C=C/CCOCCOCCOC 34a_100016278192_100000695917 [0,1,0,0,0,0|1,0,0]=2 1798 B12R0.5 C/C=C/CNCCCOCCOC 34a_100000206027_100102629194 [0,1,0,0,0,0|2,0,1]=4 1799 B12R0.5 C/C=C/CNCCOCCOCC 34a_100102712874_100102629194 [0,1,0,0,0,0|2,0,1]=4 1800 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,1,0,0,0,0|2,0,1]=4 1801 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,1,0,0,0,0|2,0,1]=4 1802 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,1,0,0,0,0|2,0,1]=4 1803 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [0,1,0,0,0,0|2,0,1]=4 1804 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [0,1,0,0,0,0|2,0,1]=4 1805 B12R0.5 C/C=C/COCCCOCCOC 34a_100016270725_100011216529 [0,1,0,0,0,0|1,0,1]=3 1806 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [0,1,0,0,0,0|2,0,1]=4 1807 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [0,1,0,0,0,0|2,0,1]=4 1808 B12R0.5 C/C=C/COCCOCCOCC 34a_100000210240_100102629194 [0,1,0,0,0,0|1,0,1]=3 1809 B12R0.5 C/C=C/COCCOCCOCC 34a_100016270725_100011211534 [0,1,0,0,0,0|1,0,1]=3 1810 B12R0.5 C/C=C/COCCOCCOCC 7a_100000210240_100102629194 [0,1,0,0,0,0|1,0,1]=3 1811 B12R0.5 C/C=C/CSCCCOCCOC 62a_100011216529_100102629194 [0,1,0,0,0,0|1,1,1]=4 1812 B12R0.5 C/C=C/CSCCCOCCOC 62a_100102629194_100011216529 [0,1,0,0,0,0|1,1,1]=4 1813 B12R0.5 C/C=C/CSCCOCCOCC 62a_100011211534_100102629194 [0,1,0,0,0,0|1,1,1]=4 1814 B12R0.5 C/C=C/CSCCOCCOCC 62a_100102629194_100011211534 [0,1,0,0,0,0|1,1,1]=4 1815 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,1,0,0,0,0|2,0,1]=4 1816 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,1,0,0,0,0|2,0,1]=4 1817 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,1,0,0,0,0|2,0,1]=4 1818 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,1,0,0,0,0|2,0,1]=4 1819 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,1,0,0,0,0|2,0,1]=4 1820 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,1,0,0,0,0|2,0,1]=4 1821 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,1,0,0,0,0|2,0,1]=4 1822 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,1,0,0,0,0|2,0,1]=4 1823 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,1,0,0,0,0|2,0,1]=4 1824 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,1,0,0,0,0|2,0,1]=4 1825 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [0,1,0,0,0,0|2,0,1]=4 1826 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [0,1,0,0,0,0|2,0,1]=4 1827 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [0,1,0,0,0,0|2,0,1]=4 1828 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [0,1,0,0,0,0|2,0,1]=4 1829 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [0,1,0,0,0,0|2,0,1]=4 1830 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [0,1,0,0,0,0|2,0,1]=4 1831 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [0,1,0,0,0,0|2,0,1]=4 1832 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,1,0,0,0,0|2,0,1]=4 1833 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,1,0,0,0,0|2,0,1]=4 1834 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,1,0,0,0,0|2,0,1]=4 1835 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,1,0,0,0,0|2,0,1]=4 1836 B12R0.5 C=CCCCOCCOCCNC 34a_100000228057_100000757094 [0,1,0,0,0,0|2,0,1]=4 1837 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [0,1,0,0,0,0|1,0,1]=3 1838 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [0,1,0,0,0,0|1,0,1]=3 1839 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [0,1,0,0,0,0|1,0,1]=3 1840 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [0,1,0,0,0,0|1,0,1]=3 1841 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [0,1,0,0,0,0|1,1,1]=4 1842 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [0,1,0,0,0,0|1,1,1]=4 1843 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [0,1,0,0,0,0|2,0,1]=4 1844 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [0,1,0,0,0,0|2,0,1]=4 1845 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [0,1,0,0,0,0|2,0,1]=4 1846 B12R0.5 C=CCCNCCOCCOCC 2230a_100015191253_100011211534 [0,1,0,0,0,0|2,0,1]=4 1847 B12R0.5 C=CCCNCCOCCOCC 2230a_100102712874_100000754431 [0,1,0,0,0,0|2,0,1]=4 1848 B12R0.5 C=CCCNCCOCCOCC 34a_100102712874_100000754431 [0,1,0,0,0,0|2,0,1]=4 1849 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,1,0,0,0,0|2,0,1]=4 1850 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,1,0,0,0,0|2,0,1]=4 1851 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,1,0,0,0,0|2,0,1]=4 1852 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,1,0,0,0,0|2,0,1]=4 1853 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,1,0,0,0,0|2,0,1]=4 1854 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [0,1,0,0,0,0|1,0,1]=3 1855 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,1,0,0,0,0|2,0,1]=4 1856 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,1,0,0,0,0|2,0,1]=4 1857 B12R0.5 C=CCCOCCOCCOC=C 34a_100000039918_100000754431 [0,1,0,0,0,0|1,0,2]=4 1858 B12R0.5 C=CCCOCCOCCOC=C 7a_100000039918_100000754431 [0,1,0,0,0,0|1,0,2]=4 1859 B12R0.5 C=CCCOCCOCCOCC 34a_100000210240_100000754431 [0,1,0,0,0,0|1,0,1]=3 1860 B12R0.5 C=CCCOCCOCCOCC 34a_100011205117_100011211534 [0,1,0,0,0,0|1,0,1]=3 1861 B12R0.5 C=CCCOCCOCCOCC 7a_100000210240_100000754431 [0,1,0,0,0,0|1,0,1]=3 1862 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [0,1,0,0,0,0|1,1,1]=4 1863 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [0,1,0,0,0,0|1,1,1]=4 1864 B12R0.5 C=CCCSCCOCCOCC 62a_100000754431_100011211534 [0,1,0,0,0,0|1,1,1]=4 1865 B12R0.5 C=CCCSCCOCCOCC 62a_100011211534_100000754431 [0,1,0,0,0,0|1,1,1]=4 1866 B12R0.5 C=COCCCNCOCCOC 2230a_100000210767_100000231047 [0,1,0,0,0,0|2,0,1]=4 1867 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,1,0,0,0,0|2,0,1]=4 1868 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,1,0,0,0,0|2,0,1]=4 1869 B12R0.5 C=COCCNCCOCCOC 2230a_100000745349_100000039644 [0,1,0,0,0,0|1,0,1]=3 1870 B12R0.5 C=COCCNCCOCCOC 34a_100000745349_100000039644 [0,1,0,0,0,0|1,0,1]=3 1871 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,1,0,0,0,0|2,0,1]=4 1872 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,1,0,0,0,0|2,0,1]=4 1873 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,1,0,0,0,0|2,0,1]=4 1874 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,1,0,0,0,0|2,0,1]=4 1875 B12R0.5 C=COCCOCCOC/C=C/C 34a_100000039918_100102629194 [0,1,0,0,0,0|1,0,2]=4 1876 B12R0.5 C=COCCOCCOC/C=C/C 7a_100000039918_100102629194 [0,1,0,0,0,0|1,0,2]=4 1877 B12R0.5 C=COCCOCCOCC#CC 34a_100000039918_100000748600 [0,1,0,0,0,0|1,0,2]=4 1878 B12R0.5 C=COCCOCCOCC#CC 7a_100000039918_100000748600 [0,1,0,0,0,0|1,0,2]=4 1879 B12R0.5 C=COCCOCCOCC=CC 34a_100000039918_100000070051 [0,1,0,0,0,0|1,0,2]=4 1880 B12R0.5 C=COCCOCCOCC=CC 7a_100000039918_100000070051 [0,1,0,0,0,0|1,0,2]=4 1881 B12R0.5 C=COCCOCCOCCC#N 7a_100000039918_100000184422 [0,1,0,0,0,0|2,0,1]=4 1882 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,1,0,0,0,0|1,0,1]=3 1883 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,1,0,0,0,0|1,0,1]=3 1884 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,1,0,0,0,0|1,0,1]=3 1885 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,1,0,0,0,0|1,0,1]=3 1886 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,1,0,0,0,0|1,0,1]=3 1887 B12R0.5 C=COCCOCCOCCCF 34a_100000039918_100011934791 [0,1,0,0,0,0|2,0,1]=4 1888 B12R0.5 C=COCCOCCOCCCF 7a_100000039918_100011934791 [0,1,0,0,0,0|2,0,1]=4 1889 B12R0.5 C=COCCOCCOCCCO 34a_100000039918_100000230001 [0,1,0,0,0,0|2,0,1]=4 1890 B12R0.5 C=COCCOCCOCCCO 7a_100000039918_100011215043 [0,1,0,0,0,0|2,0,1]=4 1891 B12R0.5 C=COCCOCCOCCNC 34a_100000228057_100000039644 [0,1,0,0,0,0|1,0,1]=3 1892 B12R0.5 C=COCCOCCOCCOC 34a_100000033082_100000695917 [0,1,0,0,0,0|0,0,1]=2 1893 B12R0.5 C=COCCOCCOCCOC 34a_100000039918_100011201679 [0,1,0,0,0,0|0,0,1]=2 1894 B12R0.5 C=COCCOCCOCCOC 34a_100011215163_100000039644 [0,1,0,0,0,0|0,0,1]=2 1895 B12R0.5 C=COCCOCCOCCOC 7a_100000039918_100000233755 [0,1,0,0,0,0|0,0,1]=2 1896 B12R0.5 C=COCCOCCOCCOC 7a_100011215163_100000039644 [0,1,0,0,0,0|0,0,1]=2 1897 B12R0.5 C=COCCOCCOCCSC 34a_100000039918_100000212216 [0,1,0,0,0,0|0,1,1]=3 1898 B12R0.5 C=COCCOCCOCCSC 7a_100000039918_100000212216 [0,1,0,0,0,0|0,1,1]=3 1899 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [0,1,0,0,0,0|1,1,1]=4 1900 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [0,1,0,0,0,0|1,1,1]=4 1901 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,1,0,0,0,0|1,1,1]=4 1902 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,1,0,0,0,0|1,1,1]=4 1903 B12R0.5 C=COCCSCCOCCOC 62a_100000039644_100000695917 [0,1,0,0,0,0|0,1,1]=3 1904 B12R0.5 C=COCCSCCOCCOC 62a_100000695917_100000039644 [0,1,0,0,0,0|0,1,1]=3 1905 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,1,0,0,0,0|3,0,0]=4 1906 B12R0.5 CC#CCCOCCOCCCC 34a_100000750427_100000743108 [0,1,0,0,0,0|2,0,0]=3 1907 B12R0.5 CC#CCCOCCOCCOC 34a_100000750427_100000695917 [0,1,0,0,0,0|1,0,0]=2 1908 B12R0.5 CC#CCNCCCOCCOC 2230a_100000206027_100000748600 [0,1,0,0,0,0|2,0,1]=4 1909 B12R0.5 CC#CCNCCCOCCOC 2230a_100000685387_100011216529 [0,1,0,0,0,0|2,0,1]=4 1910 B12R0.5 CC#CCNCCCOCCOC 34a_100000206027_100000748600 [0,1,0,0,0,0|2,0,1]=4 1911 B12R0.5 CC#CCNCCCOCCOC 34a_100000685387_100011216529 [0,1,0,0,0,0|2,0,1]=4 1912 B12R0.5 CC#CCNCCOCCOCC 2230a_100000685387_100011211534 [0,1,0,0,0,0|2,0,1]=4 1913 B12R0.5 CC#CCNCCOCCOCC 2230a_100102712874_100000748600 [0,1,0,0,0,0|2,0,1]=4 1914 B12R0.5 CC#CCNCCOCCOCC 34a_100000685387_100011211534 [0,1,0,0,0,0|2,0,1]=4 1915 B12R0.5 CC#CCNCCOCCOCC 34a_100102712874_100000748600 [0,1,0,0,0,0|2,0,1]=4 1916 B12R0.5 CC#CCOCCCCCCOC 34a_100000761923_100011998445 [0,1,0,0,0,0|2,0,1]=4 1917 B12R0.5 CC#CCOCCCCCCOC 34a_200012092642_100000748600 [0,1,0,0,0,0|2,0,1]=4 1918 B12R0.5 CC#CCOCCCCCCOC 7a_200012092642_100000748600 [0,1,0,0,0,0|2,0,1]=4 1919 B12R0.5 CC#CCOCCCOCCCC 34a_200011215613_100000748600 [0,1,0,0,0,0|2,0,1]=4 1920 B12R0.5 CC#CCOCCCOCCCC 7a_200011215613_100000748600 [0,1,0,0,0,0|2,0,1]=4 1921 B12R0.5 CC#CCOCCCOCCOC 34a_100000761923_100011216529 [0,1,0,0,0,0|1,0,1]=3 1922 B12R0.5 CC#CCOCCOCCCCC 34a_100011215259_100000748600 [0,1,0,0,0,0|2,0,1]=4 1923 B12R0.5 CC#CCOCCOCCCCC 7a_100011215259_100000748600 [0,1,0,0,0,0|2,0,1]=4 1924 B12R0.5 CC#CCOCCOCCOCC 34a_100000210240_100000748600 [0,1,0,0,0,0|1,0,1]=3 1925 B12R0.5 CC#CCOCCOCCOCC 34a_100000761923_100011211534 [0,1,0,0,0,0|1,0,1]=3 1926 B12R0.5 CC#CCOCCOCCOCC 7a_100000210240_100000748600 [0,1,0,0,0,0|1,0,1]=3 1927 B12R0.5 CC#CCSCCCOCCOC 62a_100000748600_100011216529 [0,1,0,0,0,0|1,1,1]=4 1928 B12R0.5 CC#CCSCCCOCCOC 62a_100011216529_100000748600 [0,1,0,0,0,0|1,1,1]=4 1929 B12R0.5 CC#CCSCCOCCOCC 62a_100000748600_100011211534 [0,1,0,0,0,0|1,1,1]=4 1930 B12R0.5 CC#CCSCCOCCOCC 62a_100011211534_100000748600 [0,1,0,0,0,0|1,1,1]=4 1931 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [0,1,0,0,0,0|2,0,1]=4 1932 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [0,1,0,0,0,0|2,0,1]=4 1933 B12R0.5 CC/C=C\CNCCOCCOC 2230a_100000745349_100103147603 [0,1,0,0,0,0|2,0,1]=4 1934 B12R0.5 CC/C=C\CNCCOCCOC 34a_100000745349_100103147603 [0,1,0,0,0,0|2,0,1]=4 1935 B12R0.5 CC/C=C\COCCOCCCC 34a_100000210238_100103147603 [0,1,0,0,0,0|2,0,1]=4 1936 B12R0.5 CC/C=C\COCCOCCCC 34a_100016268518_100000743108 [0,1,0,0,0,0|2,0,1]=4 1937 B12R0.5 CC/C=C\COCCOCCCC 7a_100000210238_100103147603 [0,1,0,0,0,0|2,0,1]=4 1938 B12R0.5 CC/C=C\COCCOCCNC 34a_100000228057_100103147603 [0,1,0,0,0,0|2,0,1]=4 1939 B12R0.5 CC/C=C\COCCOCCOC 34a_100011215163_100103147603 [0,1,0,0,0,0|1,0,1]=3 1940 B12R0.5 CC/C=C\COCCOCCOC 34a_100016268518_100000695917 [0,1,0,0,0,0|1,0,1]=3 1941 B12R0.5 CC/C=C\COCCOCCOC 7a_100011215163_100103147603 [0,1,0,0,0,0|1,0,1]=3 1942 B12R0.5 CC/C=C\CSCCOCCOC 62a_100000695917_100103147603 [0,1,0,0,0,0|1,1,1]=4 1943 B12R0.5 CC/C=C\CSCCOCCOC 62a_100103147603_100000695917 [0,1,0,0,0,0|1,1,1]=4 1944 B12R0.5 CC=CCNCCCOCCOC 2230a_100000206027_100000070051 [0,1,0,0,0,0|2,0,1]=4 1945 B12R0.5 CC=CCNCCCOCCOC 34a_100000206027_100000070051 [0,1,0,0,0,0|2,0,1]=4 1946 B12R0.5 CC=CCNCCOCCOCC 2230a_100102712874_100000070051 [0,1,0,0,0,0|2,0,1]=4 1947 B12R0.5 CC=CCNCCOCCOCC 34a_100102712874_100000070051 [0,1,0,0,0,0|2,0,1]=4 1948 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,1,0,0,0,0|2,0,1]=4 1949 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,1,0,0,0,0|2,0,1]=4 1950 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [0,1,0,0,0,0|2,0,1]=4 1951 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [0,1,0,0,0,0|2,0,1]=4 1952 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [0,1,0,0,0,0|2,0,1]=4 1953 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [0,1,0,0,0,0|2,0,1]=4 1954 B12R0.5 CC=CCOCCOCCOCC 34a_100000210240_100000070051 [0,1,0,0,0,0|1,0,1]=3 1955 B12R0.5 CC=CCOCCOCCOCC 7a_100000210240_100000070051 [0,1,0,0,0,0|1,0,1]=3 1956 B12R0.5 CC=CCSCCCOCCOC 62a_100000070051_100011216529 [0,1,0,0,0,0|1,1,1]=4 1957 B12R0.5 CC=CCSCCCOCCOC 62a_100011216529_100000070051 [0,1,0,0,0,0|1,1,1]=4 1958 B12R0.5 CC=CCSCCOCCOCC 62a_100000070051_100011211534 [0,1,0,0,0,0|1,1,1]=4 1959 B12R0.5 CC=CCSCCOCCOCC 62a_100011211534_100000070051 [0,1,0,0,0,0|1,1,1]=4 1960 B12R0.5 CCC#CCNCCOCCOC 2230a_100000745349_100009813939 [0,1,0,0,0,0|2,0,1]=4 1961 B12R0.5 CCC#CCNCCOCCOC 34a_100000745349_100009813939 [0,1,0,0,0,0|2,0,1]=4 1962 B12R0.5 CCC#CCOCCOCCCC 34a_100000032950_100000743108 [0,1,0,0,0,0|2,0,1]=4 1963 B12R0.5 CCC#CCOCCOCCCC 34a_100000210238_100009813939 [0,1,0,0,0,0|2,0,1]=4 1964 B12R0.5 CCC#CCOCCOCCCC 7a_100000210238_100009813939 [0,1,0,0,0,0|2,0,1]=4 1965 B12R0.5 CCC#CCOCCOCCNC 34a_100000228057_100009813939 [0,1,0,0,0,0|2,0,1]=4 1966 B12R0.5 CCC#CCOCCOCCOC 34a_100000032950_100000695917 [0,1,0,0,0,0|1,0,1]=3 1967 B12R0.5 CCC#CCOCCOCCOC 34a_100011215163_100009813939 [0,1,0,0,0,0|1,0,1]=3 1968 B12R0.5 CCC#CCOCCOCCOC 7a_100011215163_100009813939 [0,1,0,0,0,0|1,0,1]=3 1969 B12R0.5 CCC#CCSCCOCCOC 62a_100000695917_100009813939 [0,1,0,0,0,0|1,1,1]=4 1970 B12R0.5 CCC#CCSCCOCCOC 62a_100009813939_100000695917 [0,1,0,0,0,0|1,1,1]=4 1971 B12R0.5 CCCC#CCCOCCCOC 34a_100000042726_100000740836 [0,1,0,0,0,0|2,0,1]=4 1972 B12R0.5 CCCC#CCCOCCCOC 7a_100000042726_100000740836 [0,1,0,0,0,0|2,0,1]=4 1973 B12R0.5 CCCC#CCCOCCOCC 34a_100000042726_100000210147 [0,1,0,0,0,0|2,0,1]=4 1974 B12R0.5 CCCC#CCCOCCOCC 7a_100000042726_100011215890 [0,1,0,0,0,0|2,0,1]=4 1975 B12R0.5 CCCC/C=C/COCCCOC 34a_200016272032_100000740836 [0,1,0,0,0,0|2,0,1]=4 1976 B12R0.5 CCCC/C=C/COCCCOC 7a_200016272032_100000740836 [0,1,0,0,0,0|2,0,1]=4 1977 B12R0.5 CCCC/C=C/COCCOCC 34a_200016272032_100000210147 [0,1,0,0,0,0|2,0,1]=4 1978 B12R0.5 CCCC/C=C/COCCOCC 7a_200016272032_100011215890 [0,1,0,0,0,0|2,0,1]=4 1979 B12R0.5 CCCC/C=C\CCOCCCC 34a_200016286491_100000210210 [0,1,0,0,0,0|3,0,0]=4 1980 B12R0.5 CCCC/C=C\CCOCCCC 7a_200016286491_100000210211 [0,1,0,0,0,0|3,0,0]=4 1981 B12R0.5 CCCC/C=C\CCOCCOC 34a_200016286491_100011201679 [0,1,0,0,0,0|2,0,0]=3 1982 B12R0.5 CCCC/C=C\CCOCCOC 7a_200016286491_100000233755 [0,1,0,0,0,0|2,0,0]=3 1983 B12R0.5 CCCC/C=C\CCOCCSC 34a_200016286491_100000212216 [0,1,0,0,0,0|2,1,0]=4 1984 B12R0.5 CCCC/C=C\CCOCCSC 7a_200016286491_100000212216 [0,1,0,0,0,0|2,1,0]=4 1985 B12R0.5 CCCCC#CCCOCCCC 34a_100000037610_100000210210 [0,1,0,0,0,0|3,0,0]=4 1986 B12R0.5 CCCCC#CCCOCCCC 7a_100000037610_100000210211 [0,1,0,0,0,0|3,0,0]=4 1987 B12R0.5 CCCCC#CCCOCCOC 34a_100000037610_100011201679 [0,1,0,0,0,0|2,0,0]=3 1988 B12R0.5 CCCCC#CCCOCCOC 7a_100000037610_100000233755 [0,1,0,0,0,0|2,0,0]=3 1989 B12R0.5 CCCCC#CCCOCCSC 34a_100000037610_100000212216 [0,1,0,0,0,0|2,1,0]=4 1990 B12R0.5 CCCCC#CCCOCCSC 7a_100000037610_100000212216 [0,1,0,0,0,0|2,1,0]=4 1991 B12R0.5 CCCCC#CCOCCCOC 34a_200000034558_100000740836 [0,1,0,0,0,0|2,0,1]=4 1992 B12R0.5 CCCCC#CCOCCCOC 7a_200000034558_100000740836 [0,1,0,0,0,0|2,0,1]=4 1993 B12R0.5 CCCCC#CCOCCOCC 34a_200000034558_100000210147 [0,1,0,0,0,0|2,0,1]=4 1994 B12R0.5 CCCCC#CCOCCOCC 7a_200000034558_100011215890 [0,1,0,0,0,0|2,0,1]=4 1995 B12R0.5 CCCCC/C=C/COCCOC 34a_100016258190_100011201679 [0,1,0,0,0,0|2,0,1]=4 1996 B12R0.5 CCCCC/C=C/COCCOC 7a_100016258190_100000233755 [0,1,0,0,0,0|2,0,1]=4 1997 B12R0.5 CCCCCC#CCOCCOC 34a_100000210237_100009816472 [0,1,0,0,0,0|2,0,1]=4 1998 B12R0.5 CCCCCC#CCOCCOC 34a_200000033628_100011201679 [0,1,0,0,0,0|2,0,1]=4 1999 B12R0.5 CCCCCC#CCOCCOC 7a_200000033628_100000233755 [0,1,0,0,0,0|2,0,1]=4 2000 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,1,0,0,0,0|3,0,0]=4 2001 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,1,0,0,0,0|3,0,0]=4 2002 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,1,0,0,0,0|3,0,0]=4 2003 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,1,0,0,0,0|3,0,0]=4 2004 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,1,0,0,0,0|3,0,0]=4 2005 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,1,0,0,0,0|3,0,0]=4 2006 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,1,0,0,0,0|3,0,0]=4 2007 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,1,0,0,0,0|3,0,0]=4 2008 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,1,0,0,0,0|3,0,0]=4 2009 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,1,0,0,0,0|3,0,0]=4 2010 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,1,0,0,0,0|3,0,0]=4 2011 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,1,0,0,0,0|3,0,0]=4 2012 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,1,0,0,0,0|3,0,0]=4 2013 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,1,0,0,0,0|3,0,0]=4 2014 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,1,0,0,0,0|3,0,0]=4 2015 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,1,0,0,0,0|3,0,0]=4 2016 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,1,0,0,0,0|3,0,0]=4 2017 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,1,0,0,0,0|3,0,0]=4 2018 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,1,0,0,0,0|3,0,0]=4 2019 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,1,0,0,0,0|2,0,0]=3 2020 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,1,0,0,0,0|2,0,0]=3 2021 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,1,0,0,0,0|2,0,0]=3 2022 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,1,0,0,0,0|3,0,0]=4 2023 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,1,0,0,0,0|2,1,0]=4 2024 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,1,0,0,0,0|2,1,0]=4 2025 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,1,0,0,0,0|2,1,0]=4 2026 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,1,0,0,0,0|2,1,0]=4 2027 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,1,0,0,0,0|2,1,0]=4 2028 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,1,0,0,0,0|2,1,0]=4 2029 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,1,0,0,0,0|3,0,0]=4 2030 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,1,0,0,0,0|3,0,0]=4 2031 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,1,0,0,0,0|3,0,0]=4 2032 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,1,0,0,0,0|3,0,0]=4 2033 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,1,0,0,0,0|3,0,0]=4 2034 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,1,0,0,0,0|3,0,0]=4 2035 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,1,0,0,0,0|3,0,0]=4 2036 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,1,0,0,0,0|3,0,0]=4 2037 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,1,0,0,0,0|3,0,0]=4 2038 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,1,0,0,0,0|3,0,0]=4 2039 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,1,0,0,0,0|3,0,0]=4 2040 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,1,0,0,0,0|3,0,0]=4 2041 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,1,0,0,0,0|3,0,0]=4 2042 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,1,0,0,0,0|3,0,0]=4 2043 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,1,0,0,0,0|3,0,0]=4 2044 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,1,0,0,0,0|3,0,0]=4 2045 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,1,0,0,0,0|3,0,0]=4 2046 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,1,0,0,0,0|3,0,0]=4 2047 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,1,0,0,0,0|3,0,0]=4 2048 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,1,0,0,0,0|3,0,0]=4 2049 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,1,0,0,0,0|3,0,0]=4 2050 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,1,0,0,0,0|2,0,0]=3 2051 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,1,0,0,0,0|2,0,0]=3 2052 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,1,0,0,0,0|2,0,0]=3 2053 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,1,0,0,0,0|2,1,0]=4 2054 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,1,0,0,0,0|2,1,0]=4 2055 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,1,0,0,0,0|2,0,0]=3 2056 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,1,0,0,0,0|2,0,0]=3 2057 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,1,0,0,0,0|2,0,0]=3 2058 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,1,0,0,0,0|2,0,0]=3 2059 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,1,0,0,0,0|2,1,0]=4 2060 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,1,0,0,0,0|2,1,0]=4 2061 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,1,0,0,0,0|2,1,0]=4 2062 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,1,0,0,0,0|2,1,0]=4 2063 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,1,0,0,0,0|2,1,0]=4 2064 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,1,0,0,0,0|2,1,0]=4 2065 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,1,0,0,0,0|2,1,0]=4 2066 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,1,0,0,0,0|2,1,0]=4 2067 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,1,0,0,0,0|3,0,0]=4 2068 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [0,1,0,0,0,0|3,0,0]=4 2069 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,1,0,0,0,0|2,0,0]=3 2070 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,1,0,0,0,0|3,0,0]=4 2071 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,1,0,0,0,0|3,0,0]=4 2072 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,1,0,0,0,0|3,0,0]=4 2073 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [0,1,0,0,0,0|3,0,0]=4 2074 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,1,0,0,0,0|3,0,0]=4 2075 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,1,0,0,0,0|3,0,0]=4 2076 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [0,1,0,0,0,0|3,0,0]=4 2077 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [0,1,0,0,0,0|3,0,0]=4 2078 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,1,0,0,0,0|2,0,0]=3 2079 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,1,0,0,0,0|2,0,0]=3 2080 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,1,0,0,0,0|3,0,0]=4 2081 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,1,0,0,0,0|3,0,0]=4 2082 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [0,1,0,0,0,0|3,0,0]=4 2083 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [0,1,0,0,0,0|3,0,0]=4 2084 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,1,0,0,0,0|2,0,0]=3 2085 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,1,0,0,0,0|2,0,0]=3 2086 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,1,0,0,0,0|2,0,0]=3 2087 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,1,0,0,0,0|2,0,0]=3 2088 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [0,1,0,0,0,0|2,1,0]=4 2089 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,1,0,0,0,0|3,0,0]=4 2090 B12R0.5 CCCCCOCCOCCC#N 7a_100011215259_100000184422 [0,1,0,0,0,0|3,0,0]=4 2091 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [0,1,0,0,0,0|2,0,0]=3 2092 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [0,1,0,0,0,0|2,0,0]=3 2093 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [0,1,0,0,0,0|2,0,0]=3 2094 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [0,1,0,0,0,0|2,0,0]=3 2095 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [0,1,0,0,0,0|2,0,0]=3 2096 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [0,1,0,0,0,0|2,0,0]=3 2097 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [0,1,0,0,0,0|3,0,0]=4 2098 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [0,1,0,0,0,0|3,0,0]=4 2099 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,1,0,0,0,0|3,0,0]=4 2100 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,1,0,0,0,0|3,0,0]=4 2101 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [0,1,0,0,0,0|2,0,0]=3 2102 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,1,0,0,0,0|1,0,0]=2 2103 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,1,0,0,0,0|1,0,0]=2 2104 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,1,0,0,0,0|1,0,0]=2 2105 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,1,0,0,0,0|1,0,0]=2 2106 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,1,0,0,0,0|1,0,0]=2 2107 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,1,0,0,0,0|1,0,0]=2 2108 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [0,1,0,0,0,0|1,1,0]=3 2109 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [0,1,0,0,0,0|1,1,0]=3 2110 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [0,1,0,0,0,0|2,1,0]=4 2111 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [0,1,0,0,0,0|2,1,0]=4 2112 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [0,1,0,0,0,0|2,1,0]=4 2113 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [0,1,0,0,0,0|2,1,0]=4 2114 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,1,0,0,0,0|1,1,0]=3 2115 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,1,0,0,0,0|1,1,0]=3 2116 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,1,0,0,0,0|3,0,0]=4 2117 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,1,0,0,0,0|3,0,0]=4 2118 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [0,1,0,0,0,0|3,0,0]=4 2119 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [0,1,0,0,0,0|3,0,0]=4 2120 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,1,0,0,0,0|2,0,0]=3 2121 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,1,0,0,0,0|2,0,0]=3 2122 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,1,0,0,0,0|2,0,0]=3 2123 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,1,0,0,0,0|2,0,0]=3 2124 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [0,1,0,0,0,0|2,0,0]=3 2125 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [0,1,0,0,0,0|2,0,0]=3 2126 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [0,1,0,0,0,0|2,0,0]=3 2127 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [0,1,0,0,0,0|2,0,0]=3 2128 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,1,0,0,0,0|3,0,0]=4 2129 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,1,0,0,0,0|3,0,0]=4 2130 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,1,0,0,0,0|3,0,0]=4 2131 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,1,0,0,0,0|3,0,0]=4 2132 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,1,0,0,0,0|3,0,0]=4 2133 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,1,0,0,0,0|2,0,0]=3 2134 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,1,0,0,0,0|2,0,0]=3 2135 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,1,0,0,0,0|2,0,0]=3 2136 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,1,0,0,0,0|2,0,0]=3 2137 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,1,0,0,0,0|3,0,0]=4 2138 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,1,0,0,0,0|3,0,0]=4 2139 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [0,1,0,0,0,0|2,1,0]=4 2140 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,1,0,0,0,0|2,0,0]=3 2141 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,1,0,0,0,0|2,0,0]=3 2142 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [0,1,0,0,0,0|2,1,0]=4 2143 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [0,1,0,0,0,0|2,1,0]=4 2144 B12R0.5 CCCCOCCCOCCC#N 7a_200011215613_100000184422 [0,1,0,0,0,0|3,0,0]=4 2145 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [0,1,0,0,0,0|2,0,0]=3 2146 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [0,1,0,0,0,0|2,0,0]=3 2147 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [0,1,0,0,0,0|3,0,0]=4 2148 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [0,1,0,0,0,0|3,0,0]=4 2149 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [0,1,0,0,0,0|3,0,0]=4 2150 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,1,0,0,0,0|3,0,0]=4 2151 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,1,0,0,0,0|3,0,0]=4 2152 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,1,0,0,0,0|1,0,0]=2 2153 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,1,0,0,0,0|1,0,0]=2 2154 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,1,0,0,0,0|1,0,0]=2 2155 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,1,0,0,0,0|1,0,0]=2 2156 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [0,1,0,0,0,0|1,1,0]=3 2157 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [0,1,0,0,0,0|1,1,0]=3 2158 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,1,0,0,0,0|3,0,0]=4 2159 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,1,0,0,0,0|3,0,0]=4 2160 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [0,1,0,0,0,0|2,0,0]=3 2161 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [0,1,0,0,0,0|2,1,0]=4 2162 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [0,1,0,0,0,0|2,0,0]=3 2163 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [0,1,0,0,0,0|2,0,0]=3 2164 B12R0.5 CCCCOCCNCCSCC 2230a_100000106463_100000743108 [0,1,0,0,0,0|2,1,0]=4 2165 B12R0.5 CCCCOCCOCC#CCCl 34a_200000047223_100000743108 [0,1,0,0,0,0|2,0,1]=4 2166 B12R0.5 CCCCOCCOCC#CCO 34a_100000210238_200000047223 [0,1,0,0,0,0|2,0,1]=4 2167 B12R0.5 CCCCOCCOCC#CCO 7a_100000210238_200000047223 [0,1,0,0,0,0|2,0,1]=4 2168 B12R0.5 CCCCOCCOCCCC#N 7a_100000210238_100000687738 [0,1,0,0,0,0|2,0,1]=4 2169 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,1,0,0,0,0|2,0,1]=4 2170 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [0,1,0,0,0,0|2,0,0]=3 2171 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [0,1,0,0,0,0|2,0,0]=3 2172 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [0,1,0,0,0,0|2,0,0]=3 2173 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [0,1,0,0,0,0|2,0,0]=3 2174 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [0,1,0,0,0,0|2,0,0]=3 2175 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [0,1,0,0,0,0|2,0,0]=3 2176 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [0,1,0,0,0,0|2,0,0]=3 2177 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [0,1,0,0,0,0|2,0,0]=3 2178 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [0,1,0,0,0,0|2,0,0]=3 2179 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,1,0,0,0,0|2,0,0]=3 2180 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,1,0,0,0,0|2,0,0]=3 2181 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [0,1,0,0,0,0|2,0,0]=3 2182 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [0,1,0,0,0,0|1,0,0]=2 2183 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [0,1,0,0,0,0|1,0,0]=2 2184 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [0,1,0,0,0,0|1,0,0]=2 2185 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [0,1,0,0,0,0|1,1,0]=3 2186 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [0,1,0,0,0,0|1,1,0]=3 2187 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [0,1,0,0,0,0|1,0,0]=2 2188 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [0,1,0,0,0,0|1,0,0]=2 2189 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [0,1,0,0,0,0|1,0,0]=2 2190 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [0,1,0,0,0,0|1,0,0]=2 2191 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [0,1,0,0,0,0|1,0,0]=2 2192 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [0,1,0,0,0,0|1,0,0]=2 2193 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [0,1,0,0,0,0|1,0,0]=2 2194 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [0,1,0,0,0,0|1,0,0]=2 2195 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [0,1,0,0,0,0|1,0,0]=2 2196 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [0,1,0,0,0,0|1,0,0]=2 2197 B12R0.5 CCCCOCCOCCOCF 34a_100011215186_100015361967 [0,1,0,0,0,0|1,0,0]=2 2198 B12R0.5 CCCCOCCOCCOCF 7a_100011215186_100015361967 [0,1,0,0,0,0|1,0,0]=2 2199 B12R0.5 CCCCOCCOCCSCC 34a_100000210238_100000757381 [0,1,0,0,0,0|1,1,0]=3 2200 B12R0.5 CCCCOCCOCCSCC 34a_100000212035_100000743108 [0,1,0,0,0,0|1,1,0]=3 2201 B12R0.5 CCCCOCCOCCSCC 7a_100000210238_100000757381 [0,1,0,0,0,0|1,1,0]=3 2202 B12R0.5 CCCCOCCOCCSCC 7a_100000212035_100000743108 [0,1,0,0,0,0|1,1,0]=3 2203 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [0,1,0,0,0,0|2,1,0]=4 2204 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [0,1,0,0,0,0|2,1,0]=4 2205 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,1,0,0,0,0|2,1,0]=4 2206 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,1,0,0,0,0|2,1,0]=4 2207 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [0,1,0,0,0,0|1,1,0]=3 2208 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [0,1,0,0,0,0|1,1,0]=3 2209 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [0,1,0,0,0,0|1,1,0]=3 2210 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [0,1,0,0,0,0|1,1,0]=3 2211 B12R0.5 CCCCOCCSCCSCC 62a_100000743108_100000757381 [0,1,0,0,0,0|1,2,0]=4 2212 B12R0.5 CCCCOCCSCCSCC 62a_100000757381_100000743108 [0,1,0,0,0,0|1,2,0]=4 2213 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [0,1,0,0,0,0|3,0,0]=4 2214 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [0,1,0,0,0,0|3,0,0]=4 2215 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [0,1,0,0,0,0|2,0,0]=3 2216 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [0,1,0,0,0,0|2,1,0]=4 2217 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [0,1,0,0,0,0|3,0,0]=4 2218 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [0,1,0,0,0,0|2,0,0]=3 2219 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [0,1,0,0,0,0|2,0,0]=3 2220 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [0,1,0,0,0,0|3,0,0]=4 2221 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [0,1,0,0,0,0|3,0,0]=4 2222 B12R0.5 CCCCOCSCOCCCC 62a_100011995733_100011995733 [0,1,0,0,0,0|2,0,0]=3 2223 B12R0.5 CCCCOCSCOCCOC 62a_100000231047_100011995733 [0,1,0,0,0,0|1,0,0]=2 2224 B12R0.5 CCCCOCSCOCCOC 62a_100011995733_100000231047 [0,1,0,0,0,0|1,0,0]=2 2225 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,1,0,0,0,0|2,1,0]=4 2226 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,1,0,0,0,0|2,1,0]=4 2227 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,1,0,0,0,0|1,1,0]=3 2228 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,1,0,0,0,0|1,1,0]=3 2229 B12R0.5 CCCCSCCNCCCOC 2230a_100025743550_100000740836 [0,1,0,0,0,0|2,1,0]=4 2230 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [0,1,0,0,0,0|2,1,0]=4 2231 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [0,1,0,0,0,0|2,1,0]=4 2232 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [0,1,0,0,0,0|2,1,0]=4 2233 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,1,0,0,0,0|2,1,0]=4 2234 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,1,0,0,0,0|2,1,0]=4 2235 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [0,1,0,0,0,0|1,1,0]=3 2236 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [0,1,0,0,0,0|1,1,0]=3 2237 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [0,1,0,0,0,0|1,1,0]=3 2238 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [0,1,0,0,0,0|1,1,0]=3 2239 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [0,1,0,0,0,0|1,1,0]=3 2240 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [0,1,0,0,0,0|1,1,0]=3 2241 B12R0.5 CCCCSCCOCCSCC 34a_200000230436_100000757381 [0,1,0,0,0,0|1,2,0]=4 2242 B12R0.5 CCCCSCCOCCSCC 7a_200000230436_100000757381 [0,1,0,0,0,0|1,2,0]=4 2243 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [0,1,0,0,0,0|3,0,0]=4 2244 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [0,1,0,0,0,0|3,0,0]=4 2245 B12R0.5 CCCOCCNCOCCOC 2230a_100161115042_100000231047 [0,1,0,0,0,0|3,0,0]=4 2246 B12R0.5 CCCOCCSCOCCOC 62a_100000231047_100011215938 [0,1,0,0,0,0|3,0,0]=4 2247 B12R0.5 CCCOCCSCOCCOC 62a_100011215938_100000231047 [0,1,0,0,0,0|3,0,0]=4 2248 B12R0.5 CCCSCCNCOCCOC 2230a_100020603323_100000231047 [0,1,0,0,0,0|3,0,0]=4 2249 B12R0.5 CCNCCOCCOCCOC 2230a_100012028300_100000210202 [0,1,0,0,0,0|1,0,0]=2 2250 B12R0.5 CCNCCOCCOCCOC 2230a_100015525214_100013367474 [0,1,0,0,0,0|1,0,0]=2 2251 B12R0.5 CCNCCOCCOCCOC 34a_100012028300_100000210202 [0,1,0,0,0,0|1,0,0]=2 2252 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,1,0,0,0,0|3,0,0]=4 2253 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,1,0,0,0,0|3,0,0]=4 2254 B12R0.5 CCOCCCNCOCCOC 2230a_100000210961_100000231047 [0,1,0,0,0,0|2,0,0]=3 2255 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,1,0,0,0,0|3,0,0]=4 2256 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,1,0,0,0,0|3,0,0]=4 2257 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,1,0,0,0,0|3,0,0]=4 2258 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,1,0,0,0,0|3,0,0]=4 2259 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,1,0,0,0,0|3,0,0]=4 2260 B12R0.5 CCOCCCSCOCCOC 62a_100000231047_100012232248 [0,1,0,0,0,0|2,0,0]=3 2261 B12R0.5 CCOCCCSCOCCOC 62a_100012232248_100000231047 [0,1,0,0,0,0|2,0,0]=3 2262 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,1,0,0,0,0|2,0,0]=3 2263 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,1,0,0,0,0|2,0,0]=3 2264 B12R0.5 CCOCCNCCOCCOC 2230a_100000745349_100011215890 [0,1,0,0,0,0|1,0,0]=2 2265 B12R0.5 CCOCCNCCOCCOC 2230a_102516460346_100000695917 [0,1,0,0,0,0|1,0,0]=2 2266 B12R0.5 CCOCCNCCOCCOC 34a_100000745349_100000210147 [0,1,0,0,0,0|1,0,0]=2 2267 B12R0.5 CCOCCNCCOCCOC 34a_102516460346_100000695917 [0,1,0,0,0,0|1,0,0]=2 2268 B12R0.5 CCOCCOCCCCCC#N 7a_100000210136_100009813376 [0,1,0,0,0,0|3,0,0]=4 2269 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,1,0,0,0,0|3,0,0]=4 2270 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,1,0,0,0,0|3,0,0]=4 2271 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,1,0,0,0,0|3,0,0]=4 2272 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,1,0,0,0,0|3,0,0]=4 2273 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,1,0,0,0,0|3,0,0]=4 2274 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,1,0,0,0,0|3,0,0]=4 2275 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,1,0,0,0,0|3,0,0]=4 2276 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,1,0,0,0,0|3,0,0]=4 2277 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,1,0,0,0,0|3,0,0]=4 2278 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,1,0,0,0,0|3,0,0]=4 2279 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,1,0,0,0,0|3,0,0]=4 2280 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,1,0,0,0,0|3,0,0]=4 2281 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,1,0,0,0,0|2,0,0]=3 2282 B12R0.5 CCOCCOCCNCCC#N 2230a_100102712874_100011215226 [0,1,0,0,0,0|3,0,0]=4 2283 B12R0.5 CCOCCOCCNCCCF 2230a_100015189416_100011211534 [0,1,0,0,0,0|3,0,0]=4 2284 B12R0.5 CCOCCOCCNCCCF 2230a_100102712874_100011934791 [0,1,0,0,0,0|3,0,0]=4 2285 B12R0.5 CCOCCOCCNCCCF 34a_100015189416_100011211534 [0,1,0,0,0,0|3,0,0]=4 2286 B12R0.5 CCOCCOCCNCCCF 34a_100102712874_100011934791 [0,1,0,0,0,0|3,0,0]=4 2287 B12R0.5 CCOCCOCCNCCCO 2230a_100102712874_100000230001 [0,1,0,0,0,0|3,0,0]=4 2288 B12R0.5 CCOCCOCCNCCCO 34a_100102712874_100000230001 [0,1,0,0,0,0|3,0,0]=4 2289 B12R0.5 CCOCCOCCNCCOC 2230a_100000209980_100011211534 [0,1,0,0,0,0|1,0,0]=2 2290 B12R0.5 CCOCCOCCNCCOC 2230a_100102712874_100011201679 [0,1,0,0,0,0|1,0,0]=2 2291 B12R0.5 CCOCCOCCNCCOC 34a_100102712874_100011201679 [0,1,0,0,0,0|1,0,0]=2 2292 B12R0.5 CCOCCOCCNCCSC 2230a_100020590264_100011211534 [0,1,0,0,0,0|1,1,0]=3 2293 B12R0.5 CCOCCOCCNCCSC 2230a_100102712874_100000751147 [0,1,0,0,0,0|1,1,0]=3 2294 B12R0.5 CCOCCOCCNCCSC 34a_100102712874_100000212216 [0,1,0,0,0,0|1,1,0]=3 2295 B12R0.5 CCOCCOCCOCCC#N 7a_100000210240_100000184422 [0,1,0,0,0,0|2,0,0]=3 2296 B12R0.5 CCOCCOCCOCCCBr 34a_100011217188_100011211534 [0,1,0,0,0,0|2,0,0]=3 2297 B12R0.5 CCOCCOCCOCCCCl 34a_100000230001_100011211534 [0,1,0,0,0,0|2,0,0]=3 2298 B12R0.5 CCOCCOCCOCCCF 34a_100000210240_100011934791 [0,1,0,0,0,0|2,0,0]=3 2299 B12R0.5 CCOCCOCCOCCCF 34a_100000759539_100011211534 [0,1,0,0,0,0|2,0,0]=3 2300 B12R0.5 CCOCCOCCOCCCF 7a_100000210240_100011934791 [0,1,0,0,0,0|2,0,0]=3 2301 B12R0.5 CCOCCOCCOCCCN 34a_100000182051_100011211534 [0,1,0,0,0,0|2,0,0]=3 2302 B12R0.5 CCOCCOCCOCCCN 34a_100011996194_100000210202 [0,1,0,0,0,0|2,0,0]=3 2303 B12R0.5 CCOCCOCCOCCCO 34a_100000210240_100000230001 [0,1,0,0,0,0|2,0,0]=3 2304 B12R0.5 CCOCCOCCOCCCO 7a_100000210240_100011215043 [0,1,0,0,0,0|2,0,0]=3 2305 B12R0.5 CCOCCOCCOCCNC 2230a_100012282185_200000210301 [0,1,0,0,0,0|1,0,0]=2 2306 B12R0.5 CCOCCOCCOCCNC 34a_100000228057_100000210147 [0,1,0,0,0,0|1,0,0]=2 2307 B12R0.5 CCOCCOCCOCCNC 34a_100012282185_200000210301 [0,1,0,0,0,0|1,0,0]=2 2308 B12R0.5 CCOCCOCCOCCNC 34a_200014138305_100000210202 [0,1,0,0,0,0|1,0,0]=2 2309 B12R0.5 CCOCCOCCOCCN[13CH3] 2230a_100012282185_200025704644 [0,1,0,0,0,0|1,0,0]=2 2310 B12R0.5 CCOCCOCCOCCN[13CH3] 34a_100012282185_200025704644 [0,1,0,0,0,0|1,0,0]=2 2311 B12R0.5 CCOCCOCCOCCOC 34a_100000033264_200000210301 [0,1,0,0,0,0|0,0,0]=1 2312 B12R0.5 CCOCCOCCOCCOC 34a_100000210136_100000695917 [0,1,0,0,0,0|0,0,0]=1 2313 B12R0.5 CCOCCOCCOCCOC 34a_100000210237_100011211534 [0,1,0,0,0,0|0,0,0]=1 2314 B12R0.5 CCOCCOCCOCCOC 34a_100000210240_100011201679 [0,1,0,0,0,0|0,0,0]=1 2315 B12R0.5 CCOCCOCCOCCOC 34a_100000688194_100000210202 [0,1,0,0,0,0|0,0,0]=1 2316 B12R0.5 CCOCCOCCOCCOC 34a_100011215163_100000210147 [0,1,0,0,0,0|0,0,0]=1 2317 B12R0.5 CCOCCOCCOCCOC 34a_100121572206_100013367474 [0,1,0,0,0,0|0,0,0]=1 2318 B12R0.5 CCOCCOCCOCCOC 7a_100000033264_200000210301 [0,1,0,0,0,0|0,0,0]=1 2319 B12R0.5 CCOCCOCCOCCOC 7a_100000210136_100000695917 [0,1,0,0,0,0|0,0,0]=1 2320 B12R0.5 CCOCCOCCOCCOC 7a_100000210240_100000233755 [0,1,0,0,0,0|0,0,0]=1 2321 B12R0.5 CCOCCOCCOCCOC 7a_100000688194_100000210202 [0,1,0,0,0,0|0,0,0]=1 2322 B12R0.5 CCOCCOCCOCCOC 7a_100011215163_100011215890 [0,1,0,0,0,0|0,0,0]=1 2323 B12R0.5 CCOCCOCCOCCON 34a_100000700252_100011211534 [0,1,0,0,0,0|1,0,0]=2 2324 B12R0.5 CCOCCOCCOCCO[13CH3] 34a_100000033264_200025704644 [0,1,0,0,0,0|0,0,0]=1 2325 B12R0.5 CCOCCOCCOCCO[13CH3] 7a_100000033264_200025704644 [0,1,0,0,0,0|0,0,0]=1 2326 B12R0.5 CCOCCOCCOCCSC 34a_100000210240_100000212216 [0,1,0,0,0,0|0,1,0]=2 2327 B12R0.5 CCOCCOCCOCCSC 34a_100000230434_100011211534 [0,1,0,0,0,0|0,1,0]=2 2328 B12R0.5 CCOCCOCCOCCSC 7a_100000210240_100000212216 [0,1,0,0,0,0|0,1,0]=2 2329 B12R0.5 CCOCCOCCOCCSC 7a_100000230434_100011211534 [0,1,0,0,0,0|0,1,0]=2 2330 B12R0.5 CCOCCOCCSCCC#N 62a_100011211534_100011215226 [0,1,0,0,0,0|2,1,0]=4 2331 B12R0.5 CCOCCOCCSCCC#N 62a_100011215226_100011211534 [0,1,0,0,0,0|2,1,0]=4 2332 B12R0.5 CCOCCOCCSCCCF 62a_100011211534_100011934791 [0,1,0,0,0,0|2,1,0]=4 2333 B12R0.5 CCOCCOCCSCCCF 62a_100011934791_100011211534 [0,1,0,0,0,0|2,1,0]=4 2334 B12R0.5 CCOCCOCCSCCCO 62a_100011211534_100011215043 [0,1,0,0,0,0|2,1,0]=4 2335 B12R0.5 CCOCCOCCSCCCO 62a_100011215043_100011211534 [0,1,0,0,0,0|2,1,0]=4 2336 B12R0.5 CCOCCOCCSCCOC 62a_100000233755_100011211534 [0,1,0,0,0,0|0,1,0]=2 2337 B12R0.5 CCOCCOCCSCCOC 62a_100011211534_100000233755 [0,1,0,0,0,0|0,1,0]=2 2338 B12R0.5 CCOCCOCCSCCSC 62a_100000212216_100011211534 [0,1,0,0,0,0|0,2,0]=3 2339 B12R0.5 CCOCCOCCSCCSC 62a_100011211534_100000751147 [0,1,0,0,0,0|0,2,0]=3 2340 B12R0.5 CCOCCOCCSCOCC 62a_100000739092_100011211534 [0,1,0,0,0,0|2,1,0]=4 2341 B12R0.5 CCOCCOCCSCOCC 62a_100011211534_100000739092 [0,1,0,0,0,0|2,1,0]=4 2342 B12R0.5 CCOCCSCCOCCOC 62a_100000210147_100000695917 [0,1,0,0,0,0|0,1,0]=2 2343 B12R0.5 CCOCCSCCOCCOC 62a_100000695917_100011215890 [0,1,0,0,0,0|0,1,0]=2 2344 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,1,0,0,0,0|3,0,0]=4 2345 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,1,0,0,0,0|3,0,0]=4 2346 B12R0.5 CCOCSCCCOCCOC 62a_100000739092_100011216529 [0,1,0,0,0,0|2,0,0]=3 2347 B12R0.5 CCOCSCCCOCCOC 62a_100011216529_100000739092 [0,1,0,0,0,0|2,0,0]=3 2348 B12R0.5 CCSCCNCCCCCOC 2230a_100000747528_100000757381 [0,1,0,0,0,0|2,1,0]=4 2349 B12R0.5 CCSCCNCCCCCOC 34a_100000747528_100000757381 [0,1,0,0,0,0|2,1,0]=4 2350 B12R0.5 CCSCCNCCOCCOC 2230a_100000106463_100000695917 [0,1,0,0,0,0|1,1,0]=3 2351 B12R0.5 CCSCCNCCOCCOC 2230a_100000745349_100000757381 [0,1,0,0,0,0|1,1,0]=3 2352 B12R0.5 CCSCCNCCOCCOC 34a_100000745349_100000757381 [0,1,0,0,0,0|1,1,0]=3 2353 B12R0.5 CCSCCOCCCCCNC 34a_100000722520_100000757381 [0,1,0,0,0,0|2,1,0]=4 2354 B12R0.5 CCSCCOCCOCCNC 34a_100000228057_100000757381 [0,1,0,0,0,0|1,1,0]=3 2355 B12R0.5 CCSCCOCCOCCOC 34a_100000212035_100000695917 [0,1,0,0,0,0|0,1,0]=2 2356 B12R0.5 CCSCCOCCOCCOC 34a_100011215163_100000757381 [0,1,0,0,0,0|0,1,0]=2 2357 B12R0.5 CCSCCOCCOCCOC 62a_100000210202_100013367474 [0,1,0,0,0,0|0,1,0]=2 2358 B12R0.5 CCSCCOCCOCCOC 62a_100013367474_100000210202 [0,1,0,0,0,0|0,1,0]=2 2359 B12R0.5 CCSCCOCCOCCOC 7a_100000212035_100000695917 [0,1,0,0,0,0|0,1,0]=2 2360 B12R0.5 CCSCCOCCOCCOC 7a_100011215163_100000757381 [0,1,0,0,0,0|0,1,0]=2 2361 B12R0.5 CCSCCSCCOCCOC 62a_100000695917_100000757381 [0,1,0,0,0,0|0,2,0]=3 2362 B12R0.5 CCSCCSCCOCCOC 62a_100000757381_100000695917 [0,1,0,0,0,0|0,2,0]=3 2363 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,1,0,0,0,0|3,0,0]=4 2364 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,1,0,0,0,0|3,0,0]=4 2365 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,1,0,0,0,0|2,0,0]=3 2366 B12R0.5 CNCCCOCCOCCOC 34a_100000213112_100000695917 [0,1,0,0,0,0|1,0,0]=2 2367 B12R0.5 CNCCOCCOCC#CCO 34a_100000228057_200000047223 [0,1,0,0,0,0|2,0,1]=4 2368 B12R0.5 CNCCOCCOCCCCF 34a_100000228057_100000729493 [0,1,0,0,0,0|2,0,0]=3 2369 B12R0.5 CNCCOCCOCCCCO 34a_100000228057_100011216708 [0,1,0,0,0,0|2,0,0]=3 2370 B12R0.5 CNCCOCCOCCCOC 34a_100000228057_100000740836 [0,1,0,0,0,0|1,0,0]=2 2371 B12R0.5 CNCCOCCOCCN=[N+]=[N-] 2230a_100160470849_200000210301 [0,1,0,0,0,0|3,0,0]=4 2372 B12R0.5 CNCCOCCOCCN=[N+]=[N-] 2230a_106832991635_100010820720 [0,1,0,0,0,0|3,0,0]=4 2373 B12R0.5 CNCCOCCOCCN=[N+]=[N-] 34a_100102657272_100010820720 [0,1,0,0,0,0|3,0,0]=4 2374 B12R0.5 CNCCOCCOCCN=[N+]=[N-] 7a_106832991635_100010820720 [0,1,0,0,0,0|3,0,0]=4 2375 B12R0.5 CNCCOCCOCCOCF 34a_200014138305_100015361967 [0,1,0,0,0,0|1,0,0]=2 2376 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,1,0,0,0,0|3,0,0]=4 2377 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,1,0,0,0,0|3,0,0]=4 2378 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,1,0,0,0,0|3,0,0]=4 2379 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,1,0,0,0,0|3,0,0]=4 2380 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,1,0,0,0,0|3,0,0]=4 2381 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,1,0,0,0,0|3,0,0]=4 2382 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,1,0,0,0,0|2,0,0]=3 2383 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,1,0,0,0,0|2,1,0]=4 2384 B12R0.5 COCCCCCCOCCC#N 7a_200012092642_100000184422 [0,1,0,0,0,0|3,0,0]=4 2385 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,1,0,0,0,0|3,0,0]=4 2386 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,1,0,0,0,0|3,0,0]=4 2387 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,1,0,0,0,0|3,0,0]=4 2388 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,1,0,0,0,0|3,0,0]=4 2389 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,1,0,0,0,0|3,0,0]=4 2390 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,1,0,0,0,0|3,0,0]=4 2391 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,1,0,0,0,0|3,0,0]=4 2392 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,1,0,0,0,0|3,0,0]=4 2393 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,1,0,0,0,0|1,0,0]=2 2394 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,1,0,0,0,0|1,0,0]=2 2395 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,1,0,0,0,0|1,0,0]=2 2396 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,1,0,0,0,0|2,0,0]=3 2397 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,1,0,0,0,0|1,1,0]=3 2398 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,1,0,0,0,0|1,1,0]=3 2399 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,1,0,0,0,0|1,1,0]=3 2400 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,1,0,0,0,0|1,1,0]=3 2401 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,1,0,0,0,0|1,1,0]=3 2402 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,1,0,0,0,0|1,1,0]=3 2403 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,1,0,0,0,0|1,2,0]=4 2404 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,1,0,0,0,0|1,2,0]=4 2405 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,1,0,0,0,0|3,0,0]=4 2406 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,1,0,0,0,0|3,0,0]=4 2407 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,1,0,0,0,0|3,0,0]=4 2408 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,1,0,0,0,0|3,0,0]=4 2409 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,1,0,0,0,0|2,0,0]=3 2410 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,1,0,0,0,0|2,0,0]=3 2411 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,1,0,0,0,0|2,0,0]=3 2412 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,1,0,0,0,0|2,1,0]=4 2413 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,1,0,0,0,0|2,1,0]=4 2414 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,1,0,0,0,0|2,0,0]=3 2415 B12R0.5 COCCCCSCOCCOC 62a_100000231047_100000730899 [0,1,0,0,0,0|1,0,0]=2 2416 B12R0.5 COCCCCSCOCCOC 62a_100000730899_100000231047 [0,1,0,0,0,0|1,0,0]=2 2417 B12R0.5 COCCCNCCOCCOC 2230a_100000745349_100000740836 [0,1,0,0,0,0|1,0,0]=2 2418 B12R0.5 COCCCNCCOCCOC 34a_100000745349_100000740836 [0,1,0,0,0,0|1,0,0]=2 2419 B12R0.5 COCCCNCCOCCOC 34a_100150723488_100000695917 [0,1,0,0,0,0|1,0,0]=2 2420 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,1,0,0,0,0|3,0,0]=4 2421 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,1,0,0,0,0|3,0,0]=4 2422 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,1,0,0,0,0|3,0,0]=4 2423 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,1,0,0,0,0|3,0,0]=4 2424 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,1,0,0,0,0|3,0,0]=4 2425 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,1,0,0,0,0|3,0,0]=4 2426 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,1,0,0,0,0|3,0,0]=4 2427 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,1,0,0,0,0|3,0,0]=4 2428 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,1,0,0,0,0|3,0,0]=4 2429 B12R0.5 COCCCOCCCOCSC 34a_200011215475_100011218213 [0,1,0,0,0,0|2,1,0]=4 2430 B12R0.5 COCCCOCCOCCOC 34a_100000740835_100000695917 [0,1,0,0,0,0|0,0,0]=1 2431 B12R0.5 COCCCOCCOCCOC 34a_100011215163_100000740836 [0,1,0,0,0,0|0,0,0]=1 2432 B12R0.5 COCCCOCCOCCOC 7a_100011215163_100000740836 [0,1,0,0,0,0|0,0,0]=1 2433 B12R0.5 COCCCSCCOCCOC 62a_100000695917_100000709357 [0,1,0,0,0,0|0,1,0]=2 2434 B12R0.5 COCCCSCCOCCOC 62a_100000709357_100000695917 [0,1,0,0,0,0|0,1,0]=2 2435 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,1,0,0,0,0|3,0,0]=4 2436 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,1,0,0,0,0|3,0,0]=4 2437 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,1,0,0,0,0|3,0,0]=4 2438 B12R0.5 COCCNCCCOCCCO 2230a_100011310245_100011201679 [0,1,0,0,0,0|3,0,0]=4 2439 B12R0.5 COCCNCCCOCCCO 34a_100011310245_100011201679 [0,1,0,0,0,0|3,0,0]=4 2440 B12R0.5 COCCNCCCOCCOC 2230a_100000206027_100011201679 [0,1,0,0,0,0|1,0,0]=2 2441 B12R0.5 COCCNCCCOCCOC 2230a_100000209980_100011216529 [0,1,0,0,0,0|1,0,0]=2 2442 B12R0.5 COCCNCCCOCCOC 34a_100000206027_100011201679 [0,1,0,0,0,0|1,0,0]=2 2443 B12R0.5 COCCNCCOCCN=[N+]=[N-] 2230a_100102953956_100011201679 [0,1,0,0,0,0|3,0,0]=4 2444 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,1,0,0,0,0|2,0,0]=3 2445 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,1,0,0,0,0|2,0,0]=3 2446 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,1,0,0,0,0|2,0,0]=3 2447 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,1,0,0,0,0|2,0,0]=3 2448 B12R0.5 COCCOCCCNCCC#N 2230a_100000206027_100011215226 [0,1,0,0,0,0|3,0,0]=4 2449 B12R0.5 COCCOCCCNCCCF 2230a_100000206027_100011934791 [0,1,0,0,0,0|3,0,0]=4 2450 B12R0.5 COCCOCCCNCCCF 2230a_100015189416_100011216529 [0,1,0,0,0,0|3,0,0]=4 2451 B12R0.5 COCCOCCCNCCCF 34a_100000206027_100011934791 [0,1,0,0,0,0|3,0,0]=4 2452 B12R0.5 COCCOCCCNCCCF 34a_100015189416_100011216529 [0,1,0,0,0,0|3,0,0]=4 2453 B12R0.5 COCCOCCCNCCCO 2230a_100000206027_100000230001 [0,1,0,0,0,0|3,0,0]=4 2454 B12R0.5 COCCOCCCNCCCO 34a_100000206027_100000230001 [0,1,0,0,0,0|3,0,0]=4 2455 B12R0.5 COCCOCCCNCCSC 2230a_100000206027_100000751147 [0,1,0,0,0,0|1,1,0]=3 2456 B12R0.5 COCCOCCCNCCSC 2230a_100020590264_100011216529 [0,1,0,0,0,0|1,1,0]=3 2457 B12R0.5 COCCOCCCNCCSC 34a_100000206027_100000212216 [0,1,0,0,0,0|1,1,0]=3 2458 B12R0.5 COCCOCCCOCCCBr 34a_100011217188_100011216529 [0,1,0,0,0,0|2,0,0]=3 2459 B12R0.5 COCCOCCCOCCCCl 34a_100000230001_100011216529 [0,1,0,0,0,0|2,0,0]=3 2460 B12R0.5 COCCOCCCOCCCF 34a_100000759539_100011216529 [0,1,0,0,0,0|2,0,0]=3 2461 B12R0.5 COCCOCCCOCCCN 34a_100000182051_100011216529 [0,1,0,0,0,0|2,0,0]=3 2462 B12R0.5 COCCOCCCOCCCN 34a_100011310245_100011201679 [0,1,0,0,0,0|2,0,0]=3 2463 B12R0.5 COCCOCCCOCCOC 34a_100000210237_100011216529 [0,1,0,0,0,0|0,0,0]=1 2464 B12R0.5 COCCOCCCOCCON 34a_100000700252_100011216529 [0,1,0,0,0,0|1,0,0]=2 2465 B12R0.5 COCCOCCCOCCSC 34a_100000230434_100011216529 [0,1,0,0,0,0|0,1,0]=2 2466 B12R0.5 COCCOCCCOCCSC 7a_100000230434_100011216529 [0,1,0,0,0,0|0,1,0]=2 2467 B12R0.5 COCCOCCCSCCC#N 62a_100011215226_100011216529 [0,1,0,0,0,0|2,1,0]=4 2468 B12R0.5 COCCOCCCSCCC#N 62a_100011216529_100011215226 [0,1,0,0,0,0|2,1,0]=4 2469 B12R0.5 COCCOCCCSCCCF 62a_100011216529_100011934791 [0,1,0,0,0,0|2,1,0]=4 2470 B12R0.5 COCCOCCCSCCCF 62a_100011934791_100011216529 [0,1,0,0,0,0|2,1,0]=4 2471 B12R0.5 COCCOCCCSCCCO 62a_100011215043_100011216529 [0,1,0,0,0,0|2,1,0]=4 2472 B12R0.5 COCCOCCCSCCCO 62a_100011216529_100011215043 [0,1,0,0,0,0|2,1,0]=4 2473 B12R0.5 COCCOCCCSCCOC 62a_100000233755_100011216529 [0,1,0,0,0,0|0,1,0]=2 2474 B12R0.5 COCCOCCCSCCOC 62a_100011216529_100000233755 [0,1,0,0,0,0|0,1,0]=2 2475 B12R0.5 COCCOCCCSCCSC 62a_100000212216_100011216529 [0,1,0,0,0,0|0,2,0]=3 2476 B12R0.5 COCCOCCCSCCSC 62a_100011216529_100000751147 [0,1,0,0,0,0|0,2,0]=3 2477 B12R0.5 COCCOCCNCC#CCO 2230a_100000745349_200000047223 [0,1,0,0,0,0|2,0,1]=4 2478 B12R0.5 COCCOCCNCC#CCO 34a_100000745349_200000047223 [0,1,0,0,0,0|2,0,1]=4 2479 B12R0.5 COCCOCCNCCCC#N 2230a_100000745349_100000687738 [0,1,0,0,0,0|2,0,1]=4 2480 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,1,0,0,0,0|2,0,1]=4 2481 B12R0.5 COCCOCCNCCCCF 2230a_100000745349_100000729493 [0,1,0,0,0,0|2,0,0]=3 2482 B12R0.5 COCCOCCNCCCCF 34a_100000745349_100000729493 [0,1,0,0,0,0|2,0,0]=3 2483 B12R0.5 COCCOCCNCCCCO 2230a_100000745349_100000210776 [0,1,0,0,0,0|2,0,0]=3 2484 B12R0.5 COCCOCCNCCCCO 2230a_100000750430_100000695917 [0,1,0,0,0,0|2,0,0]=3 2485 B12R0.5 COCCOCCNCCCCO 34a_100000745349_100011216708 [0,1,0,0,0,0|2,0,0]=3 2486 B12R0.5 COCCOCCNCCCCO 34a_100000750430_100000695917 [0,1,0,0,0,0|2,0,0]=3 2487 B12R0.5 COCCOCCNCCCSC 2230a_100000749238_100000695917 [0,1,0,0,0,0|1,1,0]=3 2488 B12R0.5 COCCOCCOCC#CCCl 34a_200000047223_100000695917 [0,1,0,0,0,0|1,0,1]=3 2489 B12R0.5 COCCOCCOCC#CCO 34a_100011215163_200000047223 [0,1,0,0,0,0|1,0,1]=3 2490 B12R0.5 COCCOCCOCC#CCO 7a_100011215163_200000047223 [0,1,0,0,0,0|1,0,1]=3 2491 B12R0.5 COCCOCCOCCCC#N 7a_100011215163_100000687738 [0,1,0,0,0,0|1,0,1]=3 2492 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,1,0,0,0,0|1,0,1]=3 2493 B12R0.5 COCCOCCOCCCCBr 34a_100011216708_100000695917 [0,1,0,0,0,0|1,0,0]=2 2494 B12R0.5 COCCOCCOCCCCCl 34a_100000210776_100000695917 [0,1,0,0,0,0|1,0,0]=2 2495 B12R0.5 COCCOCCOCCCCCl 7a_100000210776_100000695917 [0,1,0,0,0,0|1,0,0]=2 2496 B12R0.5 COCCOCCOCCCCF 34a_100011215163_100000729493 [0,1,0,0,0,0|1,0,0]=2 2497 B12R0.5 COCCOCCOCCCCF 34a_100011995726_100000695917 [0,1,0,0,0,0|1,0,0]=2 2498 B12R0.5 COCCOCCOCCCCF 7a_100011215163_100000729493 [0,1,0,0,0,0|1,0,0]=2 2499 B12R0.5 COCCOCCOCCCCF 7a_100011995726_100000695917 [0,1,0,0,0,0|1,0,0]=2 2500 B12R0.5 COCCOCCOCCCCI 34a_200012148704_100000695917 [0,1,0,0,0,0|1,0,0]=2 2501 B12R0.5 COCCOCCOCCCCN 34a_100000750430_100000695917 [0,1,0,0,0,0|1,0,0]=2 2502 B12R0.5 COCCOCCOCCCCO 34a_100011215163_100011216708 [0,1,0,0,0,0|1,0,0]=2 2503 B12R0.5 COCCOCCOCCCCO 7a_100011215163_100000210776 [0,1,0,0,0,0|1,0,0]=2 2504 B12R0.5 COCCOCCOCCCSC 34a_100000690336_100000695917 [0,1,0,0,0,0|0,1,0]=2 2505 B12R0.5 COCCOCCOCCCSC 7a_100000690336_100000695917 [0,1,0,0,0,0|0,1,0]=2 2506 B12R0.5 COCCOCCOCCN=[N+]=[N-] 34a_100138415774_100010820720 [0,1,0,0,0,0|2,0,0]=3 2507 B12R0.5 COCCOCCOCCNCF 34a_100012028300_100015361967 [0,1,0,0,0,0|1,0,0]=2 2508 B12R0.5 COCCOCCOCCOCF 34a_100000688194_100015361967 [0,1,0,0,0,0|0,0,0]=1 2509 B12R0.5 COCCOCCOCCOCF 7a_100000688194_100015361967 [0,1,0,0,0,0|0,0,0]=1 2510 B12R0.5 COCCOCCOCCSCF 62a_100013367474_100015361967 [0,1,0,0,0,0|0,1,0]=2 2511 B12R0.5 COCCOCCOCCSCF 62a_100015361967_100013367474 [0,1,0,0,0,0|0,1,0]=2 2512 B12R0.5 COCCOCCSCC#CCO 62a_100000695917_200000047223 [0,1,0,0,0,0|1,1,1]=4 2513 B12R0.5 COCCOCCSCC#CCO 62a_200000047223_100000695917 [0,1,0,0,0,0|1,1,1]=4 2514 B12R0.5 COCCOCCSCCCC#N 62a_100000687738_100000695917 [0,1,0,0,0,0|1,1,1]=4 2515 B12R0.5 COCCOCCSCCCC#N 62a_100000695917_100000687738 [0,1,0,0,0,0|1,1,1]=4 2516 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,1,0,0,0,0|1,1,1]=4 2517 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,1,0,0,0,0|1,1,1]=4 2518 B12R0.5 COCCOCCSCCCCF 62a_100000695917_100000729493 [0,1,0,0,0,0|1,1,0]=3 2519 B12R0.5 COCCOCCSCCCCF 62a_100000729493_100000695917 [0,1,0,0,0,0|1,1,0]=3 2520 B12R0.5 COCCOCCSCCCCO 62a_100000210776_100000695917 [0,1,0,0,0,0|1,1,0]=3 2521 B12R0.5 COCCOCCSCCCCO 62a_100000695917_100000210776 [0,1,0,0,0,0|1,1,0]=3 2522 B12R0.5 COCCOCCSCCSC#N 62a_100000034367_100000695917 [0,1,0,0,0,0|0,2,1]=4 2523 B12R0.5 COCCOCCSCCSC#N 62a_100000695917_100000034367 [0,1,0,0,0,0|0,2,1]=4 2524 B12R0.5 COCCOCNCCCCCO 2230a_100000762737_100000231047 [0,1,0,0,0,0|3,0,0]=4 2525 B12R0.5 COCCOCSCCCCC#N 62a_100000231047_100000211819 [0,1,0,0,0,0|3,0,0]=4 2526 B12R0.5 COCCOCSCCCCC#N 62a_100011219923_100000231047 [0,1,0,0,0,0|3,0,0]=4 2527 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,1,0,0,0,0|3,0,0]=4 2528 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,1,0,0,0,0|3,0,0]=4 2529 B12R0.5 COCCOCSCCCCCF 62a_100000231047_100000729378 [0,1,0,0,0,0|3,0,0]=4 2530 B12R0.5 COCCOCSCCCCCF 62a_100000729378_100000231047 [0,1,0,0,0,0|3,0,0]=4 2531 B12R0.5 COCCOCSCCCCCO 62a_100000231047_100000746330 [0,1,0,0,0,0|3,0,0]=4 2532 B12R0.5 COCCOCSCCCCCO 62a_100000746330_100000231047 [0,1,0,0,0,0|3,0,0]=4 2533 B12R0.5 COCCOCSCOCCOC 62a_100000231047_100000231047 [0,1,0,0,0,0|0,0,0]=1 2534 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,1,0,0,0,0|2,1,0]=4 2535 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,1,0,0,0,0|2,1,0]=4 2536 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,1,0,0,0,0|2,1,0]=4 2537 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,1,0,0,0,0|2,1,0]=4 2538 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,1,0,0,0,0|2,1,0]=4 2539 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,1,0,0,0,0|2,1,0]=4 2540 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,1,0,0,0,0|2,1,0]=4 2541 B12R0.5 CSCCOCCCOCCCN 34a_100011310245_100000212216 [0,1,0,0,0,0|2,1,0]=4 2542 B12R0.5 CSCCOCCOCCN=[N+]=[N-] 62a_100010820720_200000210301 [0,1,0,0,0,0|2,1,0]=4 2543 B12R0.5 CSCCOCCOCCN=[N+]=[N-] 62a_200000210301_100010820720 [0,1,0,0,0,0|2,1,0]=4 2544 B12R0.5 NCCCOCCOCCOCF 34a_100011996194_100015361967 [0,1,0,0,0,0|2,0,0]=3 2545 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,1,0,0,0,0|3,0,0]=4 2546 B12R0.5 [13CH3]NCCOCCOCCN=[N+]=[N-] 2230a_100160470849_200025704644 [0,1,0,0,0,0|3,0,0]=4 2547 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,1,0,0,0,0|3,0,0]=4 2548 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,1,0,0,0,0|3,0,0]=4 2549 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,1,0,0,0,0|3,0,0]=4 2550 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,1,0,0,0,0|3,0,0]=4 2551 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,1,0,0,0,0|3,0,0]=4 2552 B12R0.5 [13CH3]SCCOCCOCCN=[N+]=[N-] 62a_100010820720_200025704644 [0,1,0,0,0,0|2,1,0]=4 2553 B12R0.5 [13CH3]SCCOCCOCCN=[N+]=[N-] 62a_200025704644_100010820720 [0,1,0,0,0,0|2,1,0]=4 2554 B12R0.47 C#CCCOC(C)COCCCC 34a_100011217071_100000688953 [0,1,0,0,0,0|2,0,1]=4 2555 B12R0.47 C#CCCOC(C)COCCCC 7a_100011217071_100000688953 [0,1,0,0,0,0|2,0,1]=4 2556 B12R0.47 C#CCCOCC(=O)OCCOC 34a_100011215631_200000040189 [0,1,0,0,0,0|1,0,2]=4 2557 B12R0.47 C/C=C/COC(C)COCCCC 34a_100011217071_100102629194 [0,1,0,0,0,0|2,0,1]=4 2558 B12R0.47 C/C=C/COC(C)COCCCC 7a_100011217071_100102629194 [0,1,0,0,0,0|2,0,1]=4 2559 B12R0.47 C/C=C/COCC(=O)OCCOC 34a_100016270725_200000040189 [0,1,0,0,0,0|1,0,2]=4 2560 B12R0.47 C=CCCOC(C)COCCCC 34a_100011217071_100000754431 [0,1,0,0,0,0|2,0,1]=4 2561 B12R0.47 C=CCCOC(C)COCCCC 7a_100011217071_100000754431 [0,1,0,0,0,0|2,0,1]=4 2562 B12R0.47 C=CCCOCC(=O)OCCOC 34a_100011205117_200000040189 [0,1,0,0,0,0|1,0,2]=4 2563 B12R0.47 CC#CCOC(C)COCCCC 34a_100011217071_100000748600 [0,1,0,0,0,0|2,0,1]=4 2564 B12R0.47 CC#CCOC(C)COCCCC 7a_100011217071_100000748600 [0,1,0,0,0,0|2,0,1]=4 2565 B12R0.47 CC#CCOCC(=O)OCCOC 34a_100000761923_200000040189 [0,1,0,0,0,0|1,0,2]=4 2566 B12R0.47 CC=CCOC(C)COCCCC 34a_100011217071_100000070051 [0,1,0,0,0,0|2,0,1]=4 2567 B12R0.47 CC=CCOC(C)COCCCC 7a_100011217071_100000070051 [0,1,0,0,0,0|2,0,1]=4 2568 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [0,1,0,0,0,0|2,0,1]=4 2569 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [0,1,0,0,0,0|2,0,1]=4 2570 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000209980_100011215978 [0,1,0,0,0,0|3,0,0]=4 2571 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000210919_100011201679 [0,1,0,0,0,0|3,0,0]=4 2572 B12R0.47 CCCCCCC(C)NCCOC 270004a_100000209980_100000210826 [0,1,0,0,0,0|3,0,0]=4 2573 B12R0.47 CCCCCCC(C)NCCOC 34a_100000210919_100011201679 [0,1,0,0,0,0|3,0,0]=4 2574 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,1,0,0,0,0|3,0,0]=4 2575 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,1,0,0,0,0|3,0,0]=4 2576 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,1,0,0,0,0|3,0,0]=4 2577 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,1,0,0,0,0|3,0,0]=4 2578 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,1,0,0,0,0|2,0,0]=3 2579 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,1,0,0,0,0|2,0,0]=3 2580 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,1,0,0,0,0|2,0,0]=3 2581 B12R0.47 CCCCCCC(C)OCCON 34a_100000700252_100011215978 [0,1,0,0,0,0|3,0,0]=4 2582 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,1,0,0,0,0|2,1,0]=4 2583 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,1,0,0,0,0|2,1,0]=4 2584 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,1,0,0,0,0|2,1,0]=4 2585 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,1,0,0,0,0|2,1,0]=4 2586 B12R0.47 CCCCCCC(C)SCCOC 62a_100000233755_100011215978 [0,1,0,0,0,0|2,1,0]=4 2587 B12R0.47 CCCCCCC(C)SCCOC 62a_100011215978_100000233755 [0,1,0,0,0,0|2,1,0]=4 2588 B12R0.47 CCCCCN(C)COCCOC 2230a_100000223495_100000231047 [0,1,0,0,0,0|3,0,0]=4 2589 B12R0.47 CCCCCN(C)COCCOC 269982a_100000223495_100000231047 [0,1,0,0,0,0|3,0,0]=4 2590 B12R0.47 CCCCNC(=O)COCCOC 11a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 2591 B12R0.47 CCCCNC(=O)COCCOC 1626a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 2592 B12R0.47 CCCCNC(=O)COCCOC 240690a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 2593 B12R0.47 CCCCNC(=O)COCCOC 34a_100000210237_100000182744 [0,1,0,0,0,0|2,0,1]=4 2594 B12R0.47 CCCCNC(=O)COCCOC 527a_100000102301_100000211095 [0,1,0,0,0,0|2,0,1]=4 2595 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,1,0,0,0,0|2,0,1]=4 2596 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,1,0,0,0,0|2,0,1]=4 2597 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [0,1,0,0,0,0|2,0,1]=4 2598 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [0,1,0,0,0,0|1,0,1]=3 2599 B12R0.47 CCCCOC(=O)COCCON 34a_100000700252_100000211628 [0,1,0,0,0,0|2,0,1]=4 2600 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [0,1,0,0,0,0|1,1,1]=4 2601 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [0,1,0,0,0,0|1,1,1]=4 2602 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [0,1,0,0,0,0|1,1,1]=4 2603 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [0,1,0,0,0,0|1,1,1]=4 2604 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,1,0,0,0,0|2,0,1]=4 2605 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,1,0,0,0,0|2,0,1]=4 2606 B12R0.47 CCCCOCC(=O)NCCOC 1626a_100000209980_100000757543 [0,1,0,0,0,0|2,0,1]=4 2607 B12R0.47 CCCCOCC(=O)NCCOC 240690a_100000209980_100000757543 [0,1,0,0,0,0|2,0,1]=4 2608 B12R0.47 CCCCOCC(=O)NCCOC 34a_100000210227_100000183275 [0,1,0,0,0,0|2,0,1]=4 2609 B12R0.47 CCCCOCC(=O)NCCOC 527a_100000209980_100000757543 [0,1,0,0,0,0|2,0,1]=4 2610 B12R0.47 CCCCOCC(=O)NCCOC 7a_100000210227_100000183275 [0,1,0,0,0,0|2,0,1]=4 2611 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,1,0,0,0,0|2,0,1]=4 2612 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,1,0,0,0,0|2,0,1]=4 2613 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,1,0,0,0,0|1,0,1]=3 2614 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,1,0,0,0,0|1,0,1]=3 2615 B12R0.47 CCCCOCC(C)OCCC#N 7a_100011217071_100000184422 [0,1,0,0,0,0|3,0,0]=4 2616 B12R0.47 CCCCOCC(C)OCCCC 34a_100011217071_100000210210 [0,1,0,0,0,0|2,0,0]=3 2617 B12R0.47 CCCCOCC(C)OCCCC 7a_100011217071_100000210211 [0,1,0,0,0,0|2,0,0]=3 2618 B12R0.47 CCCCOCC(C)OCCCF 34a_100011217071_100011934791 [0,1,0,0,0,0|3,0,0]=4 2619 B12R0.47 CCCCOCC(C)OCCCF 7a_100011217071_100011934791 [0,1,0,0,0,0|3,0,0]=4 2620 B12R0.47 CCCCOCC(C)OCCCO 34a_100011217071_100000230001 [0,1,0,0,0,0|3,0,0]=4 2621 B12R0.47 CCCCOCC(C)OCCCO 7a_100011217071_100011215043 [0,1,0,0,0,0|3,0,0]=4 2622 B12R0.47 CCCCOCC(C)OCCOC 34a_100011217071_100011201679 [0,1,0,0,0,0|1,0,0]=2 2623 B12R0.47 CCCCOCC(C)OCCOC 7a_100011217071_100000233755 [0,1,0,0,0,0|1,0,0]=2 2624 B12R0.47 CCCCOCC(C)OCCSC 34a_100011217071_100000212216 [0,1,0,0,0,0|1,1,0]=3 2625 B12R0.47 CCCCOCC(C)OCCSC 7a_100011217071_100000212216 [0,1,0,0,0,0|1,1,0]=3 2626 B12R0.47 CCCCOCN(C)CCCOC 2230a_100000224831_100011995733 [0,1,0,0,0,0|3,0,0]=4 2627 B12R0.47 CCCCOCN(C)CCCOC 269982a_100000224831_100011995733 [0,1,0,0,0,0|3,0,0]=4 2628 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,1,0,0,0,0|1,1,1]=4 2629 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,1,0,0,0,0|1,1,1]=4 2630 B12R0.47 COCCCC(=O)COCCOC 1458a_100000211095_100000740836 [0,1,0,0,0,0|1,0,1]=3 2631 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,1,0,0,0,0|2,0,1]=4 2632 B12R0.47 COCCCCN(C)CCCOC 2230a_100000224831_100000730899 [0,1,0,0,0,0|3,0,0]=4 2633 B12R0.47 COCCCCN(C)CCCOC 269982a_100000224831_100000730899 [0,1,0,0,0,0|3,0,0]=4 2634 B12R0.47 COCCCN(C)COCCOC 2230a_100000224831_100000231047 [0,1,0,0,0,0|2,0,0]=3 2635 B12R0.47 COCCCN(C)COCCOC 269982a_100000224831_100000231047 [0,1,0,0,0,0|2,0,0]=3 2636 B12R0.47 COCCCOC(C)CCCOC 34a_200011539412_100000740836 [0,1,0,0,0,0|3,0,0]=4 2637 B12R0.47 COCCCOC(C)CCCOC 7a_200011539412_100000740836 [0,1,0,0,0,0|3,0,0]=4 2638 B12R0.47 COCCNC(=O)COCCOC 1626a_100000209980_100000211095 [0,1,0,0,0,0|1,0,1]=3 2639 B12R0.47 COCCNC(=O)COCCOC 240690a_100000209980_100000211095 [0,1,0,0,0,0|1,0,1]=3 2640 B12R0.47 COCCNC(=O)COCCOC 34a_100000210237_100000183275 [0,1,0,0,0,0|1,0,1]=3 2641 B12R0.47 COCCNC(=O)COCCOC 527a_100000209980_100000211095 [0,1,0,0,0,0|1,0,1]=3 2642 B12R0.47 COCCNC(=O)COCCON 34a_100000700252_100000183275 [0,1,0,0,0,0|2,0,1]=4 2643 B12R0.47 COCCNC(=O)COCCSC 34a_100000230434_100000183275 [0,1,0,0,0,0|1,1,1]=4 2644 B12R0.47 COCCNC(=O)COCCSC 7a_100000230434_100000183275 [0,1,0,0,0,0|1,1,1]=4 2645 B12R0.47 COCCNC(=O)CSCCOC 62a_100000183275_100000233755 [0,1,0,0,0,0|1,1,1]=4 2646 B12R0.47 COCCNC(=O)CSCCOC 62a_100000233755_100000183275 [0,1,0,0,0,0|1,1,1]=4 2647 B12R0.47 COCCNCC(=O)NCCOC 2230a_100000209980_100000183275 [0,1,0,0,0,0|2,0,1]=4 2648 B12R0.47 COCCNCC(=O)NCCOC 2230a_100000754632_100011201679 [0,1,0,0,0,0|2,0,1]=4 2649 B12R0.47 COCCNCC(=O)OCCOC 2230a_100000209980_200000040189 [0,1,0,0,0,0|1,0,1]=3 2650 B12R0.47 COCCOC(=O)CNCCSC 2230a_100020590264_200000040189 [0,1,0,0,0,0|1,1,1]=4 2651 B12R0.47 COCCOC(=O)COCCCBr 34a_100011217188_200000040189 [0,1,0,0,0,0|2,0,1]=4 2652 B12R0.47 COCCOC(=O)COCCCCl 34a_100000230001_200000040189 [0,1,0,0,0,0|2,0,1]=4 2653 B12R0.47 COCCOC(=O)COCCCF 34a_100000759539_200000040189 [0,1,0,0,0,0|2,0,1]=4 2654 B12R0.47 COCCOC(=O)COCCCN 34a_100000182051_200000040189 [0,1,0,0,0,0|2,0,1]=4 2655 B12R0.47 COCCOC(=O)COCCON 34a_100000700252_200000040189 [0,1,0,0,0,0|1,0,1]=3 2656 B12R0.47 COCCOC(=O)COCCSC 34a_100000230434_200000040189 [0,1,0,0,0,0|0,1,1]=3 2657 B12R0.47 COCCOC(=O)COCCSC 7a_100000230434_200000040189 [0,1,0,0,0,0|0,1,1]=3 2658 B12R0.47 COCCOC(=O)CSCCOC 62a_100000233755_200000040189 [0,1,0,0,0,0|0,1,1]=3 2659 B12R0.47 COCCOC(=O)CSCCOC 62a_200000040189_100000233755 [0,1,0,0,0,0|0,1,1]=3 2660 B12R0.47 COCCOC(=O)CSCCSC 62a_100000212216_200000040189 [0,1,0,0,0,0|0,2,1]=4 2661 B12R0.47 COCCOC(=O)CSCCSC 62a_200000040189_100000751147 [0,1,0,0,0,0|0,2,1]=4 2662 B12R0.47 COCCOCC(=O)NCCSC 11a_100020590264_100000211095 [0,1,0,0,0,0|1,1,1]=4 2663 B12R0.47 COCCOCC(=O)NCCSC 1626a_100020590264_100000211095 [0,1,0,0,0,0|1,1,1]=4 2664 B12R0.47 COCCOCC(=O)NCCSC 240690a_100020590264_100000211095 [0,1,0,0,0,0|1,1,1]=4 2665 B12R0.47 COCCOCC(=O)NCCSC 527a_100020590264_100000211095 [0,1,0,0,0,0|1,1,1]=4 2666 B12R0.47 COCCOCC(=O)OCCOC 34a_100000210237_200000040189 [0,1,0,0,0,0|0,0,1]=2 2667 B12R0.47 COCCOC[C@@H](N)CCCCN 34a_100016993712_100011201679 [0,1,0,0,0,0|3,0,0]=4 2668 B12R0.206 C#CCCC(=O)CCOCCOC 1458a_100000692101_100000695917 [0,1,0,0,0,0|2,0,1]=4 2669 B12R0.206 C#CCCC(=O)CCOCCOC 1458a_100000745395_100000753159 [0,1,0,0,0,0|2,0,1]=4 2670 B12R0.206 C#CCCC(=O)CCOCCOC 34a_100011064465_100011201679 [0,1,0,0,0,0|2,0,1]=4 2671 B12R0.206 C#CCCC(=O)CCOCCOC 7a_100011064465_100000233755 [0,1,0,0,0,0|2,0,1]=4 2672 B12R0.206 C/C=C/CC(=O)CCOCCOC 1458a_100000745395_100102629194 [0,1,0,0,0,0|2,0,1]=4 2673 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000745395_100000754431 [0,1,0,0,0,0|2,0,1]=4 2674 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000749702_100000695917 [0,1,0,0,0,0|2,0,1]=4 2675 B12R0.206 C=CCCN(C)CCOCCOC 2230a_100020639649_100000695917 [0,1,0,0,0,0|2,0,1]=4 2676 B12R0.206 C=CCCN(C)CCOCCOC 269982a_100020639649_100000695917 [0,1,0,0,0,0|2,0,1]=4 2677 B12R0.206 CC#CCC(=O)CCOCCOC 1458a_100000745395_100000748600 [0,1,0,0,0,0|2,0,1]=4 2678 B12R0.206 CC=CCC(=O)CCOCCOC 1458a_100000745395_100000070051 [0,1,0,0,0,0|2,0,1]=4 2679 B12R0.206 CC=CCC(=O)CCOCCOC 1458a_100121576822_100000695917 [0,1,0,0,0,0|2,0,1]=4 2680 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,1,0,0,0,0|3,0,0]=4 2681 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,1,0,0,0,0|2,0,0]=3 2682 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,1,0,0,0,0|2,0,0]=3 2683 B12R0.206 CCCCC(C)NCOCCOC 2230a_100000126638_100000231047 [0,1,0,0,0,0|3,0,0]=4 2684 B12R0.206 CCCCC(C)SCOCCOC 62a_100000231047_200011215066 [0,1,0,0,0,0|3,0,0]=4 2685 B12R0.206 CCCCC(C)SCOCCOC 62a_200011215066_100000231047 [0,1,0,0,0,0|3,0,0]=4 2686 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,0,0,0,0|3,0,0]=4 2687 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,0,0,0,0|3,0,0]=4 2688 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,1,0,0,0,0|3,0,0]=4 2689 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 2690 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,1,0,0,0,0|3,0,0]=4 2691 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 2692 B12R0.206 CCCCN(C)CCOCCOC 2230a_100000207549_100000695917 [0,1,0,0,0,0|2,0,0]=3 2693 B12R0.206 CCCCN(C)CCOCCOC 269982a_100000207549_100000695917 [0,1,0,0,0,0|2,0,0]=3 2694 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,1,0,0,0,0|3,0,0]=4 2695 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,1,0,0,0,0|2,0,0]=3 2696 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,1,0,0,0,0|2,1,0]=4 2697 B12R0.206 CCCCOCCN(C)CCCC 2230a_100000207549_100000743108 [0,1,0,0,0,0|3,0,0]=4 2698 B12R0.206 CCCCOCCN(C)CCCC 269982a_100000207549_100000743108 [0,1,0,0,0,0|3,0,0]=4 2699 B12R0.206 CCCCOCCN(C)CCOC 2230a_100000743101_100000743108 [0,1,0,0,0,0|2,0,0]=3 2700 B12R0.206 CCCCOCCN(C)CCOC 269982a_100000743101_100000743108 [0,1,0,0,0,0|2,0,0]=3 2701 B12R0.206 CCCCOCCN(C)CCSC 2230a_100000686725_100000743108 [0,1,0,0,0,0|2,1,0]=4 2702 B12R0.206 CCCCOCCN(C)CCSC 269982a_100000686725_100000743108 [0,1,0,0,0,0|2,1,0]=4 2703 B12R0.206 CCCNC(=O)CCOCCOC 11a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 2704 B12R0.206 CCCNC(=O)CCOCCOC 1626a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 2705 B12R0.206 CCCNC(=O)CCOCCOC 240690a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 2706 B12R0.206 CCCNC(=O)CCOCCOC 527a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 2707 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,1,0,0,0,0|3,0,0]=4 2708 B12R0.206 CCSCC(=O)CCOCCOC 1458a_100000230394_100000695917 [0,1,0,0,0,0|3,0,0]=4 2709 B12R0.206 COC=CC(=O)CCOCCOC 1458a_100016268678_100000695917 [0,1,0,0,0,0|1,0,2]=4 2710 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,1,0,0,0,0|2,0,0]=3 2711 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,1,0,0,0,0|2,1,0]=4 2712 B12R0.206 COCCOCCC(=O)CCC#N 1458a_100000745395_100011215226 [0,1,0,0,0,0|3,0,0]=4 2713 B12R0.206 COCCOCCC(=O)CCC#N 1458a_100011934036_100000695917 [0,1,0,0,0,0|3,0,0]=4 2714 B12R0.206 COCCOCCC(=O)CCCF 1458a_100000745395_100011934791 [0,1,0,0,0,0|3,0,0]=4 2715 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,1,0,0,0,0|3,0,0]=4 2716 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,1,0,0,0,0|1,0,0]=2 2717 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,1,0,0,0,0|1,0,0]=2 2718 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000174002_100000695917 [0,1,0,0,0,0|1,1,0]=3 2719 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000745395_100000751147 [0,1,0,0,0,0|1,1,0]=3 2720 B12R0.206 COCCOCCN(C)CCC#N 2230a_100000184479_100000695917 [0,1,0,0,0,0|3,0,0]=4 2721 B12R0.206 COCCOCCN(C)CCCO 2230a_100000213112_100000695917 [0,1,0,0,0,0|3,0,0]=4 2722 B12R0.206 COCCOCCN(C)CCCO 269982a_100000213112_100000695917 [0,1,0,0,0,0|3,0,0]=4 2723 B12R0.206 COCCOCCN(C)CCOC 2230a_100000743101_100000695917 [0,1,0,0,0,0|1,0,0]=2 2724 B12R0.206 COCCOCCN(C)CCOC 269982a_100000743101_100000695917 [0,1,0,0,0,0|1,0,0]=2 2725 B12R0.206 COCCOCCN(C)CCSC 2230a_100000686725_100000695917 [0,1,0,0,0,0|1,1,0]=3 2726 B12R0.206 COCCOCCN(C)CCSC 269982a_100000686725_100000695917 [0,1,0,0,0,0|1,1,0]=3 2727 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,1,0,0,0,0|2,0,1]=4 2728 B12R0.234 C=C(Br)CCOCCOCCOC 34a_100009813270_100000695917 [0,1,0,0,0,0|1,0,1]=3 2729 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 2730 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 2731 B12R0.234 C=C(C)CCNCCOCCOC 2230a_100000745349_100000730704 [0,1,0,0,0,0|2,0,0]=3 2732 B12R0.234 C=C(C)CCNCCOCCOC 34a_100000745349_100000730704 [0,1,0,0,0,0|2,0,0]=3 2733 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|3,0,0]=4 2734 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|3,0,0]=4 2735 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|3,0,0]=4 2736 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 2737 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,1,0,0,0,0|2,0,0]=3 2738 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,1,0,0,0,0|2,0,0]=3 2739 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,1,0,0,0,0|2,0,0]=3 2740 B12R0.234 C=C(C)CCOCCOCCNC 34a_100000228057_100000730704 [0,1,0,0,0,0|2,0,0]=3 2741 B12R0.234 C=C(C)CCOCCOCCOC 34a_100000764851_100000695917 [0,1,0,0,0,0|1,0,0]=2 2742 B12R0.234 C=C(C)CCOCCOCCOC 34a_100011215163_100000730704 [0,1,0,0,0,0|1,0,0]=2 2743 B12R0.234 C=C(C)CCOCCOCCOC 7a_100011215163_100000730704 [0,1,0,0,0,0|1,0,0]=2 2744 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,1,0,0,0,0|2,1,0]=4 2745 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,1,0,0,0,0|2,1,0]=4 2746 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,1,0,0,0,0|2,1,0]=4 2747 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,1,0,0,0,0|2,1,0]=4 2748 B12R0.234 C=C(C)CCSCCOCCOC 62a_100000695917_100000730704 [0,1,0,0,0,0|1,1,0]=3 2749 B12R0.234 C=C(C)CCSCCOCCOC 62a_100000730704_100000695917 [0,1,0,0,0,0|1,1,0]=3 2750 B12R0.234 C=C(C)CNCCCOCCOC 2230a_100000206027_100000748629 [0,1,0,0,0,0|3,0,0]=4 2751 B12R0.234 C=C(C)CNCCCOCCOC 34a_100000206027_100000748629 [0,1,0,0,0,0|3,0,0]=4 2752 B12R0.234 C=C(C)COCCCOCCOC 34a_100000210245_100011216529 [0,1,0,0,0,0|3,0,0]=4 2753 B12R0.234 C=C(C)CSCCCOCCOC 62a_100000748629_100011216529 [0,1,0,0,0,0|3,0,0]=4 2754 B12R0.234 C=C(C)CSCCCOCCOC 62a_100011216529_100000211660 [0,1,0,0,0,0|3,0,0]=4 2755 B12R0.234 CC(C)CCCCCOCCON 34a_100000700252_100000210682 [0,1,0,0,0,0|3,0,0]=4 2756 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|3,0,0]=4 2757 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|3,0,0]=4 2758 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,1,0,0,0,0|3,0,0]=4 2760 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,1,0,0,0,0|3,0,0]=4 2761 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,1,0,0,0,0|3,0,0]=4 2762 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,1,0,0,0,0|3,0,0]=4 2763 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,1,0,0,0,0|3,0,0]=4 2764 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|3,0,0]=4 2765 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|3,0,0]=4 2766 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,1,0,0,0,0|3,0,0]=4 2767 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,1,0,0,0,0|3,0,0]=4 2768 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,1,0,0,0,0|3,0,0]=4 2769 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,1,0,0,0,0|3,0,0]=4 2770 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,1,0,0,0,0|3,0,0]=4 2771 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,1,0,0,0,0|3,0,0]=4 2772 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,1,0,0,0,0|3,0,0]=4 2773 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000210238_100000761012 [0,1,0,0,0,0|2,0,1]=4 2774 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000753907_100000743108 [0,1,0,0,0,0|2,0,1]=4 2775 B12R0.234 CCCCOCCOCC=C(C)C 7a_100000210238_100000761012 [0,1,0,0,0,0|2,0,1]=4 2776 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 2777 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,1,0,0,0,0|2,0,0]=3 2778 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 2779 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,1,0,0,0,0|3,0,0]=4 2780 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,1,0,0,0,0|3,0,0]=4 2781 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,1,0,0,0,0|3,0,0]=4 2782 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,1,0,0,0,0|3,0,0]=4 2783 B12R0.234 CCCCOCCOCCC(C)Br 34a_100009893172_100000743108 [0,1,0,0,0,0|2,0,0]=3 2784 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210238_100000210312 [0,1,0,0,0,0|2,0,0]=3 2785 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210254_100000743108 [0,1,0,0,0,0|2,0,0]=3 2786 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210238_100000210626 [0,1,0,0,0,0|2,0,0]=3 2787 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210254_100000743108 [0,1,0,0,0,0|2,0,0]=3 2788 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,1,0,0,0,0|2,0,0]=3 2789 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,1,0,0,0,0|2,0,0]=3 2790 B12R0.234 CCCCOCCOCCC(F)F 34a_100103093639_100000743108 [0,1,0,0,0,0|3,0,0]=4 2791 B12R0.234 CCCCOCCOCCN(C)C 7a_100000210238_100000755713 [0,1,0,0,0,0|2,0,0]=3 2792 B12R0.234 CCCCOCCOCC[C@@H](C)N 34a_100000706166_100000743108 [0,1,0,0,0,0|2,0,0]=3 2793 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,1,0,0,0,0|3,0,0]=4 2794 B12R0.234 CCCCOCCOCOC(C)C 34a_100000210238_100000709892 [0,1,0,0,0,0|3,0,0]=4 2795 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,1,0,0,0,0|2,1,0]=4 2796 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,1,0,0,0,0|2,1,0]=4 2797 B12R0.234 CCCCOCCSCCC(C)C 62a_100000210312_100000743108 [0,1,0,0,0,0|2,1,0]=4 2798 B12R0.234 CCCCOCCSCCC(C)C 62a_100000743108_100000210312 [0,1,0,0,0,0|2,1,0]=4 2799 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,1,0,0,0,0|2,1,0]=4 2800 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,1,0,0,0,0|2,1,0]=4 2801 B12R0.234 CCCCOCCSCCN(C)C 62a_100000743108_100000755713 [0,1,0,0,0,0|2,1,0]=4 2802 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,1,0,0,0,0|2,1,0]=4 2803 B12R0.234 CCCCSCCOCCC(C)C 34a_200000230436_100000210312 [0,1,0,0,0,0|2,1,0]=4 2804 B12R0.234 CCCCSCCOCCC(C)C 7a_200000230436_100000210626 [0,1,0,0,0,0|2,1,0]=4 2805 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,1,0,0,0,0|2,1,0]=4 2806 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,1,0,0,0,0|2,1,0]=4 2807 B12R0.234 CCCCSCCOCCN(C)C 7a_200000230436_100000755713 [0,1,0,0,0,0|2,1,0]=4 2808 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,1,0,0,0,0|3,0,0]=4 2809 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,1,0,0,0,0|3,0,0]=4 2810 B12R0.234 CNCCOCCOCC=C(C)C 34a_100000228057_100000761012 [0,1,0,0,0,0|2,0,1]=4 2811 B12R0.234 CNCCOCCOCCC(=O)N 34a_100000228057_100000731001 [0,1,0,0,0,0|3,0,0]=4 2812 B12R0.234 CNCCOCCOCCC(C)C 34a_100000228057_100000210312 [0,1,0,0,0,0|2,0,0]=3 2813 B12R0.234 CNCCOCCOCCC(C)O 34a_100000228057_100012276601 [0,1,0,0,0,0|2,0,0]=3 2814 B12R0.234 CNCCOCCOCOC(=O)C 34a_100000228057_100009813279 [0,1,0,0,0,0|3,0,0]=4 2815 B12R0.234 CNCCOCCOCOC(C)C 34a_100000228057_100000709892 [0,1,0,0,0,0|3,0,0]=4 2816 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [0,1,0,0,0,0|3,0,0]=4 2817 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [0,1,0,0,0,0|3,0,0]=4 2818 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [0,1,0,0,0,0|3,0,0]=4 2819 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,1,0,0,0,0|3,0,0]=4 2820 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,1,0,0,0,0|3,0,0]=4 2821 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [0,1,0,0,0,0|3,0,0]=4 2822 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [0,1,0,0,0,0|3,0,0]=4 2823 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [0,1,0,0,0,0|3,0,0]=4 2824 B12R0.234 COCCOCCCCCB(O)O 34a_100000210237_200009817188 [0,1,0,0,0,0|3,0,0]=4 2825 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,0,0,0,0|3,0,0]=4 2826 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,0,0,0,0|3,0,0]=4 2827 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,0,0,0,0|3,0,0]=4 2828 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,0,0,0,0|3,0,0]=4 2829 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [0,1,0,0,0,0|2,0,0]=3 2830 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [0,1,0,0,0,0|2,0,0]=3 2831 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [0,1,0,0,0,0|2,0,0]=3 2832 B12R0.234 COCCOCCCCNC(C)C 34a_100011521146_100011201679 [0,1,0,0,0,0|3,0,0]=4 2833 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,1,0,0,0,0|3,0,0]=4 2834 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,1,0,0,0,0|3,0,0]=4 2835 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,1,0,0,0,0|3,0,0]=4 2836 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,1,0,0,0,0|3,0,0]=4 2837 B12R0.234 COCCOCCCNCC(C)C 2230a_100000206027_100000210760 [0,1,0,0,0,0|3,0,0]=4 2838 B12R0.234 COCCOCCCNCC(C)C 2230a_100000210953_100011216529 [0,1,0,0,0,0|3,0,0]=4 2839 B12R0.234 COCCOCCCNCC(C)C 270004a_100000206027_100000210432 [0,1,0,0,0,0|3,0,0]=4 2840 B12R0.234 COCCOCCCNCC(C)C 34a_100000206027_100000210624 [0,1,0,0,0,0|3,0,0]=4 2841 B12R0.234 COCCOCCCNCC(C)C 34a_100000210953_100011216529 [0,1,0,0,0,0|3,0,0]=4 2842 B12R0.234 COCCOCCCNCC(C)O 2230a_100000206027_100011218427 [0,1,0,0,0,0|3,0,0]=4 2843 B12R0.234 COCCOCCCNCC(C)O 2230a_100000210904_100011216529 [0,1,0,0,0,0|3,0,0]=4 2844 B12R0.234 COCCOCCCNCC(C)O 34a_100000206027_100011218427 [0,1,0,0,0,0|3,0,0]=4 2845 B12R0.234 COCCOCCCNCC(C)O 34a_100000210904_100011216529 [0,1,0,0,0,0|3,0,0]=4 2846 B12R0.234 COCCOCCCNC[C@@H](C)O 2230a_100000206027_100009817552 [0,1,0,0,0,0|3,0,0]=4 2847 B12R0.234 COCCOCCCNC[C@@H](C)O 34a_100000206027_100009817552 [0,1,0,0,0,0|3,0,0]=4 2848 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,1,0,0,0,0|3,0,0]=4 2849 B12R0.234 COCCOCCCOCC(C)Br 34a_100012180447_100011216529 [0,1,0,0,0,0|3,0,0]=4 2850 B12R0.234 COCCOCCCOCC(C)C 34a_100000210257_100011216529 [0,1,0,0,0,0|3,0,0]=4 2851 B12R0.234 COCCOCCCOCC(C)F 34a_100015925927_100011216529 [0,1,0,0,0,0|3,0,0]=4 2852 B12R0.234 COCCOCCCOC[C@@H](C)Cl 34a_100016084084_100011216529 [0,1,0,0,0,0|3,0,0]=4 2853 B12R0.234 COCCOCCCOC[C@@H](C)N 34a_100000737577_100011216529 [0,1,0,0,0,0|3,0,0]=4 2854 B12R0.234 COCCOCCCSCC(C)C 62a_100000210624_100011216529 [0,1,0,0,0,0|3,0,0]=4 2855 B12R0.234 COCCOCCCSCC(C)C 62a_100011216529_100000210760 [0,1,0,0,0,0|3,0,0]=4 2856 B12R0.234 COCCOCCCSCC(C)O 62a_100011216529_100011218427 [0,1,0,0,0,0|3,0,0]=4 2857 B12R0.234 COCCOCCCSCC(C)O 62a_100011218427_100011216529 [0,1,0,0,0,0|3,0,0]=4 2858 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100009817552_100011216529 [0,1,0,0,0,0|3,0,0]=4 2859 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100011216529_100009817552 [0,1,0,0,0,0|3,0,0]=4 2860 B12R0.234 COCCOCCNCC=C(C)C 2230a_100000745349_100000761012 [0,1,0,0,0,0|2,0,1]=4 2861 B12R0.234 COCCOCCNCC=C(C)C 34a_100000718196_100000695917 [0,1,0,0,0,0|2,0,1]=4 2862 B12R0.234 COCCOCCNCC=C(C)C 34a_100000745349_100000761012 [0,1,0,0,0,0|2,0,1]=4 2863 B12R0.234 COCCOCCNCCC(=O)N 2230a_100000745349_100000744528 [0,1,0,0,0,0|3,0,0]=4 2864 B12R0.234 COCCOCCNCCC(=O)N 34a_100000745349_100000731001 [0,1,0,0,0,0|3,0,0]=4 2865 B12R0.234 COCCOCCNCCC(C)C 2230a_100000745349_100000210312 [0,1,0,0,0,0|2,0,0]=3 2866 B12R0.234 COCCOCCNCCC(C)C 269862a_100000745349_100000185833 [0,1,0,0,0,0|2,0,0]=3 2867 B12R0.234 COCCOCCNCCC(C)C 34a_100000745349_100000210312 [0,1,0,0,0,0|2,0,0]=3 2868 B12R0.234 COCCOCCNCCC(C)O 2230a_100000745349_100012276601 [0,1,0,0,0,0|2,0,0]=3 2869 B12R0.234 COCCOCCNCCC(C)O 2230a_200000755665_100000695917 [0,1,0,0,0,0|2,0,0]=3 2870 B12R0.234 COCCOCCNCCC(C)O 34a_100000745349_100012276601 [0,1,0,0,0,0|2,0,0]=3 2871 B12R0.234 COCCOCCNCOC(=O)C 34a_100000745349_100009813279 [0,1,0,0,0,0|3,0,0]=4 2872 B12R0.234 COCCOCCNCOC(C)C 2230a_100000745349_100000709892 [0,1,0,0,0,0|3,0,0]=4 2873 B12R0.234 COCCOCCNCOC(C)C 34a_100000745349_100000709892 [0,1,0,0,0,0|3,0,0]=4 2874 B12R0.234 COCCOCCOCC=C(C)C 34a_100000753907_100000695917 [0,1,0,0,0,0|1,0,1]=3 2875 B12R0.234 COCCOCCOCC=C(C)C 34a_100011215163_100000761012 [0,1,0,0,0,0|1,0,1]=3 2876 B12R0.234 COCCOCCOCC=C(C)C 7a_100011215163_100000761012 [0,1,0,0,0,0|1,0,1]=3 2877 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,1,0,0,0,0|1,0,0]=2 2878 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,1,0,0,0,0|1,0,0]=2 2879 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,1,0,0,0,0|1,0,0]=2 2880 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,1,0,0,0,0|1,0,0]=2 2881 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,1,0,0,0,0|1,0,0]=2 2882 B12R0.234 COCCOCCOCCC(=O)N 34a_100000757172_100000695917 [0,1,0,0,0,0|2,0,0]=3 2883 B12R0.234 COCCOCCOCCC(=O)N 34a_100011215163_100000731001 [0,1,0,0,0,0|2,0,0]=3 2884 B12R0.234 COCCOCCOCCC(=O)N 7a_100000757172_100000695917 [0,1,0,0,0,0|2,0,0]=3 2885 B12R0.234 COCCOCCOCCC(=O)N 7a_100011215163_100000744528 [0,1,0,0,0,0|2,0,0]=3 2886 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,1,0,0,0,0|1,0,0]=2 2887 B12R0.234 COCCOCCOCCC(C)Br 34a_100009893172_100000695917 [0,1,0,0,0,0|1,0,0]=2 2888 B12R0.234 COCCOCCOCCC(C)C 34a_100000210254_100000695917 [0,1,0,0,0,0|1,0,0]=2 2889 B12R0.234 COCCOCCOCCC(C)C 34a_100011215163_100000210312 [0,1,0,0,0,0|1,0,0]=2 2890 B12R0.234 COCCOCCOCCC(C)C 7a_100000210254_100000695917 [0,1,0,0,0,0|1,0,0]=2 2891 B12R0.234 COCCOCCOCCC(C)C 7a_100011215163_100000210626 [0,1,0,0,0,0|1,0,0]=2 2892 B12R0.234 COCCOCCOCCC(C)O 34a_100011215163_100012276601 [0,1,0,0,0,0|1,0,0]=2 2893 B12R0.234 COCCOCCOCCC(C)O 7a_100011215163_100012276601 [0,1,0,0,0,0|1,0,0]=2 2894 B12R0.234 COCCOCCOCCC(F)F 34a_100103093639_100000695917 [0,1,0,0,0,0|2,0,0]=3 2895 B12R0.234 COCCOCCOCCN(C)C 2230a_100102631434_100013367474 [0,1,0,0,0,0|1,0,0]=2 2896 B12R0.234 COCCOCCOCCN(C)C 2230a_200000716983_200000210301 [0,1,0,0,0,0|1,0,0]=2 2897 B12R0.234 COCCOCCOCCN(C)C 269982a_100102631434_100013367474 [0,1,0,0,0,0|1,0,0]=2 2898 B12R0.234 COCCOCCOCCN(C)C 269982a_200000716983_200000210301 [0,1,0,0,0,0|1,0,0]=2 2899 B12R0.234 COCCOCCOCCN(C)C 34a_200000716983_200000210301 [0,1,0,0,0,0|1,0,0]=2 2900 B12R0.234 COCCOCCOCCN(C)C 7a_100011215163_100000755713 [0,1,0,0,0,0|1,0,0]=2 2901 B12R0.234 COCCOCCOCCN(C)[13CH3] 2230a_200000716983_200025704644 [0,1,0,0,0,0|1,0,0]=2 2902 B12R0.234 COCCOCCOCCN(C)[13CH3] 269982a_200000716983_200025704644 [0,1,0,0,0,0|1,0,0]=2 2903 B12R0.234 COCCOCCOCCN(C)[13CH3] 34a_200000716983_200025704644 [0,1,0,0,0,0|1,0,0]=2 2904 B12R0.234 COCCOCCOCC[C@@H](C)N 34a_100000706166_100000695917 [0,1,0,0,0,0|1,0,0]=2 2905 B12R0.234 COCCOCCOCOC(=O)C 34a_100011215163_100009813279 [0,1,0,0,0,0|2,0,0]=3 2906 B12R0.234 COCCOCCOCOC(C)C 34a_100011215163_100000709892 [0,1,0,0,0,0|2,0,0]=3 2907 B12R0.234 COCCOCCSCC=C(C)C 62a_100000695917_100000761012 [0,1,0,0,0,0|1,1,1]=4 2908 B12R0.234 COCCOCCSCC=C(C)C 62a_100000761012_100000695917 [0,1,0,0,0,0|1,1,1]=4 2909 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,1,0,0,0,0|1,1,0]=3 2910 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,1,0,0,0,0|1,1,0]=3 2911 B12R0.234 COCCOCCSCCC(=O)N 62a_100000695917_100000744528 [0,1,0,0,0,0|2,1,0]=4 2912 B12R0.234 COCCOCCSCCC(=O)N 62a_100000744528_100000695917 [0,1,0,0,0,0|2,1,0]=4 2913 B12R0.234 COCCOCCSCCC(C)C 62a_100000210312_100000695917 [0,1,0,0,0,0|1,1,0]=3 2914 B12R0.234 COCCOCCSCCC(C)C 62a_100000695917_100000210312 [0,1,0,0,0,0|1,1,0]=3 2915 B12R0.234 COCCOCCSCCC(C)O 62a_100000695917_100012276601 [0,1,0,0,0,0|1,1,0]=3 2916 B12R0.234 COCCOCCSCCC(C)O 62a_100012276601_100000695917 [0,1,0,0,0,0|1,1,0]=3 2917 B12R0.234 COCCOCCSCCN(C)C 62a_100000695917_100000755713 [0,1,0,0,0,0|1,1,0]=3 2918 B12R0.234 COCCOCCSCOC(=O)C 62a_100000076356_100000695917 [0,1,0,0,0,0|2,1,0]=4 2919 B12R0.234 COCCOCCSCOC(=O)C 62a_100000695917_100000076356 [0,1,0,0,0,0|2,1,0]=4 2920 B12R0.234 COCCOCCSCOC(C)C 62a_100000695917_100000709892 [0,1,0,0,0,0|2,1,0]=4 2921 B12R0.234 COCCOCCSCOC(C)C 62a_100000709892_100000695917 [0,1,0,0,0,0|2,1,0]=4 2922 B12R0.234 COCCOCNCCCC(C)C 2230a_200000737386_100000231047 [0,1,0,0,0,0|3,0,0]=4 2923 B12R0.234 COCCOCNCCCS(=O)C 2230a_200000753449_100000231047 [0,1,0,0,0,0|2,1,0]=4 2924 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,1,0,0,0,0|3,0,0]=4 2925 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,1,0,0,0,0|3,0,0]=4 2926 B12R0.234 COCCOCSCCCC(C)C 62a_100000231047_100011214892 [0,1,0,0,0,0|3,0,0]=4 2927 B12R0.234 COCCOCSCCCC(C)C 62a_100011214892_100000231047 [0,1,0,0,0,0|3,0,0]=4 2928 B12R0.234 COCCOCSCCCC(C)O 62a_100000231047_200000718107 [0,1,0,0,0,0|3,0,0]=4 2929 B12R0.234 COCCOCSCCCC(C)O 62a_200000718107_100000231047 [0,1,0,0,0,0|3,0,0]=4 2930 B12R0.234 COCCOCSCCCN(C)C 62a_100000231047_100000757444 [0,1,0,0,0,0|3,0,0]=4 2931 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [0,1,0,0,0,0|2,1,0]=4 2932 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [0,1,0,0,0,0|2,1,0]=4 2933 B12R0.234 CSCCOCCCCCC(C)C 34a_100000230434_100000210682 [0,1,0,0,0,0|2,1,0]=4 2934 B12R0.234 CSCCOCCCCCC(C)C 34a_100011995859_100000212216 [0,1,0,0,0,0|2,1,0]=4 2935 B12R0.234 CSCCOCCCCCC(C)C 7a_100000230434_100000210682 [0,1,0,0,0,0|2,1,0]=4 2936 B12R0.234 CSCCOCCCCCC(C)C 7a_100011995859_100000212216 [0,1,0,0,0,0|2,1,0]=4 2937 B12R0.248 C#CCCCCCOCC(C)OC 34a_100000690652_100012094781 [0,1,0,0,0,0|2,0,1]=4 2938 B12R0.248 C#CCCOCCOCC(=O)OC 34a_100011215631_100000090808 [0,1,0,0,0,0|1,0,2]=4 2939 B12R0.248 C/C=C/COCCOCC(=O)OC 34a_100016270725_100000090808 [0,1,0,0,0,0|1,0,2]=4 2940 B12R0.248 C=C(C#N)COCCOCCOC 34a_100011215163_100000694840 [0,1,0,0,0,0|2,0,1]=4 2941 B12R0.248 C=CC(C)COCCOCCCC 34a_100011215527_100000743108 [0,1,0,0,0,0|2,0,1]=4 2942 B12R0.248 C=CC(C)COCCOCCCC 7a_100011215527_100000743108 [0,1,0,0,0,0|2,0,1]=4 2943 B12R0.248 C=CC(C)COCCOCCOC 34a_100011215527_100000695917 [0,1,0,0,0,0|1,0,1]=3 2944 B12R0.248 C=CC(C)COCCOCCOC 7a_100011215527_100000695917 [0,1,0,0,0,0|1,0,1]=3 2945 B12R0.248 C=CC(O)CNCCOCCOC 2230a_100000745349_100000730141 [0,1,0,0,0,0|2,0,1]=4 2946 B12R0.248 C=CC(O)CNCCOCCOC 34a_100000745349_100000730141 [0,1,0,0,0,0|2,0,1]=4 2947 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,1,0,0,0,0|2,0,1]=4 2948 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,1,0,0,0,0|2,0,1]=4 2949 B12R0.248 C=CC(O)COCCOCCNC 34a_100000228057_100000730141 [0,1,0,0,0,0|2,0,1]=4 2950 B12R0.248 C=CC(O)COCCOCCOC 34a_100011215163_100000730141 [0,1,0,0,0,0|1,0,1]=3 2951 B12R0.248 C=CC(O)COCCOCCOC 7a_100011215163_100000730141 [0,1,0,0,0,0|1,0,1]=3 2952 B12R0.248 C=CC(O)CSCCOCCOC 62a_100000695917_100000730141 [0,1,0,0,0,0|1,1,1]=4 2953 B12R0.248 C=CC(O)CSCCOCCOC 62a_100000730141_100000695917 [0,1,0,0,0,0|1,1,1]=4 2954 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [0,1,0,0,0,0|2,0,1]=4 2955 B12R0.248 C=CCCOCCOCC(=O)OC 34a_100011205117_100000090808 [0,1,0,0,0,0|1,0,2]=4 2956 B12R0.248 C=C[C@H](N)COCCOCCCC 34a_100016989147_100000743108 [0,1,0,0,0,0|2,0,1]=4 2957 B12R0.248 C=C[C@H](N)COCCOCCOC 34a_100016989147_100000695917 [0,1,0,0,0,0|1,0,1]=3 2958 B12R0.248 CC#CCOCCOCC(=O)OC 34a_100000761923_100000090808 [0,1,0,0,0,0|1,0,2]=4 2959 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,1,0,0,0,0|1,0,1]=3 2960 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,1,0,0,0,0|1,0,1]=3 2961 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,1,0,0,0,0|1,0,1]=3 2962 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000695917_100000747405 [0,1,0,0,0,0|1,1,1]=4 2963 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000747405_100000695917 [0,1,0,0,0,0|1,1,1]=4 2964 B12R0.248 CCC(C)CCNCOCCOC 2230a_100020591266_100000231047 [0,1,0,0,0,0|3,0,0]=4 2965 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,1,0,0,0,0|3,0,0]=4 2966 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,1,0,0,0,0|3,0,0]=4 2967 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,1,0,0,0,0|3,0,0]=4 2968 B12R0.248 CCC(C)CNCCOCCOC 2230a_100000745349_100000748023 [0,1,0,0,0,0|2,0,0]=3 2969 B12R0.248 CCC(C)CNCCOCCOC 2230a_100020588543_100000695917 [0,1,0,0,0,0|2,0,0]=3 2970 B12R0.248 CCC(C)CNCCOCCOC 270004a_100000745349_100000243153 [0,1,0,0,0,0|2,0,0]=3 2971 B12R0.248 CCC(C)CNCCOCCOC 34a_100000745349_100000748023 [0,1,0,0,0,0|2,0,0]=3 2972 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,1,0,0,0,0|3,0,0]=4 2973 B12R0.248 CCC(C)COCCOCCNC 34a_100000228057_100000748023 [0,1,0,0,0,0|2,0,0]=3 2974 B12R0.248 CCC(C)COCCOCCOC 34a_100011215163_100000748023 [0,1,0,0,0,0|1,0,0]=2 2975 B12R0.248 CCC(C)COCCOCCOC 7a_100011215163_100000748023 [0,1,0,0,0,0|1,0,0]=2 2976 B12R0.248 CCC(C)CSCCOCCOC 62a_100000695917_100000748023 [0,1,0,0,0,0|1,1,0]=3 2977 B12R0.248 CCC(C)CSCCOCCOC 62a_100000748023_100000695917 [0,1,0,0,0,0|1,1,0]=3 2978 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000206027_100000758301 [0,1,0,0,0,0|3,0,0]=4 2979 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000209981_100011216529 [0,1,0,0,0,0|3,0,0]=4 2980 B12R0.248 CCC(C)NCCCOCCOC 34a_100000206027_100011215416 [0,1,0,0,0,0|3,0,0]=4 2981 B12R0.248 CCC(C)OCCCOCCOC 7a_100000210228_100011216529 [0,1,0,0,0,0|3,0,0]=4 2982 B12R0.248 CCC(C)SCCCOCCOC 62a_100000758301_100011216529 [0,1,0,0,0,0|3,0,0]=4 2983 B12R0.248 CCC(C)SCCCOCCOC 62a_100011216529_100000758301 [0,1,0,0,0,0|3,0,0]=4 2984 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,1,0,0,0,0|3,0,0]=4 2985 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,1,0,0,0,0|3,0,0]=4 2986 B12R0.248 CCC(O)CNCCOCCOC 2230a_100000745349_100011218378 [0,1,0,0,0,0|2,0,0]=3 2987 B12R0.248 CCC(O)CNCCOCCOC 2230a_100011218483_100000695917 [0,1,0,0,0,0|2,0,0]=3 2988 B12R0.248 CCC(O)CNCCOCCOC 34a_100000745349_100011218378 [0,1,0,0,0,0|2,0,0]=3 2989 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,1,0,0,0,0|3,0,0]=4 2990 B12R0.248 CCC(O)COCCOCCNC 34a_100000228057_100011218378 [0,1,0,0,0,0|2,0,0]=3 2991 B12R0.248 CCC(O)COCCOCCOC 34a_100011215163_100011218378 [0,1,0,0,0,0|1,0,0]=2 2992 B12R0.248 CCC(O)COCCOCCOC 7a_100011215163_100011218378 [0,1,0,0,0,0|1,0,0]=2 2993 B12R0.248 CCC(O)CSCCOCCOC 62a_100000695917_100011218378 [0,1,0,0,0,0|1,1,0]=3 2994 B12R0.248 CCC(O)CSCCOCCOC 62a_100011218378_100000695917 [0,1,0,0,0,0|1,1,0]=3 2995 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|3,0,0]=4 2996 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|3,0,0]=4 2997 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|3,0,0]=4 2998 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|3,0,0]=4 2999 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,1,0,0,0,0|3,0,0]=4 3000 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|2,0,1]=4 3001 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|2,0,1]=4 3002 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,1,0,0,0,0|3,0,0]=4 3003 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,1,0,0,0,0|3,0,0]=4 3004 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,1,0,0,0,0|2,0,0]=3 3005 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,1,0,0,0,0|3,0,0]=4 3006 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,1,0,0,0,0|3,0,0]=4 3007 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,1,0,0,0,0|3,0,0]=4 3008 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,1,0,0,0,0|3,0,0]=4 3009 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,1,0,0,0,0|3,0,0]=4 3010 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,0,0,0,0|2,0,1]=4 3011 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,0,0,0,0|2,0,1]=4 3012 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|2,0,1]=4 3013 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|2,0,1]=4 3014 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|2,0,1]=4 3015 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|2,0,1]=4 3016 B12R0.248 CCCCOCCNCC(C)CC 2230a_100020588543_100000743108 [0,1,0,0,0,0|3,0,0]=4 3017 B12R0.248 CCCCOCCNCC(O)CC 2230a_100011218483_100000743108 [0,1,0,0,0,0|3,0,0]=4 3018 B12R0.248 CCCCOCCNC[C@@H](C)OC 2230a_100020591295_100000743108 [0,1,0,0,0,0|2,0,0]=3 3019 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,1,0,0,0,0|2,0,1]=4 3020 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,1,0,0,0,0|2,0,1]=4 3021 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,1,0,0,0,0|2,0,1]=4 3022 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,1,0,0,0,0|2,0,1]=4 3023 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,1,0,0,0,0|2,0,1]=4 3024 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,1,0,0,0,0|2,0,1]=4 3025 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,1,0,0,0,0|2,0,1]=4 3026 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,1,0,0,0,0|2,0,1]=4 3027 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,1,0,0,0,0|2,0,1]=4 3028 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,1,0,0,0,0|2,0,1]=4 3029 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,0,0,0,0|1,0,1]=3 3030 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,0,0,0,0|1,0,1]=3 3031 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,0,0,0,0|1,0,1]=3 3032 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,0,0,0,0|1,0,1]=3 3033 B12R0.248 CCCCOCCOCC(C)CC 34a_100000210238_100000748023 [0,1,0,0,0,0|2,0,0]=3 3034 B12R0.248 CCCCOCCOCC(C)CC 7a_100000210238_100000748023 [0,1,0,0,0,0|2,0,0]=3 3035 B12R0.248 CCCCOCCOCC(C)CN 34a_100000744482_100000743108 [0,1,0,0,0,0|3,0,0]=4 3036 B12R0.248 CCCCOCCOCC(C)OC 34a_100000690652_100000743108 [0,1,0,0,0,0|1,0,0]=2 3037 B12R0.248 CCCCOCCOCC(Cl)CCl 34a_100000033668_100000743108 [0,1,0,0,0,0|3,0,0]=4 3038 B12R0.248 CCCCOCCOCC(O)CC 34a_100000210238_100011218378 [0,1,0,0,0,0|2,0,0]=3 3039 B12R0.248 CCCCOCCOCC(O)CC 7a_100000210238_100011218378 [0,1,0,0,0,0|2,0,0]=3 3040 B12R0.248 CCCCOCCOCC(O)CO 34a_100000210238_100011219619 [0,1,0,0,0,0|3,0,0]=4 3041 B12R0.248 CCCCOCCOCC(O)CO 7a_100000210238_100011219619 [0,1,0,0,0,0|3,0,0]=4 3042 B12R0.248 CCCCOCCOC[C@@H](C)CC 34a_100000210238_100009816398 [0,1,0,0,0,0|2,0,0]=3 3043 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100000210238_100009816398 [0,1,0,0,0,0|2,0,0]=3 3044 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100009816381_100000743108 [0,1,0,0,0,0|2,0,0]=3 3045 B12R0.248 CCCCOCCOC[C@@H](C)CO 34a_100000210238_100000059175 [0,1,0,0,0,0|3,0,0]=4 3046 B12R0.248 CCCCOCCOC[C@@H](C)CO 7a_100000210238_100000059175 [0,1,0,0,0,0|3,0,0]=4 3047 B12R0.248 CCCCOCCOC[C@@H](O)CF 34a_100000210238_100015614560 [0,1,0,0,0,0|3,0,0]=4 3048 B12R0.248 CCCCOCCOC[C@@H](O)CF 7a_100000210238_100015614560 [0,1,0,0,0,0|3,0,0]=4 3049 B12R0.248 CCCCOCCOC[C@@H](O)CO 34a_100000210238_100009815848 [0,1,0,0,0,0|3,0,0]=4 3050 B12R0.248 CCCCOCCOC[C@@H](O)CO 7a_100000210238_100009815848 [0,1,0,0,0,0|3,0,0]=4 3051 B12R0.248 CCCCOCCOC[C@H](F)CN 34a_100015665980_100000743108 [0,1,0,0,0,0|3,0,0]=4 3052 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,0,0,0,0|1,1,1]=4 3053 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,0,0,0,0|1,1,1]=4 3054 B12R0.248 CCCCOCCSCC(C)CC 62a_100000743108_100000748023 [0,1,0,0,0,0|2,1,0]=4 3055 B12R0.248 CCCCOCCSCC(C)CC 62a_100000748023_100000743108 [0,1,0,0,0,0|2,1,0]=4 3056 B12R0.248 CCCCOCCSCC(O)CC 62a_100000743108_100011218378 [0,1,0,0,0,0|2,1,0]=4 3057 B12R0.248 CCCCOCCSCC(O)CC 62a_100011218378_100000743108 [0,1,0,0,0,0|2,1,0]=4 3058 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100000743108_100009816398 [0,1,0,0,0,0|2,1,0]=4 3059 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100009816398_100000743108 [0,1,0,0,0,0|2,1,0]=4 3060 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,0,0,0,0|1,1,1]=4 3061 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,0,0,0,0|1,1,1]=4 3062 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,0,0,0,0|1,1,1]=4 3063 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,0,0,0,0|1,1,1]=4 3064 B12R0.248 CCCCSCCOCC(C)CC 34a_200000230436_100000748023 [0,1,0,0,0,0|2,1,0]=4 3065 B12R0.248 CCCCSCCOCC(C)CC 7a_200000230436_100000748023 [0,1,0,0,0,0|2,1,0]=4 3066 B12R0.248 CCCCSCCOCC(O)CC 34a_200000230436_100011218378 [0,1,0,0,0,0|2,1,0]=4 3067 B12R0.248 CCCCSCCOCC(O)CC 7a_200000230436_100011218378 [0,1,0,0,0,0|2,1,0]=4 3068 B12R0.248 CCCCSCCOC[C@@H](C)CC 34a_200000230436_100009816398 [0,1,0,0,0,0|2,1,0]=4 3069 B12R0.248 CCCCSCCOC[C@@H](C)CC 7a_200000230436_100009816398 [0,1,0,0,0,0|2,1,0]=4 3070 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,1,0,0,0,0|3,0,0]=4 3071 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,1,0,0,0,0|3,0,0]=4 3072 B12R0.248 CC[C@H](C)CNCCOCCOC 2230a_100000745349_100009816398 [0,1,0,0,0,0|2,0,0]=3 3073 B12R0.248 CC[C@H](C)CNCCOCCOC 34a_100000745349_100009816398 [0,1,0,0,0,0|2,0,0]=3 3074 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,1,0,0,0,0|3,0,0]=4 3075 B12R0.248 CC[C@H](C)COCCOCCNC 34a_100000228057_100009816398 [0,1,0,0,0,0|2,0,0]=3 3076 B12R0.248 CC[C@H](C)COCCOCCOC 34a_100011215163_100009816398 [0,1,0,0,0,0|1,0,0]=2 3077 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100009816381_100000695917 [0,1,0,0,0,0|1,0,0]=2 3078 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100011215163_100009816398 [0,1,0,0,0,0|1,0,0]=2 3079 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100000695917_100009816398 [0,1,0,0,0,0|1,1,0]=3 3080 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100009816398_100000695917 [0,1,0,0,0,0|1,1,0]=3 3081 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000693194_100000695917 [0,1,0,0,0,0|2,0,1]=4 3082 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000745349_100000183359 [0,1,0,0,0,0|2,0,1]=4 3083 B12R0.248 CNC(=O)CNCCOCCOC 34a_100000745349_100000183359 [0,1,0,0,0,0|2,0,1]=4 3084 B12R0.248 CNC(=O)COCCOCCOC 11a_106832991635_100011214951 [0,1,0,0,0,0|1,0,1]=3 3085 B12R0.248 CNC(=O)COCCOCCOC 1626a_100102657272_100011214951 [0,1,0,0,0,0|1,0,1]=3 3086 B12R0.248 CNC(=O)COCCOCCOC 240690a_100102657272_100011214951 [0,1,0,0,0,0|1,0,1]=3 3087 B12R0.248 CNC(=O)COCCOCCOC 34a_100000750040_100000695917 [0,1,0,0,0,0|1,0,1]=3 3088 B12R0.248 CNC(=O)COCCOCCOC 34a_100011215163_100000183359 [0,1,0,0,0,0|1,0,1]=3 3089 B12R0.248 CNC(=O)COCCOCCOC 527a_100102657272_100011214951 [0,1,0,0,0,0|1,0,1]=3 3090 B12R0.248 CNC(=O)COCCOCCOC 7a_100011215163_100000183359 [0,1,0,0,0,0|1,0,1]=3 3091 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000183359_100000695917 [0,1,0,0,0,0|1,1,1]=4 3092 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000695917_100000183359 [0,1,0,0,0,0|1,1,1]=4 3093 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|2,0,1]=4 3094 B12R0.248 CNCCOCCOCC(=O)NC 34a_100000228057_100000183359 [0,1,0,0,0,0|2,0,1]=4 3095 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,1,0,0,0,0|1,0,1]=3 3096 B12R0.248 CNCCOCCOCC(O)CO 34a_100000228057_100011219619 [0,1,0,0,0,0|3,0,0]=4 3097 B12R0.248 CNCCOCCOC[C@@H](C)CO 34a_100000228057_100000059175 [0,1,0,0,0,0|3,0,0]=4 3098 B12R0.248 CNCCOCCOC[C@@H](O)CF 34a_100000228057_100015614560 [0,1,0,0,0,0|3,0,0]=4 3099 B12R0.248 CNCCOCCOC[C@@H](O)CO 34a_100000228057_100009815848 [0,1,0,0,0,0|3,0,0]=4 3100 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|2,0,1]=4 3101 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|2,0,1]=4 3102 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,1,0,0,0,0|2,0,1]=4 3103 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,0,0,0,0|1,1,1]=4 3104 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,0,0,0,0|1,1,1]=4 3105 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,0,0,0,0|1,1,1]=4 3106 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,0,0,0,0|1,1,1]=4 3107 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,1,0,0,0,0|1,1,1]=4 3108 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,1,0,0,0,0|2,0,1]=4 3109 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,1,0,0,0,0|2,0,1]=4 3110 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,1,0,0,0,0|2,0,1]=4 3111 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,1,0,0,0,0|2,0,1]=4 3112 B12R0.248 COC(=O)COCCOCCON 34a_100000700252_100000090808 [0,1,0,0,0,0|1,0,1]=3 3113 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,1,0,0,0,0|0,0,1]=2 3114 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,1,0,0,0,0|0,0,1]=2 3115 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,1,0,0,0,0|0,1,1]=3 3116 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,1,0,0,0,0|0,1,1]=3 3117 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,1,0,0,0,0|0,2,1]=4 3118 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,1,0,0,0,0|0,2,1]=4 3119 B12R0.248 COC(C)COCCCCCCF 34a_100000690652_100015922095 [0,1,0,0,0,0|3,0,0]=4 3120 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,1,0,0,0,0|3,0,0]=4 3121 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|2,0,1]=4 3122 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|2,0,1]=4 3123 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|2,0,1]=4 3124 B12R0.248 COCCCCCCSC(C)OC 62a_100009879195_100011998445 [0,1,0,0,0,0|3,0,0]=4 3125 B12R0.248 COCCCCCCSC(C)OC 62a_100011998445_100009879195 [0,1,0,0,0,0|3,0,0]=4 3126 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|2,0,1]=4 3127 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|2,0,1]=4 3128 B12R0.248 COCCCCOCCC(C)OC 7a_100000764861_100000730899 [0,1,0,0,0,0|3,0,0]=4 3129 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,0,0,0,0|2,0,1]=4 3130 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,1,0,0,0,0|1,0,1]=3 3131 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,0,0,0,0|1,0,1]=3 3132 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,0,0,0,0|1,0,1]=3 3133 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,0,0,0,0|1,0,1]=3 3134 B12R0.248 COCCOCCCSC(C)OC 62a_100009879195_100011216529 [0,1,0,0,0,0|2,0,0]=3 3135 B12R0.248 COCCOCCCSC(C)OC 62a_100011216529_100009879195 [0,1,0,0,0,0|2,0,0]=3 3136 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,1,0,0,0,0|1,0,1]=3 3137 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,1,0,0,0,0|1,0,1]=3 3138 B12R0.248 COCCOCCNCC(C)CO 34a_100000744482_100000695917 [0,1,0,0,0,0|3,0,0]=4 3139 B12R0.248 COCCOCCNCC(O)CO 2230a_100000745349_100011219619 [0,1,0,0,0,0|3,0,0]=4 3140 B12R0.248 COCCOCCNCC(O)CO 34a_100000745349_100011219619 [0,1,0,0,0,0|3,0,0]=4 3141 B12R0.248 COCCOCCNC[C@@H](C)CO 2230a_100000745349_100000059175 [0,1,0,0,0,0|3,0,0]=4 3142 B12R0.248 COCCOCCNC[C@@H](C)CO 34a_100000745349_100000059175 [0,1,0,0,0,0|3,0,0]=4 3143 B12R0.248 COCCOCCNC[C@@H](C)OC 2230a_100020591295_100000695917 [0,1,0,0,0,0|1,0,0]=2 3144 B12R0.248 COCCOCCNC[C@@H](F)CO 34a_100015665980_100000695917 [0,1,0,0,0,0|3,0,0]=4 3145 B12R0.248 COCCOCCNC[C@@H](O)CF 2230a_100000745349_100015614560 [0,1,0,0,0,0|3,0,0]=4 3146 B12R0.248 COCCOCCNC[C@@H](O)CF 34a_100000745349_100015614560 [0,1,0,0,0,0|3,0,0]=4 3147 B12R0.248 COCCOCCNC[C@@H](O)CO 2230a_100000745349_100009815848 [0,1,0,0,0,0|3,0,0]=4 3148 B12R0.248 COCCOCCNC[C@@H](O)CO 34a_100000745349_100009815848 [0,1,0,0,0,0|3,0,0]=4 3149 B12R0.248 COCCOCCNC[C@H](O)CO 2230a_100020644852_100000695917 [0,1,0,0,0,0|3,0,0]=4 3150 B12R0.248 COCCOCCOCC(=O)CF 1458a_100011214951_100015361967 [0,1,0,0,0,0|2,0,1]=4 3151 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,1,0,0,0,0|0,0,1]=2 3152 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,1,0,0,0,0|0,0,1]=2 3153 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,1,0,0,0,0|0,0,1]=2 3154 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,1,0,0,0,0|0,0,1]=2 3155 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,1,0,0,0,0|0,0,1]=2 3156 B12R0.248 COCCOCCOCC(C)CN 34a_100000744482_100000695917 [0,1,0,0,0,0|2,0,0]=3 3157 B12R0.248 COCCOCCOCC(C)OC 34a_100000690652_100000695917 [0,1,0,0,0,0|0,0,0]=1 3158 B12R0.248 COCCOCCOCC(Cl)CCl 34a_100000033668_100000695917 [0,1,0,0,0,0|2,0,0]=3 3159 B12R0.248 COCCOCCOCC(O)CO 34a_100011215163_100011219619 [0,1,0,0,0,0|2,0,0]=3 3160 B12R0.248 COCCOCCOCC(O)CO 7a_100011215163_100011219619 [0,1,0,0,0,0|2,0,0]=3 3161 B12R0.248 COCCOCCOC[C@@H](C)CO 34a_100011215163_100000059175 [0,1,0,0,0,0|2,0,0]=3 3162 B12R0.248 COCCOCCOC[C@@H](C)CO 7a_100011215163_100000059175 [0,1,0,0,0,0|2,0,0]=3 3163 B12R0.248 COCCOCCOC[C@@H](O)CF 34a_100011215163_100015614560 [0,1,0,0,0,0|2,0,0]=3 3164 B12R0.248 COCCOCCOC[C@@H](O)CF 7a_100011215163_100015614560 [0,1,0,0,0,0|2,0,0]=3 3165 B12R0.248 COCCOCCOC[C@@H](O)CO 34a_100011215163_100009815848 [0,1,0,0,0,0|2,0,0]=3 3166 B12R0.248 COCCOCCOC[C@@H](O)CO 7a_100011215163_100009815848 [0,1,0,0,0,0|2,0,0]=3 3167 B12R0.248 COCCOCCOC[C@H](F)CN 34a_100015665980_100000695917 [0,1,0,0,0,0|2,0,0]=3 3168 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,1,0,0,0,0|0,1,1]=3 3169 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,1,0,0,0,0|0,1,1]=3 3170 B12R0.248 COCCOCCSCC(O)CO 62a_100000695917_100011219619 [0,1,0,0,0,0|2,1,0]=4 3171 B12R0.248 COCCOCCSCC(O)CO 62a_100011219619_100000695917 [0,1,0,0,0,0|2,1,0]=4 3172 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000059175_100000695917 [0,1,0,0,0,0|2,1,0]=4 3173 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000695917_100000059175 [0,1,0,0,0,0|2,1,0]=4 3174 B12R0.248 COCCOCCSC[C@@H](O)CF 62a_100000695917_100015614560 [0,1,0,0,0,0|2,1,0]=4 3175 B12R0.248 COCCOCCSC[C@@H](O)CF 62a_100015614560_100000695917 [0,1,0,0,0,0|2,1,0]=4 3176 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100000695917_100009815848 [0,1,0,0,0,0|2,1,0]=4 3177 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100009815848_100000695917 [0,1,0,0,0,0|2,1,0]=4 3178 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [0,1,0,0,0,0|2,0,1]=4 3179 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [0,1,0,0,0,0|2,0,1]=4 3180 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,0,0,0,0|1,1,1]=4 3181 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,0,0,0,0|1,1,1]=4 3182 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,1,0,0,0,0|0,1,1]=3 3183 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,1,0,0,0,0|0,1,1]=3 3184 B12R1.8 BrCCCOCC1CCCCO1 34a_100011217188_100000211543 [0,0,0,1,0,0|3,0,0]=4 3185 B12R1.8 BrCCCOCC1CCCOC1 34a_100011217188_100000741521 [0,0,0,1,0,0|3,0,0]=4 3186 B12R1.8 C#CCCNC[C@H]1COCCO1 2230a_100010981119_100000688953 [0,0,0,1,0,0|2,0,1]=4 3187 B12R1.8 C#CCCNC[C@H]1COCCO1 34a_100010981119_100000688953 [0,0,0,1,0,0|2,0,1]=4 3188 B12R1.8 C#CCCOCC1CCCCO1 34a_100000211370_100000688953 [0,0,0,1,0,0|2,0,1]=4 3189 B12R1.8 C#CCCOCC1CCCCO1 34a_100011215631_100000211543 [0,0,0,1,0,0|2,0,1]=4 3190 B12R1.8 C#CCCOCC1CCCCO1 7a_100000211370_100000688953 [0,0,0,1,0,0|2,0,1]=4 3191 B12R1.8 C#CCCOCC1CCCOC1 34a_100000741520_100000688953 [0,0,0,1,0,0|2,0,1]=4 3192 B12R1.8 C#CCCOCC1CCCOC1 34a_100011215631_100000741521 [0,0,0,1,0,0|2,0,1]=4 3193 B12R1.8 C#CCCOC[C@@H]1CNCCO1 34a_100015189573_100000688953 [0,0,0,1,0,0|2,0,1]=4 3194 B12R1.8 C#CCCOC[C@@H]1COCCN1 34a_100000717676_100000688953 [0,0,0,1,0,0|2,0,1]=4 3195 B12R1.8 C#CCCOC[C@H]1COCCO1 34a_100009875890_100000688953 [0,0,0,1,0,0|1,0,1]=3 3196 B12R1.8 C/C=C/CNC[C@H]1COCCO1 34a_100010981119_100102629194 [0,0,0,1,0,0|2,0,1]=4 3197 B12R1.8 C/C=C/COCC1CCCCO1 34a_100000211370_100102629194 [0,0,0,1,0,0|2,0,1]=4 3198 B12R1.8 C/C=C/COCC1CCCCO1 34a_100016270725_100000211543 [0,0,0,1,0,0|2,0,1]=4 3199 B12R1.8 C/C=C/COCC1CCCCO1 7a_100000211370_100102629194 [0,0,0,1,0,0|2,0,1]=4 3200 B12R1.8 C/C=C/COCC1CCCOC1 34a_100000741520_100102629194 [0,0,0,1,0,0|2,0,1]=4 3201 B12R1.8 C/C=C/COCC1CCCOC1 34a_100016270725_100000741521 [0,0,0,1,0,0|2,0,1]=4 3202 B12R1.8 C/C=C/COC[C@@H]1CNCCO1 34a_100015189573_100102629194 [0,0,0,1,0,0|2,0,1]=4 3203 B12R1.8 C/C=C/COC[C@@H]1COCCN1 34a_100000717676_100102629194 [0,0,0,1,0,0|2,0,1]=4 3204 B12R1.8 C/C=C/COC[C@H]1COCCO1 34a_100009875890_100102629194 [0,0,0,1,0,0|1,0,1]=3 3205 B12R1.8 C=CCCNC[C@H]1COCCO1 2230a_100010981119_100000754431 [0,0,0,1,0,0|2,0,1]=4 3206 B12R1.8 C=CCCNC[C@H]1COCCO1 34a_100010981119_100000754431 [0,0,0,1,0,0|2,0,1]=4 3207 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,0,0,1,0,0|2,0,1]=4 3208 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,0,0,1,0,0|2,0,1]=4 3209 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,0,0,1,0,0|2,0,1]=4 3210 B12R1.8 C=CCCOCC1CCCOC1 34a_100000741520_100000754431 [0,0,0,1,0,0|2,0,1]=4 3211 B12R1.8 C=CCCOCC1CCCOC1 34a_100011205117_100000741521 [0,0,0,1,0,0|2,0,1]=4 3212 B12R1.8 C=CCCOC[C@@H]1CNCCO1 34a_100015189573_100000754431 [0,0,0,1,0,0|2,0,1]=4 3213 B12R1.8 C=CCCOC[C@@H]1COCCN1 34a_100000717676_100000754431 [0,0,0,1,0,0|2,0,1]=4 3214 B12R1.8 C=CCCOC[C@H]1COCCO1 34a_100009875890_100000754431 [0,0,0,1,0,0|1,0,1]=3 3215 B12R1.8 CC#CCNC[C@H]1COCCO1 2230a_100010981119_100000748600 [0,0,0,1,0,0|2,0,1]=4 3216 B12R1.8 CC#CCNC[C@H]1COCCO1 34a_100010981119_100000748600 [0,0,0,1,0,0|2,0,1]=4 3217 B12R1.8 CC#CCOCC1CCCCO1 34a_100000211370_100000748600 [0,0,0,1,0,0|2,0,1]=4 3218 B12R1.8 CC#CCOCC1CCCCO1 34a_100000761923_100000211543 [0,0,0,1,0,0|2,0,1]=4 3219 B12R1.8 CC#CCOCC1CCCCO1 7a_100000211370_100000748600 [0,0,0,1,0,0|2,0,1]=4 3220 B12R1.8 CC#CCOCC1CCCOC1 34a_100000741520_100000748600 [0,0,0,1,0,0|2,0,1]=4 3221 B12R1.8 CC#CCOCC1CCCOC1 34a_100000761923_100000741521 [0,0,0,1,0,0|2,0,1]=4 3222 B12R1.8 CC#CCOC[C@@H]1CNCCO1 34a_100015189573_100000748600 [0,0,0,1,0,0|2,0,1]=4 3223 B12R1.8 CC#CCOC[C@@H]1COCCN1 34a_100000717676_100000748600 [0,0,0,1,0,0|2,0,1]=4 3224 B12R1.8 CC#CCOC[C@H]1COCCO1 34a_100009875890_100000748600 [0,0,0,1,0,0|1,0,1]=3 3225 B12R1.8 CC=CCNC[C@H]1COCCO1 2230a_100010981119_100000070051 [0,0,0,1,0,0|2,0,1]=4 3226 B12R1.8 CC=CCNC[C@H]1COCCO1 34a_100010981119_100000070051 [0,0,0,1,0,0|2,0,1]=4 3227 B12R1.8 CC=CCOCC1CCCCO1 34a_100000211370_100000070051 [0,0,0,1,0,0|2,0,1]=4 3228 B12R1.8 CC=CCOCC1CCCCO1 7a_100000211370_100000070051 [0,0,0,1,0,0|2,0,1]=4 3229 B12R1.8 CC=CCOCC1CCCOC1 34a_100000741520_100000070051 [0,0,0,1,0,0|2,0,1]=4 3230 B12R1.8 CC=CCOC[C@@H]1CNCCO1 34a_100015189573_100000070051 [0,0,0,1,0,0|2,0,1]=4 3231 B12R1.8 CC=CCOC[C@@H]1COCCN1 34a_100000717676_100000070051 [0,0,0,1,0,0|2,0,1]=4 3232 B12R1.8 CC=CCOC[C@H]1COCCO1 34a_100009875890_100000070051 [0,0,0,1,0,0|1,0,1]=3 3233 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,0,0,1,0,0|3,0,0]=4 3234 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,0,0,1,0,0|3,0,0]=4 3235 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,0,0,1,0,0|3,0,0]=4 3236 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,0,0,1,0,0|3,0,0]=4 3237 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [0,0,0,1,0,0|3,0,0]=4 3238 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [0,0,0,1,0,0|3,0,0]=4 3239 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [0,0,0,1,0,0|3,0,0]=4 3240 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [0,0,0,1,0,0|3,0,0]=4 3241 B12R1.8 CCCCNC[C@H]1COCCO1 2230a_100010981119_100000210211 [0,0,0,1,0,0|2,0,0]=3 3242 B12R1.8 CCCCNC[C@H]1COCCO1 34a_100010981119_100000210210 [0,0,0,1,0,0|2,0,0]=3 3243 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [0,0,0,1,0,0|3,0,0]=4 3244 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [0,0,0,1,0,0|3,0,0]=4 3245 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [0,0,0,1,0,0|3,0,0]=4 3246 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [0,0,0,1,0,0|3,0,0]=4 3247 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [0,0,0,1,0,0|3,0,0]=4 3248 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,0,0,1,0,0|2,0,0]=3 3249 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,0,0,1,0,0|2,0,0]=3 3250 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,0,0,1,0,0|2,0,0]=3 3251 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,0,0,1,0,0|2,0,0]=3 3252 B12R1.8 CCCCOCC1CCCNC1 34a_100000211344_100000210210 [0,0,0,1,0,0|3,0,0]=4 3253 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [0,0,0,1,0,0|2,0,0]=3 3254 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [0,0,0,1,0,0|2,0,0]=3 3255 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [0,0,0,1,0,0|2,0,0]=3 3256 B12R1.8 CCCCOCN1CCCOC1 2230a_100000131196_100011995733 [0,0,0,1,0,0|3,0,0]=4 3257 B12R1.8 CCCCOCN1CCCOC1 269982a_100000131196_100011995733 [0,0,0,1,0,0|3,0,0]=4 3258 B12R1.8 CCCCOCN1CCCOC1 34a_100000131196_100011995733 [0,0,0,1,0,0|3,0,0]=4 3259 B12R1.8 CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000210210 [0,0,0,1,0,0|2,0,0]=3 3260 B12R1.8 CCCCOC[C@@H]1COCCN1 34a_100000717676_100000210210 [0,0,0,1,0,0|2,0,0]=3 3261 B12R1.8 CCCCOC[C@H]1COCCO1 34a_100009875890_100000210210 [0,0,0,1,0,0|1,0,0]=2 3262 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,0,0,1,0,0|2,1,0]=4 3263 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,0,0,1,0,0|2,1,0]=4 3264 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [0,0,0,1,0,0|2,1,0]=4 3265 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [0,0,0,1,0,0|2,1,0]=4 3266 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [0,0,0,1,0,0|3,0,0]=4 3267 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [0,0,0,1,0,0|3,0,0]=4 3268 B12R1.8 COCCCCN1CCCOC1 2230a_100000131196_100000730899 [0,0,0,1,0,0|3,0,0]=4 3269 B12R1.8 COCCCCN1CCCOC1 269982a_100000131196_100000730899 [0,0,0,1,0,0|3,0,0]=4 3270 B12R1.8 COCCCCN1CCCOC1 34a_100000131196_100000755781 [0,0,0,1,0,0|3,0,0]=4 3271 B12R1.8 COCCCNC1CCCOC1 2230a_100000719290_100000740836 [0,0,0,1,0,0|3,0,0]=4 3272 B12R1.8 COCCCNC1CCCOC1 270004a_100150723488_100000753404 [0,0,0,1,0,0|3,0,0]=4 3273 B12R1.8 COCCCNC1CCCOC1 34a_100000719290_100000740836 [0,0,0,1,0,0|3,0,0]=4 3274 B12R1.8 COCCCNC1CCCOC1 34a_100150723488_100000693364 [0,0,0,1,0,0|3,0,0]=4 3275 B12R1.8 COCCCOC1CCCCO1 34a_100000033831_100000740836 [0,0,0,1,0,0|3,0,0]=4 3276 B12R1.8 COCCCOC1CCCCO1 34a_100138415774_100000700653 [0,0,0,1,0,0|3,0,0]=4 3277 B12R1.8 COCCCOC1CCCOC1 34a_100000740835_100000693364 [0,0,0,1,0,0|3,0,0]=4 3278 B12R1.8 COCCCOC1CCCOC1 34a_100000754041_100000740836 [0,0,0,1,0,0|3,0,0]=4 3279 B12R1.8 COCCCSC1CCCOC1 62a_100000709357_100000693364 [0,0,0,1,0,0|3,0,0]=4 3280 B12R1.8 COCCNCC1CCCCC1 2230a_100000209980_100000211423 [0,0,0,1,0,0|3,0,0]=4 3281 B12R1.8 COCCNCC1CCCCC1 2230a_100000210473_100011201679 [0,0,0,1,0,0|3,0,0]=4 3282 B12R1.8 COCCNCC1CCCCC1 269862a_100000209980_100000211278 [0,0,0,1,0,0|3,0,0]=4 3283 B12R1.8 COCCNCC1CCCCC1 34a_100000210473_100011201679 [0,0,0,1,0,0|3,0,0]=4 3284 B12R1.8 COCCNCC1CCCCO1 2230a_100000174945_100011201679 [0,0,0,1,0,0|2,0,0]=3 3285 B12R1.8 COCCNCC1CCCCO1 2230a_100000209980_100000211543 [0,0,0,1,0,0|2,0,0]=3 3286 B12R1.8 COCCNCC1CCCCO1 34a_100000174945_100011201679 [0,0,0,1,0,0|2,0,0]=3 3287 B12R1.8 COCCNCC1CCCOC1 2230a_100000209980_100000741521 [0,0,0,1,0,0|2,0,0]=3 3288 B12R1.8 COCCNCC1CCCOC1 2230a_100000720124_100011201679 [0,0,0,1,0,0|2,0,0]=3 3289 B12R1.8 COCCNCC1CCCOC1 34a_100000720124_100011201679 [0,0,0,1,0,0|2,0,0]=3 3290 B12R1.8 COCCNC[C@H]1COCCO1 2230a_100010981119_100011201679 [0,0,0,1,0,0|1,0,0]=2 3291 B12R1.8 COCCNC[C@H]1COCCO1 34a_100010981119_100011201679 [0,0,0,1,0,0|1,0,0]=2 3292 B12R1.8 COCCOCC1CC=CCC1 34a_100000210713_100011201679 [0,0,0,1,0,0|2,0,1]=4 3293 B12R1.8 COCCOCC1CCC=CO1 34a_100011217868_100011201679 [0,0,0,1,0,0|1,0,2]=4 3294 B12R1.8 COCCOCC1CCCCC1 34a_100000210237_100000211423 [0,0,0,1,0,0|2,0,0]=3 3295 B12R1.8 COCCOCC1CCCCC1 34a_100000212181_100011201679 [0,0,0,1,0,0|2,0,0]=3 3296 B12R1.8 COCCOCC1CCCCC1 7a_100000212181_100000233755 [0,0,0,1,0,0|2,0,0]=3 3297 B12R1.8 COCCOCC1CCCCN1 34a_100000210821_100011201679 [0,0,0,1,0,0|2,0,0]=3 3298 B12R1.8 COCCOCC1CCCCO1 34a_100000210237_100000211543 [0,0,0,1,0,0|1,0,0]=2 3299 B12R1.8 COCCOCC1CCCCO1 34a_100000211370_100011201679 [0,0,0,1,0,0|1,0,0]=2 3300 B12R1.8 COCCOCC1CCCCO1 7a_100000211370_100000233755 [0,0,0,1,0,0|1,0,0]=2 3301 B12R1.8 COCCOCC1CCCNC1 34a_100000211344_100011201679 [0,0,0,1,0,0|2,0,0]=3 3302 B12R1.8 COCCOCC1CCCOC1 34a_100000210237_100000741521 [0,0,0,1,0,0|1,0,0]=2 3303 B12R1.8 COCCOCC1CCCOC1 34a_100000741520_100011201679 [0,0,0,1,0,0|1,0,0]=2 3304 B12R1.8 COCCOCC1CCNCC1 34a_100000738675_100011201679 [0,0,0,1,0,0|3,0,0]=4 3305 B12R1.8 COCCOCC1CCOCC1 34a_100000210237_100000754603 [0,0,0,1,0,0|3,0,0]=4 3306 B12R1.8 COCCOCC1CCOCC1 34a_100000749013_100011201679 [0,0,0,1,0,0|3,0,0]=4 3307 B12R1.8 COCCOCC1CCSCC1 34a_100000070558_100011201679 [0,0,0,1,0,0|3,0,0]=4 3308 B12R1.8 COCCOCC1CCSCC1 7a_100000070558_100000233755 [0,0,0,1,0,0|3,0,0]=4 3309 B12R1.8 COCCOCN1CCCOC1 2230a_100000131196_100000231047 [0,0,0,1,0,0|2,0,0]=3 3310 B12R1.8 COCCOCN1CCCOC1 269982a_100000131196_100000231047 [0,0,0,1,0,0|2,0,0]=3 3311 B12R1.8 COCCOC[C@@H]1CNCCO1 34a_100015189573_100011201679 [0,0,0,1,0,0|1,0,0]=2 3312 B12R1.8 COCCOC[C@@H]1COCCN1 34a_100000717676_100011201679 [0,0,0,1,0,0|1,0,0]=2 3313 B12R1.8 COCCOC[C@H]1COCCO1 34a_100009875890_100011201679 [0,0,0,1,0,0|0,0,0]=1 3314 B12R1.8 COCCSCC1CCCCC1 62a_100000211423_100000233755 [0,0,0,1,0,0|2,1,0]=4 3315 B12R1.8 COCCSCC1CCCCC1 62a_100000233755_100000211423 [0,0,0,1,0,0|2,1,0]=4 3316 B12R1.8 COCCSCC1CCCCO1 62a_100000211543_100000233755 [0,0,0,1,0,0|1,1,0]=3 3317 B12R1.8 COCCSCC1CCCCO1 62a_100000233755_100000211543 [0,0,0,1,0,0|1,1,0]=3 3318 B12R1.8 COCCSCC1CCCOC1 62a_100000233755_100000741521 [0,0,0,1,0,0|1,1,0]=3 3319 B12R1.8 COCCSCC1CCCOC1 62a_100000741521_100000233755 [0,0,0,1,0,0|1,1,0]=3 3320 B12R1.8 COCNCCC1CCCCO1 2230a_100015183643_100000766300 [0,0,0,1,0,0|3,0,0]=4 3321 B12R1.8 CSCCNCC1CCCCO1 2230a_100000174945_100000751147 [0,0,0,1,0,0|2,1,0]=4 3322 B12R1.8 CSCCNCC1CCCCO1 2230a_100020590264_100000211543 [0,0,0,1,0,0|2,1,0]=4 3323 B12R1.8 CSCCNCC1CCCCO1 34a_100000174945_100000212216 [0,0,0,1,0,0|2,1,0]=4 3324 B12R1.8 CSCCNCC1CCCOC1 2230a_100000720124_100000751147 [0,0,0,1,0,0|2,1,0]=4 3325 B12R1.8 CSCCNCC1CCCOC1 2230a_100020590264_100000741521 [0,0,0,1,0,0|2,1,0]=4 3326 B12R1.8 CSCCNCC1CCCOC1 34a_100000720124_100000212216 [0,0,0,1,0,0|2,1,0]=4 3327 B12R1.8 CSCCNC[C@H]1COCCO1 2230a_100010981119_100000751147 [0,0,0,1,0,0|1,1,0]=3 3328 B12R1.8 CSCCNC[C@H]1COCCO1 34a_100010981119_100000212216 [0,0,0,1,0,0|1,1,0]=3 3329 B12R1.8 CSCCOCC1CCCCC1 34a_100000212181_100000212216 [0,0,0,1,0,0|2,1,0]=4 3330 B12R1.8 CSCCOCC1CCCCC1 34a_100000230434_100000211423 [0,0,0,1,0,0|2,1,0]=4 3331 B12R1.8 CSCCOCC1CCCCC1 7a_100000212181_100000212216 [0,0,0,1,0,0|2,1,0]=4 3332 B12R1.8 CSCCOCC1CCCCC1 7a_100000230434_100000211423 [0,0,0,1,0,0|2,1,0]=4 3333 B12R1.8 CSCCOCC1CCCCN1 34a_100000210821_100000212216 [0,0,0,1,0,0|2,1,0]=4 3334 B12R1.8 CSCCOCC1CCCCO1 34a_100000211370_100000212216 [0,0,0,1,0,0|1,1,0]=3 3335 B12R1.8 CSCCOCC1CCCCO1 34a_100000230434_100000211543 [0,0,0,1,0,0|1,1,0]=3 3336 B12R1.8 CSCCOCC1CCCCO1 7a_100000211370_100000212216 [0,0,0,1,0,0|1,1,0]=3 3337 B12R1.8 CSCCOCC1CCCCO1 7a_100000230434_100000211543 [0,0,0,1,0,0|1,1,0]=3 3338 B12R1.8 CSCCOCC1CCCNC1 34a_100000211344_100000212216 [0,0,0,1,0,0|2,1,0]=4 3339 B12R1.8 CSCCOCC1CCCOC1 34a_100000230434_100000741521 [0,0,0,1,0,0|1,1,0]=3 3340 B12R1.8 CSCCOCC1CCCOC1 34a_100000741520_100000212216 [0,0,0,1,0,0|1,1,0]=3 3341 B12R1.8 CSCCOCC1CCCOC1 7a_100000230434_100000741521 [0,0,0,1,0,0|1,1,0]=3 3342 B12R1.8 CSCCOC[C@@H]1CNCCO1 34a_100015189573_100000212216 [0,0,0,1,0,0|1,1,0]=3 3343 B12R1.8 CSCCOC[C@@H]1COCCN1 34a_100000717676_100000212216 [0,0,0,1,0,0|1,1,0]=3 3344 B12R1.8 CSCCOC[C@H]1COCCO1 34a_100009875890_100000212216 [0,0,0,1,0,0|0,1,0]=2 3345 B12R1.8 CSCCSCC1CCCCO1 62a_100000211543_100000751147 [0,0,0,1,0,0|1,2,0]=4 3346 B12R1.8 CSCCSCC1CCCCO1 62a_100000212216_100000211543 [0,0,0,1,0,0|1,2,0]=4 3347 B12R1.8 CSCCSCC1CCCOC1 62a_100000212216_100000741521 [0,0,0,1,0,0|1,2,0]=4 3348 B12R1.8 CSCCSCC1CCCOC1 62a_100000741521_100000751147 [0,0,0,1,0,0|1,2,0]=4 3349 B12R1.8 ClCCCOCC1CCCCO1 34a_100000230001_100000211543 [0,0,0,1,0,0|3,0,0]=4 3350 B12R1.8 ClCCCOCC1CCCOC1 34a_100000230001_100000741521 [0,0,0,1,0,0|3,0,0]=4 3351 B12R1.8 FCCCNC[C@H]1COCCO1 2230a_100010981119_100011934791 [0,0,0,1,0,0|3,0,0]=4 3352 B12R1.8 FCCCNC[C@H]1COCCO1 34a_100010981119_100011934791 [0,0,0,1,0,0|3,0,0]=4 3353 B12R1.8 FCCCOCC1CCCCO1 34a_100000211370_100011934791 [0,0,0,1,0,0|3,0,0]=4 3354 B12R1.8 FCCCOCC1CCCCO1 34a_100000759539_100000211543 [0,0,0,1,0,0|3,0,0]=4 3355 B12R1.8 FCCCOCC1CCCCO1 7a_100000211370_100011934791 [0,0,0,1,0,0|3,0,0]=4 3356 B12R1.8 FCCCOCC1CCCOC1 34a_100000741520_100011934791 [0,0,0,1,0,0|3,0,0]=4 3357 B12R1.8 FCCCOCC1CCCOC1 34a_100000759539_100000741521 [0,0,0,1,0,0|3,0,0]=4 3358 B12R1.8 FCCCOC[C@@H]1CNCCO1 34a_100015189573_100011934791 [0,0,0,1,0,0|3,0,0]=4 3359 B12R1.8 FCCCOC[C@@H]1COCCN1 34a_100000717676_100011934791 [0,0,0,1,0,0|3,0,0]=4 3360 B12R1.8 FCCCOC[C@H]1COCCO1 34a_100009875890_100011934791 [0,0,0,1,0,0|2,0,0]=3 3361 B12R1.8 N#CCCNC[C@H]1COCCO1 2230a_100010981119_100011215226 [0,0,0,1,0,0|3,0,0]=4 3362 B12R1.8 N#CCCOCC1CCCCO1 7a_100000211370_100000184422 [0,0,0,1,0,0|3,0,0]=4 3363 B12R1.8 NCCCOCC1CCCCO1 34a_100000182051_100000211543 [0,0,0,1,0,0|3,0,0]=4 3364 B12R1.8 NCCCOCC1CCCOC1 34a_100000182051_100000741521 [0,0,0,1,0,0|3,0,0]=4 3365 B12R1.8 NOCCOCC1CCCCC1 34a_100000700252_100000211423 [0,0,0,1,0,0|3,0,0]=4 3366 B12R1.8 NOCCOCC1CCCCO1 34a_100000700252_100000211543 [0,0,0,1,0,0|2,0,0]=3 3367 B12R1.8 NOCCOCC1CCCOC1 34a_100000700252_100000741521 [0,0,0,1,0,0|2,0,0]=3 3368 B12R1.8 OCCCNC[C@H]1COCCO1 2230a_100010981119_100000230001 [0,0,0,1,0,0|3,0,0]=4 3369 B12R1.8 OCCCNC[C@H]1COCCO1 34a_100010981119_100000230001 [0,0,0,1,0,0|3,0,0]=4 3370 B12R1.8 OCCCOCC1CCCCO1 34a_100000211370_100000230001 [0,0,0,1,0,0|3,0,0]=4 3371 B12R1.8 OCCCOCC1CCCCO1 7a_100000211370_100011215043 [0,0,0,1,0,0|3,0,0]=4 3372 B12R1.8 OCCCOCC1CCCOC1 34a_100000741520_100000230001 [0,0,0,1,0,0|3,0,0]=4 3373 B12R1.8 OCCCOC[C@@H]1CNCCO1 34a_100015189573_100000230001 [0,0,0,1,0,0|3,0,0]=4 3374 B12R1.8 OCCCOC[C@@H]1COCCN1 34a_100000717676_100000230001 [0,0,0,1,0,0|3,0,0]=4 3375 B12R1.8 OCCCOC[C@H]1COCCO1 34a_100009875890_100000230001 [0,0,0,1,0,0|2,0,0]=3 3376 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [0,0,0,1,0,0|3,0,0]=4 3377 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [0,0,0,1,0,0|3,0,0]=4 3378 B12R1.37 C#CCCOCCC1CCOC1 34a_100011879284_100000688953 [0,0,0,1,0,0|2,0,1]=4 3379 B12R1.37 C/C=C/COCCC1CCOC1 34a_100011879284_100102629194 [0,0,0,1,0,0|2,0,1]=4 3380 B12R1.37 C=CCCOCCC1CCOC1 34a_100011879284_100000754431 [0,0,0,1,0,0|2,0,1]=4 3381 B12R1.37 CC#CCOCCC1CCOC1 34a_100011879284_100000748600 [0,0,0,1,0,0|2,0,1]=4 3382 B12R1.37 CC=CCOCCC1CCOC1 34a_100011879284_100000070051 [0,0,0,1,0,0|2,0,1]=4 3383 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [0,0,0,1,0,0|3,0,0]=4 3384 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [0,0,0,1,0,0|3,0,0]=4 3385 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [0,0,0,1,0,0|3,0,0]=4 3386 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [0,0,0,1,0,0|3,0,0]=4 3387 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [0,0,0,1,0,0|3,0,0]=4 3388 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [0,0,0,1,0,0|2,0,0]=3 3389 B12R1.37 CCCCOCCN1CCCC1 2230a_100000188435_100000743108 [0,0,0,1,0,0|3,0,0]=4 3390 B12R1.37 CCCCOCCN1CCCC1 269982a_100000188435_100000743108 [0,0,0,1,0,0|3,0,0]=4 3391 B12R1.37 CCCCOCCN1CCCC1 7a_100000210227_100000004467 [0,0,0,1,0,0|3,0,0]=4 3392 B12R1.37 CCCCOCCN1CCSC1 2230a_100011215254_100000743108 [0,0,0,1,0,0|2,1,0]=4 3393 B12R1.37 CCCCOCCN1CCSC1 269982a_100011215254_100000743108 [0,0,0,1,0,0|2,1,0]=4 3394 B12R1.37 CCCCOCN[C@@H]1CCOC1 2230a_200015188469_100011995733 [0,0,0,1,0,0|3,0,0]=4 3395 B12R1.37 CCCCOCN[C@H]1CCOC1 2230a_100015188467_100011995733 [0,0,0,1,0,0|3,0,0]=4 3396 B12R1.37 CCCCOCN[C@H]1CCOC1 34a_100015188467_100011995733 [0,0,0,1,0,0|3,0,0]=4 3397 B12R1.37 CCCCOCO[C@H]1CCOC1 34a_100000717292_100011995733 [0,0,0,1,0,0|3,0,0]=4 3398 B12R1.37 CCCCOCSC1CCOC1 62a_100011995733_100000690089 [0,0,0,1,0,0|3,0,0]=4 3399 B12R1.37 COCCCCN[C@@H]1CCOC1 2230a_200015188469_100000730899 [0,0,0,1,0,0|3,0,0]=4 3400 B12R1.37 COCCCCN[C@H]1CCOC1 2230a_100015188467_100000730899 [0,0,0,1,0,0|3,0,0]=4 3401 B12R1.37 COCCCCN[C@H]1CCOC1 34a_100015188467_100000755781 [0,0,0,1,0,0|3,0,0]=4 3402 B12R1.37 COCCCCOC1CCOC1 34a_100000740925_100000690089 [0,0,0,1,0,0|3,0,0]=4 3403 B12R1.37 COCCCCO[C@H]1CCOC1 34a_100000717292_100000755781 [0,0,0,1,0,0|3,0,0]=4 3404 B12R1.37 COCCCCSC1CCOC1 62a_100000730899_100000690089 [0,0,0,1,0,0|3,0,0]=4 3405 B12R1.37 COCCCNCC1CCOC1 2230a_100000737293_100000740836 [0,0,0,1,0,0|3,0,0]=4 3406 B12R1.37 COCCCNCC1CCOC1 34a_100000737293_100000740836 [0,0,0,1,0,0|3,0,0]=4 3407 B12R1.37 COCCCNCC1CCOC1 34a_100150723488_100011261433 [0,0,0,1,0,0|3,0,0]=4 3408 B12R1.37 COCCCOCC1CCOC1 34a_100000740260_100000740836 [0,0,0,1,0,0|3,0,0]=4 3409 B12R1.37 COCCCOCC1CCOC1 34a_100000740835_100011261433 [0,0,0,1,0,0|3,0,0]=4 3410 B12R1.37 COCCCSCC1CCOC1 62a_100000702531_100000709357 [0,0,0,1,0,0|3,0,0]=4 3411 B12R1.37 COCCCSCC1CCOC1 62a_100000709357_100000702531 [0,0,0,1,0,0|3,0,0]=4 3412 B12R1.37 COCCNCCC1CCCC1 2230a_100000209980_100000760354 [0,0,0,1,0,0|3,0,0]=4 3413 B12R1.37 COCCNCCC1CCCC1 2230a_100000739158_100011201679 [0,0,0,1,0,0|3,0,0]=4 3414 B12R1.37 COCCNCCC1CCCC1 34a_100000739158_100011201679 [0,0,0,1,0,0|3,0,0]=4 3415 B12R1.37 COCCOCCC1CCCC1 34a_100000210237_100000760354 [0,0,0,1,0,0|2,0,0]=3 3416 B12R1.37 COCCOCCC1CCCC1 34a_100000749090_100011201679 [0,0,0,1,0,0|2,0,0]=3 3417 B12R1.37 COCCOCCC1CCCC1 7a_100000749090_100000233755 [0,0,0,1,0,0|2,0,0]=3 3418 B12R1.37 COCCOCCC1CCNC1 34a_100016987287_100011201679 [0,0,0,1,0,0|2,0,0]=3 3419 B12R1.37 COCCOCCC1CCOC1 34a_100011879284_100011201679 [0,0,0,1,0,0|1,0,0]=2 3420 B12R1.37 COCCOCCN1CC=CC1 269982a_100015195280_100000695917 [0,0,0,1,0,0|2,0,1]=4 3421 B12R1.37 COCCOCCN1CCCC1 2230a_100000188435_100000695917 [0,0,0,1,0,0|2,0,0]=3 3422 B12R1.37 COCCOCCN1CCCC1 269982a_100000188435_100000695917 [0,0,0,1,0,0|2,0,0]=3 3423 B12R1.37 COCCOCCN1CCSC1 2230a_100011215254_100000695917 [0,0,0,1,0,0|1,1,0]=3 3424 B12R1.37 COCCOCCN1CCSC1 269982a_100011215254_100000695917 [0,0,0,1,0,0|1,1,0]=3 3425 B12R1.37 COCCOCNC1CCCC1 2230a_100000211070_100000231047 [0,0,0,1,0,0|3,0,0]=4 3426 B12R1.37 COCCOCN[C@@H]1CCOC1 2230a_200015188469_100000231047 [0,0,0,1,0,0|2,0,0]=3 3427 B12R1.37 COCCOCN[C@H]1CCOC1 2230a_100015188467_100000231047 [0,0,0,1,0,0|2,0,0]=3 3428 B12R1.37 COCCOCSC1CCCC1 62a_100000231047_100000179811 [0,0,0,1,0,0|3,0,0]=4 3429 B12R1.37 COCCOCSC1CCCC1 62a_100011217020_100000231047 [0,0,0,1,0,0|3,0,0]=4 3430 B12R1.37 COCCOCSC1CCOC1 62a_100000231047_100000690089 [0,0,0,1,0,0|2,0,0]=3 3431 B12R1.37 COCCSCCC1CCCC1 62a_100000233755_100000760354 [0,0,0,1,0,0|2,1,0]=4 3432 B12R1.37 COCCSCCC1CCCC1 62a_100000760354_100000233755 [0,0,0,1,0,0|2,1,0]=4 3433 B12R1.37 COCCSCCN1CCCC1 62a_100000233755_100000004467 [0,0,0,1,0,0|2,1,0]=4 3434 B12R1.37 COCCSCCN1CCCC1 62a_100000700749_100000233755 [0,0,0,1,0,0|2,1,0]=4 3435 B12R1.37 CSCCOCCC1CCCC1 34a_100000230434_100000760354 [0,0,0,1,0,0|2,1,0]=4 3436 B12R1.37 CSCCOCCC1CCCC1 34a_100000749090_100000212216 [0,0,0,1,0,0|2,1,0]=4 3437 B12R1.37 CSCCOCCC1CCCC1 7a_100000230434_100000760354 [0,0,0,1,0,0|2,1,0]=4 3438 B12R1.37 CSCCOCCC1CCCC1 7a_100000749090_100000212216 [0,0,0,1,0,0|2,1,0]=4 3439 B12R1.37 CSCCOCCC1CCNC1 34a_100016987287_100000212216 [0,0,0,1,0,0|2,1,0]=4 3440 B12R1.37 CSCCOCCC1CCOC1 34a_100011879284_100000212216 [0,0,0,1,0,0|1,1,0]=3 3441 B12R1.37 CSCCOCCN1CCCC1 7a_100000230434_100000004467 [0,0,0,1,0,0|2,1,0]=4 3442 B12R1.37 FCCCOCCC1CCOC1 34a_100011879284_100011934791 [0,0,0,1,0,0|3,0,0]=4 3443 B12R1.37 NOCCOCCC1CCCC1 34a_100000700252_100000760354 [0,0,0,1,0,0|3,0,0]=4 3444 B12R1.37 OCCCOCCC1CCOC1 34a_100011879284_100000230001 [0,0,0,1,0,0|3,0,0]=4 3445 B12R1.45 CCC1CCCC1NCCOC 269862a_100000209980_100000749056 [0,0,0,1,0,0|3,0,0]=4 3446 B12R1.45 CCC1CCCC1NCCOC 270004a_100000209980_100000749056 [0,0,0,1,0,0|3,0,0]=4 3447 B12R1.45 COCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100011201679 [0,0,0,1,0,0|3,0,0]=4 3448 B12R1.45 COCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000233755 [0,0,0,1,0,0|3,0,0]=4 3449 B12R1.121 CCC1CCCCN1CCOC 2230a_100000210034_100011201679 [0,0,0,1,0,0|3,0,0]=4 3450 B12R1.121 CCC1CCCCN1CCOC 269982a_100000210034_100000233755 [0,0,0,1,0,0|3,0,0]=4 3451 B12R1.121 CCC1CCCCN1CCOC 34a_100000210034_100011201679 [0,0,0,1,0,0|3,0,0]=4 3452 B12R1.121 CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210211 [0,0,0,1,0,0|3,0,0]=4 3453 B12R1.121 CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210211 [0,0,0,1,0,0|3,0,0]=4 3454 B12R1.121 CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000210210 [0,0,0,1,0,0|3,0,0]=4 3455 B12R1.121 CCCNC1CCOCC1OC 270004a_100020643023_100000095984 [0,0,0,1,0,0|3,0,0]=4 3456 B12R1.121 CC[C@H]1COCCN1CCOC 2230a_100016988097_100011201679 [0,0,0,1,0,0|2,0,0]=3 3457 B12R1.121 CC[C@H]1COCCN1CCOC 269982a_100016988097_100000233755 [0,0,0,1,0,0|2,0,0]=3 3458 B12R1.121 CC[C@H]1COCCN1CCOC 34a_100016988097_100011201679 [0,0,0,1,0,0|2,0,0]=3 3459 B12R1.121 CC[C@H]1COCCN1CCSC 2230a_100016988097_100000751147 [0,0,0,1,0,0|2,1,0]=4 3460 B12R1.121 CC[C@H]1COCCN1CCSC 269982a_100016988097_100000212216 [0,0,0,1,0,0|2,1,0]=4 3461 B12R1.121 CC[C@H]1COCCN1CCSC 34a_100016988097_100000212216 [0,0,0,1,0,0|2,1,0]=4 3462 B12R1.121 COCCN1CCOC[C@H]1CO 2230a_100000717676_100011201679 [0,0,0,1,0,0|3,0,0]=4 3463 B12R1.121 COCCN1CCOC[C@H]1CO 269982a_100000717676_100000233755 [0,0,0,1,0,0|3,0,0]=4 3464 B12R1.121 COCCN1CCOC[C@H]1CO 34a_100000717676_100011201679 [0,0,0,1,0,0|3,0,0]=4 3465 B12R1.169 COCC1CCCCN1COC 2230a_100015184032_100000766300 [0,0,0,1,0,0|3,0,0]=4 3466 B12R1.169 COCC1CCCCN1COC 269982a_100015184032_100000766300 [0,0,0,1,0,0|3,0,0]=4 3467 B12R1.267 CCCCOC1CCCCC1C 34a_100000211207_100000210210 [0,0,0,1,0,0|3,0,0]=4 3468 B12R1.267 CCCCOC1CCCCC1C 7a_100000211207_100000210211 [0,0,0,1,0,0|3,0,0]=4 3469 B12R1.267 CCCCOC1CNCCC1C 34a_100000696640_100000210210 [0,0,0,1,0,0|3,0,0]=4 3470 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [0,0,0,1,0,0|3,0,0]=4 3471 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [0,0,0,1,0,0|3,0,0]=4 3472 B12R1.267 CCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210210 [0,0,0,1,0,0|3,0,0]=4 3473 B12R1.267 COCCCC1CCCCN1C 2230a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 3474 B12R1.267 COCCCC1CCCCN1C 269982a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 3475 B12R1.267 COCCCC1CCCCN1C 34a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 3476 B12R1.267 COCCCC1CCCCN1[13CH3] 2230a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 3477 B12R1.267 COCCCC1CCCCN1[13CH3] 269982a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 3478 B12R1.267 COCCCC1CCCCN1[13CH3] 34a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 3479 B12R1.267 COCCNC1CCCCC1C 2230a_100000211402_100011201679 [0,0,0,1,0,0|3,0,0]=4 3480 B12R1.267 COCCNC1CCCCC1C 269862a_100000209980_100000210921 [0,0,0,1,0,0|3,0,0]=4 3481 B12R1.267 COCCNC1CCCCC1C 270004a_100000209980_100000210921 [0,0,0,1,0,0|3,0,0]=4 3482 B12R1.267 COCCNC1CCCCC1C 34a_100000211402_100011201679 [0,0,0,1,0,0|3,0,0]=4 3483 B12R1.267 COCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011201679 [0,0,0,1,0,0|3,0,0]=4 3484 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [0,0,0,1,0,0|3,0,0]=4 3485 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [0,0,0,1,0,0|3,0,0]=4 3486 B12R1.267 COCCOC1CCCCC1C 34a_100000211207_100011201679 [0,0,0,1,0,0|2,0,0]=3 3487 B12R1.267 COCCOC1CCCCC1C 7a_100000211207_100000233755 [0,0,0,1,0,0|2,0,0]=3 3488 B12R1.267 COCCOC1CCCCC1Cl 34a_100000038908_100011201679 [0,0,0,1,0,0|3,0,0]=4 3489 B12R1.267 COCCOC1CCCCC1Cl 7a_100000038908_100000233755 [0,0,0,1,0,0|3,0,0]=4 3490 B12R1.267 COCCOC1CCCCC1F 34a_100000210237_100015423560 [0,0,0,1,0,0|3,0,0]=4 3491 B12R1.267 COCCOC1CCCCC1O 34a_100000210237_100000038908 [0,0,0,1,0,0|3,0,0]=4 3492 B12R1.267 COCCOC1CCNCC1C 34a_100011998114_100011201679 [0,0,0,1,0,0|3,0,0]=4 3493 B12R1.267 COCCOC1CNCCC1C 34a_100000696640_100011201679 [0,0,0,1,0,0|2,0,0]=3 3494 B12R1.267 COCCOC1COCCC1=O 34a_100000210237_100012180262 [0,0,0,1,0,0|2,0,0]=3 3495 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011201679 [0,0,0,1,0,0|3,0,0]=4 3496 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000233755 [0,0,0,1,0,0|3,0,0]=4 3497 B12R1.267 COCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011201679 [0,0,0,1,0,0|3,0,0]=4 3498 B12R1.267 COCCO[C@H]1COCC[C@H]1N 34a_100016994285_100011201679 [0,0,0,1,0,0|2,0,0]=3 3499 B12R1.267 COCCSC1COCCC1=O 62a_100000233755_100012180262 [0,0,0,1,0,0|2,1,0]=4 3500 B12R1.267 COCCSC1COCCC1=O 62a_100012180262_100000233755 [0,0,0,1,0,0|2,1,0]=4 3501 B12R1.267 CSCCOC1CCCCC1C 34a_100000211207_100000212216 [0,0,0,1,0,0|2,1,0]=4 3502 B12R1.267 CSCCOC1CCCCC1C 7a_100000211207_100000212216 [0,0,0,1,0,0|2,1,0]=4 3503 B12R1.267 CSCCOC1CNCCC1C 34a_100000696640_100000212216 [0,0,0,1,0,0|2,1,0]=4 3504 B12R1.267 CSCCOC1COCCC1=O 34a_100000230434_100012180262 [0,0,0,1,0,0|2,1,0]=4 3505 B12R1.267 CSCCOC1COCCC1=O 7a_100000230434_100012180262 [0,0,0,1,0,0|2,1,0]=4 3506 B12R1.267 CSCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000212216 [0,0,0,1,0,0|2,1,0]=4 3507 B12R1.267 NOCCOC1COCCC1=O 34a_100000700252_100012180262 [0,0,0,1,0,0|3,0,0]=4 3508 B12R1.271 COCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000695917 [0,0,0,1,0,0|3,0,0]=4 3509 B12R1.271 COCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000695917 [0,0,0,1,0,0|3,0,0]=4 3510 B12R1.271 COCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000695917 [0,0,0,1,0,0|3,0,0]=4 3511 B12R1.272 BrCCCCCCOC1COC1 34a_100011215345_100009818527 [0,0,0,1,0,0|3,0,0]=4 3512 B12R1.272 BrCCCCCCOC1COC1 7a_100011215345_100009818527 [0,0,0,1,0,0|3,0,0]=4 3513 B12R1.272 C#CCCCCCOC1COC1 34a_100000766912_100009818527 [0,0,0,1,0,0|2,0,1]=4 3514 B12R1.272 C#CCCCCCOC1COC1 7a_100000766912_100009818527 [0,0,0,1,0,0|2,0,1]=4 3515 B12R1.272 C=CCCCCCOC1COC1 34a_100011216702_100009818527 [0,0,0,1,0,0|2,0,1]=4 3516 B12R1.272 C=CCCCCCOC1COC1 7a_100011216702_100009818527 [0,0,0,1,0,0|2,0,1]=4 3517 B12R1.272 CCCC#CCCOC1COC1 34a_100000042726_100009818527 [0,0,0,1,0,0|2,0,1]=4 3518 B12R1.272 CCCC#CCCOC1COC1 7a_100000042726_100009818527 [0,0,0,1,0,0|2,0,1]=4 3519 B12R1.272 CCCC/C=C/COC1COC1 34a_200016272032_100009818527 [0,0,0,1,0,0|2,0,1]=4 3520 B12R1.272 CCCC/C=C/COC1COC1 7a_200016272032_100009818527 [0,0,0,1,0,0|2,0,1]=4 3521 B12R1.272 CCCCC#CCOC1COC1 34a_200000034558_100009818527 [0,0,0,1,0,0|2,0,1]=4 3522 B12R1.272 CCCCC#CCOC1COC1 7a_200000034558_100009818527 [0,0,0,1,0,0|2,0,1]=4 3523 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [0,0,0,1,0,0|3,0,0]=4 3524 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,0,0,1,0,0|3,0,0]=4 3525 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,0,0,1,0,0|3,0,0]=4 3526 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,0,0,1,0,0|2,0,0]=3 3527 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,0,0,1,0,0|2,0,0]=3 3528 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,0,0,1,0,0|2,1,0]=4 3529 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [0,0,0,1,0,0|2,1,0]=4 3530 B12R1.272 CCCCOCCNC1CCC1 2230a_100000749019_100000743108 [0,0,0,1,0,0|3,0,0]=4 3531 B12R1.272 CCCCOCCNC1CCC1 34a_100000749019_100000743108 [0,0,0,1,0,0|3,0,0]=4 3532 B12R1.272 CCCCOCCNC1COC1 2230a_100016991112_100000743108 [0,0,0,1,0,0|2,0,0]=3 3533 B12R1.272 CCCCOCCOC1CCC1 34a_100000210238_100000749161 [0,0,0,1,0,0|2,0,0]=3 3534 B12R1.272 CCCCOCCOC1CCC1 34a_100000748187_100000743108 [0,0,0,1,0,0|2,0,0]=3 3535 B12R1.272 CCCCOCCOC1COC1 34a_100000210238_100009818527 [0,0,0,1,0,0|1,0,0]=2 3536 B12R1.272 CCCCOCCOC1COC1 7a_100000210238_100009818527 [0,0,0,1,0,0|1,0,0]=2 3537 B12R1.272 CCCCOCCOC1CSC1 7a_100000072292_100000743108 [0,0,0,1,0,0|1,1,0]=3 3538 B12R1.272 CCCCOCCSC1CCC1 62a_100000743108_100000749161 [0,0,0,1,0,0|2,1,0]=4 3539 B12R1.272 CCCCOCCSC1COC1 62a_100000743108_100009818527 [0,0,0,1,0,0|1,1,0]=3 3540 B12R1.272 CCCCOCNCC1COC1 2230a_100015281925_100011995733 [0,0,0,1,0,0|3,0,0]=4 3541 B12R1.272 CCCCOCNCC1COC1 34a_100015281925_100011995733 [0,0,0,1,0,0|3,0,0]=4 3542 B12R1.272 CCCCOCOCC1COC1 34a_100000060846_100011995733 [0,0,0,1,0,0|3,0,0]=4 3543 B12R1.272 CCCCOCSCC1COC1 62a_100010264016_100011995733 [0,0,0,1,0,0|3,0,0]=4 3544 B12R1.272 CCCCOCSCC1COC1 62a_100011995733_100010264016 [0,0,0,1,0,0|3,0,0]=4 3545 B12R1.272 CCCCSCCOC1CCC1 34a_200000230436_100000749161 [0,0,0,1,0,0|2,1,0]=4 3546 B12R1.272 CCCCSCCOC1COC1 34a_200000230436_100009818527 [0,0,0,1,0,0|1,1,0]=3 3547 B12R1.272 CCCCSCCOC1COC1 7a_200000230436_100009818527 [0,0,0,1,0,0|1,1,0]=3 3548 B12R1.272 CNCCCCCOC1CCC1 34a_100000722520_100000749161 [0,0,0,1,0,0|3,0,0]=4 3549 B12R1.272 CNCCCCCOC1COC1 34a_100000722520_100009818527 [0,0,0,1,0,0|2,0,0]=3 3550 B12R1.272 CNCCOCCOC1CCC1 34a_100000228057_100000749161 [0,0,0,1,0,0|2,0,0]=3 3551 B12R1.272 CNCCOCCOC1COC1 34a_100000228057_100009818527 [0,0,0,1,0,0|1,0,0]=2 3552 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [0,0,0,1,0,0|3,0,0]=4 3553 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [0,0,0,1,0,0|3,0,0]=4 3554 B12R1.272 COCCCCCNC1COC1 34a_100000747528_100009818527 [0,0,0,1,0,0|2,0,0]=3 3555 B12R1.272 COCCCCNCC1COC1 2230a_100015281925_100000730899 [0,0,0,1,0,0|3,0,0]=4 3556 B12R1.272 COCCCCNCC1COC1 34a_100015281925_100000755781 [0,0,0,1,0,0|3,0,0]=4 3557 B12R1.272 COCCCCOCC1COC1 34a_100000060846_100000755781 [0,0,0,1,0,0|3,0,0]=4 3558 B12R1.272 COCCCCOCC1COC1 34a_100000740925_100010264016 [0,0,0,1,0,0|3,0,0]=4 3559 B12R1.272 COCCCCSCC1COC1 62a_100000730899_100010264016 [0,0,0,1,0,0|3,0,0]=4 3560 B12R1.272 COCCCCSCC1COC1 62a_100010264016_100000730899 [0,0,0,1,0,0|3,0,0]=4 3561 B12R1.272 COCCCOCCC1COC1 34a_100009855314_100000740836 [0,0,0,1,0,0|3,0,0]=4 3562 B12R1.272 COCCOCCCN1CCC1 269982a_100000754969_100011216529 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ClCCCCCCOCC1CO1 7a_100000766143_102125554688 [0,0,0,1,0,0|3,0,0]=4 3718 B12R1.375 ClCCCCCCOC[C@@H]1CO1 7a_100000766143_100000745022 [0,0,0,1,0,0|3,0,0]=4 3719 B12R1.375 FCCCCCCOCC1CO1 34a_100000732779_102125554688 [0,0,0,1,0,0|3,0,0]=4 3720 B12R1.375 FCCCCCCOCC1CO1 7a_100000732779_102125554688 [0,0,0,1,0,0|3,0,0]=4 3721 B12R1.375 FCCCCCCOC[C@@H]1CO1 34a_100000757423_100015922095 [0,0,0,1,0,0|3,0,0]=4 3722 B12R1.375 FCCCCCCOC[C@@H]1CO1 7a_100000732779_100000745022 [0,0,0,1,0,0|3,0,0]=4 3723 B12R1.375 NCCCCCCOCC1CO1 34a_100000686447_102125554688 [0,0,0,1,0,0|3,0,0]=4 3724 B12R1.375 OCCCCCCOC[C@@H]1CO1 34a_100000757423_100000766143 [0,0,0,1,0,0|3,0,0]=4 3725 B12R1.383 CCCCOCCN1CCC1C 269982a_100000755817_100000743108 [0,0,0,1,0,0|3,0,0]=4 3726 B12R1.383 CCCCOCCN1CCC1C 34a_100000755817_100000743108 [0,0,0,1,0,0|3,0,0]=4 3727 B12R1.383 COCCOCCN1CCC1C 269982a_100000755817_100000695917 [0,0,0,1,0,0|2,0,0]=3 3728 B12R1.383 COCCOCCN1CCC1C 34a_100000755817_100000695917 [0,0,0,1,0,0|2,0,0]=3 3729 B12R1.458 COCCCN1CCC1COC 2230a_100015195929_100000740836 [0,0,0,1,0,0|3,0,0]=4 3730 B12R1.458 COCCCN1CCC1COC 269982a_100015195929_100000740836 [0,0,0,1,0,0|3,0,0]=4 3731 B12R1.458 COCCCN1CCC1COC 34a_100015195929_100000740836 [0,0,0,1,0,0|3,0,0]=4 3732 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,0,0,1,0,0|3,0,0]=4 3733 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,0,0,1,0,0|3,0,0]=4 3734 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,0,0,1,0,0|3,0,0]=4 3735 B12R1.1414 COCCNC1CCCCCC1 2230a_100000210984_100011201679 [0,0,0,1,0,0|3,0,0]=4 3736 B12R1.1414 COCCNC1CCCCCC1 270004a_100000209980_100000210131 [0,0,0,1,0,0|3,0,0]=4 3737 B12R1.1414 COCCNC1CCCCCC1 34a_100000210984_100011201679 [0,0,0,1,0,0|3,0,0]=4 3738 B12R1.1414 COCCNC1CSCCSC1 270004a_100000209980_100000068409 [0,0,0,1,0,0|1,2,0]=4 3739 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,0,0,1,0,0|2,0,0]=3 3740 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,0,0,1,0,0|2,0,0]=3 3741 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,0,0,1,0,0|2,0,0]=3 3742 B12R1.1414 COCCSC1CCCCCC1 62a_100000233755_100011217769 [0,0,0,1,0,0|2,1,0]=4 3743 B12R1.1414 COCCSC1CCCCCC1 62a_100011217769_100000233755 [0,0,0,1,0,0|2,1,0]=4 3744 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,0,0,1,0,0|2,1,0]=4 3745 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,0,0,1,0,0|2,1,0]=4 3746 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,0,0,1,0,0|2,1,0]=4 3747 B12R1.1414 NOCCOC1CCCCCC1 34a_100000700252_100011217769 [0,0,0,1,0,0|3,0,0]=4 3748 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [2,0,0,0,0,0|1,0,1]=4 3749 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [2,0,0,0,0,0|1,0,1]=4 3750 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [2,0,0,0,0,0|1,0,1]=4 3751 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [2,0,0,0,0,0|1,0,1]=4 3752 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [2,0,0,0,0,0|1,0,1]=4 3753 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [2,0,0,0,0,0|1,0,1]=4 3754 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [2,0,0,0,0,0|1,0,1]=4 3755 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [2,0,0,0,0,0|1,0,1]=4 3756 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [2,0,0,0,0,0|1,0,1]=4 3757 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [2,0,0,0,0,0|1,0,1]=4 3758 B9R0.45 C#CCCCOCCOC 34a_100000210237_100000695029 [2,0,0,0,0,0|0,0,2]=4 3759 B9R0.45 C#CCCCOCCOC 34a_100000215630_100011201679 [2,0,0,0,0,0|0,0,2]=4 3760 B9R0.45 C#CCCCOCCOC 7a_100000215630_100000233755 [2,0,0,0,0,0|0,0,2]=4 3761 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [2,0,0,0,0,0|1,0,1]=4 3762 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [2,0,0,0,0,0|1,0,1]=4 3763 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [2,0,0,0,0,0|1,0,1]=4 3764 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [2,0,0,0,0,0|1,0,1]=4 3765 B9R0.45 C#CCCOCCCOC 34a_100000740835_100000688953 [2,0,0,0,0,0|1,0,1]=4 3766 B9R0.45 C#CCCOCCCOC 34a_100011215631_100000740836 [2,0,0,0,0,0|1,0,1]=4 3767 B9R0.45 C#CCCOCCOCC 34a_100000210136_100000688953 [2,0,0,0,0,0|1,0,1]=4 3768 B9R0.45 C#CCCOCCOCC 34a_100011215631_100000210147 [2,0,0,0,0,0|1,0,1]=4 3769 B9R0.45 C#CCCOCCOCC 7a_100000210136_100000688953 [2,0,0,0,0,0|1,0,1]=4 3770 B9R0.45 C#CCOCCCCOC 34a_100000210247_100000755781 [2,0,0,0,0,0|0,0,2]=4 3771 B9R0.45 C#CCOCCCCOC 34a_100000740925_100000184674 [2,0,0,0,0,0|0,0,2]=4 3772 B9R0.45 C#CCOCCOCCC 34a_100000054580_100000210303 [2,0,0,0,0,0|0,0,2]=4 3773 B9R0.45 C#CCOCCOCCC 34a_100000210247_100011215938 [2,0,0,0,0,0|0,0,2]=4 3774 B9R0.45 C#CCOCCOCCC 34a_100000210258_100010402529 [2,0,0,0,0,0|0,0,2]=4 3775 B9R0.45 C#CCOCCOCCC 34a_100000752267_100000184674 [2,0,0,0,0,0|0,0,2]=4 3776 B9R0.45 C#CCOCCOCCC 7a_100000054580_100000210303 [2,0,0,0,0,0|0,0,2]=4 3777 B9R0.45 C#CCOCCOCCC 7a_100000752267_100000038162 [2,0,0,0,0,0|0,0,2]=4 3778 B9R0.45 C#CCOCCOCCO 34a_100000054580_100000211926 [2,0,0,0,0,0|0,0,2]=4 3779 B9R0.45 C#CCOCCOCCO 34a_100000210247_100000692535 [2,0,0,0,0,0|0,0,2]=4 3780 B9R0.45 C#CCOCCOCCO 7a_100000054580_100000211926 [2,0,0,0,0,0|0,0,2]=4 3781 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [2,0,0,0,0,0|0,0,2]=4 3782 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 3783 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,1]=4 3784 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 3785 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [2,0,0,0,0,0|1,0,1]=4 3786 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [2,0,0,0,0,0|1,0,1]=4 3787 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [2,0,0,0,0,0|1,0,1]=4 3788 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [2,0,0,0,0,0|1,0,1]=4 3789 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [2,0,0,0,0,0|1,0,1]=4 3790 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [2,0,0,0,0,0|1,0,1]=4 3791 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,1]=4 3792 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 3793 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 3794 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 3795 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 3796 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 3797 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 3798 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 3799 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [2,0,0,0,0,0|1,0,1]=4 3800 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [2,0,0,0,0,0|1,0,1]=4 3801 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [2,0,0,0,0,0|0,0,2]=4 3802 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [2,0,0,0,0,0|0,0,2]=4 3803 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [2,0,0,0,0,0|0,0,2]=4 3804 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 3805 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 3806 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 3807 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [2,0,0,0,0,0|1,0,1]=4 3808 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [2,0,0,0,0,0|1,0,1]=4 3809 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [2,0,0,0,0,0|1,0,1]=4 3810 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [2,0,0,0,0,0|1,0,1]=4 3811 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [2,0,0,0,0,0|1,0,1]=4 3812 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [2,0,0,0,0,0|1,0,1]=4 3813 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [2,0,0,0,0,0|0,0,2]=4 3814 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [2,0,0,0,0,0|0,0,2]=4 3815 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [2,0,0,0,0,0|0,0,2]=4 3816 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [2,0,0,0,0,0|0,0,2]=4 3817 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [2,0,0,0,0,0|0,0,2]=4 3818 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [2,0,0,0,0,0|0,0,2]=4 3819 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [2,0,0,0,0,0|0,0,2]=4 3820 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [2,0,0,0,0,0|0,0,2]=4 3821 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [2,0,0,0,0,0|0,0,2]=4 3822 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [2,0,0,0,0,0|0,0,2]=4 3823 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [2,0,0,0,0,0|0,0,2]=4 3824 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [2,0,0,0,0,0|0,0,2]=4 3825 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [2,0,0,0,0,0|0,0,2]=4 3826 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [2,0,0,0,0,0|0,0,2]=4 3827 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [2,0,0,0,0,0|0,0,2]=4 3828 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [2,0,0,0,0,0|0,0,2]=4 3829 B9R0.45 CC#CCCOCCOC 34a_100000750427_100011201679 [2,0,0,0,0,0|0,0,2]=4 3830 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [2,0,0,0,0,0|1,0,1]=4 3831 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [2,0,0,0,0,0|1,0,1]=4 3832 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [2,0,0,0,0,0|1,0,1]=4 3833 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [2,0,0,0,0,0|1,0,1]=4 3834 B9R0.45 CC#CCOCCCOC 34a_100000740835_100000748600 [2,0,0,0,0,0|1,0,1]=4 3835 B9R0.45 CC#CCOCCCOC 34a_100000761923_100000740836 [2,0,0,0,0,0|1,0,1]=4 3836 B9R0.45 CC#CCOCCOCC 34a_100000210136_100000748600 [2,0,0,0,0,0|1,0,1]=4 3837 B9R0.45 CC#CCOCCOCC 34a_100000761923_100000210147 [2,0,0,0,0,0|1,0,1]=4 3838 B9R0.45 CC#CCOCCOCC 7a_100000210136_100000748600 [2,0,0,0,0,0|1,0,1]=4 3839 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 3840 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 3841 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 3842 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 3843 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [2,0,0,0,0,0|1,0,1]=4 3844 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 3845 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 3846 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [2,0,0,0,0,0|1,0,1]=4 3847 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [2,0,0,0,0,0|1,0,1]=4 3848 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [2,0,0,0,0,0|0,0,2]=4 3849 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [2,0,0,0,0,0|0,0,2]=4 3850 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,1]=4 3851 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [2,0,0,0,0,0|1,0,1]=4 3852 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 3853 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 3854 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [2,0,0,0,0,0|1,0,1]=4 3855 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [2,0,0,0,0,0|1,0,1]=4 3856 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [2,0,0,0,0,0|1,0,1]=4 3857 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [2,0,0,0,0,0|1,0,1]=4 3858 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [2,0,0,0,0,0|1,0,1]=4 3859 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [2,0,0,0,0,0|1,0,1]=4 3860 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [2,0,0,0,0,0|1,0,1]=4 3861 B9R0.45 CCC#CCOCCOC 34a_100000032950_100011201679 [2,0,0,0,0,0|0,0,2]=4 3862 B9R0.45 CCC#CCOCCOC 34a_100000210237_100009813939 [2,0,0,0,0,0|0,0,2]=4 3863 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 3864 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 3865 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [2,0,0,0,0,0|1,0,1]=4 3866 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [2,0,0,0,0,0|1,0,1]=4 3867 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [2,0,0,0,0,0|1,0,1]=4 3868 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [2,0,0,0,0,0|1,0,1]=4 3869 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [2,0,0,0,0,0|1,0,1]=4 3870 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [2,0,0,0,0,0|1,0,1]=4 3871 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [2,0,0,0,0,0|1,0,1]=4 3872 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [2,0,0,0,0,0|1,0,1]=4 3873 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [2,0,0,0,0,0|1,0,1]=4 3874 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [2,0,0,0,0,0|1,0,1]=4 3875 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [2,0,0,0,0,0|1,0,1]=4 3876 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [2,0,0,0,0,0|1,0,1]=4 3877 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [2,0,0,0,0,0|1,0,1]=4 3878 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [2,0,0,0,0,0|1,0,1]=4 3879 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [2,0,0,0,0,0|1,0,1]=4 3880 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [2,0,0,0,0,0|1,0,1]=4 3881 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [2,0,0,0,0,0|1,0,1]=4 3882 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [2,0,0,0,0,0|1,0,1]=4 3883 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [2,0,0,0,0,0|1,0,1]=4 3884 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [2,0,0,0,0,0|1,0,1]=4 3885 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [2,0,0,0,0,0|1,0,1]=4 3886 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [2,0,0,0,0,0|1,0,1]=4 3887 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [2,0,0,0,0,0|1,0,1]=4 3888 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|2,0,0]=4 3889 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|2,0,0]=4 3890 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|2,0,0]=4 3891 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|2,0,0]=4 3892 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|2,0,0]=4 3893 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|2,0,0]=4 3894 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|2,0,0]=4 3895 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 3896 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,0]=3 3897 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 3898 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 3899 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 3900 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,1,0]=4 3901 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,1,0]=4 3902 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,1,0]=4 3903 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,1,0]=4 3904 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|2,0,0]=4 3905 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|2,0,0]=4 3906 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|2,0,0]=4 3907 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|2,0,0]=4 3908 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|2,0,0]=4 3909 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|2,0,0]=4 3910 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|2,0,0]=4 3911 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|2,0,0]=4 3912 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|2,0,0]=4 3913 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,0]=3 3914 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 3915 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 3916 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 3917 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 3918 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|2,0,0]=4 3919 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 3920 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 3921 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|1,1,0]=4 3922 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,1,0]=4 3923 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,1,0]=4 3924 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,1,0]=4 3925 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,1,0]=4 3926 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|1,1,0]=4 3927 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|1,1,0]=4 3928 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|2,0,0]=4 3929 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|2,0,0]=4 3930 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|2,0,0]=4 3931 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|1,0,0]=3 3932 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|1,0,0]=3 3933 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|1,0,0]=3 3934 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|1,0,0]=3 3935 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|1,1,0]=4 3936 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|1,1,0]=4 3937 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [2,0,0,0,0,0|2,0,0]=4 3938 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|2,0,0]=4 3939 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,0]=3 3940 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,0]=3 3941 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,0]=3 3942 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,0]=3 3943 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|2,0,0]=4 3944 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 3945 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|2,0,0]=4 3946 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 3947 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|2,0,0]=4 3948 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|2,0,0]=4 3949 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|2,0,0]=4 3950 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|0,0,0]=2 3951 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|0,0,0]=2 3952 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|0,0,0]=2 3953 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|0,0,0]=2 3954 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|0,0,0]=2 3955 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [2,0,0,0,0,0|1,0,0]=3 3956 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|0,0,0]=2 3957 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|0,0,0]=2 3958 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|0,1,0]=3 3959 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|0,1,0]=3 3960 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|0,1,0]=3 3961 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|0,1,0]=3 3962 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,1,0]=4 3963 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,1,0]=4 3964 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|0,1,0]=3 3965 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|0,1,0]=3 3966 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|0,2,0]=4 3967 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|0,2,0]=4 3968 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|2,0,0]=4 3969 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|2,0,0]=4 3970 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 3971 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|2,0,0]=4 3972 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|2,0,0]=4 3973 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|2,0,0]=4 3974 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|2,0,0]=4 3975 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [2,0,0,0,0,0|2,0,0]=4 3976 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [2,0,0,0,0,0|2,0,0]=4 3977 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [2,0,0,0,0,0|2,0,0]=4 3978 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [2,0,0,0,0,0|2,0,0]=4 3979 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|2,0,0]=4 3980 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|2,0,0]=4 3981 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|2,0,0]=4 3982 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 3983 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|2,0,0]=4 3984 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 3985 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|2,0,0]=4 3986 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|2,0,0]=4 3987 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 3988 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,0]=3 3989 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,0]=3 3990 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 3991 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|2,0,0]=4 3992 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 3993 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 3994 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 3995 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 3996 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|1,0,0]=3 3997 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 3998 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 3999 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 4000 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 4001 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 4002 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|1,1,0]=4 4003 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|1,1,0]=4 4004 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [2,0,0,0,0,0|2,0,0]=4 4005 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|1,0,0]=3 4006 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|1,0,0]=3 4007 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|1,0,0]=3 4008 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|1,0,0]=3 4009 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|1,0,0]=3 4010 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|1,0,0]=3 4011 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|1,0,0]=3 4012 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [2,0,0,0,0,0|2,0,0]=4 4013 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [2,0,0,0,0,0|2,0,0]=4 4014 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [2,0,0,0,0,0|1,1,0]=4 4015 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [2,0,0,0,0,0|1,1,0]=4 4016 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [2,0,0,0,0,0|1,1,0]=4 4017 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [2,0,0,0,0,0|1,1,0]=4 4018 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [2,0,0,0,0,0|1,1,0]=4 4019 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [2,0,0,0,0,0|1,1,0]=4 4020 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [2,0,0,0,0,0|2,0,0]=4 4021 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [2,0,0,0,0,0|2,0,0]=4 4022 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [2,0,0,0,0,0|2,0,0]=4 4023 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [2,0,0,0,0,0|1,0,0]=3 4024 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [2,0,0,0,0,0|2,0,0]=4 4025 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [2,0,0,0,0,0|1,1,0]=4 4026 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [2,0,0,0,0,0|1,1,0]=4 4027 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [2,0,0,0,0,0|1,1,0]=4 4028 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [2,0,0,0,0,0|1,1,0]=4 4029 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [2,0,0,0,0,0|1,1,0]=4 4030 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [2,0,0,0,0,0|1,1,0]=4 4031 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,1,0]=4 4032 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,1,0]=4 4033 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|1,1,0]=4 4034 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|1,1,0]=4 4035 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [2,0,0,0,0,0|1,1,0]=4 4036 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [2,0,0,0,0,0|1,1,0]=4 4037 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [2,0,0,0,0,0|1,1,0]=4 4038 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [2,0,0,0,0,0|1,1,0]=4 4039 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 4040 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 4041 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [2,0,0,0,0,0|1,0,0]=3 4042 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [2,0,0,0,0,0|1,0,0]=3 4043 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [2,0,0,0,0,0|1,0,0]=3 4044 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [2,0,0,0,0,0|1,0,0]=3 4045 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [2,0,0,0,0,0|1,1,0]=4 4046 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [2,0,0,0,0,0|1,1,0]=4 4047 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 4048 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 4049 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 4050 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 4051 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|2,0,0]=4 4052 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 4053 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 4054 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 4055 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,0]=3 4056 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|0,0,0]=2 4057 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|0,0,0]=2 4058 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|0,1,0]=3 4059 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|0,1,0]=3 4060 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 4061 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 4062 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|2,0,0]=4 4063 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 4064 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 4065 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 4066 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 4067 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [2,0,0,0,0,0|2,0,0]=4 4068 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [2,0,0,0,0,0|2,0,0]=4 4069 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [2,0,0,0,0,0|2,0,0]=4 4070 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [2,0,0,0,0,0|1,0,0]=3 4071 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [2,0,0,0,0,0|1,0,0]=3 4072 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [2,0,0,0,0,0|1,0,0]=3 4073 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [2,0,0,0,0,0|1,0,0]=3 4074 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [2,0,0,0,0,0|1,0,0]=3 4075 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [2,0,0,0,0,0|1,1,0]=4 4076 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [2,0,0,0,0,0|1,1,0]=4 4077 B9R0.45 CCCOCCOCC#N 7a_100000752267_100011215382 [2,0,0,0,0,0|1,0,1]=4 4078 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|0,0,2]=4 4079 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|0,0,2]=4 4080 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [2,0,0,0,0,0|1,0,0]=3 4081 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [2,0,0,0,0,0|1,0,0]=3 4082 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [2,0,0,0,0,0|1,0,0]=3 4083 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [2,0,0,0,0,0|0,0,0]=2 4084 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [2,0,0,0,0,0|0,0,0]=2 4085 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [2,0,0,0,0,0|0,0,0]=2 4086 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [2,0,0,0,0,0|1,0,0]=3 4087 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [2,0,0,0,0,0|1,0,0]=3 4088 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [2,0,0,0,0,0|1,0,0]=3 4089 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [2,0,0,0,0,0|1,0,0]=3 4090 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [2,0,0,0,0,0|1,0,0]=3 4091 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [2,0,0,0,0,0|1,0,0]=3 4092 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [2,0,0,0,0,0|1,0,0]=3 4093 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [2,0,0,0,0,0|1,0,0]=3 4094 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [2,0,0,0,0,0|1,0,0]=3 4095 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [2,0,0,0,0,0|1,0,0]=3 4096 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [2,0,0,0,0,0|0,0,0]=2 4097 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [2,0,0,0,0,0|0,0,0]=2 4098 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [2,0,0,0,0,0|0,0,0]=2 4099 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [2,0,0,0,0,0|0,1,0]=3 4100 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [2,0,0,0,0,0|0,1,0]=3 4101 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [2,0,0,0,0,0|0,1,0]=3 4102 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [2,0,0,0,0,0|0,1,0]=3 4103 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [2,0,0,0,0,0|0,1,0]=3 4104 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [2,0,0,0,0,0|1,1,0]=4 4105 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [2,0,0,0,0,0|1,1,0]=4 4106 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [2,0,0,0,0,0|0,1,0]=3 4107 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [2,0,0,0,0,0|0,1,0]=3 4108 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [2,0,0,0,0,0|0,1,0]=3 4109 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [2,0,0,0,0,0|0,1,0]=3 4110 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [2,0,0,0,0,0|0,2,0]=4 4111 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [2,0,0,0,0,0|0,2,0]=4 4112 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,1,0]=4 4113 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,1,0]=4 4114 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|0,1,0]=3 4115 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|0,1,0]=3 4116 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [2,0,0,0,0,0|1,1,0]=4 4117 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [2,0,0,0,0,0|1,1,0]=4 4118 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [2,0,0,0,0,0|1,1,0]=4 4119 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [2,0,0,0,0,0|1,1,0]=4 4120 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [2,0,0,0,0,0|0,1,0]=3 4121 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [2,0,0,0,0,0|0,1,0]=3 4122 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [2,0,0,0,0,0|0,1,0]=3 4123 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [2,0,0,0,0,0|0,1,0]=3 4124 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [2,0,0,0,0,0|0,2,0]=4 4125 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [2,0,0,0,0,0|0,1,0]=3 4126 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [2,0,0,0,0,0|0,1,0]=3 4127 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 4128 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 4129 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [2,0,0,0,0,0|1,0,0]=3 4130 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [2,0,0,0,0,0|1,0,0]=3 4131 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [2,0,0,0,0,0|1,0,0]=3 4132 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|2,0,0]=4 4133 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [2,0,0,0,0,0|2,0,0]=4 4134 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 4135 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 4136 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [2,0,0,0,0,0|2,0,0]=4 4137 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [2,0,0,0,0,0|2,0,0]=4 4138 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [2,0,0,0,0,0|1,0,0]=3 4139 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [2,0,0,0,0,0|1,0,0]=3 4140 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [2,0,0,0,0,0|1,0,0]=3 4141 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [2,0,0,0,0,0|1,1,0]=4 4142 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [2,0,0,0,0,0|1,1,0]=4 4143 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [2,0,0,0,0,0|1,1,0]=4 4144 B9R0.45 CCOCCOCCC#N 7a_100000210136_100000184422 [2,0,0,0,0,0|2,0,0]=4 4145 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [2,0,0,0,0,0|2,0,0]=4 4146 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [2,0,0,0,0,0|2,0,0]=4 4147 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [2,0,0,0,0,0|2,0,0]=4 4148 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [2,0,0,0,0,0|2,0,0]=4 4149 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [2,0,0,0,0,0|2,0,0]=4 4150 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [2,0,0,0,0,0|2,0,0]=4 4151 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [2,0,0,0,0,0|2,0,0]=4 4152 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [2,0,0,0,0,0|2,0,0]=4 4153 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [2,0,0,0,0,0|1,0,0]=3 4154 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [2,0,0,0,0,0|1,0,0]=3 4155 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [2,0,0,0,0,0|1,0,0]=3 4156 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [2,0,0,0,0,0|1,0,0]=3 4157 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [2,0,0,0,0,0|1,0,0]=3 4158 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [2,0,0,0,0,0|1,0,0]=3 4159 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [2,0,0,0,0,0|1,0,0]=3 4160 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [2,0,0,0,0,0|1,0,0]=3 4161 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [2,0,0,0,0,0|0,0,0]=2 4162 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [2,0,0,0,0,0|0,0,0]=2 4163 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [2,0,0,0,0,0|0,0,0]=2 4164 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [2,0,0,0,0,0|0,0,0]=2 4165 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [2,0,0,0,0,0|0,0,0]=2 4166 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [2,0,0,0,0,0|0,0,0]=2 4167 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [2,0,0,0,0,0|0,0,0]=2 4168 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [2,0,0,0,0,0|0,0,0]=2 4169 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [2,0,0,0,0,0|0,0,0]=2 4170 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [2,0,0,0,0,0|1,0,0]=3 4171 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [2,0,0,0,0,0|0,0,0]=2 4172 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [2,0,0,0,0,0|0,0,0]=2 4173 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [2,0,0,0,0,0|0,1,0]=3 4174 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [2,0,0,0,0,0|0,1,0]=3 4175 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [2,0,0,0,0,0|0,1,0]=3 4176 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [2,0,0,0,0,0|0,1,0]=3 4177 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [2,0,0,0,0,0|0,1,0]=3 4178 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [2,0,0,0,0,0|0,1,0]=3 4179 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [2,0,0,0,0,0|0,1,0]=3 4180 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [2,0,0,0,0,0|0,1,0]=3 4181 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [2,0,0,0,0,0|0,1,0]=3 4182 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [2,0,0,0,0,0|0,1,0]=3 4183 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [2,0,0,0,0,0|0,2,0]=4 4184 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [2,0,0,0,0,0|0,2,0]=4 4185 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [2,0,0,0,0,0|2,0,0]=4 4186 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [2,0,0,0,0,0|2,0,0]=4 4187 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 4188 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 4189 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [2,0,0,0,0,0|1,1,0]=4 4190 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [2,0,0,0,0,0|1,1,0]=4 4191 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [2,0,0,0,0,0|0,1,0]=3 4192 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [2,0,0,0,0,0|0,1,0]=3 4193 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [2,0,0,0,0,0|0,1,0]=3 4194 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [2,0,0,0,0,0|0,1,0]=3 4195 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [2,0,0,0,0,0|0,1,0]=3 4196 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [2,0,0,0,0,0|1,1,0]=4 4197 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [2,0,0,0,0,0|0,2,0]=4 4198 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [2,0,0,0,0,0|0,2,0]=4 4199 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [2,0,0,0,0,0|0,2,0]=4 4200 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [2,0,0,0,0,0|0,2,0]=4 4201 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [2,0,0,0,0,0|0,2,0]=4 4202 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [2,0,0,0,0,0|0,2,0]=4 4203 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 4204 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|2,0,0]=4 4205 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 4206 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|2,0,0]=4 4207 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|2,0,0]=4 4208 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|1,0,0]=3 4209 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|1,0,0]=3 4210 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|1,0,0]=3 4211 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [2,0,0,0,0,0|1,0,0]=3 4212 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [2,0,0,0,0,0|1,0,0]=3 4213 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [2,0,0,0,0,0|1,0,0]=3 4214 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [2,0,0,0,0,0|1,0,0]=3 4215 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [2,0,0,0,0,0|1,0,0]=3 4216 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [2,0,0,0,0,0|1,0,0]=3 4217 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [2,0,0,0,0,0|1,1,0]=4 4218 B9R0.45 CNCCOCCOCF 34a_100000228057_100015361967 [2,0,0,0,0,0|2,0,0]=4 4219 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4220 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4221 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 4222 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,0]=3 4223 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|0,0,0]=2 4224 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|0,0,0]=2 4225 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|0,0,0]=2 4226 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|0,0,0]=2 4227 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|0,0,0]=2 4228 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|0,1,0]=3 4229 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|0,1,0]=3 4230 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|0,1,0]=3 4231 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|0,1,0]=3 4232 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [2,0,0,0,0,0|2,0,0]=4 4233 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [2,0,0,0,0,0|1,0,0]=3 4234 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [2,0,0,0,0,0|1,0,0]=3 4235 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|0,0,2]=4 4236 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [2,0,0,0,0,0|1,0,0]=3 4237 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [2,0,0,0,0,0|1,0,0]=3 4238 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [2,0,0,0,0,0|1,0,0]=3 4239 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [2,0,0,0,0,0|0,0,0]=2 4240 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [2,0,0,0,0,0|0,1,0]=3 4241 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [2,0,0,0,0,0|1,1,0]=4 4242 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [2,0,0,0,0,0|1,1,0]=4 4243 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [2,0,0,0,0,0|0,1,0]=3 4244 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [2,0,0,0,0,0|0,1,0]=3 4245 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [2,0,0,0,0,0|0,1,0]=3 4246 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [2,0,0,0,0,0|0,1,0]=3 4247 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [2,0,0,0,0,0|0,2,0]=4 4248 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [2,0,0,0,0,0|0,2,0]=4 4249 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [2,0,0,0,0,0|2,0,0]=4 4250 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [2,0,0,0,0,0|1,0,0]=3 4251 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [2,0,0,0,0,0|1,0,0]=3 4252 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [2,0,0,0,0,0|1,1,0]=4 4253 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [2,0,0,0,0,0|1,1,0]=4 4254 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [2,0,0,0,0,0|2,0,0]=4 4255 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [2,0,0,0,0,0|2,0,0]=4 4256 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [2,0,0,0,0,0|2,0,0]=4 4257 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [2,0,0,0,0,0|2,0,0]=4 4258 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [2,0,0,0,0,0|2,0,0]=4 4259 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 4260 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 4261 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [2,0,0,0,0,0|0,0,0]=2 4262 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [2,0,0,0,0,0|0,0,0]=2 4263 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [2,0,0,0,0,0|0,0,0]=2 4264 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [2,0,0,0,0,0|1,0,0]=3 4265 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [2,0,0,0,0,0|0,1,0]=3 4266 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [2,0,0,0,0,0|0,1,0]=3 4267 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [2,0,0,0,0,0|0,1,0]=3 4268 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [2,0,0,0,0,0|2,0,0]=4 4269 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [2,0,0,0,0,0|2,0,0]=4 4270 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [2,0,0,0,0,0|0,1,0]=3 4271 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [2,0,0,0,0,0|0,1,0]=3 4272 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [2,0,0,0,0,0|0,2,0]=4 4273 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [2,0,0,0,0,0|0,2,0]=4 4274 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [2,0,0,0,0,0|2,0,0]=4 4275 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [2,0,0,0,0,0|1,0,0]=3 4276 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [2,0,0,0,0,0|1,0,0]=3 4277 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [2,0,0,0,0,0|1,0,0]=3 4278 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [2,0,0,0,0,0|1,1,0]=4 4279 B9R0.45 COCCOCC#CCO 34a_100000210237_200000047223 [2,0,0,0,0,0|0,0,2]=4 4280 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [2,0,0,0,0,0|1,0,0]=3 4281 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [2,0,0,0,0,0|1,0,0]=3 4282 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [2,0,0,0,0,0|1,0,0]=3 4283 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [2,0,0,0,0,0|1,0,0]=3 4284 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [2,0,0,0,0,0|1,0,0]=3 4285 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [2,0,0,0,0,0|1,0,0]=3 4286 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [2,0,0,0,0,0|1,0,0]=3 4287 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [2,0,0,0,0,0|1,0,0]=3 4288 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|0,0,0]=2 4289 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [2,0,0,0,0,0|1,0,0]=3 4290 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [2,0,0,0,0,0|1,0,0]=3 4291 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [2,0,0,0,0,0|0,1,0]=3 4292 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [2,0,0,0,0,0|0,1,0]=3 4293 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [2,0,0,0,0,0|0,1,0]=3 4294 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [2,0,0,0,0,0|0,1,0]=3 4295 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [2,0,0,0,0,0|0,1,0]=3 4296 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [2,0,0,0,0,0|0,1,0]=3 4297 B9R0.45 COCCOCCNCF 34a_100000745349_100015361967 [2,0,0,0,0,0|2,0,0]=4 4298 B9R0.45 COCCOCCOCF 34a_100011215163_100015361967 [2,0,0,0,0,0|1,0,0]=3 4299 B9R0.45 COCCOCCOCF 7a_100011215163_100015361967 [2,0,0,0,0,0|1,0,0]=3 4300 B9R0.45 COCCOCCSCF 62a_100000695917_100015361967 [2,0,0,0,0,0|1,1,0]=4 4301 B9R0.45 COCCOCCSCF 62a_100015361967_100000695917 [2,0,0,0,0,0|1,1,0]=4 4302 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [2,0,0,0,0,0|1,0,0]=3 4303 B9R0.45 COCCOCSCCF 62a_100000231047_100011217306 [2,0,0,0,0,0|1,1,0]=4 4304 B9R0.45 COCCOCSCCF 62a_100011217306_100000231047 [2,0,0,0,0,0|1,1,0]=4 4305 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [2,0,0,0,0,0|0,1,0]=3 4306 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [2,0,0,0,0,0|0,1,0]=3 4307 B9R0.45 COCCOCSCOC 62a_100000231047_100000766300 [2,0,0,0,0,0|0,1,0]=3 4308 B9R0.45 COCCOCSCOC 62a_100000766300_100000231047 [2,0,0,0,0,0|0,1,0]=3 4309 B9R0.45 COCCOCSCSC 62a_100000231047_100011218213 [2,0,0,0,0,0|0,2,0]=4 4310 B9R0.45 COCCOCSCSC 62a_100011218213_100000231047 [2,0,0,0,0,0|0,2,0]=4 4311 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [2,0,0,0,0,0|1,1,0]=4 4312 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [2,0,0,0,0,0|1,1,0]=4 4313 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [2,0,0,0,0,0|0,1,0]=3 4314 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [2,0,0,0,0,0|0,1,0]=3 4315 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [2,0,0,0,0,0|2,0,0]=4 4316 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [2,0,0,0,0,0|1,0,0]=3 4317 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [2,0,0,0,0,0|1,1,0]=4 4318 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [2,0,0,0,0,0|1,1,0]=4 4319 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [2,0,0,0,0,0|1,1,0]=4 4320 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [2,0,0,0,0,0|0,1,0]=3 4321 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [2,0,0,0,0,0|0,1,0]=3 4322 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,1,0]=4 4323 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,1,0]=4 4324 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [2,0,0,0,0,0|1,1,0]=4 4325 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [2,0,0,0,0,0|1,1,0]=4 4326 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [2,0,0,0,0,0|0,1,0]=3 4327 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [2,0,0,0,0,0|0,1,0]=3 4328 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [2,0,0,0,0,0|0,2,0]=4 4329 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [2,0,0,0,0,0|0,2,0]=4 4330 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [2,0,0,0,0,0|0,2,0]=4 4331 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [2,0,0,0,0,0|1,1,0]=4 4332 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [2,0,0,0,0,0|1,1,0]=4 4333 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [2,0,0,0,0,0|1,1,0]=4 4334 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [2,0,0,0,0,0|1,1,0]=4 4335 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [2,0,0,0,0,0|1,1,0]=4 4336 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [2,0,0,0,0,0|1,1,0]=4 4337 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [2,0,0,0,0,0|1,1,0]=4 4338 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [2,0,0,0,0,0|1,1,0]=4 4339 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [2,0,0,0,0,0|1,1,0]=4 4340 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [2,0,0,0,0,0|1,1,0]=4 4341 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [2,0,0,0,0,0|1,1,0]=4 4342 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [2,0,0,0,0,0|1,1,0]=4 4343 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [2,0,0,0,0,0|0,1,0]=3 4344 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [2,0,0,0,0,0|0,1,0]=3 4345 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [2,0,0,0,0,0|0,2,0]=4 4346 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [2,0,0,0,0,0|0,2,0]=4 4347 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [2,0,0,0,0,0|1,1,0]=4 4348 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [2,0,0,0,0,0|1,1,0]=4 4349 B9R0.45 CSCOCCOCCBr 34a_100000692535_100011218213 [2,0,0,0,0,0|1,1,0]=4 4350 B9R0.45 CSCOCCOCCCl 34a_100011215305_100011218213 [2,0,0,0,0,0|1,1,0]=4 4351 B9R0.45 CSCOCCOCCF 34a_200015357709_100011218213 [2,0,0,0,0,0|1,1,0]=4 4352 B9R0.45 CSCOCCOCCI 34a_100012149058_100011218213 [2,0,0,0,0,0|1,1,0]=4 4353 B9R0.45 CSCOCCOCCN 34a_100000211614_100011218213 [2,0,0,0,0,0|1,1,0]=4 4354 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [2,0,0,0,0,0|0,2,0]=4 4355 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [2,0,0,0,0,0|0,2,0]=4 4356 B9R0.45 FCCOCCOCCBr 34a_100000692535_100011217306 [2,0,0,0,0,0|2,0,0]=4 4357 B9R0.45 FCCOCCOCCBr 7a_100000692535_100011217306 [2,0,0,0,0,0|2,0,0]=4 4358 B9R0.45 FCCOCCOCCCl 34a_100011215305_100011217306 [2,0,0,0,0,0|2,0,0]=4 4359 B9R0.45 FCCOCCOCCCl 7a_100011215305_100011217306 [2,0,0,0,0,0|2,0,0]=4 4360 B9R0.45 FCCOCCOCCF 34a_200015357709_100011217306 [2,0,0,0,0,0|2,0,0]=4 4361 B9R0.45 FCCOCCOCCF 7a_200015357709_100011217306 [2,0,0,0,0,0|2,0,0]=4 4362 B9R0.45 FCCOCCOCCI 34a_100012149058_100011217306 [2,0,0,0,0,0|2,0,0]=4 4363 B9R0.45 FCCOCCOCCI 7a_100012149058_100011217306 [2,0,0,0,0,0|2,0,0]=4 4364 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 4365 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [2,0,0,0,0,0|2,0,0]=4 4366 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [2,0,0,0,0,0|2,0,0]=4 4367 B9R0.45 NCCOCCOCCF 34a_100000211614_100011217306 [2,0,0,0,0,0|2,0,0]=4 4368 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [2,0,0,0,0,0|1,0,0]=3 4369 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [2,0,0,0,0,0|1,0,0]=3 4370 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [2,0,0,0,0,0|2,0,0]=4 4371 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [2,0,0,0,0,0|1,0,0]=3 4372 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 4373 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [2,0,0,0,0,0|2,0,0]=4 4374 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 4375 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [2,0,0,0,0,0|2,0,0]=4 4376 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 4377 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [2,0,0,0,0,0|1,1,0]=4 4378 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [2,0,0,0,0,0|1,1,0]=4 4379 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [2,0,0,0,0,0|2,0,0]=4 4380 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [2,0,0,0,0,0|2,0,0]=4 4381 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [2,0,0,0,0,0|2,0,0]=4 4382 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [2,0,0,0,0,0|1,0,0]=3 4383 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [2,0,0,0,0,0|1,0,0]=3 4384 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [2,0,0,0,0,0|1,0,0]=3 4385 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [2,0,0,0,0,0|1,0,0]=3 4386 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [2,0,0,0,0,0|1,1,0]=4 4387 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 4388 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 4389 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 4390 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 4391 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 4392 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 4393 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [2,0,0,0,0,0|2,0,0]=4 4394 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [2,0,0,0,0,0|2,0,0]=4 4395 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [2,0,0,0,0,0|2,0,0]=4 4396 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [2,0,0,0,0,0|1,0,0]=3 4397 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [2,0,0,0,0,0|1,0,0]=3 4398 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [2,0,0,0,0,0|1,0,0]=3 4399 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [2,0,0,0,0,0|1,0,0]=3 4400 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [2,0,0,0,0,0|1,0,0]=3 4401 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [2,0,0,0,0,0|1,0,0]=3 4402 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [2,0,0,0,0,0|1,0,0]=3 4403 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [2,0,0,0,0,0|1,0,0]=3 4404 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [2,0,0,0,0,0|1,0,0]=3 4405 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [2,0,0,0,0,0|1,1,0]=4 4406 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [2,0,0,0,0,0|1,1,0]=4 4407 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [2,0,0,0,0,0|0,1,0]=3 4408 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [2,0,0,0,0,0|0,1,0]=3 4409 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 4410 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 4411 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 4412 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 4413 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 4414 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 4415 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,1,0]=4 4416 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,1,0]=4 4417 B11R0.4 C#CCC(C)OCCCCOC 34a_100000685586_100000755781 [1,1,0,0,0,0|1,0,1]=4 4418 B11R0.4 C#CCC(C)OCCCCOC 7a_100000685586_100000730899 [1,1,0,0,0,0|1,0,1]=4 4419 B11R0.4 C#CCC(C)OCCOCCC 34a_100000685586_100011215938 [1,1,0,0,0,0|1,0,1]=4 4420 B11R0.4 C#CCC(C)OCCOCCC 7a_100000685586_100011215938 [1,1,0,0,0,0|1,0,1]=4 4421 B11R0.4 C#CCC(C)OCCOCCO 34a_100000685586_100000692535 [1,1,0,0,0,0|1,0,1]=4 4422 B11R0.4 C#CCC(C)OCCOCCO 7a_100000685586_100011215305 [1,1,0,0,0,0|1,0,1]=4 4423 B11R0.4 C#CCCCCOC(C)COC 34a_100000766709_100000765312 [1,1,0,0,0,0|1,0,1]=4 4424 B11R0.4 C#CCCCCOC(C)COC 7a_100000766709_100000765312 [1,1,0,0,0,0|1,0,1]=4 4425 B11R0.4 C#CCCCCO[C@H](C)COC 34a_100011934205_100010269958 [1,1,0,0,0,0|1,0,1]=4 4426 B11R0.4 C#CCOCCOC(C)COC 34a_100000054580_100000765312 [1,1,0,0,0,0|0,0,2]=4 4427 B11R0.4 C#CCOCCOC(C)COC 7a_100000054580_100000765312 [1,1,0,0,0,0|0,0,2]=4 4428 B11R0.4 C#CCOCCO[C@H](C)COC 34a_100011934205_100010402529 [1,1,0,0,0,0|0,0,2]=4 4429 B11R0.4 C/C=C/C(C)OCCCCOC 34a_200102604097_100000755781 [1,1,0,0,0,0|1,0,1]=4 4430 B11R0.4 C/C=C/C(C)OCCOCCC 34a_200102604097_100011215938 [1,1,0,0,0,0|1,0,1]=4 4431 B11R0.4 C/C=C/C(C)OCCOCCO 34a_200102604097_100000692535 [1,1,0,0,0,0|1,0,1]=4 4432 B11R0.4 C=CCCCCOC(C)COC 34a_100000766645_100000765312 [1,1,0,0,0,0|1,0,1]=4 4433 B11R0.4 C=CCCCCOC(C)COC 7a_100000766645_100000765312 [1,1,0,0,0,0|1,0,1]=4 4434 B11R0.4 C=CCCCCO[C@H](C)COC 34a_100011934205_100011215482 [1,1,0,0,0,0|1,0,1]=4 4435 B11R0.4 C=CCOCCOC(C)COC 34a_100000037705_100000765312 [1,1,0,0,0,0|0,0,2]=4 4436 B11R0.4 C=CCOCCOC(C)COC 7a_100000037705_100000765312 [1,1,0,0,0,0|0,0,2]=4 4437 B11R0.4 C=CC[C@@H](C)OCCCCOC 34a_100000731007_100000755781 [1,1,0,0,0,0|1,0,1]=4 4438 B11R0.4 C=CC[C@@H](C)OCCCCOC 7a_100000731007_100000730899 [1,1,0,0,0,0|1,0,1]=4 4439 B11R0.4 C=CC[C@@H](C)OCCOCCC 34a_100000731007_100011215938 [1,1,0,0,0,0|1,0,1]=4 4440 B11R0.4 C=CC[C@@H](C)OCCOCCC 7a_100000731007_100011215938 [1,1,0,0,0,0|1,0,1]=4 4441 B11R0.4 C=CC[C@@H](C)OCCOCCO 34a_100000731007_100000692535 [1,1,0,0,0,0|1,0,1]=4 4442 B11R0.4 C=CC[C@@H](C)OCCOCCO 7a_100000731007_100011215305 [1,1,0,0,0,0|1,0,1]=4 4443 B11R0.4 CC#CC(C)OCCCCOC 34a_100011216543_100000755781 [1,1,0,0,0,0|1,0,1]=4 4444 B11R0.4 CC#CC(C)OCCOCCC 34a_100011216543_100011215938 [1,1,0,0,0,0|1,0,1]=4 4445 B11R0.4 CC#CC(C)OCCOCCO 34a_100011216543_100000692535 [1,1,0,0,0,0|1,0,1]=4 4446 B11R0.4 CC(CCBr)OCCOCCO 34a_100012276601_100000692535 [1,1,0,0,0,0|2,0,0]=4 4447 B11R0.4 CC/C=C\CCOC(C)COC 34a_100016288707_100000765312 [1,1,0,0,0,0|1,0,1]=4 4448 B11R0.4 CC/C=C\CCOC(C)COC 7a_100016288707_100000765312 [1,1,0,0,0,0|1,0,1]=4 4449 B11R0.4 CC/C=C\CCO[C@H](C)COC 34a_100011934205_100015370543 [1,1,0,0,0,0|1,0,1]=4 4450 B11R0.4 CC=CCCCOC(C)COC 34a_100020645299_100000765312 [1,1,0,0,0,0|1,0,1]=4 4451 B11R0.4 CCC#CCCOC(C)COC 34a_100000036655_100000765312 [1,1,0,0,0,0|1,0,1]=4 4452 B11R0.4 CCC#CCCOC(C)COC 7a_100000036655_100000765312 [1,1,0,0,0,0|1,0,1]=4 4453 B11R0.4 CCC/C=C/COC(C)COC 34a_100016278788_100000765312 [1,1,0,0,0,0|1,0,1]=4 4454 B11R0.4 CCC/C=C/COC(C)COC 7a_100016278788_100000765312 [1,1,0,0,0,0|1,0,1]=4 4455 B11R0.4 CCCC#CCOC(C)COC 34a_100000034806_100000765312 [1,1,0,0,0,0|1,0,1]=4 4456 B11R0.4 CCCC#CCOC(C)COC 7a_100000034806_100000765312 [1,1,0,0,0,0|1,0,1]=4 4457 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,1,0,0,0,0|2,0,0]=4 4458 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [1,1,0,0,0,0|1,0,0]=3 4459 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [1,1,0,0,0,0|1,0,0]=3 4460 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [1,1,0,0,0,0|1,0,1]=4 4461 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [1,1,0,0,0,0|2,0,0]=4 4462 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [1,1,0,0,0,0|2,0,0]=4 4463 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [1,1,0,0,0,0|1,0,0]=3 4464 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [1,1,0,0,0,0|1,0,0]=3 4465 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [1,1,0,0,0,0|1,1,0]=4 4466 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [1,1,0,0,0,0|1,1,0]=4 4467 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [1,1,0,0,0,0|2,0,0]=4 4468 B11R0.4 CCCC(C)NCCOCCO 2230a_100000211614_100000766640 [1,1,0,0,0,0|2,0,0]=4 4469 B11R0.4 CCCC(C)NCCOCCO 2230a_100000741246_100011215305 [1,1,0,0,0,0|2,0,0]=4 4470 B11R0.4 CCCC(C)NCCOCCO 270004a_100000211614_100000211909 [1,1,0,0,0,0|2,0,0]=4 4471 B11R0.4 CCCC(C)NCCOCCO 34a_100000211614_100000766640 [1,1,0,0,0,0|2,0,0]=4 4472 B11R0.4 CCCC(C)NCOCCOC 2230a_100000741246_100000231047 [1,1,0,0,0,0|2,0,0]=4 4473 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [1,1,0,0,0,0|2,0,0]=4 4474 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [1,1,0,0,0,0|2,0,0]=4 4475 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [1,1,0,0,0,0|1,0,0]=3 4476 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [1,1,0,0,0,0|1,0,0]=3 4477 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [1,1,0,0,0,0|1,0,0]=3 4478 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [1,1,0,0,0,0|1,1,0]=4 4479 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [1,1,0,0,0,0|1,1,0]=4 4480 B11R0.4 CCCC(C)OCCOCCBr 34a_100000692535_100000766640 [1,1,0,0,0,0|2,0,0]=4 4481 B11R0.4 CCCC(C)OCCOCCBr 7a_100000692535_100000766640 [1,1,0,0,0,0|2,0,0]=4 4482 B11R0.4 CCCC(C)OCCOCCCl 34a_100011215305_100000766640 [1,1,0,0,0,0|2,0,0]=4 4483 B11R0.4 CCCC(C)OCCOCCCl 7a_100011215305_100000766640 [1,1,0,0,0,0|2,0,0]=4 4484 B11R0.4 CCCC(C)OCCOCCF 34a_200015357709_100000766640 [1,1,0,0,0,0|2,0,0]=4 4485 B11R0.4 CCCC(C)OCCOCCF 7a_200015357709_100000766640 [1,1,0,0,0,0|2,0,0]=4 4486 B11R0.4 CCCC(C)OCCOCCI 34a_100012149058_100000766640 [1,1,0,0,0,0|2,0,0]=4 4487 B11R0.4 CCCC(C)OCCOCCI 7a_100012149058_100000766640 [1,1,0,0,0,0|2,0,0]=4 4488 B11R0.4 CCCC(C)OCCOCCN 34a_100000211614_100000766640 [1,1,0,0,0,0|2,0,0]=4 4489 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [1,1,0,0,0,0|1,0,0]=3 4490 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [1,1,0,0,0,0|1,0,0]=3 4491 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [1,1,0,0,0,0|1,1,0]=4 4492 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [1,1,0,0,0,0|1,1,0]=4 4493 B11R0.4 CCCC(C)SCCOCCO 62a_100000766640_100011215305 [1,1,0,0,0,0|1,1,0]=4 4494 B11R0.4 CCCC(C)SCCOCCO 62a_100011215305_100000766640 [1,1,0,0,0,0|1,1,0]=4 4495 B11R0.4 CCCC(C)SCOCCOC 62a_100000231047_100000766640 [1,1,0,0,0,0|1,1,0]=4 4496 B11R0.4 CCCC(C)SCOCCOC 62a_100000766640_100000231047 [1,1,0,0,0,0|1,1,0]=4 4497 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [1,1,0,0,0,0|2,0,0]=4 4498 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [1,1,0,0,0,0|2,0,0]=4 4499 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [1,1,0,0,0,0|2,0,0]=4 4500 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [1,1,0,0,0,0|2,0,0]=4 4501 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [1,1,0,0,0,0|2,0,0]=4 4502 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [1,1,0,0,0,0|2,0,0]=4 4503 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [1,1,0,0,0,0|2,0,0]=4 4504 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [1,1,0,0,0,0|1,0,0]=3 4505 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [1,1,0,0,0,0|1,0,0]=3 4506 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [1,1,0,0,0,0|1,0,0]=3 4507 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [1,1,0,0,0,0|1,1,0]=4 4508 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [1,1,0,0,0,0|1,1,0]=4 4509 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,1,0,0,0,0|2,0,0]=4 4510 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,1,0,0,0,0|2,0,0]=4 4511 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [1,1,0,0,0,0|1,0,1]=4 4512 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [1,1,0,0,0,0|2,0,0]=4 4513 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [1,1,0,0,0,0|2,0,0]=4 4514 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [1,1,0,0,0,0|2,0,0]=4 4515 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [1,1,0,0,0,0|2,0,0]=4 4516 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [1,1,0,0,0,0|2,0,0]=4 4517 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [1,1,0,0,0,0|2,0,0]=4 4518 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [1,1,0,0,0,0|2,0,0]=4 4519 B11R0.4 CCCCOCN[C@H](C)COC 2230a_100000764878_100011995733 [1,1,0,0,0,0|2,0,0]=4 4520 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [1,1,0,0,0,0|2,0,0]=4 4521 B11R0.4 CCCCOCO[C@H](C)COC 34a_100011934205_100011995733 [1,1,0,0,0,0|1,0,0]=3 4522 B11R0.4 CCCCOCSC(C)COC 62a_100000765312_100011995733 [1,1,0,0,0,0|1,1,0]=4 4523 B11R0.4 CCCCOCSC(C)COC 62a_100011995733_100000765312 [1,1,0,0,0,0|1,1,0]=4 4524 B11R0.4 CCCN(C)CCOCCOC 2230a_100000747261_100000695917 [1,1,0,0,0,0|1,0,0]=3 4525 B11R0.4 CCCN(C)CCOCCOC 269982a_100000747261_100000695917 [1,1,0,0,0,0|1,0,0]=3 4526 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [1,1,0,0,0,0|2,0,0]=4 4527 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [1,1,0,0,0,0|2,0,0]=4 4528 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [1,1,0,0,0,0|1,0,1]=4 4529 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [1,1,0,0,0,0|1,0,1]=4 4530 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [1,1,0,0,0,0|1,0,1]=4 4531 B11R0.4 CCCOCCNC(C)CCC 2230a_100000741246_100011215938 [1,1,0,0,0,0|2,0,0]=4 4532 B11R0.4 CCCOCCNC(C)CCC 2230a_100161115042_100000766640 [1,1,0,0,0,0|2,0,0]=4 4533 B11R0.4 CCCOCCNC(C)CCC 270004a_100161115042_100000211909 [1,1,0,0,0,0|2,0,0]=4 4534 B11R0.4 CCCOCCNC(C)CCC 34a_100161115042_100000766640 [1,1,0,0,0,0|2,0,0]=4 4535 B11R0.4 CCCOCCNC(C)COC 2230a_100161115042_100000765312 [1,1,0,0,0,0|1,0,0]=3 4536 B11R0.4 CCCOCCNC(C)COC 270004a_100161115042_100000749346 [1,1,0,0,0,0|1,0,0]=3 4537 B11R0.4 CCCOCCNC(C)COC 34a_100161115042_100000765312 [1,1,0,0,0,0|1,0,0]=3 4538 B11R0.4 CCCOCCNC(C)CSC 270004a_100161115042_100011216314 [1,1,0,0,0,0|1,1,0]=4 4539 B11R0.4 CCCOCCN[C@H](C)COC 2230a_100000764878_100011215938 [1,1,0,0,0,0|1,0,0]=3 4540 B11R0.4 CCCOCCOC(C)CC#N 7a_100000752267_100009813641 [1,1,0,0,0,0|2,0,0]=4 4541 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [1,1,0,0,0,0|2,0,0]=4 4542 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [1,1,0,0,0,0|1,0,0]=3 4543 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [1,1,0,0,0,0|1,0,0]=3 4544 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [1,1,0,0,0,0|1,0,0]=3 4545 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [1,1,0,0,0,0|1,0,0]=3 4546 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [1,1,0,0,0,0|2,0,0]=4 4547 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [1,1,0,0,0,0|2,0,0]=4 4548 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [1,1,0,0,0,0|0,0,0]=2 4549 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [1,1,0,0,0,0|0,0,0]=2 4550 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [1,1,0,0,0,0|0,0,0]=2 4551 B11R0.4 CCCOCCSC(C)CCC 62a_100000766640_100011215938 [1,1,0,0,0,0|1,1,0]=4 4552 B11R0.4 CCCOCCSC(C)CCC 62a_100011215938_100000766640 [1,1,0,0,0,0|1,1,0]=4 4553 B11R0.4 CCCOCCSC(C)COC 62a_100000765312_100011215938 [1,1,0,0,0,0|0,1,0]=3 4554 B11R0.4 CCCOCCSC(C)COC 62a_100011215938_100000765312 [1,1,0,0,0,0|0,1,0]=3 4555 B11R0.4 CCCSCCNC(C)COC 2230a_100020603323_100000765312 [1,1,0,0,0,0|1,1,0]=4 4556 B11R0.4 CCCSCCNC(C)COC 270004a_100020603323_100000749346 [1,1,0,0,0,0|1,1,0]=4 4557 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [1,1,0,0,0,0|1,1,0]=4 4558 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [1,1,0,0,0,0|1,1,0]=4 4559 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [1,1,0,0,0,0|0,1,0]=3 4560 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [1,1,0,0,0,0|0,1,0]=3 4561 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [1,1,0,0,0,0|1,0,0]=3 4562 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [1,1,0,0,0,0|1,1,0]=4 4563 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [1,1,0,0,0,0|2,0,0]=4 4564 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [1,1,0,0,0,0|2,0,0]=4 4565 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [1,1,0,0,0,0|2,0,0]=4 4566 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,1,0,0,0,0|2,0,0]=4 4567 B11R0.4 CCOCCCOC(C)COC 34a_100000757476_100000765312 [1,1,0,0,0,0|2,0,0]=4 4568 B11R0.4 CCOCCCOC(C)COC 7a_100000757476_100000765312 [1,1,0,0,0,0|2,0,0]=4 4569 B11R0.4 CCOCCCO[C@H](C)COC 34a_100011934205_100012232248 [1,1,0,0,0,0|2,0,0]=4 4570 B11R0.4 CCSCCCOC(C)COC 34a_100011216438_100000765312 [1,1,0,0,0,0|2,0,0]=4 4571 B11R0.4 CCSCCCOC(C)COC 7a_100011216438_100000765312 [1,1,0,0,0,0|2,0,0]=4 4572 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [1,1,0,0,0,0|1,0,1]=4 4573 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [1,1,0,0,0,0|2,0,0]=4 4574 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [1,1,0,0,0,0|2,0,0]=4 4575 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [1,1,0,0,0,0|2,0,0]=4 4576 B11R0.4 COCC(C)NCCOCCO 2230a_100000211614_100000765312 [1,1,0,0,0,0|1,0,0]=3 4577 B11R0.4 COCC(C)NCCOCCO 270004a_100000211614_100000749346 [1,1,0,0,0,0|1,0,0]=3 4578 B11R0.4 COCC(C)NCCOCCO 34a_100000211614_100000765312 [1,1,0,0,0,0|1,0,0]=3 4579 B11R0.4 COCC(C)NCCSCCO 2230a_100011219999_100000765312 [1,1,0,0,0,0|1,1,0]=4 4580 B11R0.4 COCC(C)NCCSCCO 270004a_100011219999_100000749346 [1,1,0,0,0,0|1,1,0]=4 4581 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [1,1,0,0,0,0|2,0,0]=4 4582 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [1,1,0,0,0,0|2,0,0]=4 4583 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [1,1,0,0,0,0|2,0,0]=4 4584 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [1,1,0,0,0,0|2,0,0]=4 4585 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [1,1,0,0,0,0|2,0,0]=4 4586 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [1,1,0,0,0,0|2,0,0]=4 4587 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [1,1,0,0,0,0|2,0,0]=4 4588 B11R0.4 COCC(C)OCCCCSC 34a_100011217163_100000765312 [1,1,0,0,0,0|0,1,0]=3 4589 B11R0.4 COCC(C)OCCCCSC 7a_100011217163_100000765312 [1,1,0,0,0,0|0,1,0]=3 4590 B11R0.4 COCC(C)OCCOCCBr 34a_100000692535_100000765312 [1,1,0,0,0,0|1,0,0]=3 4591 B11R0.4 COCC(C)OCCOCCBr 7a_100000692535_100000765312 [1,1,0,0,0,0|1,0,0]=3 4592 B11R0.4 COCC(C)OCCOCCCl 34a_100011215305_100000765312 [1,1,0,0,0,0|1,0,0]=3 4593 B11R0.4 COCC(C)OCCOCCCl 7a_100011215305_100000765312 [1,1,0,0,0,0|1,0,0]=3 4594 B11R0.4 COCC(C)OCCOCCF 34a_200015357709_100000765312 [1,1,0,0,0,0|1,0,0]=3 4595 B11R0.4 COCC(C)OCCOCCF 7a_200015357709_100000765312 [1,1,0,0,0,0|1,0,0]=3 4596 B11R0.4 COCC(C)OCCOCCI 34a_100012149058_100000765312 [1,1,0,0,0,0|1,0,0]=3 4597 B11R0.4 COCC(C)OCCOCCI 7a_100012149058_100000765312 [1,1,0,0,0,0|1,0,0]=3 4598 B11R0.4 COCC(C)OCCOCCN 34a_100000211614_100000765312 [1,1,0,0,0,0|1,0,0]=3 4599 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [1,1,0,0,0,0|1,1,0]=4 4600 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [1,1,0,0,0,0|1,1,0]=4 4601 B11R0.4 COCC(C)SCCOCCO 62a_100000765312_100011215305 [1,1,0,0,0,0|0,1,0]=3 4602 B11R0.4 COCC(C)SCCOCCO 62a_100011215305_100000765312 [1,1,0,0,0,0|0,1,0]=3 4603 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,1,0,0,0,0|2,0,0]=4 4604 B11R0.4 COCCCCN[C@H](C)COC 2230a_100000764878_100000730899 [1,1,0,0,0,0|1,0,0]=3 4605 B11R0.4 COCCCCOC(C)CCBr 34a_100012276601_100000755781 [1,1,0,0,0,0|2,0,0]=4 4606 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [1,1,0,0,0,0|2,0,0]=4 4607 B11R0.4 COCCCCOC(C)COC 34a_100000740925_100000765312 [1,1,0,0,0,0|0,0,0]=2 4608 B11R0.4 COCCCCO[C@H](C)COC 34a_100011934205_100000755781 [1,1,0,0,0,0|0,0,0]=2 4609 B11R0.4 COCCCCSC(C)COC 62a_100000730899_100000765312 [1,1,0,0,0,0|0,1,0]=3 4610 B11R0.4 COCCCCSC(C)COC 62a_100000765312_100000730899 [1,1,0,0,0,0|0,1,0]=3 4611 B11R0.4 COCCCNCC(O)COC 2230a_100000756049_100000740836 [1,1,0,0,0,0|2,0,0]=4 4612 B11R0.4 COCCCNCC(O)COC 34a_100000756049_100000740836 [1,1,0,0,0,0|2,0,0]=4 4613 B11R0.4 COCCCNCC(O)COC 34a_100150723488_100011215053 [1,1,0,0,0,0|2,0,0]=4 4614 B11R0.4 COCCCOCC(N)COC 34a_100000724102_100000740836 [1,1,0,0,0,0|2,0,0]=4 4615 B11R0.4 COCCCOCC(O)COC 34a_100000740835_100011215053 [1,1,0,0,0,0|2,0,0]=4 4616 B11R0.4 COCCCSCC(O)COC 62a_100000709357_100011215053 [1,1,0,0,0,0|2,0,0]=4 4617 B11R0.4 COCCCSCC(O)COC 62a_100011215053_100000709357 [1,1,0,0,0,0|2,0,0]=4 4618 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [1,1,0,0,0,0|2,0,0]=4 4619 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [1,1,0,0,0,0|1,0,0]=3 4620 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [1,1,0,0,0,0|1,0,0]=3 4621 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [1,1,0,0,0,0|0,0,1]=3 4622 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [1,1,0,0,0,0|0,1,1]=4 4623 B11R0.4 COCCOCCN(C)CCO 2230a_100000210263_100000695917 [1,1,0,0,0,0|1,0,0]=3 4624 B11R0.4 COCCOCCN(C)CCO 269982a_100000210263_100000695917 [1,1,0,0,0,0|1,0,0]=3 4625 B11R0.4 COCCOCN[C@H](C)CCO 2230a_100000706166_100000231047 [1,1,0,0,0,0|2,0,0]=4 4626 B11R0.4 COCCOCN[C@H](C)COC 2230a_100000764878_100000231047 [1,1,0,0,0,0|1,0,0]=3 4627 B11R0.4 COCCOCSC(C)CCO 62a_100000231047_100009893172 [1,1,0,0,0,0|2,0,0]=4 4628 B11R0.4 COCCOCSC(C)CCO 62a_100009893172_100000231047 [1,1,0,0,0,0|2,0,0]=4 4629 B11R0.4 COCCOCSC(C)COC 62a_100000231047_100000765312 [1,1,0,0,0,0|0,1,0]=3 4630 B11R0.4 COCCOCSC(C)COC 62a_100000765312_100000231047 [1,1,0,0,0,0|0,1,0]=3 4631 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [1,1,0,0,0,0|2,0,0]=4 4632 B11R0.4 COC[C@@H](C)NCCOCCO 2230a_100000764878_100011215305 [1,1,0,0,0,0|1,0,0]=3 4633 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [1,1,0,0,0,0|2,0,0]=4 4634 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [1,1,0,0,0,0|1,0,0]=3 4635 B11R0.4 COC[C@@H](C)OCCOCCO 34a_100011934205_100000692535 [1,1,0,0,0,0|0,0,0]=2 4636 B11R0.4 CSCC(C)NCCOCCO 270004a_100000211614_100011216314 [1,1,0,0,0,0|1,1,0]=4 4637 B11R0.40 C#CC(C)OCCOCCOC 34a_100011215163_200000035995 [1,1,0,0,0,0|0,0,2]=4 4638 B11R0.40 C#CCCCCOCC(C)OC 34a_100000690652_100010269958 [1,1,0,0,0,0|1,0,1]=4 4639 B11R0.40 C#CCOCCOCC(C)OC 34a_100000690652_100010402529 [1,1,0,0,0,0|0,0,2]=4 4640 B11R0.40 C#C[C@@H](C)OCCOCCOC 34a_100009815206_100000695917 [1,1,0,0,0,0|0,0,2]=4 4641 B11R0.40 C#C[C@@H](C)OCCOCCOC 7a_100009815206_100000695917 [1,1,0,0,0,0|0,0,2]=4 4642 B11R0.40 C=CC(C)COCCCCOC 34a_100011215527_100000755781 [1,1,0,0,0,0|1,0,1]=4 4643 B11R0.40 C=CC(C)COCCCCOC 7a_100011215527_100000730899 [1,1,0,0,0,0|1,0,1]=4 4644 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [1,1,0,0,0,0|1,0,1]=4 4645 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [1,1,0,0,0,0|1,0,1]=4 4646 B11R0.40 C=CC(C)COCCOCCO 34a_100011215527_100000692535 [1,1,0,0,0,0|1,0,1]=4 4647 B11R0.40 C=CC(C)COCCOCCO 7a_100011215527_100011215305 [1,1,0,0,0,0|1,0,1]=4 4648 B11R0.40 C=CC(C)OCCOCCOC 34a_100000695699_100000695917 [1,1,0,0,0,0|0,0,2]=4 4649 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [1,1,0,0,0,0|1,0,1]=4 4650 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [1,1,0,0,0,0|1,0,1]=4 4651 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [1,1,0,0,0,0|1,0,1]=4 4652 B11R0.40 C=CCCCCOCC(C)OC 34a_100000690652_100011215482 [1,1,0,0,0,0|1,0,1]=4 4653 B11R0.40 C=C[C@H](N)COCCCCOC 34a_100016989147_100000755781 [1,1,0,0,0,0|1,0,1]=4 4654 B11R0.40 C=C[C@H](N)COCCOCCC 34a_100016989147_100011215938 [1,1,0,0,0,0|1,0,1]=4 4655 B11R0.40 C=C[C@H](N)COCCOCCO 34a_100016989147_100000692535 [1,1,0,0,0,0|1,0,1]=4 4656 B11R0.40 CC(CN)COCCOCCO 34a_100000744482_100000692535 [1,1,0,0,0,0|2,0,0]=4 4657 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [1,1,0,0,0,0|1,0,1]=4 4658 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [1,1,0,0,0,0|1,0,1]=4 4659 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [1,1,0,0,0,0|1,0,1]=4 4660 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [1,1,0,0,0,0|1,0,1]=4 4661 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [1,1,0,0,0,0|1,0,1]=4 4662 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [1,1,0,0,0,0|1,0,1]=4 4663 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [1,1,0,0,0,0|1,0,1]=4 4664 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [1,1,0,0,0,0|1,0,1]=4 4665 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [1,1,0,0,0,0|1,0,1]=4 4666 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [1,1,0,0,0,0|1,0,1]=4 4667 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [1,1,0,0,0,0|1,0,1]=4 4668 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [1,1,0,0,0,0|0,0,1]=3 4669 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [1,1,0,0,0,0|0,1,1]=4 4670 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [1,1,0,0,0,0|1,0,0]=3 4671 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [1,1,0,0,0,0|1,1,0]=4 4672 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [1,1,0,0,0,0|2,0,0]=4 4673 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [1,1,0,0,0,0|2,0,0]=4 4674 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [1,1,0,0,0,0|2,0,0]=4 4675 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [1,1,0,0,0,0|2,0,0]=4 4676 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [1,1,0,0,0,0|2,0,0]=4 4677 B11R0.40 CCC(C)CNCOCCOC 2230a_100020588543_100000231047 [1,1,0,0,0,0|2,0,0]=4 4678 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [1,1,0,0,0,0|1,0,0]=3 4679 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [1,1,0,0,0,0|1,1,0]=4 4680 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [1,1,0,0,0,0|1,1,0]=4 4681 B11R0.40 CCC(C)COCCOCCBr 34a_100000692535_100000748023 [1,1,0,0,0,0|2,0,0]=4 4682 B11R0.40 CCC(C)COCCOCCBr 7a_100000692535_100000748023 [1,1,0,0,0,0|2,0,0]=4 4683 B11R0.40 CCC(C)COCCOCCCl 34a_100011215305_100000748023 [1,1,0,0,0,0|2,0,0]=4 4684 B11R0.40 CCC(C)COCCOCCCl 7a_100011215305_100000748023 [1,1,0,0,0,0|2,0,0]=4 4685 B11R0.40 CCC(C)COCCOCCF 34a_200015357709_100000748023 [1,1,0,0,0,0|2,0,0]=4 4686 B11R0.40 CCC(C)COCCOCCF 7a_200015357709_100000748023 [1,1,0,0,0,0|2,0,0]=4 4687 B11R0.40 CCC(C)COCCOCCI 34a_100012149058_100000748023 [1,1,0,0,0,0|2,0,0]=4 4688 B11R0.40 CCC(C)COCCOCCI 7a_100012149058_100000748023 [1,1,0,0,0,0|2,0,0]=4 4689 B11R0.40 CCC(C)COCCOCCN 34a_100000211614_100000748023 [1,1,0,0,0,0|2,0,0]=4 4690 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [1,1,0,0,0,0|1,1,0]=4 4691 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [1,1,0,0,0,0|1,1,0]=4 4692 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [1,1,0,0,0,0|1,1,0]=4 4693 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [1,1,0,0,0,0|1,1,0]=4 4694 B11R0.40 CCC(C)CSCOCCOC 62a_100000231047_100000748023 [1,1,0,0,0,0|1,1,0]=4 4695 B11R0.40 CCC(C)CSCOCCOC 62a_100000748023_100000231047 [1,1,0,0,0,0|1,1,0]=4 4696 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [1,1,0,0,0,0|2,0,0]=4 4697 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [1,1,0,0,0,0|2,0,0]=4 4698 B11R0.40 CCC(C)NCCOCCOC 2230a_100000209981_100000695917 [1,1,0,0,0,0|1,0,0]=3 4699 B11R0.40 CCC(C)NCCOCCOC 2230a_100000745349_100000758301 [1,1,0,0,0,0|1,0,0]=3 4700 B11R0.40 CCC(C)NCCOCCOC 34a_100000745349_100011215416 [1,1,0,0,0,0|1,0,0]=3 4701 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [1,1,0,0,0,0|2,0,0]=4 4702 B11R0.40 CCC(C)OCCOCCNC 34a_100000228057_100011215416 [1,1,0,0,0,0|1,0,0]=3 4703 B11R0.40 CCC(C)OCCOCCOC 34a_100011215163_100011215416 [1,1,0,0,0,0|0,0,0]=2 4704 B11R0.40 CCC(C)OCCOCCOC 7a_100000210228_100000695917 [1,1,0,0,0,0|0,0,0]=2 4705 B11R0.40 CCC(C)OCCOCCOC 7a_100011215163_100000758301 [1,1,0,0,0,0|0,0,0]=2 4706 B11R0.40 CCC(C)SCCOCCOC 62a_100000695917_100000758301 [1,1,0,0,0,0|0,1,0]=3 4707 B11R0.40 CCC(C)SCCOCCOC 62a_100000758301_100000695917 [1,1,0,0,0,0|0,1,0]=3 4708 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [1,1,0,0,0,0|2,0,0]=4 4709 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [1,1,0,0,0,0|2,0,0]=4 4710 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [1,1,0,0,0,0|2,0,0]=4 4711 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [1,1,0,0,0,0|2,0,0]=4 4712 B11R0.40 CCC(O)CNCOCCOC 2230a_100011218483_100000231047 [1,1,0,0,0,0|2,0,0]=4 4713 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [1,1,0,0,0,0|1,0,0]=3 4714 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [1,1,0,0,0,0|1,1,0]=4 4715 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [1,1,0,0,0,0|1,1,0]=4 4716 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [1,1,0,0,0,0|2,0,0]=4 4717 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [1,1,0,0,0,0|2,0,0]=4 4718 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [1,1,0,0,0,0|2,0,0]=4 4719 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [1,1,0,0,0,0|2,0,0]=4 4720 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [1,1,0,0,0,0|2,0,0]=4 4721 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [1,1,0,0,0,0|2,0,0]=4 4722 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [1,1,0,0,0,0|2,0,0]=4 4723 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [1,1,0,0,0,0|2,0,0]=4 4724 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [1,1,0,0,0,0|2,0,0]=4 4725 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [1,1,0,0,0,0|1,1,0]=4 4726 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [1,1,0,0,0,0|1,1,0]=4 4727 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [1,1,0,0,0,0|1,1,0]=4 4728 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [1,1,0,0,0,0|1,1,0]=4 4729 B11R0.40 CCC(O)CSCOCCOC 62a_100000231047_100011218378 [1,1,0,0,0,0|1,1,0]=4 4730 B11R0.40 CCC(O)CSCOCCOC 62a_100011218378_100000231047 [1,1,0,0,0,0|1,1,0]=4 4731 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|2,0,0]=4 4732 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|2,0,0]=4 4733 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|2,0,0]=4 4734 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|2,0,0]=4 4735 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,1,0,0,0,0|2,0,0]=4 4736 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,1,0,0,0,0|2,0,0]=4 4737 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,1,0,0,0,0|2,0,0]=4 4738 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [1,1,0,0,0,0|2,0,0]=4 4739 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [1,1,0,0,0,0|2,0,0]=4 4740 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [1,1,0,0,0,0|2,0,0]=4 4741 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 4742 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 4743 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [1,1,0,0,0,0|2,0,0]=4 4744 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [1,1,0,0,0,0|2,0,0]=4 4745 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [1,1,0,0,0,0|1,0,0]=3 4746 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [1,1,0,0,0,0|2,0,0]=4 4747 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [1,1,0,0,0,0|2,0,0]=4 4748 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [1,1,0,0,0,0|2,0,0]=4 4749 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [1,1,0,0,0,0|2,0,0]=4 4750 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [1,1,0,0,0,0|2,0,0]=4 4751 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,1]=4 4752 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,1]=4 4753 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [1,1,0,0,0,0|2,0,0]=4 4754 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [1,1,0,0,0,0|2,0,0]=4 4755 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [1,1,0,0,0,0|2,0,0]=4 4756 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,1,0,0,0,0|1,0,1]=4 4757 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,1,0,0,0,0|1,0,1]=4 4758 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [1,1,0,0,0,0|1,0,0]=3 4759 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [1,1,0,0,0,0|1,0,0]=3 4760 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [1,1,0,0,0,0|1,0,0]=3 4761 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [1,1,0,0,0,0|2,0,0]=4 4762 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [1,1,0,0,0,0|2,0,0]=4 4763 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [1,1,0,0,0,0|2,0,0]=4 4764 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [1,1,0,0,0,0|1,0,0]=3 4765 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [1,1,0,0,0,0|1,0,0]=3 4766 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [1,1,0,0,0,0|1,1,0]=4 4767 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [1,1,0,0,0,0|1,1,0]=4 4768 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [1,1,0,0,0,0|1,1,0]=4 4769 B11R0.40 CCCCOCCSC(C)OC 62a_100000743108_100009879195 [1,1,0,0,0,0|1,1,0]=4 4770 B11R0.40 CCCCOCCSC(C)OC 62a_100009879195_100000743108 [1,1,0,0,0,0|1,1,0]=4 4771 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [1,1,0,0,0,0|1,1,0]=4 4772 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [1,1,0,0,0,0|1,1,0]=4 4773 B11R0.40 CCCCOCNC[C@@H](C)OC 2230a_100020591295_100011995733 [1,1,0,0,0,0|2,0,0]=4 4774 B11R0.40 CCCCOCOCC(C)OC 34a_100000690652_100011995733 [1,1,0,0,0,0|1,0,0]=3 4775 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [1,1,0,0,0,0|1,1,0]=4 4776 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [1,1,0,0,0,0|1,1,0]=4 4777 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [1,1,0,0,0,0|1,1,0]=4 4778 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [1,1,0,0,0,0|1,1,0]=4 4779 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 4780 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,1]=4 4781 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 4782 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [1,1,0,0,0,0|1,0,1]=4 4783 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [1,1,0,0,0,0|1,0,1]=4 4784 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [1,1,0,0,0,0|2,0,0]=4 4785 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [1,1,0,0,0,0|2,0,0]=4 4786 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [1,1,0,0,0,0|2,0,0]=4 4787 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [1,1,0,0,0,0|2,0,0]=4 4788 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [1,1,0,0,0,0|2,0,0]=4 4789 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [1,1,0,0,0,0|2,0,0]=4 4790 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [1,1,0,0,0,0|2,0,0]=4 4791 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [1,1,0,0,0,0|2,0,0]=4 4792 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [1,1,0,0,0,0|2,0,0]=4 4793 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [1,1,0,0,0,0|1,0,0]=3 4794 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [1,1,0,0,0,0|1,0,1]=4 4795 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [1,1,0,0,0,0|1,0,1]=4 4796 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [1,1,0,0,0,0|1,0,1]=4 4797 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [1,1,0,0,0,0|1,0,1]=4 4798 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [1,1,0,0,0,0|1,0,1]=4 4799 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [1,1,0,0,0,0|0,0,1]=3 4800 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [1,1,0,0,0,0|0,0,1]=3 4801 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [1,1,0,0,0,0|0,0,1]=3 4802 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [1,1,0,0,0,0|1,0,0]=3 4803 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [1,1,0,0,0,0|1,0,0]=3 4804 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [1,1,0,0,0,0|2,0,0]=4 4805 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [1,1,0,0,0,0|0,0,0]=2 4806 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [1,1,0,0,0,0|2,0,0]=4 4807 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [1,1,0,0,0,0|1,0,0]=3 4808 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [1,1,0,0,0,0|1,0,0]=3 4809 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [1,1,0,0,0,0|2,0,0]=4 4810 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [1,1,0,0,0,0|2,0,0]=4 4811 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [1,1,0,0,0,0|1,0,0]=3 4812 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [1,1,0,0,0,0|1,0,0]=3 4813 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [1,1,0,0,0,0|1,0,0]=3 4814 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [1,1,0,0,0,0|2,0,0]=4 4815 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [1,1,0,0,0,0|2,0,0]=4 4816 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [1,1,0,0,0,0|2,0,0]=4 4817 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [1,1,0,0,0,0|2,0,0]=4 4818 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [1,1,0,0,0,0|2,0,0]=4 4819 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [1,1,0,0,0,0|2,0,0]=4 4820 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [1,1,0,0,0,0|2,0,0]=4 4821 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [1,1,0,0,0,0|0,1,1]=4 4822 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [1,1,0,0,0,0|0,1,1]=4 4823 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [1,1,0,0,0,0|1,1,0]=4 4824 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [1,1,0,0,0,0|1,1,0]=4 4825 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [1,1,0,0,0,0|1,1,0]=4 4826 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [1,1,0,0,0,0|1,1,0]=4 4827 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [1,1,0,0,0,0|1,1,0]=4 4828 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [1,1,0,0,0,0|1,1,0]=4 4829 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [1,1,0,0,0,0|0,1,1]=4 4830 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [1,1,0,0,0,0|0,1,1]=4 4831 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [1,1,0,0,0,0|0,1,1]=4 4832 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [1,1,0,0,0,0|0,1,1]=4 4833 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [1,1,0,0,0,0|1,1,0]=4 4834 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [1,1,0,0,0,0|1,1,0]=4 4835 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [1,1,0,0,0,0|1,1,0]=4 4836 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [1,1,0,0,0,0|1,1,0]=4 4837 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [1,1,0,0,0,0|1,1,0]=4 4838 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [1,1,0,0,0,0|1,1,0]=4 4839 B11R0.40 CCN(C)CCCOCCOC 2230a_100000225621_100011216529 [1,1,0,0,0,0|2,0,0]=4 4840 B11R0.40 CCN(C)CCCOCCOC 269982a_100000225621_100011216529 [1,1,0,0,0,0|2,0,0]=4 4841 B11R0.40 CCOCCCOCC(C)OC 34a_100000690652_100012232248 [1,1,0,0,0,0|2,0,0]=4 4842 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [1,1,0,0,0,0|2,0,0]=4 4843 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [1,1,0,0,0,0|2,0,0]=4 4844 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [1,1,0,0,0,0|2,0,0]=4 4845 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [1,1,0,0,0,0|1,0,0]=3 4846 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [1,1,0,0,0,0|1,0,0]=3 4847 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [1,1,0,0,0,0|1,1,0]=4 4848 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [1,1,0,0,0,0|1,1,0]=4 4849 B11R0.40 CC[C@H](C)COCCOCCBr 34a_100000692535_100009816398 [1,1,0,0,0,0|2,0,0]=4 4850 B11R0.40 CC[C@H](C)COCCOCCBr 7a_100000692535_100009816398 [1,1,0,0,0,0|2,0,0]=4 4851 B11R0.40 CC[C@H](C)COCCOCCCl 34a_100011215305_100009816398 [1,1,0,0,0,0|2,0,0]=4 4852 B11R0.40 CC[C@H](C)COCCOCCCl 7a_100011215305_100009816398 [1,1,0,0,0,0|2,0,0]=4 4853 B11R0.40 CC[C@H](C)COCCOCCF 34a_200015357709_100009816398 [1,1,0,0,0,0|2,0,0]=4 4854 B11R0.40 CC[C@H](C)COCCOCCF 7a_200015357709_100009816398 [1,1,0,0,0,0|2,0,0]=4 4855 B11R0.40 CC[C@H](C)COCCOCCI 34a_100012149058_100009816398 [1,1,0,0,0,0|2,0,0]=4 4856 B11R0.40 CC[C@H](C)COCCOCCI 7a_100012149058_100009816398 [1,1,0,0,0,0|2,0,0]=4 4857 B11R0.40 CC[C@H](C)COCCOCCN 34a_100000211614_100009816398 [1,1,0,0,0,0|2,0,0]=4 4858 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [1,1,0,0,0,0|1,0,0]=3 4859 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [1,1,0,0,0,0|1,1,0]=4 4860 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [1,1,0,0,0,0|1,1,0]=4 4861 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [1,1,0,0,0,0|1,1,0]=4 4862 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [1,1,0,0,0,0|1,1,0]=4 4863 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100000231047_100009816398 [1,1,0,0,0,0|1,1,0]=4 4864 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100009816398_100000231047 [1,1,0,0,0,0|1,1,0]=4 4865 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [1,1,0,0,0,0|1,0,1]=4 4866 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [1,1,0,0,0,0|1,0,1]=4 4867 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [1,1,0,0,0,0|1,0,1]=4 4868 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [1,1,0,0,0,0|1,0,1]=4 4869 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [1,1,0,0,0,0|1,0,1]=4 4870 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [1,1,0,0,0,0|1,0,1]=4 4871 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [1,1,0,0,0,0|1,0,1]=4 4872 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [1,1,0,0,0,0|2,0,0]=4 4873 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [1,1,0,0,0,0|1,0,0]=3 4874 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 4875 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 4876 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,1,0,0,0,0|1,0,1]=4 4877 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,1,0,0,0,0|1,0,1]=4 4878 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [1,1,0,0,0,0|1,0,1]=4 4879 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [1,1,0,0,0,0|0,1,1]=4 4880 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [1,1,0,0,0,0|0,1,1]=4 4881 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [1,1,0,0,0,0|1,0,1]=4 4882 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [1,1,0,0,0,0|1,0,1]=4 4883 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [1,1,0,0,0,0|0,1,1]=4 4884 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [1,1,0,0,0,0|0,1,1]=4 4885 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [1,1,0,0,0,0|1,0,1]=4 4886 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [1,1,0,0,0,0|1,0,1]=4 4887 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [1,1,0,0,0,0|1,0,1]=4 4888 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [1,1,0,0,0,0|1,0,1]=4 4889 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [1,1,0,0,0,0|1,0,1]=4 4890 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [1,1,0,0,0,0|1,0,1]=4 4891 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [1,1,0,0,0,0|1,0,1]=4 4892 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [1,1,0,0,0,0|1,0,1]=4 4893 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [1,1,0,0,0,0|1,0,1]=4 4894 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [1,1,0,0,0,0|1,0,1]=4 4895 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [1,1,0,0,0,0|1,0,1]=4 4896 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [1,1,0,0,0,0|1,0,1]=4 4897 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [1,1,0,0,0,0|1,0,1]=4 4898 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [1,1,0,0,0,0|0,1,1]=4 4899 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [1,1,0,0,0,0|0,1,1]=4 4900 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [1,1,0,0,0,0|0,1,1]=4 4901 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [1,1,0,0,0,0|0,1,1]=4 4902 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [1,1,0,0,0,0|0,1,1]=4 4903 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [1,1,0,0,0,0|2,0,0]=4 4904 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [1,1,0,0,0,0|1,0,0]=3 4905 B11R0.40 COC(C)COCCOCCO 34a_100000690652_100000692535 [1,1,0,0,0,0|0,0,0]=2 4906 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 4907 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|1,0,1]=4 4908 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 4909 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [1,1,0,0,0,0|2,0,0]=4 4910 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [1,1,0,0,0,0|2,0,0]=4 4911 B11R0.40 COCCCCNC[C@@H](C)OC 2230a_100020591295_100000730899 [1,1,0,0,0,0|1,0,0]=3 4912 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [1,1,0,0,0,0|0,0,1]=3 4913 B11R0.40 COCCCCOCC(C)CN 34a_100000744482_100000755781 [1,1,0,0,0,0|2,0,0]=4 4914 B11R0.40 COCCCCOCC(C)OC 34a_100000690652_100000755781 [1,1,0,0,0,0|0,0,0]=2 4915 B11R0.40 COCCCCOCC(Cl)CCl 34a_100000033668_100000755781 [1,1,0,0,0,0|2,0,0]=4 4916 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [1,1,0,0,0,0|2,0,0]=4 4917 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [1,1,0,0,0,0|2,0,0]=4 4918 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [1,1,0,0,0,0|2,0,0]=4 4919 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [1,1,0,0,0,0|2,0,0]=4 4920 B11R0.40 COCCCCOC[C@H](F)CN 34a_100015665980_100000755781 [1,1,0,0,0,0|2,0,0]=4 4921 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [1,1,0,0,0,0|0,1,1]=4 4922 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [1,1,0,0,0,0|0,1,1]=4 4923 B11R0.40 COCCCOCCC(C)OC 7a_100000764861_100000740836 [1,1,0,0,0,0|2,0,0]=4 4924 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [1,1,0,0,0,0|1,0,1]=4 4925 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [1,1,0,0,0,0|1,0,1]=4 4926 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [1,1,0,0,0,0|0,0,1]=3 4927 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [1,1,0,0,0,0|2,0,0]=4 4928 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [1,1,0,0,0,0|1,0,1]=4 4929 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [1,1,0,0,0,0|1,0,1]=4 4930 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [1,1,0,0,0,0|1,0,1]=4 4931 B11R0.40 COCCOCCNC(C)CO 2230a_100000745349_100012180447 [1,1,0,0,0,0|1,0,0]=3 4932 B11R0.40 COCCOCCNC(C)CO 34a_100000745349_100012180447 [1,1,0,0,0,0|1,0,0]=3 4933 B11R0.40 COCCOCCN[C@H](C)CO 2230a_100000737577_100000695917 [1,1,0,0,0,0|1,0,0]=3 4934 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [1,1,0,0,0,0|0,0,1]=3 4935 B11R0.40 COCCOCCOC(C)C#N 34a_100011218135_100000695917 [1,1,0,0,0,0|1,0,1]=4 4936 B11R0.40 COCCOCCOC(C)C#N 7a_100011215163_100000703298 [1,1,0,0,0,0|1,0,1]=4 4937 B11R0.40 COCCOCCOC(C)CF 34a_100016041109_100000695917 [1,1,0,0,0,0|1,0,0]=3 4938 B11R0.40 COCCOCCOC(C)CF 7a_100016041109_100000695917 [1,1,0,0,0,0|1,0,0]=3 4939 B11R0.40 COCCOCCOC(C)CN 34a_100000210904_100000695917 [1,1,0,0,0,0|1,0,0]=3 4940 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [1,1,0,0,0,0|0,0,0]=2 4941 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [1,1,0,0,0,0|0,0,0]=2 4942 B11R0.40 COCCOCCSC(C)CO 62a_100012180447_100000695917 [1,1,0,0,0,0|0,1,0]=3 4943 B11R0.40 COCCOCCSC(C)OC 62a_100000695917_100009879195 [1,1,0,0,0,0|0,1,0]=3 4944 B11R0.40 COCCOCCSC(C)OC 62a_100009879195_100000695917 [1,1,0,0,0,0|0,1,0]=3 4945 B11R0.40 COCCOCCS[C@H](C)CO 62a_100000695917_100016084084 [1,1,0,0,0,0|0,1,0]=3 4946 B11R0.40 COCCOCCS[C@H](C)CO 62a_100016084084_100000695917 [1,1,0,0,0,0|0,1,0]=3 4947 B11R0.40 COCCOCNC[C@@H](C)OC 2230a_100020591295_100000231047 [1,1,0,0,0,0|1,0,0]=3 4948 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [1,1,0,0,0,0|2,0,0]=4 4949 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [1,1,0,0,0,0|0,1,1]=4 4950 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [1,1,0,0,0,0|0,1,1]=4 4951 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [1,1,0,0,0,0|2,0,0]=4 4952 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [1,1,0,0,0,0|2,0,0]=4 4953 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000059175_100000231047 [1,1,0,0,0,0|2,0,0]=4 4954 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000231047_100000059175 [1,1,0,0,0,0|2,0,0]=4 4955 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [1,1,0,0,0,0|2,0,0]=4 4956 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [1,1,0,0,0,0|2,0,0]=4 4957 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [1,1,0,0,0,0|0,1,1]=4 4958 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [1,1,0,0,0,0|0,1,1]=4 4959 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [1,1,0,0,0,0|0,1,1]=4 4960 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [1,1,0,0,0,0|0,1,1]=4 4961 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [1,1,0,0,0,0|2,0,0]=4 4962 B11R0.40 CO[C@H](C)CNCCOCCO 2230a_100020591295_100011215305 [1,1,0,0,0,0|1,0,0]=3 4963 B11R0.40 NC[C@@H](F)COCCOCCO 34a_100015665980_100000692535 [1,1,0,0,0,0|2,0,0]=4 4964 B11R0.40 OCCOCCOCC(Cl)CCl 34a_100000033668_100000692535 [1,1,0,0,0,0|2,0,0]=4 4965 B11R0.81 C#CCCOC[C@@H](C)OCOC 34a_100016172286_100000688953 [1,1,0,0,0,0|1,0,1]=4 4966 B11R0.81 C#CCCOC[C@@H](C)OCOC 7a_100016172286_100000688953 [1,1,0,0,0,0|1,0,1]=4 4967 B11R0.81 C#CCOC(C)COCCOC 34a_200000093152_100011201679 [1,1,0,0,0,0|0,0,2]=4 4968 B11R0.81 C#CCOC(C)COCCOC 7a_200000093152_100000233755 [1,1,0,0,0,0|0,0,2]=4 4969 B11R0.81 C/C=C/COC[C@@H](C)OCOC 34a_100016172286_100102629194 [1,1,0,0,0,0|1,0,1]=4 4970 B11R0.81 C/C=C/COC[C@@H](C)OCOC 7a_100016172286_100102629194 [1,1,0,0,0,0|1,0,1]=4 4971 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [1,1,0,0,0,0|1,0,1]=4 4972 B11R0.81 C=C(COCCOC)OCOC 34a_100000210237_100000042856 [1,1,0,0,0,0|0,0,1]=3 4973 B11R0.81 C=C(COCCON)OCOC 34a_100000700252_100000042856 [1,1,0,0,0,0|1,0,1]=4 4974 B11R0.81 C=C(COCCSC)OCOC 34a_100000230434_100000042856 [1,1,0,0,0,0|0,1,1]=4 4975 B11R0.81 C=C(CSCCOC)OCOC 62a_100000042856_100000233755 [1,1,0,0,0,0|0,1,1]=4 4976 B11R0.81 C=C(CSCCOC)OCOC 62a_100000233755_100000042856 [1,1,0,0,0,0|0,1,1]=4 4977 B11R0.81 C=CCCOC[C@@H](C)OCOC 34a_100016172286_100000754431 [1,1,0,0,0,0|1,0,1]=4 4978 B11R0.81 C=CCCOC[C@@H](C)OCOC 7a_100016172286_100000754431 [1,1,0,0,0,0|1,0,1]=4 4979 B11R0.81 CC#CCOC[C@@H](C)OCOC 34a_100016172286_100000748600 [1,1,0,0,0,0|1,0,1]=4 4980 B11R0.81 CC#CCOC[C@@H](C)OCOC 7a_100016172286_100000748600 [1,1,0,0,0,0|1,0,1]=4 4981 B11R0.81 CC=CCOC[C@@H](C)OCOC 34a_100016172286_100000070051 [1,1,0,0,0,0|1,0,1]=4 4982 B11R0.81 CC=CCOC[C@@H](C)OCOC 7a_100016172286_100000070051 [1,1,0,0,0,0|1,0,1]=4 4983 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,1,0,0,0,0|2,0,0]=4 4984 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [1,1,0,0,0,0|2,0,0]=4 4985 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [1,1,0,0,0,0|2,0,0]=4 4986 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [1,1,0,0,0,0|2,0,0]=4 4987 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [1,1,0,0,0,0|1,0,1]=4 4988 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|2,0,0]=4 4989 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|2,0,0]=4 4990 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|2,0,0]=4 4991 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|2,0,0]=4 4992 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [1,1,0,0,0,0|1,0,0]=3 4993 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [1,1,0,0,0,0|1,0,0]=3 4994 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [1,1,0,0,0,0|1,1,0]=4 4995 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [1,1,0,0,0,0|1,1,0]=4 4996 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|2,0,0]=4 4997 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|2,0,0]=4 4998 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|2,0,0]=4 4999 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|2,0,0]=4 5000 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|2,0,0]=4 5001 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|2,0,0]=4 5002 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [1,1,0,0,0,0|2,0,0]=4 5003 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [1,1,0,0,0,0|2,0,0]=4 5004 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [1,1,0,0,0,0|2,0,0]=4 5005 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,1,0,0,0,0|2,0,0]=4 5006 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,1,0,0,0,0|2,0,0]=4 5007 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [1,1,0,0,0,0|2,0,0]=4 5008 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [1,1,0,0,0,0|2,0,0]=4 5009 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [1,1,0,0,0,0|2,0,0]=4 5010 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [1,1,0,0,0,0|2,0,0]=4 5011 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [1,1,0,0,0,0|2,0,0]=4 5012 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [1,1,0,0,0,0|2,0,0]=4 5013 B11R0.81 CCCCN(C)CCOCCC 2230a_100000207549_100011215938 [1,1,0,0,0,0|2,0,0]=4 5014 B11R0.81 CCCCN(C)CCOCCC 269982a_100000207549_100011215938 [1,1,0,0,0,0|2,0,0]=4 5015 B11R0.81 CCCCN(C)CCOCCO 2230a_100000207549_100011215305 [1,1,0,0,0,0|2,0,0]=4 5016 B11R0.81 CCCCN(C)CCOCCO 2230a_100000228057_100000210211 [1,1,0,0,0,0|2,0,0]=4 5017 B11R0.81 CCCCN(C)CCOCCO 269982a_100000207549_100011215305 [1,1,0,0,0,0|2,0,0]=4 5018 B11R0.81 CCCCN(C)CCOCCO 269982a_100000228057_100000210211 [1,1,0,0,0,0|2,0,0]=4 5019 B11R0.81 CCCCN(C)COCCOC 2230a_100000207549_100000231047 [1,1,0,0,0,0|2,0,0]=4 5020 B11R0.81 CCCCN(C)COCCOC 269982a_100000207549_100000231047 [1,1,0,0,0,0|2,0,0]=4 5021 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [1,1,0,0,0,0|2,0,0]=4 5022 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [1,1,0,0,0,0|2,0,0]=4 5023 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [1,1,0,0,0,0|1,0,1]=4 5024 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [1,1,0,0,0,0|1,0,1]=4 5025 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [1,1,0,0,0,0|1,0,1]=4 5026 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [1,1,0,0,0,0|1,0,1]=4 5027 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [1,1,0,0,0,0|2,0,0]=4 5028 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [1,1,0,0,0,0|2,0,0]=4 5029 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [1,1,0,0,0,0|1,0,0]=3 5030 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [1,1,0,0,0,0|1,0,0]=3 5031 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [1,1,0,0,0,0|2,0,0]=4 5032 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [1,1,0,0,0,0|2,0,0]=4 5033 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [1,1,0,0,0,0|1,0,0]=3 5034 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [1,1,0,0,0,0|1,0,0]=3 5035 B11R0.81 CCCCOCC(C)OCSC 34a_100011217071_100011218213 [1,1,0,0,0,0|1,1,0]=4 5036 B11R0.81 CCCCOCN(C)CCOC 2230a_100000743101_100011995733 [1,1,0,0,0,0|2,0,0]=4 5037 B11R0.81 CCCCOCN(C)CCOC 269982a_100000743101_100011995733 [1,1,0,0,0,0|2,0,0]=4 5038 B11R0.81 CCCCOC[C@@H](C)OCOC 34a_100016172286_100000210210 [1,1,0,0,0,0|1,0,0]=3 5039 B11R0.81 CCCCOC[C@@H](C)OCOC 7a_100016172286_100000210211 [1,1,0,0,0,0|1,0,0]=3 5040 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [1,1,0,0,0,0|2,0,0]=4 5041 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [1,1,0,0,0,0|1,1,0]=4 5042 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [1,1,0,0,0,0|1,0,0]=3 5043 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [1,1,0,0,0,0|1,1,0]=4 5044 B11R0.81 CCCNC(=O)COCCOC 11a_100020643023_100000211095 [1,1,0,0,0,0|1,0,1]=4 5045 B11R0.81 CCCNC(=O)COCCOC 1626a_100020643023_100000211095 [1,1,0,0,0,0|1,0,1]=4 5046 B11R0.81 CCCNC(=O)COCCOC 240690a_100020643023_100000211095 [1,1,0,0,0,0|1,0,1]=4 5047 B11R0.81 CCCNC(=O)COCCOC 34a_100000210237_100000183358 [1,1,0,0,0,0|1,0,1]=4 5048 B11R0.81 CCCNC(=O)COCCOC 527a_100020643023_100000211095 [1,1,0,0,0,0|1,0,1]=4 5049 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [1,1,0,0,0,0|1,0,1]=4 5050 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [1,1,0,0,0,0|0,0,1]=3 5051 B11R0.81 CCCOC(=O)COCCON 34a_100000700252_200011215008 [1,1,0,0,0,0|1,0,1]=4 5052 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [1,1,0,0,0,0|0,1,1]=4 5053 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [1,1,0,0,0,0|0,1,1]=4 5054 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [1,1,0,0,0,0|0,1,1]=4 5055 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [1,1,0,0,0,0|0,1,1]=4 5056 B11R0.81 CCCOC(C)CNCCOC 2230a_100015185124_100011201679 [1,1,0,0,0,0|1,0,0]=3 5057 B11R0.81 CCCOC(C)CNCCOC 34a_100015185124_100011201679 [1,1,0,0,0,0|1,0,0]=3 5058 B11R0.81 CCCOC(C)CNCCSC 2230a_100015185124_100000751147 [1,1,0,0,0,0|1,1,0]=4 5059 B11R0.81 CCCOC(C)CNCCSC 34a_100015185124_100000212216 [1,1,0,0,0,0|1,1,0]=4 5060 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [1,1,0,0,0,0|1,0,0]=3 5061 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [1,1,0,0,0,0|1,1,0]=4 5062 B11R0.81 CCCOCCN(C)CCOC 2230a_100000743101_100011215938 [1,1,0,0,0,0|1,0,0]=3 5063 B11R0.81 CCCOCCN(C)CCOC 269982a_100000743101_100011215938 [1,1,0,0,0,0|1,0,0]=3 5064 B11R0.81 CCCOCCN(C)CCSC 2230a_100000686725_100011215938 [1,1,0,0,0,0|1,1,0]=4 5065 B11R0.81 CCCOCCN(C)CCSC 269982a_100000686725_100011215938 [1,1,0,0,0,0|1,1,0]=4 5066 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [1,1,0,0,0,0|2,0,0]=4 5067 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [1,1,0,0,0,0|2,0,0]=4 5068 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [1,1,0,0,0,0|1,0,0]=3 5069 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [1,1,0,0,0,0|1,0,0]=3 5070 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [1,1,0,0,0,0|1,0,0]=3 5071 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [1,1,0,0,0,0|1,1,0]=4 5072 B11R0.81 COCCCCN(C)CCOC 2230a_100000743101_100000730899 [1,1,0,0,0,0|1,0,0]=3 5073 B11R0.81 COCCCCN(C)CCOC 269982a_100000743101_100000730899 [1,1,0,0,0,0|1,0,0]=3 5074 B11R0.81 COCCCCN(C)CCSC 2230a_100000686725_100000730899 [1,1,0,0,0,0|1,1,0]=4 5075 B11R0.81 COCCCCN(C)CCSC 269982a_100000686725_100000730899 [1,1,0,0,0,0|1,1,0]=4 5076 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [1,1,0,0,0,0|2,0,0]=4 5077 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [1,1,0,0,0,0|2,0,0]=4 5078 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [1,1,0,0,0,0|2,0,0]=4 5079 B11R0.81 COCCCNC(C)CCOC 270004a_100150723488_100000742357 [1,1,0,0,0,0|2,0,0]=4 5080 B11R0.81 COCCN(C)CCCCCO 2230a_100000722520_100011201679 [1,1,0,0,0,0|2,0,0]=4 5081 B11R0.81 COCCN(C)CCCCCO 2230a_100000743101_100000746330 [1,1,0,0,0,0|2,0,0]=4 5082 B11R0.81 COCCN(C)CCCCCO 269982a_100000722520_100000233755 [1,1,0,0,0,0|2,0,0]=4 5083 B11R0.81 COCCN(C)CCCCCO 269982a_100000743101_100000746330 [1,1,0,0,0,0|2,0,0]=4 5084 B11R0.81 COCCN(C)CCOCCO 2230a_100000228057_100011201679 [1,1,0,0,0,0|1,0,0]=3 5085 B11R0.81 COCCN(C)CCOCCO 2230a_100000743101_100011215305 [1,1,0,0,0,0|1,0,0]=3 5086 B11R0.81 COCCN(C)CCOCCO 269982a_100000228057_100000233755 [1,1,0,0,0,0|1,0,0]=3 5087 B11R0.81 COCCN(C)CCOCCO 269982a_100000743101_100011215305 [1,1,0,0,0,0|1,0,0]=3 5088 B11R0.81 COCCNC[C@H](C)CCCO 2230a_100160569302_100011201679 [1,1,0,0,0,0|2,0,0]=4 5089 B11R0.81 COCCNC[C@H](C)CCCO 34a_100160569302_100011201679 [1,1,0,0,0,0|2,0,0]=4 5090 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [1,1,0,0,0,0|1,0,1]=4 5091 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [1,1,0,0,0,0|0,0,1]=3 5092 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [1,1,0,0,0,0|0,1,1]=4 5093 B11R0.81 COCCOCC(=O)NCCO 240690a_100000210304_100000211095 [1,1,0,0,0,0|1,0,1]=4 5094 B11R0.81 COCCOCC(=O)NCCO 527a_100000210304_100000211095 [1,1,0,0,0,0|1,0,1]=4 5095 B11R0.81 COCCOCN(C)CCCO 2230a_100000213112_100000231047 [1,1,0,0,0,0|2,0,0]=4 5096 B11R0.81 COCCOCN(C)CCCO 269982a_100000213112_100000231047 [1,1,0,0,0,0|2,0,0]=4 5097 B11R0.81 COCCOCN(C)CCOC 2230a_100000743101_100000231047 [1,1,0,0,0,0|1,0,0]=3 5098 B11R0.81 COCCOCN(C)CCOC 269982a_100000743101_100000231047 [1,1,0,0,0,0|1,0,0]=3 5099 B11R0.81 COCCOCN(C)CCSC 2230a_100000686725_100000231047 [1,1,0,0,0,0|1,1,0]=4 5100 B11R0.81 COCCOCN(C)CCSC 269982a_100000686725_100000231047 [1,1,0,0,0,0|1,1,0]=4 5101 B11R0.81 COCCOC[C@@H](C)OCOC 34a_100016172286_100011201679 [1,1,0,0,0,0|0,0,0]=2 5102 B11R0.81 COCCOC[C@@H](C)OCOC 7a_100016172286_100000233755 [1,1,0,0,0,0|0,0,0]=2 5103 B11R0.81 COCCOC[C@@H](N)CCSC 34a_100011827619_100011201679 [1,1,0,0,0,0|0,1,0]=3 5104 B11R0.81 COCO[C@H](C)COCCC#N 7a_100016172286_100000184422 [1,1,0,0,0,0|2,0,0]=4 5105 B11R0.81 COCO[C@H](C)COCCCF 34a_100016172286_100011934791 [1,1,0,0,0,0|2,0,0]=4 5106 B11R0.81 COCO[C@H](C)COCCCF 7a_100016172286_100011934791 [1,1,0,0,0,0|2,0,0]=4 5107 B11R0.81 COCO[C@H](C)COCCCO 34a_100016172286_100000230001 [1,1,0,0,0,0|2,0,0]=4 5108 B11R0.81 COCO[C@H](C)COCCCO 7a_100016172286_100011215043 [1,1,0,0,0,0|2,0,0]=4 5109 B11R0.81 COCO[C@H](C)COCCSC 34a_100016172286_100000212216 [1,1,0,0,0,0|0,1,0]=3 5110 B11R0.81 COCO[C@H](C)COCCSC 7a_100016172286_100000212216 [1,1,0,0,0,0|0,1,0]=3 5111 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [1,1,0,0,0,0|1,1,0]=4 5112 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [1,1,0,0,0,0|1,1,0]=4 5113 B11R0.81 CSCCN(C)CCOCCO 2230a_100000228057_100000751147 [1,1,0,0,0,0|1,1,0]=4 5114 B11R0.81 CSCCN(C)CCOCCO 2230a_100000686725_100011215305 [1,1,0,0,0,0|1,1,0]=4 5115 B11R0.81 CSCCN(C)CCOCCO 269982a_100000228057_100000212216 [1,1,0,0,0,0|1,1,0]=4 5116 B11R0.81 CSCCN(C)CCOCCO 269982a_100000686725_100011215305 [1,1,0,0,0,0|1,1,0]=4 5117 B11R0.81 CSCCOC[C@@H](N)CCSC 34a_100011827619_100000212216 [1,1,0,0,0,0|0,2,0]=4 5118 B11R0.140 C#CCCOC(C)CCCOC 34a_200011539412_100000688953 [1,1,0,0,0,0|1,0,1]=4 5119 B11R0.140 C#CCCOC(C)CCCOC 7a_200011539412_100000688953 [1,1,0,0,0,0|1,0,1]=4 5120 B11R0.140 C#CCOCC(C)OCCOC 34a_100011025554_100011201679 [1,1,0,0,0,0|0,0,2]=4 5121 B11R0.140 C#CCOCC(C)OCCOC 7a_100011025554_100000233755 [1,1,0,0,0,0|0,0,2]=4 5122 B11R0.140 C/C=C/COC(C)CCCOC 34a_200011539412_100102629194 [1,1,0,0,0,0|1,0,1]=4 5123 B11R0.140 C/C=C/COC(C)CCCOC 7a_200011539412_100102629194 [1,1,0,0,0,0|1,0,1]=4 5124 B11R0.140 C=CCCOC(C)CCCOC 34a_200011539412_100000754431 [1,1,0,0,0,0|1,0,1]=4 5125 B11R0.140 C=CCCOC(C)CCCOC 7a_200011539412_100000754431 [1,1,0,0,0,0|1,0,1]=4 5126 B11R0.140 CC#CCOC(C)CCCOC 34a_200011539412_100000748600 [1,1,0,0,0,0|1,0,1]=4 5127 B11R0.140 CC#CCOC(C)CCCOC 7a_200011539412_100000748600 [1,1,0,0,0,0|1,0,1]=4 5128 B11R0.140 CC=CCOC(C)CCCOC 34a_200011539412_100000070051 [1,1,0,0,0,0|1,0,1]=4 5129 B11R0.140 CC=CCOC(C)CCCOC 7a_200011539412_100000070051 [1,1,0,0,0,0|1,0,1]=4 5130 B11R0.140 CCC#CCC(C)OCCOC 34a_200000035118_100011201679 [1,1,0,0,0,0|1,0,1]=4 5131 B11R0.140 CCC#CCC(C)OCCOC 7a_200000035118_100000233755 [1,1,0,0,0,0|1,0,1]=4 5132 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [1,1,0,0,0,0|2,0,0]=4 5133 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [1,1,0,0,0,0|2,0,0]=4 5134 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [1,1,0,0,0,0|2,0,0]=4 5135 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [1,1,0,0,0,0|2,0,0]=4 5136 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [1,1,0,0,0,0|2,0,0]=4 5137 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [1,1,0,0,0,0|2,0,0]=4 5138 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [1,1,0,0,0,0|2,0,0]=4 5139 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [1,1,0,0,0,0|1,0,0]=3 5140 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [1,1,0,0,0,0|1,0,0]=3 5141 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [1,1,0,0,0,0|1,0,0]=3 5142 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [1,1,0,0,0,0|2,0,0]=4 5143 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [1,1,0,0,0,0|1,1,0]=4 5144 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [1,1,0,0,0,0|1,1,0]=4 5145 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [1,1,0,0,0,0|1,1,0]=4 5146 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [1,1,0,0,0,0|1,1,0]=4 5147 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [1,1,0,0,0,0|1,1,0]=4 5148 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [1,1,0,0,0,0|1,1,0]=4 5149 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [1,1,0,0,0,0|1,0,1]=4 5150 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [1,1,0,0,0,0|1,0,0]=3 5151 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [1,1,0,0,0,0|1,0,0]=3 5152 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [1,1,0,0,0,0|1,0,1]=4 5153 B11R0.140 CCCOCC(=O)NCCOC 1626a_100000209980_100000745993 [1,1,0,0,0,0|1,0,1]=4 5154 B11R0.140 CCCOCC(=O)NCCOC 240690a_100000209980_100000745993 [1,1,0,0,0,0|1,0,1]=4 5155 B11R0.140 CCCOCC(=O)NCCOC 34a_100000210258_100000183275 [1,1,0,0,0,0|1,0,1]=4 5156 B11R0.140 CCCOCC(=O)NCCOC 527a_100000209980_100000745993 [1,1,0,0,0,0|1,0,1]=4 5157 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [1,1,0,0,0,0|0,0,1]=3 5158 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [1,1,0,0,0,0|0,1,1]=4 5159 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [1,1,0,0,0,0|0,1,1]=4 5160 B11R0.140 CCCSCC(C)NCCOC 270004a_100000209980_100011343953 [1,1,0,0,0,0|1,1,0]=4 5161 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [1,1,0,0,0,0|1,0,1]=4 5162 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [1,1,0,0,0,0|1,0,1]=4 5163 B11R0.140 COCCCC(=O)NCCOC 1626a_100000209980_100000741012 [1,1,0,0,0,0|1,0,1]=4 5164 B11R0.140 COCCCC(=O)NCCOC 240690a_100000209980_100000741012 [1,1,0,0,0,0|1,0,1]=4 5165 B11R0.140 COCCCC(=O)NCCOC 527a_100000209980_100000741012 [1,1,0,0,0,0|1,0,1]=4 5166 B11R0.140 COCCCC(C)OCCC#N 7a_200011539412_100000184422 [1,1,0,0,0,0|2,0,0]=4 5167 B11R0.140 COCCCC(C)OCCCF 34a_200011539412_100011934791 [1,1,0,0,0,0|2,0,0]=4 5168 B11R0.140 COCCCC(C)OCCCF 7a_200011539412_100011934791 [1,1,0,0,0,0|2,0,0]=4 5169 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [1,1,0,0,0,0|2,0,0]=4 5170 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [1,1,0,0,0,0|2,0,0]=4 5171 B11R0.140 COCCCC(C)OCCOC 34a_200011539412_100011201679 [1,1,0,0,0,0|0,0,0]=2 5172 B11R0.140 COCCCC(C)OCCOC 7a_200011539412_100000233755 [1,1,0,0,0,0|0,0,0]=2 5173 B11R0.140 COCCCC(C)OCCSC 34a_200011539412_100000212216 [1,1,0,0,0,0|0,1,0]=3 5174 B11R0.140 COCCCC(C)OCCSC 7a_200011539412_100000212216 [1,1,0,0,0,0|0,1,0]=3 5175 B11R0.140 COCCCN(C)CCCOC 2230a_100000224831_100000740836 [1,1,0,0,0,0|2,0,0]=4 5176 B11R0.140 COCCCN(C)CCCOC 269982a_100000224831_100000740836 [1,1,0,0,0,0|2,0,0]=4 5177 B11R0.140 COCCNC(=O)COCCO 1626a_100000209980_100000708028 [1,1,0,0,0,0|1,0,1]=4 5178 B11R0.140 COCCNC(=O)COCCO 240690a_100000209980_100000708028 [1,1,0,0,0,0|1,0,1]=4 5179 B11R0.140 COCCNC(C)CCCSC 270004a_100000209980_100011399439 [1,1,0,0,0,0|1,1,0]=4 5180 B11R0.140 COCCOC(=O)CNCCO 2230a_100016997473_200000040189 [1,1,0,0,0,0|1,0,1]=4 5181 B11R0.140 COCCOC(=O)CNCCO 34a_100016990907_200000040189 [1,1,0,0,0,0|1,0,1]=4 5182 B11R0.140 COCCOC(=O)COCCBr 34a_100000211926_200000040189 [1,1,0,0,0,0|1,0,1]=4 5183 B11R0.140 COCCOC(=O)COCCN 34a_100000210304_200000040189 [1,1,0,0,0,0|1,0,1]=4 5184 B11R0.140 COCCOC(=O)CSCCO 62a_100000211926_200000040189 [1,1,0,0,0,0|0,1,1]=4 5185 B11R0.140 COCCOC(=O)CSCCO 62a_200000040189_100000211926 [1,1,0,0,0,0|0,1,1]=4 5186 B11R0.140 COCCOC(=O)CSCOC 62a_100000766300_200000040189 [1,1,0,0,0,0|0,1,1]=4 5187 B11R0.140 COCCOC(=O)CSCOC 62a_200000040189_100000766300 [1,1,0,0,0,0|0,1,1]=4 5188 B11R0.148 C#CCCOCCOCC(C)C 34a_100000703358_100000688953 [1,1,0,0,0,0|1,0,1]=4 5189 B11R0.148 C#CCCOCCOCC(C)C 7a_100000703358_100000688953 [1,1,0,0,0,0|1,0,1]=4 5190 B11R0.148 C/C=C/COCCOCC(C)C 34a_100000703358_100102629194 [1,1,0,0,0,0|1,0,1]=4 5191 B11R0.148 C/C=C/COCCOCC(C)C 7a_100000703358_100102629194 [1,1,0,0,0,0|1,0,1]=4 5192 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [1,1,0,0,0,0|1,0,1]=4 5193 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [1,1,0,0,0,0|1,0,1]=4 5194 B11R0.148 C=C(Br)CCOCCOCCO 34a_100009813270_100000692535 [1,1,0,0,0,0|1,0,1]=4 5195 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [1,1,0,0,0,0|2,0,0]=4 5196 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [1,1,0,0,0,0|2,0,0]=4 5197 B11R0.148 C=C(C)CCNCCOCCO 2230a_100000211614_100000730704 [1,1,0,0,0,0|2,0,0]=4 5198 B11R0.148 C=C(C)CCNCCOCCO 34a_100000211614_100000730704 [1,1,0,0,0,0|2,0,0]=4 5199 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|2,0,0]=4 5200 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|2,0,0]=4 5201 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|2,0,0]=4 5202 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [1,1,0,0,0,0|2,0,0]=4 5203 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [1,1,0,0,0,0|1,0,0]=3 5204 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [1,1,0,0,0,0|1,0,0]=3 5205 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [1,1,0,0,0,0|1,1,0]=4 5206 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [1,1,0,0,0,0|1,1,0]=4 5207 B11R0.148 C=C(C)CCOCCOCCBr 34a_100000692535_100000730704 [1,1,0,0,0,0|2,0,0]=4 5208 B11R0.148 C=C(C)CCOCCOCCBr 7a_100000692535_100000730704 [1,1,0,0,0,0|2,0,0]=4 5209 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [1,1,0,0,0,0|1,0,0]=3 5210 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [1,1,0,0,0,0|1,0,0]=3 5211 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [1,1,0,0,0,0|1,0,0]=3 5212 B11R0.148 C=C(C)CCOCCOCCCl 34a_100011215305_100000730704 [1,1,0,0,0,0|2,0,0]=4 5213 B11R0.148 C=C(C)CCOCCOCCCl 7a_100011215305_100000730704 [1,1,0,0,0,0|2,0,0]=4 5214 B11R0.148 C=C(C)CCOCCOCCF 34a_200015357709_100000730704 [1,1,0,0,0,0|2,0,0]=4 5215 B11R0.148 C=C(C)CCOCCOCCF 7a_200015357709_100000730704 [1,1,0,0,0,0|2,0,0]=4 5216 B11R0.148 C=C(C)CCOCCOCCI 34a_100012149058_100000730704 [1,1,0,0,0,0|2,0,0]=4 5217 B11R0.148 C=C(C)CCOCCOCCI 7a_100012149058_100000730704 [1,1,0,0,0,0|2,0,0]=4 5218 B11R0.148 C=C(C)CCOCCOCCN 34a_100000211614_100000730704 [1,1,0,0,0,0|2,0,0]=4 5219 B11R0.148 C=C(C)CCOCCOCCO 34a_100000764851_100000692535 [1,1,0,0,0,0|1,0,0]=3 5220 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [1,1,0,0,0,0|1,1,0]=4 5221 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [1,1,0,0,0,0|1,1,0]=4 5222 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [1,1,0,0,0,0|2,0,0]=4 5223 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [1,1,0,0,0,0|1,1,0]=4 5224 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [1,1,0,0,0,0|1,1,0]=4 5225 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [1,1,0,0,0,0|1,1,0]=4 5226 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [1,1,0,0,0,0|1,1,0]=4 5227 B11R0.148 C=C(C)CCSCCOCCO 62a_100000730704_100011215305 [1,1,0,0,0,0|1,1,0]=4 5228 B11R0.148 C=C(C)CCSCCOCCO 62a_100011215305_100000730704 [1,1,0,0,0,0|1,1,0]=4 5229 B11R0.148 C=C(C)CCSCOCCOC 62a_100000231047_100000730704 [1,1,0,0,0,0|1,1,0]=4 5230 B11R0.148 C=C(C)CCSCOCCOC 62a_100000730704_100000231047 [1,1,0,0,0,0|1,1,0]=4 5231 B11R0.148 C=C(C)CNCCOCCOC 2230a_100000745349_100000748629 [1,1,0,0,0,0|1,0,1]=4 5232 B11R0.148 C=C(C)CNCCOCCOC 34a_100000745349_100000748629 [1,1,0,0,0,0|1,0,1]=4 5233 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [1,1,0,0,0,0|1,0,1]=4 5234 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [1,1,0,0,0,0|1,0,1]=4 5235 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [1,1,0,0,0,0|1,0,1]=4 5236 B11R0.148 C=C(C)COCCOCCNC 34a_100000228057_100000748629 [1,1,0,0,0,0|1,0,1]=4 5237 B11R0.148 C=C(C)COCCOCCOC 34a_100000210245_100000695917 [1,1,0,0,0,0|0,0,1]=3 5238 B11R0.148 C=C(C)COCCOCCOC 34a_100011215163_100000748629 [1,1,0,0,0,0|0,0,1]=3 5239 B11R0.148 C=C(C)COCCOCCOC 7a_100011215163_100000748629 [1,1,0,0,0,0|0,0,1]=3 5240 B11R0.148 C=C(C)CSCCOCCOC 62a_100000695917_100000211660 [1,1,0,0,0,0|0,1,1]=4 5241 B11R0.148 C=C(C)CSCCOCCOC 62a_100000748629_100000695917 [1,1,0,0,0,0|0,1,1]=4 5242 B11R0.148 C=C(F)COCCOCCOC 34a_100011215163_100009893438 [1,1,0,0,0,0|0,0,2]=4 5243 B11R0.148 C=C(F)COCCOCCOC 34a_200010262243_100000695917 [1,1,0,0,0,0|0,0,2]=4 5244 B11R0.148 C=C(F)COCCOCCOC 7a_100011215163_100000042424 [1,1,0,0,0,0|0,0,2]=4 5245 B11R0.148 C=CCCOCCOCC(C)C 34a_100000703358_100000754431 [1,1,0,0,0,0|1,0,1]=4 5246 B11R0.148 C=CCCOCCOCC(C)C 7a_100000703358_100000754431 [1,1,0,0,0,0|1,0,1]=4 5247 B11R0.148 CC#CCOCCOCC(C)C 34a_100000703358_100000748600 [1,1,0,0,0,0|1,0,1]=4 5248 B11R0.148 CC#CCOCCOCC(C)C 7a_100000703358_100000748600 [1,1,0,0,0,0|1,0,1]=4 5249 B11R0.148 CC(=CCOCCOCCO)C 34a_100000753907_100000692535 [1,1,0,0,0,0|1,0,1]=4 5250 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [1,1,0,0,0,0|2,0,0]=4 5251 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 5252 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 5253 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [1,1,0,0,0,0|2,0,0]=4 5254 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [1,1,0,0,0,0|2,0,0]=4 5255 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [1,1,0,0,0,0|2,0,0]=4 5256 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [1,1,0,0,0,0|2,0,0]=4 5257 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [1,1,0,0,0,0|1,0,0]=3 5258 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [1,1,0,0,0,0|1,0,0]=3 5259 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [1,1,0,0,0,0|1,0,0]=3 5260 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [1,1,0,0,0,0|1,0,0]=3 5261 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [1,1,0,0,0,0|1,1,0]=4 5262 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [1,1,0,0,0,0|1,1,0]=4 5263 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [1,1,0,0,0,0|2,0,0]=4 5264 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [1,1,0,0,0,0|1,0,0]=3 5265 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [1,1,0,0,0,0|2,0,0]=4 5266 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [1,1,0,0,0,0|2,0,0]=4 5267 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [1,1,0,0,0,0|2,0,0]=4 5268 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [1,1,0,0,0,0|2,0,0]=4 5269 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [1,1,0,0,0,0|2,0,0]=4 5270 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [1,1,0,0,0,0|2,0,0]=4 5271 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [1,1,0,0,0,0|2,0,0]=4 5272 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [1,1,0,0,0,0|2,0,0]=4 5273 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [1,1,0,0,0,0|2,0,0]=4 5274 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [1,1,0,0,0,0|2,0,0]=4 5275 B11R0.148 CC(C)CCOCCOCCBr 34a_100000692535_100000210312 [1,1,0,0,0,0|2,0,0]=4 5276 B11R0.148 CC(C)CCOCCOCCBr 7a_100000692535_100000210626 [1,1,0,0,0,0|2,0,0]=4 5277 B11R0.148 CC(C)CCOCCOCCCl 34a_100011215305_100000210312 [1,1,0,0,0,0|2,0,0]=4 5278 B11R0.148 CC(C)CCOCCOCCCl 7a_100011215305_100000210626 [1,1,0,0,0,0|2,0,0]=4 5279 B11R0.148 CC(C)CCOCCOCCF 34a_200015357709_100000210312 [1,1,0,0,0,0|2,0,0]=4 5280 B11R0.148 CC(C)CCOCCOCCF 7a_200015357709_100000210626 [1,1,0,0,0,0|2,0,0]=4 5281 B11R0.148 CC(C)CCOCCOCCI 34a_100012149058_100000210312 [1,1,0,0,0,0|2,0,0]=4 5282 B11R0.148 CC(C)CCOCCOCCI 7a_100012149058_100000210626 [1,1,0,0,0,0|2,0,0]=4 5283 B11R0.148 CC(C)CCOCCOCCN 34a_100000211614_100000210312 [1,1,0,0,0,0|2,0,0]=4 5284 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [1,1,0,0,0,0|1,0,0]=3 5285 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [1,1,0,0,0,0|1,0,0]=3 5286 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [1,1,0,0,0,0|1,1,0]=4 5287 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [1,1,0,0,0,0|1,1,0]=4 5288 B11R0.148 CC(C)COCCOCCC#N 7a_100000703358_100000184422 [1,1,0,0,0,0|2,0,0]=4 5289 B11R0.148 CC(C)COCCOCCCF 34a_100000703358_100011934791 [1,1,0,0,0,0|2,0,0]=4 5290 B11R0.148 CC(C)COCCOCCCF 7a_100000703358_100011934791 [1,1,0,0,0,0|2,0,0]=4 5291 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [1,1,0,0,0,0|2,0,0]=4 5292 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [1,1,0,0,0,0|2,0,0]=4 5293 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [1,1,0,0,0,0|2,0,0]=4 5294 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [1,1,0,0,0,0|2,0,0]=4 5295 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [1,1,0,0,0,0|2,0,0]=4 5296 B11R0.148 CC(O)CCOCCOCCBr 34a_100000692535_100012276601 [1,1,0,0,0,0|2,0,0]=4 5297 B11R0.148 CC(O)CCOCCOCCBr 7a_100000692535_100012276601 [1,1,0,0,0,0|2,0,0]=4 5298 B11R0.148 CC(O)CCOCCOCCCl 34a_100011215305_100012276601 [1,1,0,0,0,0|2,0,0]=4 5299 B11R0.148 CC(O)CCOCCOCCCl 7a_100011215305_100012276601 [1,1,0,0,0,0|2,0,0]=4 5300 B11R0.148 CC(O)CCOCCOCCF 34a_200015357709_100012276601 [1,1,0,0,0,0|2,0,0]=4 5301 B11R0.148 CC(O)CCOCCOCCF 7a_200015357709_100012276601 [1,1,0,0,0,0|2,0,0]=4 5302 B11R0.148 CC(O)CCOCCOCCI 34a_100012149058_100012276601 [1,1,0,0,0,0|2,0,0]=4 5303 B11R0.148 CC(O)CCOCCOCCI 7a_100012149058_100012276601 [1,1,0,0,0,0|2,0,0]=4 5304 B11R0.148 CC(O)CCOCCOCCN 34a_100000211614_100012276601 [1,1,0,0,0,0|2,0,0]=4 5305 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [1,1,0,0,0,0|1,1,0]=4 5306 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [1,1,0,0,0,0|1,1,0]=4 5307 B11R0.148 CC=CCOCCOCC(C)C 34a_100000703358_100000070051 [1,1,0,0,0,0|1,0,1]=4 5308 B11R0.148 CC=CCOCCOCC(C)C 7a_100000703358_100000070051 [1,1,0,0,0,0|1,0,1]=4 5309 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [1,1,0,0,0,0|2,0,0]=4 5310 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [1,1,0,0,0,0|2,0,0]=4 5311 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [1,1,0,0,0,0|2,0,0]=4 5312 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [1,1,0,0,0,0|2,0,0]=4 5313 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [1,1,0,0,0,0|2,0,0]=4 5314 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,1,0,0,0,0|2,0,0]=4 5315 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,1,0,0,0,0|2,0,0]=4 5316 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [1,1,0,0,0,0|2,0,0]=4 5317 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [1,1,0,0,0,0|2,0,0]=4 5318 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,1,0,0,0,0|2,0,0]=4 5319 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,1,0,0,0,0|2,0,0]=4 5320 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|2,0,0]=4 5321 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|2,0,0]=4 5322 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|2,0,0]=4 5323 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [1,1,0,0,0,0|2,0,0]=4 5324 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [1,1,0,0,0,0|2,0,0]=4 5325 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [1,1,0,0,0,0|2,0,0]=4 5326 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [1,1,0,0,0,0|2,0,0]=4 5327 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [1,1,0,0,0,0|2,0,0]=4 5328 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,1,0,0,0,0|2,0,0]=4 5329 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,1,0,0,0,0|2,0,0]=4 5330 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [1,1,0,0,0,0|2,0,0]=4 5331 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [1,1,0,0,0,0|2,0,0]=4 5332 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|2,0,0]=4 5333 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|2,0,0]=4 5334 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [1,1,0,0,0,0|2,0,0]=4 5335 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [1,1,0,0,0,0|2,0,0]=4 5336 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [1,1,0,0,0,0|2,0,0]=4 5337 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [1,1,0,0,0,0|2,0,0]=4 5338 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [1,1,0,0,0,0|2,0,0]=4 5339 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [1,1,0,0,0,0|2,0,0]=4 5340 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [1,1,0,0,0,0|2,0,0]=4 5341 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [1,1,0,0,0,0|2,0,0]=4 5342 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [1,1,0,0,0,0|2,0,0]=4 5343 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [1,1,0,0,0,0|1,0,1]=4 5344 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [1,1,0,0,0,0|1,0,1]=4 5345 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [1,1,0,0,0,0|1,0,1]=4 5346 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [1,1,0,0,0,0|1,0,0]=3 5347 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [1,1,0,0,0,0|1,0,0]=3 5348 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [1,1,0,0,0,0|1,0,0]=3 5349 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [1,1,0,0,0,0|1,0,0]=3 5350 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [1,1,0,0,0,0|1,0,0]=3 5351 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [1,1,0,0,0,0|1,0,0]=3 5352 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [1,1,0,0,0,0|1,0,0]=3 5353 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [1,1,0,0,0,0|1,0,0]=3 5354 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [1,1,0,0,0,0|1,0,0]=3 5355 B11R0.148 CCCCOCCOCC(F)F 34a_100000210227_200012177212 [1,1,0,0,0,0|2,0,0]=4 5356 B11R0.148 CCCCOCCOCC(F)F 34a_100000210238_100011934356 [1,1,0,0,0,0|2,0,0]=4 5357 B11R0.148 CCCCOCCOCC(F)F 34a_100000704375_100000210210 [1,1,0,0,0,0|2,0,0]=4 5358 B11R0.148 CCCCOCCOCC(F)F 34a_100000743014_100000743108 [1,1,0,0,0,0|2,0,0]=4 5359 B11R0.148 CCCCOCCOCC(F)F 7a_100000210227_200012177212 [1,1,0,0,0,0|2,0,0]=4 5360 B11R0.148 CCCCOCCOCC(F)F 7a_100000210238_100011934356 [1,1,0,0,0,0|2,0,0]=4 5361 B11R0.148 CCCCOCCOCC(F)F 7a_100000704375_100000210211 [1,1,0,0,0,0|2,0,0]=4 5362 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [1,1,0,0,0,0|1,0,0]=3 5363 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [1,1,0,0,0,0|1,0,0]=3 5364 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [1,1,0,0,0,0|1,0,0]=3 5365 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [1,1,0,0,0,0|1,0,0]=3 5366 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [1,1,0,0,0,0|1,1,0]=4 5367 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [1,1,0,0,0,0|1,1,0]=4 5368 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [1,1,0,0,0,0|1,1,0]=4 5369 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [1,1,0,0,0,0|1,1,0]=4 5370 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [1,1,0,0,0,0|1,1,0]=4 5371 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [1,1,0,0,0,0|1,1,0]=4 5372 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [1,1,0,0,0,0|1,1,0]=4 5373 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [1,1,0,0,0,0|1,1,0]=4 5374 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [1,1,0,0,0,0|2,0,0]=4 5375 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [1,1,0,0,0,0|2,0,0]=4 5376 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [1,1,0,0,0,0|2,0,0]=4 5377 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [1,1,0,0,0,0|2,0,0]=4 5378 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [1,1,0,0,0,0|1,1,0]=4 5379 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [1,1,0,0,0,0|1,1,0]=4 5380 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [1,1,0,0,0,0|1,1,0]=4 5381 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [1,1,0,0,0,0|1,1,0]=4 5382 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [1,1,0,0,0,0|1,1,0]=4 5383 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [1,1,0,0,0,0|1,1,0]=4 5384 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [1,1,0,0,0,0|2,0,0]=4 5385 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [1,1,0,0,0,0|2,0,0]=4 5386 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [1,1,0,0,0,0|2,0,0]=4 5387 B11R0.148 CCCOCCNCCC(C)C 2230a_100161115042_100000210312 [1,1,0,0,0,0|2,0,0]=4 5388 B11R0.148 CCCOCCNCCC(C)C 269862a_100161115042_100000185833 [1,1,0,0,0,0|2,0,0]=4 5389 B11R0.148 CCCOCCNCCC(C)C 34a_100161115042_100000210312 [1,1,0,0,0,0|2,0,0]=4 5390 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [1,1,0,0,0,0|2,0,0]=4 5391 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [1,1,0,0,0,0|2,0,0]=4 5392 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [1,1,0,0,0,0|2,0,0]=4 5393 B11R0.148 CCCOCCOCC=C(C)C 34a_100000752267_100000761012 [1,1,0,0,0,0|1,0,1]=4 5394 B11R0.148 CCCOCCOCC=C(C)C 34a_100000753907_100011215938 [1,1,0,0,0,0|1,0,1]=4 5395 B11R0.148 CCCOCCOCC=C(C)C 7a_100000752267_100000761012 [1,1,0,0,0,0|1,0,1]=4 5396 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [1,1,0,0,0,0|1,0,0]=3 5397 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [1,1,0,0,0,0|1,0,0]=3 5398 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [1,1,0,0,0,0|1,0,0]=3 5399 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [1,1,0,0,0,0|2,0,0]=4 5400 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [1,1,0,0,0,0|2,0,0]=4 5401 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [1,1,0,0,0,0|2,0,0]=4 5402 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [1,1,0,0,0,0|2,0,0]=4 5403 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [1,1,0,0,0,0|1,0,0]=3 5404 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [1,1,0,0,0,0|1,0,0]=3 5405 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [1,1,0,0,0,0|1,0,0]=3 5406 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [1,1,0,0,0,0|1,0,0]=3 5407 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [1,1,0,0,0,0|1,0,0]=3 5408 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [1,1,0,0,0,0|1,0,0]=3 5409 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [1,1,0,0,0,0|1,0,0]=3 5410 B11R0.148 CCCOCCOCCC(F)F 34a_100103093639_100011215938 [1,1,0,0,0,0|2,0,0]=4 5411 B11R0.148 CCCOCCOCCN(C)C 7a_100000752267_100000755713 [1,1,0,0,0,0|1,0,0]=3 5412 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [1,1,0,0,0,0|1,0,0]=3 5413 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [1,1,0,0,0,0|2,0,0]=4 5414 B11R0.148 CCCOCCOCOC(C)C 34a_100000752267_100000709892 [1,1,0,0,0,0|2,0,0]=4 5415 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [1,1,0,0,0,0|1,1,0]=4 5416 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [1,1,0,0,0,0|1,1,0]=4 5417 B11R0.148 CCCOCCSCCC(C)C 62a_100000210312_100011215938 [1,1,0,0,0,0|1,1,0]=4 5418 B11R0.148 CCCOCCSCCC(C)C 62a_100011215938_100000210312 [1,1,0,0,0,0|1,1,0]=4 5419 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [1,1,0,0,0,0|1,1,0]=4 5420 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [1,1,0,0,0,0|1,1,0]=4 5421 B11R0.148 CCCOCCSCCN(C)C 62a_100011215938_100000755713 [1,1,0,0,0,0|1,1,0]=4 5422 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [1,1,0,0,0,0|1,1,0]=4 5423 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [1,1,0,0,0,0|1,1,0]=4 5424 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [1,1,0,0,0,0|1,1,0]=4 5425 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [1,1,0,0,0,0|1,1,0]=4 5426 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [1,1,0,0,0,0|1,1,0]=4 5427 B11R0.148 CCCSCCOCCN(C)C 7a_200000230433_100000755713 [1,1,0,0,0,0|1,1,0]=4 5428 B11R0.148 CN(C)CCOCCOCCBr 7a_100000692535_100000755713 [1,1,0,0,0,0|2,0,0]=4 5429 B11R0.148 CN(C)CCOCCOCCCl 7a_100011215305_100000755713 [1,1,0,0,0,0|2,0,0]=4 5430 B11R0.148 CN(C)CCOCCOCCF 7a_200015357709_100000755713 [1,1,0,0,0,0|2,0,0]=4 5431 B11R0.148 CN(C)CCOCCOCCI 7a_100012149058_100000755713 [1,1,0,0,0,0|2,0,0]=4 5432 B11R0.148 CN(C)CCOCCOCCO 2230a_100102631434_100000032323 [1,1,0,0,0,0|1,0,0]=3 5433 B11R0.148 CN(C)CCOCCOCCO 2230a_200014138305_200000210301 [1,1,0,0,0,0|1,0,0]=3 5434 B11R0.148 CN(C)CCOCCOCCO 269982a_100102631434_100000032323 [1,1,0,0,0,0|1,0,0]=3 5435 B11R0.148 CN(C)CCOCCOCCO 269982a_200014138305_200000210301 [1,1,0,0,0,0|1,0,0]=3 5436 B11R0.148 CN(C)CCOCCOCCO 34a_200014138305_200000210301 [1,1,0,0,0,0|1,0,0]=3 5437 B11R0.148 CN(C)CCSCCOCCO 62a_100011215305_100000755713 [1,1,0,0,0,0|1,1,0]=4 5438 B11R0.148 CN([13CH3])CCOCCOCCO 2230a_200014138305_200025704644 [1,1,0,0,0,0|1,0,0]=3 5439 B11R0.148 CN([13CH3])CCOCCOCCO 269982a_200014138305_200025704644 [1,1,0,0,0,0|1,0,0]=3 5440 B11R0.148 CN([13CH3])CCOCCOCCO 34a_200014138305_200025704644 [1,1,0,0,0,0|1,0,0]=3 5441 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [1,1,0,0,0,0|2,0,0]=4 5442 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [1,1,0,0,0,0|2,0,0]=4 5443 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [1,1,0,0,0,0|2,0,0]=4 5444 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [1,1,0,0,0,0|1,0,1]=4 5445 B11R0.148 CNCCOCCOCC(C)C 34a_100000228057_100000210624 [1,1,0,0,0,0|1,0,0]=3 5446 B11R0.148 CNCCOCCOCC(C)O 34a_100000228057_100011218427 [1,1,0,0,0,0|1,0,0]=3 5447 B11R0.148 CNCCOCCOCC(F)F 34a_100000228057_100011934356 [1,1,0,0,0,0|2,0,0]=4 5448 B11R0.148 CNCCOCCOC[C@@H](C)O 34a_100000228057_100009817552 [1,1,0,0,0,0|1,0,0]=3 5449 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [1,1,0,0,0,0|2,0,0]=4 5450 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [1,1,0,0,0,0|2,0,0]=4 5451 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [1,1,0,0,0,0|2,0,0]=4 5452 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [1,1,0,0,0,0|2,0,0]=4 5453 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [1,1,0,0,0,0|2,0,0]=4 5454 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [1,1,0,0,0,0|2,0,0]=4 5455 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [1,1,0,0,0,0|2,0,0]=4 5456 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [1,1,0,0,0,0|2,0,0]=4 5457 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [1,1,0,0,0,0|2,0,0]=4 5458 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [1,1,0,0,0,0|2,0,0]=4 5459 B11R0.148 COCCCCOCC=C(C)C 34a_100000740925_100000761012 [1,1,0,0,0,0|1,0,1]=4 5460 B11R0.148 COCCCCOCC=C(C)C 34a_100000753907_100000755781 [1,1,0,0,0,0|1,0,1]=4 5461 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [1,1,0,0,0,0|1,0,0]=3 5462 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [1,1,0,0,0,0|1,0,0]=3 5463 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [1,1,0,0,0,0|2,0,0]=4 5464 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [1,1,0,0,0,0|2,0,0]=4 5465 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [1,1,0,0,0,0|2,0,0]=4 5466 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [1,1,0,0,0,0|1,0,0]=3 5467 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [1,1,0,0,0,0|1,0,0]=3 5468 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [1,1,0,0,0,0|1,0,0]=3 5469 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [1,1,0,0,0,0|1,0,0]=3 5470 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [1,1,0,0,0,0|1,0,0]=3 5471 B11R0.148 COCCCCOCCC(F)F 34a_100103093639_100000755781 [1,1,0,0,0,0|2,0,0]=4 5472 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [1,1,0,0,0,0|1,0,0]=3 5473 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [1,1,0,0,0,0|2,0,0]=4 5474 B11R0.148 COCCCCOCOC(C)C 34a_100000740925_100000709892 [1,1,0,0,0,0|2,0,0]=4 5475 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [1,1,0,0,0,0|1,1,0]=4 5476 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [1,1,0,0,0,0|1,1,0]=4 5477 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [1,1,0,0,0,0|1,1,0]=4 5478 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [1,1,0,0,0,0|1,1,0]=4 5479 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [1,1,0,0,0,0|1,1,0]=4 5480 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [1,1,0,0,0,0|1,1,0]=4 5481 B11R0.148 COCCCCSCCN(C)C 62a_100000730899_100000755713 [1,1,0,0,0,0|1,1,0]=4 5482 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [1,1,0,0,0,0|2,0,0]=4 5483 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [1,1,0,0,0,0|1,0,1]=4 5484 B11R0.148 COCCNCCOCC(F)F 2230a_100000209980_200012177212 [1,1,0,0,0,0|2,0,0]=4 5485 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [1,1,0,0,0,0|2,0,0]=4 5486 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [1,1,0,0,0,0|1,0,0]=3 5487 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [1,1,0,0,0,0|2,0,0]=4 5488 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [1,1,0,0,0,0|2,0,0]=4 5489 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [1,1,0,0,0,0|1,0,0]=3 5490 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [1,1,0,0,0,0|1,0,0]=3 5491 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [1,1,0,0,0,0|1,0,0]=3 5492 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [1,1,0,0,0,0|2,0,0]=4 5493 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [1,1,0,0,0,0|2,0,0]=4 5494 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [1,1,0,0,0,0|2,0,0]=4 5495 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [1,1,0,0,0,0|2,0,0]=4 5496 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [1,1,0,0,0,0|2,0,0]=4 5497 B11R0.148 COCCOCCCNC(C)C 2230a_100000206027_100000210206 [1,1,0,0,0,0|2,0,0]=4 5498 B11R0.148 COCCOCCCNC(C)C 2230a_100138425928_100011216529 [1,1,0,0,0,0|2,0,0]=4 5499 B11R0.148 COCCOCCCNC(C)C 34a_100000182298_100011201679 [1,1,0,0,0,0|2,0,0]=4 5500 B11R0.148 COCCOCCCNC(C)C 34a_100000206027_100000210206 [1,1,0,0,0,0|2,0,0]=4 5501 B11R0.148 COCCOCCCNC(C)C 34a_100138425928_100011216529 [1,1,0,0,0,0|2,0,0]=4 5502 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [1,1,0,0,0,0|2,0,0]=4 5503 B11R0.148 COCCOCCCOC(=S)C 34a_100000210237_200135323944 [1,1,0,0,0,0|2,0,0]=4 5504 B11R0.148 COCCOCCCOC(C)C 34a_100000212225_100011216529 [1,1,0,0,0,0|2,0,0]=4 5505 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [1,1,0,0,0,0|2,0,0]=4 5506 B11R0.148 COCCOCCCSC(C)C 62a_100000210206_100011216529 [1,1,0,0,0,0|2,0,0]=4 5507 B11R0.148 COCCOCCCSC(C)C 62a_100011216529_100000210206 [1,1,0,0,0,0|2,0,0]=4 5508 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [1,1,0,0,0,0|1,0,1]=4 5509 B11R0.148 COCCOCCNCC(C)C 2230a_100000210953_100000695917 [1,1,0,0,0,0|1,0,0]=3 5510 B11R0.148 COCCOCCNCC(C)C 2230a_100000745349_100000210760 [1,1,0,0,0,0|1,0,0]=3 5511 B11R0.148 COCCOCCNCC(C)C 270004a_100000745349_100000210432 [1,1,0,0,0,0|1,0,0]=3 5512 B11R0.148 COCCOCCNCC(C)C 34a_100000210953_100000695917 [1,1,0,0,0,0|1,0,0]=3 5513 B11R0.148 COCCOCCNCC(C)C 34a_100000745349_100000210624 [1,1,0,0,0,0|1,0,0]=3 5514 B11R0.148 COCCOCCNCC(C)C 34a_100015185251_100011201679 [1,1,0,0,0,0|1,0,0]=3 5515 B11R0.148 COCCOCCNCC(C)O 2230a_100000210904_100000695917 [1,1,0,0,0,0|1,0,0]=3 5516 B11R0.148 COCCOCCNCC(C)O 2230a_100000745349_100011218427 [1,1,0,0,0,0|1,0,0]=3 5517 B11R0.148 COCCOCCNCC(C)O 34a_100000210904_100000695917 [1,1,0,0,0,0|1,0,0]=3 5518 B11R0.148 COCCOCCNCC(C)O 34a_100000745349_100011218427 [1,1,0,0,0,0|1,0,0]=3 5519 B11R0.148 COCCOCCNCC(F)F 2230a_100000745349_100011934356 [1,1,0,0,0,0|2,0,0]=4 5520 B11R0.148 COCCOCCNCC(F)F 34a_100000745349_100011934356 [1,1,0,0,0,0|2,0,0]=4 5521 B11R0.148 COCCOCCNCC(F)F 34a_100000765723_100000695917 [1,1,0,0,0,0|2,0,0]=4 5522 B11R0.148 COCCOCCNC[C@@H](C)O 2230a_100000745349_100009817552 [1,1,0,0,0,0|1,0,0]=3 5523 B11R0.148 COCCOCCNC[C@@H](C)O 34a_100000745349_100009817552 [1,1,0,0,0,0|1,0,0]=3 5524 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [1,1,0,0,0,0|0,0,1]=3 5525 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [1,1,0,0,0,0|0,0,1]=3 5526 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [1,1,0,0,0,0|0,0,2]=4 5527 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [1,1,0,0,0,0|0,0,2]=4 5528 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [1,1,0,0,0,0|0,0,2]=4 5529 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [1,1,0,0,0,0|0,0,1]=3 5530 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [1,1,0,0,0,0|0,0,2]=4 5531 B11R0.148 COCCOCCOCC(C)Br 34a_100012180447_100000695917 [1,1,0,0,0,0|0,0,0]=2 5532 B11R0.148 COCCOCCOCC(C)C 34a_100000210257_100000695917 [1,1,0,0,0,0|0,0,0]=2 5533 B11R0.148 COCCOCCOCC(C)C 34a_100000703358_100011201679 [1,1,0,0,0,0|0,0,0]=2 5534 B11R0.148 COCCOCCOCC(C)C 34a_100011215163_100000210624 [1,1,0,0,0,0|0,0,0]=2 5535 B11R0.148 COCCOCCOCC(C)C 7a_100000703358_100000233755 [1,1,0,0,0,0|0,0,0]=2 5536 B11R0.148 COCCOCCOCC(C)C 7a_100011215163_100000210760 [1,1,0,0,0,0|0,0,0]=2 5537 B11R0.148 COCCOCCOCC(C)F 34a_100015925927_100000695917 [1,1,0,0,0,0|0,0,0]=2 5538 B11R0.148 COCCOCCOCC(C)O 34a_100011215163_100011218427 [1,1,0,0,0,0|0,0,0]=2 5539 B11R0.148 COCCOCCOCC(C)O 7a_100011215163_100011218427 [1,1,0,0,0,0|0,0,0]=2 5540 B11R0.148 COCCOCCOCC(F)F 34a_100000210237_200012177212 [1,1,0,0,0,0|1,0,0]=3 5541 B11R0.148 COCCOCCOCC(F)F 34a_100000704375_100011201679 [1,1,0,0,0,0|1,0,0]=3 5542 B11R0.148 COCCOCCOCC(F)F 34a_100000743014_100000695917 [1,1,0,0,0,0|1,0,0]=3 5543 B11R0.148 COCCOCCOCC(F)F 34a_100010782186_200000210301 [1,1,0,0,0,0|1,0,0]=3 5544 B11R0.148 COCCOCCOCC(F)F 34a_100011215163_100011934356 [1,1,0,0,0,0|1,0,0]=3 5545 B11R0.148 COCCOCCOCC(F)F 7a_100000704375_100000233755 [1,1,0,0,0,0|1,0,0]=3 5546 B11R0.148 COCCOCCOCC(F)F 7a_100010782186_200000210301 [1,1,0,0,0,0|1,0,0]=3 5547 B11R0.148 COCCOCCOCC(F)F 7a_100011215163_100011934356 [1,1,0,0,0,0|1,0,0]=3 5548 B11R0.148 COCCOCCOC[C@@H](C)Cl 34a_100016084084_100000695917 [1,1,0,0,0,0|0,0,0]=2 5549 B11R0.148 COCCOCCOC[C@@H](C)N 34a_100000737577_100000695917 [1,1,0,0,0,0|0,0,0]=2 5550 B11R0.148 COCCOCCOC[C@@H](C)O 34a_100011215163_100009817552 [1,1,0,0,0,0|0,0,0]=2 5551 B11R0.148 COCCOCCOC[C@@H](C)O 7a_100011215163_100009817552 [1,1,0,0,0,0|0,0,0]=2 5552 B11R0.148 COCCOCCOC[N+](=O)[O-] 34a_100011215163_100000761209 [1,1,0,0,0,0|1,0,1]=4 5553 B11R0.148 COCCOCCSCC(C)C 34a_200000230437_100011201679 [1,1,0,0,0,0|0,1,0]=3 5554 B11R0.148 COCCOCCSCC(C)C 62a_100000210624_100000695917 [1,1,0,0,0,0|0,1,0]=3 5555 B11R0.148 COCCOCCSCC(C)C 62a_100000695917_100000210760 [1,1,0,0,0,0|0,1,0]=3 5556 B11R0.148 COCCOCCSCC(C)C 7a_200000230437_100000233755 [1,1,0,0,0,0|0,1,0]=3 5557 B11R0.148 COCCOCCSCC(C)O 62a_100000695917_100011218427 [1,1,0,0,0,0|0,1,0]=3 5558 B11R0.148 COCCOCCSCC(C)O 62a_100011218427_100000695917 [1,1,0,0,0,0|0,1,0]=3 5559 B11R0.148 COCCOCCSCC(F)F 62a_100000695917_100011934356 [1,1,0,0,0,0|1,1,0]=4 5560 B11R0.148 COCCOCCSCC(F)F 62a_100011934356_100000695917 [1,1,0,0,0,0|1,1,0]=4 5561 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100000695917_100009817552 [1,1,0,0,0,0|0,1,0]=3 5562 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100009817552_100000695917 [1,1,0,0,0,0|0,1,0]=3 5563 B11R0.148 COCCOCNCCC(C)O 2230a_200000755665_100000231047 [1,1,0,0,0,0|2,0,0]=4 5564 B11R0.148 COCCOCNOCC(=O)O 269956a_100000106656_100000231047 [1,1,0,0,0,0|1,0,1]=4 5565 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [1,1,0,0,0,0|1,1,0]=4 5566 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [1,1,0,0,0,0|1,1,0]=4 5567 B11R0.148 COCCOCSCCC(C)C 62a_100000210312_100000231047 [1,1,0,0,0,0|1,1,0]=4 5568 B11R0.148 COCCOCSCCC(C)C 62a_100000231047_100000210312 [1,1,0,0,0,0|1,1,0]=4 5569 B11R0.148 COCCOCSCCC(C)O 62a_100000231047_100012276601 [1,1,0,0,0,0|1,1,0]=4 5570 B11R0.148 COCCOCSCCC(C)O 62a_100012276601_100000231047 [1,1,0,0,0,0|1,1,0]=4 5571 B11R0.148 COCCOCSCCN(C)C 62a_100000231047_100000755713 [1,1,0,0,0,0|1,1,0]=4 5572 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [1,1,0,0,0,0|1,1,0]=4 5573 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [1,1,0,0,0,0|1,1,0]=4 5574 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [1,1,0,0,0,0|1,1,0]=4 5575 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [1,1,0,0,0,0|1,1,0]=4 5576 B11R0.148 COCCSCCCCN(C)C 62a_100000233755_100000690147 [1,1,0,0,0,0|1,1,0]=4 5577 B11R0.148 COCCSCCOCC(F)F 62a_100000233755_200012177212 [1,1,0,0,0,0|1,1,0]=4 5578 B11R0.148 COCCSCCOCC(F)F 62a_200012177212_100000233755 [1,1,0,0,0,0|1,1,0]=4 5579 B11R0.148 COCNCCCOCC(C)C 2230a_100000205972_100000766300 [1,1,0,0,0,0|2,0,0]=4 5580 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [1,1,0,0,0,0|1,1,0]=4 5581 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [1,1,0,0,0,0|1,1,0]=4 5582 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [1,1,0,0,0,0|1,1,0]=4 5583 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [1,1,0,0,0,0|1,1,0]=4 5584 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [1,1,0,0,0,0|1,1,0]=4 5585 B11R0.148 CSCCCCOCCN(C)C 7a_100011217163_100000755713 [1,1,0,0,0,0|1,1,0]=4 5586 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [1,1,0,0,0,0|1,1,0]=4 5587 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [1,1,0,0,0,0|1,1,0]=4 5588 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [1,1,0,0,0,0|1,1,0]=4 5589 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [1,1,0,0,0,0|1,1,0]=4 5590 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [1,1,0,0,0,0|1,1,0]=4 5591 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [1,1,0,0,0,0|1,1,0]=4 5592 B11R0.148 CSCCOCCNCC(C)C 34a_100015185251_100000212216 [1,1,0,0,0,0|1,1,0]=4 5593 B11R0.148 CSCCOCCOCC(C)C 34a_100000703358_100000212216 [1,1,0,0,0,0|0,1,0]=3 5594 B11R0.148 CSCCOCCOCC(C)C 7a_100000703358_100000212216 [1,1,0,0,0,0|0,1,0]=3 5595 B11R0.148 CSCCOCCOCC(F)F 34a_100000230434_200012177212 [1,1,0,0,0,0|1,1,0]=4 5596 B11R0.148 CSCCOCCOCC(F)F 34a_100000704375_100000212216 [1,1,0,0,0,0|1,1,0]=4 5597 B11R0.148 CSCCOCCOCC(F)F 7a_100000230434_200012177212 [1,1,0,0,0,0|1,1,0]=4 5598 B11R0.148 CSCCOCCOCC(F)F 7a_100000704375_100000212216 [1,1,0,0,0,0|1,1,0]=4 5599 B11R0.148 CSCCOCCSCC(C)C 34a_200000230437_100000212216 [1,1,0,0,0,0|0,2,0]=4 5600 B11R0.148 CSCCOCCSCC(C)C 7a_200000230437_100000212216 [1,1,0,0,0,0|0,2,0]=4 5601 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|2,0,0]=4 5602 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [1,1,0,0,0,0|1,0,0]=3 5603 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [1,1,0,0,0,0|2,0,0]=4 5604 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [1,1,0,0,0,0|2,0,0]=4 5605 B11R0.148 NOCCOCCOCC(F)F 34a_100000700252_200012177212 [1,1,0,0,0,0|2,0,0]=4 5606 B11R0.148 OCCOCCOCCC(F)F 34a_100103093639_100000692535 [1,1,0,0,0,0|2,0,0]=4 5607 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [1,1,0,0,0,0|1,0,0]=3 5608 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [1,1,0,0,0,0|1,0,1]=4 5609 B11R0.148 [13CH3]OCCOCCOCC(F)F 34a_100010782186_200025704644 [1,1,0,0,0,0|1,0,0]=3 5610 B11R0.148 [13CH3]OCCOCCOCC(F)F 7a_100010782186_200025704644 [1,1,0,0,0,0|1,0,0]=3 5611 B13R0.2 C#CCC(=O)COCCOCCOC 1458a_100011214951_100000184674 [0,2,0,0,0,0|1,0,1]=4 5612 B13R0.2 C#CCC(C)OCCCOCCOC 34a_100000685586_100011216529 [0,2,0,0,0,0|1,0,1]=4 5613 B13R0.2 C#CCC(C)OCCCOCCOC 7a_100000685586_100011216529 [0,2,0,0,0,0|1,0,1]=4 5614 B13R0.2 C#CCC(C)OCCOCCOCC 34a_100000685586_100011211534 [0,2,0,0,0,0|1,0,1]=4 5615 B13R0.2 C#CCC(C)OCCOCCOCC 7a_100000685586_100011211534 [0,2,0,0,0,0|1,0,1]=4 5616 B13R0.2 C/C=C/C(C)OCCCOCCOC 34a_200102604097_100011216529 [0,2,0,0,0,0|1,0,1]=4 5617 B13R0.2 C/C=C/C(C)OCCOCCOCC 34a_200102604097_100011211534 [0,2,0,0,0,0|1,0,1]=4 5618 B13R0.2 C=CCC(=O)COCCOCCOC 1458a_100011214951_100000210623 [0,2,0,0,0,0|1,0,1]=4 5619 B13R0.2 C=CCC(C)COCCOCCOC 34a_100009832082_100000695917 [0,2,0,0,0,0|1,0,1]=4 5620 B13R0.2 C=CCC(C)COCCOCCOC 7a_100009832082_100000695917 [0,2,0,0,0,0|1,0,1]=4 5621 B13R0.2 C=CC[C@@H](C)OCCCOCCOC 34a_100000731007_100011216529 [0,2,0,0,0,0|1,0,1]=4 5622 B13R0.2 C=CC[C@@H](C)OCCCOCCOC 7a_100000731007_100011216529 [0,2,0,0,0,0|1,0,1]=4 5623 B13R0.2 C=CC[C@@H](C)OCCOCCOCC 34a_100000731007_100011211534 [0,2,0,0,0,0|1,0,1]=4 5624 B13R0.2 C=CC[C@@H](C)OCCOCCOCC 7a_100000731007_100011211534 [0,2,0,0,0,0|1,0,1]=4 5625 B13R0.2 C=CC[C@@H](N)COCCOCCOC 34a_100020615467_100000695917 [0,2,0,0,0,0|1,0,1]=4 5626 B13R0.2 C=COC(=O)COCCOCCOC 34a_100011215163_100000036128 [0,2,0,0,0,0|0,0,2]=4 5627 B13R0.2 C=COCCOCCOC(C)CCC 34a_100000039918_100000766640 [0,2,0,0,0,0|1,0,1]=4 5628 B13R0.2 C=COCCOCCOC(C)CCC 7a_100000039918_100000766640 [0,2,0,0,0,0|1,0,1]=4 5629 B13R0.2 C=COCCOCCOC(C)COC 34a_100000039918_100000765312 [0,2,0,0,0,0|0,0,1]=3 5630 B13R0.2 C=COCCOCCOC(C)COC 7a_100000039918_100000765312 [0,2,0,0,0,0|0,0,1]=3 5631 B13R0.2 CC#CC(C)OCCCOCCOC 34a_100011216543_100011216529 [0,2,0,0,0,0|1,0,1]=4 5632 B13R0.2 CC#CC(C)OCCOCCOCC 34a_100011216543_100011211534 [0,2,0,0,0,0|1,0,1]=4 5633 B13R0.2 CCCC(=O)CNCCOCCOC 2230a_100000745349_100000747444 [0,2,0,0,0,0|2,0,0]=4 5634 B13R0.2 CCCC(=O)COCCOCCOC 1458a_100011214951_100000210303 [0,2,0,0,0,0|1,0,0]=3 5635 B13R0.2 CCCC(=O)COCCOCCOC 7a_100011215163_100000747444 [0,2,0,0,0,0|1,0,0]=3 5636 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000695917_100000747444 [0,2,0,0,0,0|1,1,0]=4 5637 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000747444_100000695917 [0,2,0,0,0,0|1,1,0]=4 5638 B13R0.2 CCCC(=O)OCSCOCCOC 62a_100000231047_100000034017 [0,2,0,0,0,0|1,0,1]=4 5639 B13R0.2 CCCC(C)CCCOCCCOC 34a_100011713154_100000740836 [0,2,0,0,0,0|2,0,0]=4 5640 B13R0.2 CCCC(C)CCCOCCCOC 7a_100011713154_100000740836 [0,2,0,0,0,0|2,0,0]=4 5641 B13R0.2 CCCC(C)CCCOCCOCC 34a_100011713154_100000210147 [0,2,0,0,0,0|2,0,0]=4 5642 B13R0.2 CCCC(C)CCCOCCOCC 7a_100011713154_100011215890 [0,2,0,0,0,0|2,0,0]=4 5643 B13R0.2 CCCC(C)CNCCOCCOC 2230a_100000745349_100011216630 [0,2,0,0,0,0|2,0,0]=4 5644 B13R0.2 CCCC(C)CNCCOCCOC 270004a_100000745349_100000243154 [0,2,0,0,0,0|2,0,0]=4 5645 B13R0.2 CCCC(C)CNCCOCCOC 34a_100000745349_100011216630 [0,2,0,0,0,0|2,0,0]=4 5646 B13R0.2 CCCC(C)COCCOCCNC 34a_100000228057_100011216630 [0,2,0,0,0,0|2,0,0]=4 5647 B13R0.2 CCCC(C)COCCOCCOC 34a_100000688023_100000695917 [0,2,0,0,0,0|1,0,0]=3 5648 B13R0.2 CCCC(C)COCCOCCOC 34a_100011215163_100011216630 [0,2,0,0,0,0|1,0,0]=3 5649 B13R0.2 CCCC(C)COCCOCCOC 7a_100000688023_100000695917 [0,2,0,0,0,0|1,0,0]=3 5650 B13R0.2 CCCC(C)COCCOCCOC 7a_100011215163_100011216630 [0,2,0,0,0,0|1,0,0]=3 5651 B13R0.2 CCCC(C)CSCCOCCOC 62a_100000695917_100011216630 [0,2,0,0,0,0|1,1,0]=4 5652 B13R0.2 CCCC(C)CSCCOCCOC 62a_100011216630_100000695917 [0,2,0,0,0,0|1,1,0]=4 5653 B13R0.2 CCCC(C)NCCCOCCOC 2230a_100000206027_100000766640 [0,2,0,0,0,0|2,0,0]=4 5654 B13R0.2 CCCC(C)NCCCOCCOC 2230a_100000741246_100011216529 [0,2,0,0,0,0|2,0,0]=4 5655 B13R0.2 CCCC(C)NCCCOCCOC 270004a_100000206027_100000211909 [0,2,0,0,0,0|2,0,0]=4 5656 B13R0.2 CCCC(C)NCCCOCCOC 34a_100000206027_100000766640 [0,2,0,0,0,0|2,0,0]=4 5657 B13R0.2 CCCC(C)NCCOCCOCC 2230a_100000741246_100011211534 [0,2,0,0,0,0|2,0,0]=4 5658 B13R0.2 CCCC(C)NCCOCCOCC 2230a_100102712874_100000766640 [0,2,0,0,0,0|2,0,0]=4 5659 B13R0.2 CCCC(C)NCCOCCOCC 270004a_100102712874_100000211909 [0,2,0,0,0,0|2,0,0]=4 5660 B13R0.2 CCCC(C)NCCOCCOCC 34a_100102712874_100000766640 [0,2,0,0,0,0|2,0,0]=4 5661 B13R0.2 CCCC(C)OCCCCCCOC 34a_100000764384_100011998445 [0,2,0,0,0,0|2,0,0]=4 5662 B13R0.2 CCCC(C)OCCCCCCOC 34a_200012092642_100000766640 [0,2,0,0,0,0|2,0,0]=4 5663 B13R0.2 CCCC(C)OCCCCCCOC 7a_100000764384_100011998445 [0,2,0,0,0,0|2,0,0]=4 5664 B13R0.2 CCCC(C)OCCCCCCOC 7a_200012092642_100000766640 [0,2,0,0,0,0|2,0,0]=4 5665 B13R0.2 CCCC(C)OCCCOCCOC 34a_100000764384_100011216529 [0,2,0,0,0,0|1,0,0]=3 5666 B13R0.2 CCCC(C)OCCCOCCOC 7a_100000764384_100011216529 [0,2,0,0,0,0|1,0,0]=3 5667 B13R0.2 CCCC(C)OCCOCCOCC 34a_100000210240_100000766640 [0,2,0,0,0,0|1,0,0]=3 5668 B13R0.2 CCCC(C)OCCOCCOCC 34a_100000764384_100011211534 [0,2,0,0,0,0|1,0,0]=3 5669 B13R0.2 CCCC(C)OCCOCCOCC 7a_100000210240_100000766640 [0,2,0,0,0,0|1,0,0]=3 5670 B13R0.2 CCCC(C)OCCOCCOCC 7a_100000764384_100011211534 [0,2,0,0,0,0|1,0,0]=3 5671 B13R0.2 CCCC(C)SCCCOCCOC 62a_100000766640_100011216529 [0,2,0,0,0,0|1,1,0]=4 5672 B13R0.2 CCCC(C)SCCCOCCOC 62a_100011216529_100000766640 [0,2,0,0,0,0|1,1,0]=4 5673 B13R0.2 CCCC(C)SCCOCCOCC 62a_100000766640_100011211534 [0,2,0,0,0,0|1,1,0]=4 5674 B13R0.2 CCCC(C)SCCOCCOCC 62a_100011211534_100000766640 [0,2,0,0,0,0|1,1,0]=4 5675 B13R0.2 CCCC/C=C\CCOC(C)COC 34a_200016286491_100000765312 [0,2,0,0,0,0|2,0,0]=4 5676 B13R0.2 CCCC/C=C\CCOC(C)COC 7a_200016286491_100000765312 [0,2,0,0,0,0|2,0,0]=4 5677 B13R0.2 CCCCC#CCCOC(C)COC 34a_100000037610_100000765312 [0,2,0,0,0,0|2,0,0]=4 5678 B13R0.2 CCCCC#CCCOC(C)COC 7a_100000037610_100000765312 [0,2,0,0,0,0|2,0,0]=4 5679 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,2,0,0,0,0|2,0,0]=4 5680 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,2,0,0,0,0|2,0,0]=4 5681 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,2,0,0,0,0|2,0,0]=4 5682 B13R0.2 CCCCCCCOCC(N)COC 34a_100000724102_100000210614 [0,2,0,0,0,0|2,0,0]=4 5683 B13R0.2 CCCCCCCOCC(O)COC 34a_100000210272_100011215053 [0,2,0,0,0,0|2,0,0]=4 5684 B13R0.2 CCCCCCCOCC(O)COC 7a_100000210272_100011215053 [0,2,0,0,0,0|2,0,0]=4 5685 B13R0.2 CCCCCNCCOC(C)COC 34a_100000224656_100000765312 [0,2,0,0,0,0|2,0,0]=4 5686 B13R0.2 CCCCCOCCOC(C)CCC 34a_100011215259_100000766640 [0,2,0,0,0,0|2,0,0]=4 5687 B13R0.2 CCCCCOCCOC(C)CCC 7a_100011215259_100000766640 [0,2,0,0,0,0|2,0,0]=4 5688 B13R0.2 CCCCCOCCOC(C)COC 34a_100011215259_100000765312 [0,2,0,0,0,0|1,0,0]=3 5689 B13R0.2 CCCCCOCCOC(C)COC 7a_100011215259_100000765312 [0,2,0,0,0,0|1,0,0]=3 5690 B13R0.2 CCCCOCCCNC(C)COC 2230a_200000211371_100000765312 [0,2,0,0,0,0|2,0,0]=4 5691 B13R0.2 CCCCOCCCNC(C)COC 270004a_200000211371_100000749346 [0,2,0,0,0,0|2,0,0]=4 5692 B13R0.2 CCCCOCCCNC(C)COC 34a_200000211371_100000765312 [0,2,0,0,0,0|2,0,0]=4 5693 B13R0.2 CCCCOCCCOC(C)CCC 34a_200011215613_100000766640 [0,2,0,0,0,0|2,0,0]=4 5694 B13R0.2 CCCCOCCCOC(C)CCC 7a_200011215613_100000766640 [0,2,0,0,0,0|2,0,0]=4 5695 B13R0.2 CCCCOCCCOC(C)COC 34a_200011215613_100000765312 [0,2,0,0,0,0|1,0,0]=3 5696 B13R0.2 CCCCOCCCOC(C)COC 7a_200011215613_100000765312 [0,2,0,0,0,0|1,0,0]=3 5697 B13R0.2 CCCCOCCNCC(O)COC 2230a_100000756049_100000743108 [0,2,0,0,0,0|2,0,0]=4 5698 B13R0.2 CCCCOCCNCC(O)COC 34a_100000756049_100000743108 [0,2,0,0,0,0|2,0,0]=4 5699 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,2,0,0,0,0|2,0,0]=4 5700 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,2,0,0,0,0|2,0,0]=4 5701 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,2,0,0,0,0|1,0,1]=4 5702 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,2,0,0,0,0|1,0,1]=4 5703 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,2,0,0,0,0|1,0,1]=4 5704 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,2,0,0,0,0|1,0,1]=4 5705 B13R0.2 CCCCOCCOCC(C)CCC 34a_100000210238_100011216630 [0,2,0,0,0,0|2,0,0]=4 5706 B13R0.2 CCCCOCCOCC(C)CCC 34a_100000688023_100000743108 [0,2,0,0,0,0|2,0,0]=4 5707 B13R0.2 CCCCOCCOCC(C)CCC 7a_100000210238_100011216630 [0,2,0,0,0,0|2,0,0]=4 5708 B13R0.2 CCCCOCCOCC(C)CCC 7a_100000688023_100000743108 [0,2,0,0,0,0|2,0,0]=4 5709 B13R0.2 CCCCOCCOCC(C)CCN 34a_106354213184_100000743108 [0,2,0,0,0,0|2,0,0]=4 5710 B13R0.2 CCCCOCCOCC(N)COC 34a_100000724102_100000743108 [0,2,0,0,0,0|1,0,0]=3 5711 B13R0.2 CCCCOCCOCC(O)COC 34a_100000210238_100011215053 [0,2,0,0,0,0|1,0,0]=3 5712 B13R0.2 CCCCOCCOCC(O)COC 7a_100000210238_100011215053 [0,2,0,0,0,0|1,0,0]=3 5713 B13R0.2 CCCCOCCOC[C@@H](N)CCC 34a_100000732646_100000743108 [0,2,0,0,0,0|2,0,0]=4 5714 B13R0.2 CCCCOCCSCC(O)COC 62a_100000743108_100011215053 [0,2,0,0,0,0|1,1,0]=4 5715 B13R0.2 CCCCOCCSCC(O)COC 62a_100011215053_100000743108 [0,2,0,0,0,0|1,1,0]=4 5716 B13R0.2 CCCCSCCOCC(O)COC 34a_200000230436_100011215053 [0,2,0,0,0,0|1,1,0]=4 5717 B13R0.2 CCCCSCCOCC(O)COC 7a_200000230436_100011215053 [0,2,0,0,0,0|1,1,0]=4 5718 B13R0.2 CCC[C@H](N)COCCOCCOC 34a_100000732646_100000695917 [0,2,0,0,0,0|1,0,0]=3 5719 B13R0.2 CCNC(=O)COCCOCCOC 11a_100015525214_100011214951 [0,2,0,0,0,0|1,0,1]=4 5720 B13R0.2 CCNC(=O)COCCOCCOC 240690a_100015525214_100011214951 [0,2,0,0,0,0|1,0,1]=4 5721 B13R0.2 CCNC(=O)COCCOCCOC 34a_100011215163_100000183381 [0,2,0,0,0,0|1,0,1]=4 5722 B13R0.2 CCNC(=O)COCCOCCOC 527a_100015525214_100011214951 [0,2,0,0,0,0|1,0,1]=4 5723 B13R0.2 CCNC(=O)COCCOCCOC 7a_100011215163_100000183381 [0,2,0,0,0,0|1,0,1]=4 5724 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,2,0,0,0,0|1,0,1]=4 5725 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,2,0,0,0,0|1,0,1]=4 5726 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,2,0,0,0,0|1,0,1]=4 5727 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,2,0,0,0,0|1,0,1]=4 5728 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,2,0,0,0,0|1,0,1]=4 5729 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,2,0,0,0,0|0,0,1]=3 5730 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,2,0,0,0,0|0,0,1]=3 5731 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,2,0,0,0,0|0,0,1]=3 5732 B13R0.2 CCOC(=O)COCCOCCON 34a_100000700252_100000088970 [0,2,0,0,0,0|1,0,1]=4 5733 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,2,0,0,0,0|0,1,1]=4 5734 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,2,0,0,0,0|0,1,1]=4 5735 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,2,0,0,0,0|0,1,1]=4 5736 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,2,0,0,0,0|0,1,1]=4 5737 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,2,0,0,0,0|0,1,1]=4 5738 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,2,0,0,0,0|0,1,1]=4 5739 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,2,0,0,0,0|0,1,1]=4 5740 B13R0.2 CCOCCOCCNC(=O)COC 11a_100102712874_100000210968 [0,2,0,0,0,0|1,0,1]=4 5741 B13R0.2 CCOCCOCCNC(=O)COC 1626a_100102712874_100000210968 [0,2,0,0,0,0|1,0,1]=4 5742 B13R0.2 CCOCCOCCNC(=O)COC 240690a_100102712874_100000210968 [0,2,0,0,0,0|1,0,1]=4 5743 B13R0.2 CCOCCOCCNC(=O)COC 527a_100102712874_100000210968 [0,2,0,0,0,0|1,0,1]=4 5744 B13R0.2 CCOCCOCCNC(C)COC 2230a_100102712874_100000765312 [0,2,0,0,0,0|1,0,0]=3 5745 B13R0.2 CCOCCOCCNC(C)COC 270004a_100102712874_100000749346 [0,2,0,0,0,0|1,0,0]=3 5746 B13R0.2 CCOCCOCCNC(C)COC 34a_100102712874_100000765312 [0,2,0,0,0,0|1,0,0]=3 5747 B13R0.2 CCOCCOCCNC(C)CSC 270004a_100102712874_100011216314 [0,2,0,0,0,0|1,1,0]=4 5748 B13R0.2 CCOCCOCCN[C@H](C)COC 2230a_100000764878_100011211534 [0,2,0,0,0,0|1,0,0]=3 5749 B13R0.2 CCOCCOCCOC(C)CC#N 7a_100000210240_100009813641 [0,2,0,0,0,0|2,0,0]=4 5750 B13R0.2 CCOCCOCCOC(C)CCBr 34a_100012276601_100011211534 [0,2,0,0,0,0|2,0,0]=4 5751 B13R0.2 CCOCCOCCOC(C)CCO 34a_100000210240_100009893172 [0,2,0,0,0,0|2,0,0]=4 5752 B13R0.2 CCOCCOCCOC(C)CCO 7a_100000210240_100009893172 [0,2,0,0,0,0|2,0,0]=4 5753 B13R0.2 CCOCCOCCOC(C)COC 34a_100000210240_100000765312 [0,2,0,0,0,0|0,0,0]=2 5754 B13R0.2 CCOCCOCCOC(C)COC 7a_100000210240_100000765312 [0,2,0,0,0,0|0,0,0]=2 5755 B13R0.2 CCOCCOCCO[C@H](C)COC 34a_100011934205_100011211534 [0,2,0,0,0,0|0,0,0]=2 5756 B13R0.2 CCOCCOCCSC(C)COC 62a_100000765312_100011211534 [0,2,0,0,0,0|0,1,0]=3 5757 B13R0.2 CCOCCOCCSC(C)COC 62a_100011211534_100000765312 [0,2,0,0,0,0|0,1,0]=3 5758 B13R0.2 CNCCCCCOCC(O)COC 34a_100000722520_100011215053 [0,2,0,0,0,0|2,0,0]=4 5759 B13R0.2 CNCCOCCOCC(O)COC 34a_100000228057_100011215053 [0,2,0,0,0,0|1,0,0]=3 5760 B13R0.2 CNNC(=O)COCCOCCOC 22a_100016993582_100011214951 [0,2,0,0,0,0|1,0,1]=4 5761 B13R0.2 COCC(C)OCCCCCCCBr 34a_100000760002_100000765312 [0,2,0,0,0,0|2,0,0]=4 5762 B13R0.2 COCC(C)OCCCCCCCBr 7a_100000760002_100000765312 [0,2,0,0,0,0|2,0,0]=4 5763 B13R0.2 COCC(C)OCCCCCCCN 34a_100011996573_100000765312 [0,2,0,0,0,0|2,0,0]=4 5764 B13R0.2 COCC(C)OCCCOCCCN 34a_100011310245_100000765312 [0,2,0,0,0,0|2,0,0]=4 5765 B13R0.2 COCCCCCCN[C@H](C)COC 2230a_100000764878_100011998445 [0,2,0,0,0,0|2,0,0]=4 5766 B13R0.2 COCCCCCCOC(C)COC 34a_200012092642_100000765312 [0,2,0,0,0,0|1,0,0]=3 5767 B13R0.2 COCCCCCCOC(C)COC 7a_200012092642_100000765312 [0,2,0,0,0,0|1,0,0]=3 5768 B13R0.2 COCCCCCCO[C@H](C)COC 34a_100011934205_100011998445 [0,2,0,0,0,0|1,0,0]=3 5769 B13R0.2 COCCCCCCSC(C)COC 62a_100000765312_100011998445 [0,2,0,0,0,0|1,1,0]=4 5770 B13R0.2 COCCCCCCSC(C)COC 62a_100011998445_100000765312 [0,2,0,0,0,0|1,1,0]=4 5771 B13R0.2 COCCCCCNCC(O)COC 34a_100000747528_100011215053 [0,2,0,0,0,0|2,0,0]=4 5772 B13R0.2 COCCOCCCNC(=O)COC 1626a_100000206027_100000210968 [0,2,0,0,0,0|1,0,1]=4 5773 B13R0.2 COCCOCCCNC(=O)COC 240690a_100000206027_100000210968 [0,2,0,0,0,0|1,0,1]=4 5774 B13R0.2 COCCOCCCNC(C)COC 2230a_100000206027_100000765312 [0,2,0,0,0,0|1,0,0]=3 5775 B13R0.2 COCCOCCCNC(C)COC 270004a_100000206027_100000749346 [0,2,0,0,0,0|1,0,0]=3 5776 B13R0.2 COCCOCCCNC(C)COC 34a_100000206027_100000765312 [0,2,0,0,0,0|1,0,0]=3 5777 B13R0.2 COCCOCCCNC(C)CSC 270004a_100000206027_100011216314 [0,2,0,0,0,0|1,1,0]=4 5778 B13R0.2 COCCOCCCN[C@H](C)COC 2230a_100000764878_100011216529 [0,2,0,0,0,0|1,0,0]=3 5779 B13R0.2 COCCOCCCOC(C)CCBr 34a_100012276601_100011216529 [0,2,0,0,0,0|2,0,0]=4 5780 B13R0.2 COCCOCCCO[C@H](C)COC 34a_100011934205_100011216529 [0,2,0,0,0,0|0,0,0]=2 5781 B13R0.2 COCCOCCCSC(C)COC 62a_100000765312_100011216529 [0,2,0,0,0,0|0,1,0]=3 5782 B13R0.2 COCCOCCCSC(C)COC 62a_100011216529_100000765312 [0,2,0,0,0,0|0,1,0]=3 5783 B13R0.2 COCCOCCNCC(O)COC 2230a_100000756049_100000695917 [0,2,0,0,0,0|1,0,0]=3 5784 B13R0.2 COCCOCCNCC(O)COC 34a_100000745349_100011215053 [0,2,0,0,0,0|1,0,0]=3 5785 B13R0.2 COCCOCCNCC(O)COC 34a_100000756049_100000695917 [0,2,0,0,0,0|1,0,0]=3 5786 B13R0.2 COCCOCCOCC(=O)CC#N 1458a_100011214951_100011214920 [0,2,0,0,0,0|2,0,0]=4 5787 B13R0.2 COCCOCCOCC(=O)CCF 1458a_100011214951_100011217306 [0,2,0,0,0,0|1,0,1]=4 5788 B13R0.2 COCCOCCOCC(=O)CCO 1458a_100011214951_100000211926 [0,2,0,0,0,0|1,0,1]=4 5789 B13R0.2 COCCOCCOCC(=O)NCO 34a_100011215163_100000185155 [0,2,0,0,0,0|1,0,1]=4 5790 B13R0.2 COCCOCCOCC(=O)NCO 7a_100011215163_100000185155 [0,2,0,0,0,0|1,0,1]=4 5791 B13R0.2 COCCOCCOCC(C)CCN 34a_106354213184_100000695917 [0,2,0,0,0,0|1,0,0]=3 5792 B13R0.2 COCCOCCOCC(N)COC 34a_100000724102_100000695917 [0,2,0,0,0,0|0,0,0]=2 5793 B13R0.2 COCCOCCOCC(O)COC 34a_100011215163_100011215053 [0,2,0,0,0,0|0,0,0]=2 5794 B13R0.2 COCCOCCOCC(O)COC 7a_100011215163_100011215053 [0,2,0,0,0,0|0,0,0]=2 5795 B13R0.2 COCCOCCOC[C@@H](O)CC#N 7a_100011215163_100000001066 [0,2,0,0,0,0|1,0,1]=4 5796 B13R0.2 COCCOCCSCC(O)COC 62a_100000695917_100011215053 [0,2,0,0,0,0|0,1,0]=3 5797 B13R0.2 COCCOCCSCC(O)COC 62a_100011215053_100000695917 [0,2,0,0,0,0|0,1,0]=3 5798 B13R0.2 COC[C@@H](C)OCCCCCCCO 34a_100011934205_100000760002 [0,2,0,0,0,0|2,0,0]=4 5799 B13R0.66 C=C(CSCOCCOC)OCOC 62a_100000042856_100000231047 [0,2,0,0,0,0|2,0,0]=4 5800 B13R0.66 C=C(CSCOCCOC)OCOC 62a_100000231047_100000042856 [0,2,0,0,0,0|2,0,0]=4 5801 B13R0.66 C=CCCC(C)OCCOCCOC 34a_100000765329_100000695917 [0,2,0,0,0,0|1,0,1]=4 5802 B13R0.66 C=CCCC(C)OCCOCCOC 7a_100000765329_100000695917 [0,2,0,0,0,0|1,0,1]=4 5803 B13R0.66 CCC#CC(C)OCCOCCOC 34a_100000033903_100000695917 [0,2,0,0,0,0|1,0,1]=4 5804 B13R0.66 CCC#CC(C)OCCOCCOC 7a_100000033903_100000695917 [0,2,0,0,0,0|1,0,1]=4 5805 B13R0.66 CCCCC(=O)CCCOCCOC 1458a_100000210183_100011216529 [0,2,0,0,0,0|2,0,0]=4 5806 B13R0.66 CCCCC(=O)CCOCCOCC 1458a_100000210183_100011211534 [0,2,0,0,0,0|2,0,0]=4 5807 B13R0.66 CCCCC(=O)NCCOCCOC 11a_100000745349_100000210183 [0,2,0,0,0,0|2,0,0]=4 5808 B13R0.66 CCCCC(=O)NCCOCCOC 1626a_100000745349_100000210183 [0,2,0,0,0,0|2,0,0]=4 5809 B13R0.66 CCCCC(=O)NCCOCCOC 240690a_100000745349_100000210183 [0,2,0,0,0,0|2,0,0]=4 5810 B13R0.66 CCCCC(=O)NCCOCCOC 527a_100000745349_100000210183 [0,2,0,0,0,0|2,0,0]=4 5811 B13R0.66 CCCCC(C)NCCOCCOC 2230a_100000126638_100000695917 [0,2,0,0,0,0|2,0,0]=4 5812 B13R0.66 CCCCC(C)NCCOCCOC 2230a_100000745349_200011215066 [0,2,0,0,0,0|2,0,0]=4 5813 B13R0.66 CCCCC(C)NCCOCCOC 270004a_100000745349_100000210087 [0,2,0,0,0,0|2,0,0]=4 5814 B13R0.66 CCCCC(C)NCCOCCOC 34a_100000745349_200011215066 [0,2,0,0,0,0|2,0,0]=4 5815 B13R0.66 CCCCC(C)OCCOCCNC 34a_100000228057_200011215066 [0,2,0,0,0,0|2,0,0]=4 5816 B13R0.66 CCCCC(C)OCCOCCOC 34a_100000687866_100000695917 [0,2,0,0,0,0|1,0,0]=3 5817 B13R0.66 CCCCC(C)OCCOCCOC 34a_100011215163_200011215066 [0,2,0,0,0,0|1,0,0]=3 5818 B13R0.66 CCCCC(C)OCCOCCOC 7a_100000687866_100000695917 [0,2,0,0,0,0|1,0,0]=3 5819 B13R0.66 CCCCC(C)OCCOCCOC 7a_100011215163_200011215066 [0,2,0,0,0,0|1,0,0]=3 5820 B13R0.66 CCCCC(C)SCCOCCOC 62a_100000695917_200011215066 [0,2,0,0,0,0|1,1,0]=4 5821 B13R0.66 CCCCC(C)SCCOCCOC 62a_200011215066_100000695917 [0,2,0,0,0,0|1,1,0]=4 5822 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [0,2,0,0,0,0|2,0,0]=4 5823 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [0,2,0,0,0,0|2,0,0]=4 5824 B13R0.66 CCCCN(C)CCCOCCOC 2230a_100000207549_100011216529 [0,2,0,0,0,0|2,0,0]=4 5825 B13R0.66 CCCCN(C)CCCOCCOC 269982a_100000207549_100011216529 [0,2,0,0,0,0|2,0,0]=4 5826 B13R0.66 CCCCN(C)CCOCCOCC 2230a_100000207549_100011211534 [0,2,0,0,0,0|2,0,0]=4 5827 B13R0.66 CCCCN(C)CCOCCOCC 269982a_100000207549_100011211534 [0,2,0,0,0,0|2,0,0]=4 5828 B13R0.66 CCCCOCCOC(C)CCCC 34a_100000210238_200011215066 [0,2,0,0,0,0|2,0,0]=4 5829 B13R0.66 CCCCOCCOC(C)CCCC 34a_100000687866_100000743108 [0,2,0,0,0,0|2,0,0]=4 5830 B13R0.66 CCCCOCCOC(C)CCCC 7a_100000210238_200011215066 [0,2,0,0,0,0|2,0,0]=4 5831 B13R0.66 CCCCOCCOC(C)CCCC 7a_100000687866_100000743108 [0,2,0,0,0,0|2,0,0]=4 5832 B13R0.66 CCCCOCCOC(C)CCCCl 34a_200000718107_100000743108 [0,2,0,0,0,0|2,0,0]=4 5833 B13R0.66 CCCCOCCOC(C)CCCCl 7a_200000718107_100000743108 [0,2,0,0,0,0|2,0,0]=4 5834 B13R0.66 CCCCOCCOC(C)COCC 34a_100000718985_100000743108 [0,2,0,0,0,0|1,0,0]=3 5835 B13R0.66 CCCCOCCOC(C)COCC 7a_100000718985_100000743108 [0,2,0,0,0,0|1,0,0]=3 5836 B13R0.66 CCOCC(=O)CCCOCCOC 1458a_100000211967_100011216529 [0,2,0,0,0,0|1,0,1]=4 5837 B13R0.66 CCOCC(=O)NCCOCCOC 11a_100000745349_100000211967 [0,2,0,0,0,0|1,0,1]=4 5838 B13R0.66 CCOCC(=O)NCCOCCOC 1626a_100000745349_100000211967 [0,2,0,0,0,0|1,0,1]=4 5839 B13R0.66 CCOCC(=O)NCCOCCOC 240690a_100000745349_100000211967 [0,2,0,0,0,0|1,0,1]=4 5840 B13R0.66 CCOCC(=O)NCCOCCOC 527a_100000745349_100000211967 [0,2,0,0,0,0|1,0,1]=4 5841 B13R0.66 CCOCC(C)OCCOCCOC 34a_100000718985_100000695917 [0,2,0,0,0,0|0,0,0]=2 5842 B13R0.66 CCOCC(C)OCCOCCOC 7a_100000718985_100000695917 [0,2,0,0,0,0|0,0,0]=2 5843 B13R0.66 CCOCC(O)CNCOCCOC 2230a_102515437182_100000231047 [0,2,0,0,0,0|2,0,0]=4 5844 B13R0.66 CCOCCOCCC(=O)CCOC 1458a_100000749529_100011211534 [0,2,0,0,0,0|1,0,0]=3 5845 B13R0.66 CCOCCOCCC(=O)CCSC 1458a_100000174002_100011211534 [0,2,0,0,0,0|1,1,0]=4 5846 B13R0.66 CCOCCOCCN(C)CCOC 2230a_100000743101_100011211534 [0,2,0,0,0,0|1,0,0]=3 5847 B13R0.66 CCOCCOCCN(C)CCOC 269982a_100000743101_100011211534 [0,2,0,0,0,0|1,0,0]=3 5848 B13R0.66 CCOCCOCCN(C)CCSC 2230a_100000686725_100011211534 [0,2,0,0,0,0|1,1,0]=4 5849 B13R0.66 CCOCCOCCN(C)CCSC 269982a_100000686725_100011211534 [0,2,0,0,0,0|1,1,0]=4 5850 B13R0.66 CCSCC(C)NCCOCCOC 270004a_100000745349_200011216171 [0,2,0,0,0,0|1,1,0]=4 5851 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [0,2,0,0,0,0|2,0,0]=4 5852 B13R0.66 COCCCCCCN(C)CCOC 2230a_100000743101_100011998445 [0,2,0,0,0,0|2,0,0]=4 5853 B13R0.66 COCCCCCCN(C)CCOC 269982a_100000743101_100011998445 [0,2,0,0,0,0|2,0,0]=4 5854 B13R0.66 COCCCCCNC(=O)CCOC 11a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 5855 B13R0.66 COCCCCCNC(=O)CCOC 1626a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 5856 B13R0.66 COCCCCCNC(=O)CCOC 240690a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 5857 B13R0.66 COCCCCCNC(=O)CCOC 527a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 5858 B13R0.66 COCCCCCNC(C)CCOC 270004a_100000747528_100000742357 [0,2,0,0,0,0|2,0,0]=4 5859 B13R0.66 COCCOCCCC(=O)CCOC 1458a_100000749529_100011216529 [0,2,0,0,0,0|1,0,0]=3 5860 B13R0.66 COCCOCCCC(=O)CCSC 1458a_100000174002_100011216529 [0,2,0,0,0,0|1,1,0]=4 5861 B13R0.66 COCCOCCCN(C)CCOC 2230a_100000743101_100011216529 [0,2,0,0,0,0|1,0,0]=3 5862 B13R0.66 COCCOCCCN(C)CCOC 269982a_100000743101_100011216529 [0,2,0,0,0,0|1,0,0]=3 5863 B13R0.66 COCCOCCCN(C)CCSC 2230a_100000686725_100011216529 [0,2,0,0,0,0|1,1,0]=4 5864 B13R0.66 COCCOCCCN(C)CCSC 269982a_100000686725_100011216529 [0,2,0,0,0,0|1,1,0]=4 5865 B13R0.66 COCCOCCNC(=O)CCOC 11a_100000745349_100000749529 [0,2,0,0,0,0|1,0,0]=3 5866 B13R0.66 COCCOCCNC(=O)CCOC 1626a_100000745349_100000749529 [0,2,0,0,0,0|1,0,0]=3 5867 B13R0.66 COCCOCCNC(=O)CCOC 240690a_100000745349_100000749529 [0,2,0,0,0,0|1,0,0]=3 5868 B13R0.66 COCCOCCNC(=O)CCOC 527a_100000745349_100000749529 [0,2,0,0,0,0|1,0,0]=3 5869 B13R0.66 COCCOCCNC(=O)CCSC 11a_100000745349_100000174002 [0,2,0,0,0,0|1,1,0]=4 5870 B13R0.66 COCCOCCNC(=O)CCSC 1626a_100000745349_100000174002 [0,2,0,0,0,0|1,1,0]=4 5871 B13R0.66 COCCOCCNC(=O)CCSC 240690a_100000745349_100000174002 [0,2,0,0,0,0|1,1,0]=4 5872 B13R0.66 COCCOCCNC(=O)CCSC 527a_100000745349_100000174002 [0,2,0,0,0,0|1,1,0]=4 5873 B13R0.66 COCCOCCNC(C)CCOC 270004a_100000745349_100000742357 [0,2,0,0,0,0|1,0,0]=3 5874 B13R0.66 COCCOCCNC(C)CCSC 270004a_100000745349_100011217047 [0,2,0,0,0,0|1,1,0]=4 5875 B13R0.66 COCCOCCOC(C)CCCCl 34a_200000718107_100000695917 [0,2,0,0,0,0|1,0,0]=3 5876 B13R0.66 COCCOCCOC(C)CCCCl 7a_200000718107_100000695917 [0,2,0,0,0,0|1,0,0]=3 5877 B13R0.87 CCCC(C)OCCOCC(=O)OC 34a_100000764384_100000090808 [0,2,0,0,0,0|1,0,1]=4 5878 B13R0.87 CCCC(C)OCCOCC(=O)OC 7a_100000764384_100000090808 [0,2,0,0,0,0|1,0,1]=4 5879 B13R0.87 COCC(C)OCCCCC(=O)OC 34a_100000059025_100000765312 [0,2,0,0,0,0|1,0,1]=4 5880 B13R0.87 COCC(C)OCCCCC(=O)OC 7a_100000059025_100000765312 [0,2,0,0,0,0|1,0,1]=4 5881 B13R0.87 COCC(C)SCCOCC(=O)OC 62a_100000090808_100000765312 [0,2,0,0,0,0|0,1,1]=4 5882 B13R0.87 COCC(C)SCCOCC(=O)OC 62a_100000765312_100000090808 [0,2,0,0,0,0|0,1,1]=4 5883 B13R0.87 COC[C@@H](C)NCCOCC(=O)OC 2230a_100000764878_100000090808 [0,2,0,0,0,0|1,0,1]=4 5884 B13R0.87 COC[C@@H](C)OCCCCC(=O)OC 34a_100011934205_100000204269 [0,2,0,0,0,0|1,0,1]=4 5885 B13R0.87 COC[C@@H](C)OCCOCC(=O)OC 34a_100011934205_100000090808 [0,2,0,0,0,0|0,0,1]=3 5886 B13R0.88 COCC(C)OCCCCCC(C)C 34a_100011995859_100000765312 [0,2,0,0,0,0|2,0,0]=4 5887 B13R0.88 COCC(C)OCCCCCC(C)C 7a_100011995859_100000765312 [0,2,0,0,0,0|2,0,0]=4 5888 B13R0.88 COC[C@@H](C)OCCCCCC(C)C 34a_100011934205_100000210682 [0,2,0,0,0,0|2,0,0]=4 5889 B13R0.193 C#CCCOC(C)COC(C)COC 34a_200011930013_100000688953 [0,2,0,0,0,0|1,0,1]=4 5890 B13R0.193 C#CCCOC(C)COC(C)COC 7a_200011930013_100000688953 [0,2,0,0,0,0|1,0,1]=4 5891 B13R0.193 C/C=C/COC(C)COC(C)COC 34a_200011930013_100102629194 [0,2,0,0,0,0|1,0,1]=4 5892 B13R0.193 C/C=C/COC(C)COC(C)COC 7a_200011930013_100102629194 [0,2,0,0,0,0|1,0,1]=4 5893 B13R0.193 C=CCCOC(C)COC(C)COC 34a_200011930013_100000754431 [0,2,0,0,0,0|1,0,1]=4 5894 B13R0.193 C=CCCOC(C)COC(C)COC 7a_200011930013_100000754431 [0,2,0,0,0,0|1,0,1]=4 5895 B13R0.193 CC#CCOC(C)COC(C)COC 34a_200011930013_100000748600 [0,2,0,0,0,0|1,0,1]=4 5896 B13R0.193 CC#CCOC(C)COC(C)COC 7a_200011930013_100000748600 [0,2,0,0,0,0|1,0,1]=4 5897 B13R0.193 CC=CCOC(C)COC(C)COC 34a_200011930013_100000070051 [0,2,0,0,0,0|1,0,1]=4 5898 B13R0.193 CC=CCOC(C)COC(C)COC 7a_200011930013_100000070051 [0,2,0,0,0,0|1,0,1]=4 5899 B13R0.193 CCCC(C)OCC(=O)OCCOC 34a_100000764384_200000040189 [0,2,0,0,0,0|1,0,1]=4 5900 B13R0.193 CCCC(C)OCC(=O)OCCOC 7a_100000764384_200000040189 [0,2,0,0,0,0|1,0,1]=4 5901 B13R0.193 CCCCOC(=O)CO[C@H](C)COC 34a_100011934205_100000211628 [0,2,0,0,0,0|1,0,1]=4 5902 B13R0.193 CCCCOC(C)COC(C)COC 34a_200011930013_100000210210 [0,2,0,0,0,0|1,0,0]=3 5903 B13R0.193 CCCCOC(C)COC(C)COC 7a_200011930013_100000210211 [0,2,0,0,0,0|1,0,0]=3 5904 B13R0.193 COCC(C)OCC(C)OCCC#N 7a_200011930013_100000184422 [0,2,0,0,0,0|2,0,0]=4 5905 B13R0.193 COCC(C)OCC(C)OCCCF 34a_200011930013_100011934791 [0,2,0,0,0,0|2,0,0]=4 5906 B13R0.193 COCC(C)OCC(C)OCCCF 7a_200011930013_100011934791 [0,2,0,0,0,0|2,0,0]=4 5907 B13R0.193 COCC(C)OCC(C)OCCCO 34a_200011930013_100000230001 [0,2,0,0,0,0|2,0,0]=4 5908 B13R0.193 COCC(C)OCC(C)OCCCO 7a_200011930013_100011215043 [0,2,0,0,0,0|2,0,0]=4 5909 B13R0.193 COCC(C)OCC(C)OCCSC 34a_200011930013_100000212216 [0,2,0,0,0,0|0,1,0]=3 5910 B13R0.193 COCC(C)OCC(C)OCCSC 7a_200011930013_100000212216 [0,2,0,0,0,0|0,1,0]=3 5911 B13R0.193 COCCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183275 [0,2,0,0,0,0|1,0,1]=4 5912 B13R0.193 COCCOC(=O)CN[C@H](C)COC 2230a_100000764878_200000040189 [0,2,0,0,0,0|1,0,1]=4 5913 B13R0.193 COCCOC(=O)CO[C@H](C)COC 34a_100011934205_200000040189 [0,2,0,0,0,0|0,0,1]=3 5914 B13R0.193 COCCOC(=O)CSC(C)COC 62a_100000765312_200000040189 [0,2,0,0,0,0|0,1,1]=4 5915 B13R0.193 COCCOC(=O)CSC(C)COC 62a_200000040189_100000765312 [0,2,0,0,0,0|0,1,1]=4 5916 B13R0.193 COCCOC(C)COC(C)COC 34a_200011930013_100011201679 [0,2,0,0,0,0|0,0,0]=2 5917 B13R0.193 COCCOC(C)COC(C)COC 7a_200011930013_100000233755 [0,2,0,0,0,0|0,0,0]=2 5918 B13R0.275 CCCC(C)C(=O)CCOCCOC 1458a_100000210906_100000695917 [0,2,0,0,0,0|2,0,0]=4 5919 B13R0.275 CCCC(C)C(=O)CCOCCOC 1458a_100000745395_100000766640 [0,2,0,0,0,0|2,0,0]=4 5920 B13R0.275 CCCCOCCC(=O)C(C)COC 1458a_100000751857_100000743108 [0,2,0,0,0,0|2,0,0]=4 5921 B13R0.275 CCC[C@H](O)C(=O)CCOCCOC 1458a_100009822183_100000695917 [0,2,0,0,0,0|2,0,0]=4 5922 B13R0.275 COCCCCCC(=O)C(C)COC 1458a_100011935119_100000765312 [0,2,0,0,0,0|2,0,0]=4 5923 B13R0.275 COCCOCCC(=O)C(C)COC 1458a_100000745395_100000765312 [0,2,0,0,0,0|1,0,0]=3 5924 B13R0.275 COCCOCCC(=O)C(C)COC 1458a_100000751857_100000695917 [0,2,0,0,0,0|1,0,0]=3 5925 B13R0.275 COCCOCCC(=O)C(C)CSC 1458a_100000753918_100000695917 [0,2,0,0,0,0|1,1,0]=4 5926 B13R0.282 C#CC(CCC)OCCOCCCC 34a_200011217317_100000743108 [0,2,0,0,0,0|2,0,0]=4 5927 B13R0.282 C#CC(CCC)OCCOCCCC 7a_200011217317_100000743108 [0,2,0,0,0,0|2,0,0]=4 5928 B13R0.282 C#CC(CCC)OCCOCCOC 34a_200011217317_100000695917 [0,2,0,0,0,0|1,0,0]=3 5929 B13R0.282 C#CC(CCC)OCCOCCOC 7a_200011217317_100000695917 [0,2,0,0,0,0|1,0,0]=3 5930 B13R0.282 C#CCC(CC)OCCOCCOC 34a_200011217983_100000695917 [0,2,0,0,0,0|1,0,1]=4 5931 B13R0.282 C#CCC(CC)OCCOCCOC 7a_200011217983_100000695917 [0,2,0,0,0,0|1,0,1]=4 5932 B13R0.282 C=CC(CCC)OCCOCCCC 34a_100011216692_100000743108 [0,2,0,0,0,0|2,0,0]=4 5933 B13R0.282 C=CC(CCC)OCCOCCCC 7a_100011216692_100000743108 [0,2,0,0,0,0|2,0,0]=4 5934 B13R0.282 C=CC(CCC)OCCOCCOC 34a_100011216692_100000695917 [0,2,0,0,0,0|1,0,0]=3 5935 B13R0.282 C=CC(CCC)OCCOCCOC 7a_100011216692_100000695917 [0,2,0,0,0,0|1,0,0]=3 5936 B13R0.282 C=CCC(C=C)OCCOCCOC 34a_100000038011_100000695917 [0,2,0,0,0,0|1,0,1]=4 5937 B13R0.282 C=CCC(C=C)OCCOCCOC 7a_100000038011_100000695917 [0,2,0,0,0,0|1,0,1]=4 5938 B13R0.282 CC#CC(CC)OCCOCCOC 34a_200011219922_100000695917 [0,2,0,0,0,0|1,0,1]=4 5939 B13R0.282 CC#CC(CC)OCCOCCOC 7a_200011219922_100000695917 [0,2,0,0,0,0|1,0,1]=4 5940 B13R0.282 CCC(COC)NCCCCCOC 270004a_100000747528_100000757811 [0,2,0,0,0,0|2,0,0]=4 5941 B13R0.282 CCC(COC)NCCOCCOC 2230a_100000757820_100000695917 [0,2,0,0,0,0|1,0,0]=3 5942 B13R0.282 CCC(COC)NCCOCCOC 270004a_100000745349_100000757811 [0,2,0,0,0,0|1,0,0]=3 5943 B13R0.282 CCC(COC)OCCOCCOC 7a_200011214946_100000695917 [0,2,0,0,0,0|0,0,0]=2 5944 B13R0.282 CCCC(C#N)OCCOCCOC 34a_100000686963_100000695917 [0,2,0,0,0,0|1,0,0]=3 5945 B13R0.282 CCCC(C#N)OCCOCCOC 7a_100000686963_100000695917 [0,2,0,0,0,0|1,0,0]=3 5946 B13R0.282 CCCC(CC)NCCOCCOC 2230a_100000747048_100000695917 [0,2,0,0,0,0|2,0,0]=4 5947 B13R0.282 CCCC(CC)NCCOCCOC 270004a_100000745349_100000687865 [0,2,0,0,0,0|2,0,0]=4 5948 B13R0.282 CCCC(CC)OCCOCCOC 34a_100000687864_100000695917 [0,2,0,0,0,0|1,0,0]=3 5949 B13R0.282 CCCC(CC)OCCOCCOC 7a_100000687864_100000695917 [0,2,0,0,0,0|1,0,0]=3 5950 B13R0.282 CCCC(CC)OCCOCCOC 7a_100011215163_100011219200 [0,2,0,0,0,0|1,0,0]=3 5951 B13R0.282 CCCC(CC)SCCOCCOC 62a_100000695917_100011219200 [0,2,0,0,0,0|1,1,0]=4 5952 B13R0.282 CCCC(CC)SCCOCCOC 62a_100011219200_100000695917 [0,2,0,0,0,0|1,1,0]=4 5953 B13R0.282 CCCCCCCOC(CC)COC 7a_200011214946_100000210614 [0,2,0,0,0,0|2,0,0]=4 5954 B13R0.282 CCCCCCCOC(CCl)COC 34a_100011215053_100000210614 [0,2,0,0,0,0|2,0,0]=4 5955 B13R0.282 CCCCCCCOC(CN)COC 34a_100000756049_100000210614 [0,2,0,0,0,0|2,0,0]=4 5956 B13R0.282 CCCCOCCNC(CC)COC 2230a_100000757820_100000743108 [0,2,0,0,0,0|2,0,0]=4 5957 B13R0.282 CCCCOCCNC(CO)COC 2230a_100000724102_100000743108 [0,2,0,0,0,0|2,0,0]=4 5958 B13R0.282 CCCCOCCNC(CO)COC 34a_100000724102_100000743108 [0,2,0,0,0,0|2,0,0]=4 5959 B13R0.282 CCCCOCCOC(C#N)CCC 34a_100000686963_100000743108 [0,2,0,0,0,0|2,0,0]=4 5960 B13R0.282 CCCCOCCOC(C#N)CCC 7a_100000686963_100000743108 [0,2,0,0,0,0|2,0,0]=4 5961 B13R0.282 CCCCOCCOC(CC)CCC 34a_100000687864_100000743108 [0,2,0,0,0,0|2,0,0]=4 5962 B13R0.282 CCCCOCCOC(CC)CCC 7a_100000210238_100011219200 [0,2,0,0,0,0|2,0,0]=4 5963 B13R0.282 CCCCOCCOC(CC)CCC 7a_100000687864_100000743108 [0,2,0,0,0,0|2,0,0]=4 5964 B13R0.282 CCCCOCCOC(CC)COC 7a_200011214946_100000743108 [0,2,0,0,0,0|1,0,0]=3 5965 B13R0.282 CCCCOCCOC(CCl)COC 34a_100011215053_100000743108 [0,2,0,0,0,0|1,0,0]=3 5966 B13R0.282 CCCCOCCOC(CN)COC 34a_100000756049_100000743108 [0,2,0,0,0,0|1,0,0]=3 5967 B13R0.282 CCC[C@@H](CO)NCCOCCOC 2230a_100000732646_100000695917 [0,2,0,0,0,0|2,0,0]=4 5968 B13R0.282 CCC[C@@H](CO)NCCOCCOC 34a_100000732646_100000695917 [0,2,0,0,0,0|2,0,0]=4 5969 B13R0.282 COCCOCCNC(CO)COC 2230a_100000724102_100000695917 [0,2,0,0,0,0|1,0,0]=3 5970 B13R0.282 COCCOCCNC(CO)COC 34a_100000724102_100000695917 [0,2,0,0,0,0|1,0,0]=3 5971 B13R0.282 COCCOCCOC(CCl)COC 34a_100011215053_100000695917 [0,2,0,0,0,0|0,0,0]=2 5972 B13R0.282 COCCOCCOC(CN)COC 34a_100000756049_100000695917 [0,2,0,0,0,0|0,0,0]=2 5973 B13R0.330 CCCCCCC(C)OC(C)COC 34a_100000210265_100000765312 [0,2,0,0,0,0|2,0,0]=4 5974 B13R0.330 CCCCCCC(C)OC(C)COC 7a_100000210265_100000765312 [0,2,0,0,0,0|2,0,0]=4 5975 B13R0.330 CCCCCCC(C)O[C@H](C)COC 34a_100011934205_100011215978 [0,2,0,0,0,0|2,0,0]=4 5976 B13R0.330 CCCCOCC(C)OC(C)CCC 34a_100011217071_100000766640 [0,2,0,0,0,0|2,0,0]=4 5977 B13R0.330 CCCCOCC(C)OC(C)CCC 7a_100011217071_100000766640 [0,2,0,0,0,0|2,0,0]=4 5978 B13R0.330 CCCCOCC(C)OC(C)COC 34a_100011217071_100000765312 [0,2,0,0,0,0|1,0,0]=3 5979 B13R0.330 CCCCOCC(C)OC(C)COC 7a_100011217071_100000765312 [0,2,0,0,0,0|1,0,0]=3 5980 B13R0.330 CCOC(C)O[C@H](C)COCCOC 34a_200015424329_100011201679 [0,2,0,0,0,0|2,0,0]=4 5981 B13R0.330 CCOC(C)O[C@H](C)COCCOC 7a_200015424329_100000233755 [0,2,0,0,0,0|2,0,0]=4 5982 B13R0.330 COCCOCC(=O)N[C@H](C)COC 11a_100000764878_100000211095 [0,2,0,0,0,0|1,0,1]=4 5983 B13R0.330 COCCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000211095 [0,2,0,0,0,0|1,0,1]=4 5984 B13R0.330 COCCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000211095 [0,2,0,0,0,0|1,0,1]=4 5985 B13R0.330 COCCOCC(=O)N[C@H](C)COC 527a_100000764878_100000211095 [0,2,0,0,0,0|1,0,1]=4 5986 B13R0.330 COCCOCN(C)CC(O)COC 2230a_100000739405_100000231047 [0,2,0,0,0,0|2,0,0]=4 5987 B13R0.330 COCCOCN(C)CC(O)COC 269982a_100000739405_100000231047 [0,2,0,0,0,0|2,0,0]=4 5988 B13R0.335 CCCCOCCOC(C)CC(C)C 34a_100000210238_100000731052 [0,2,0,0,0,0|2,0,0]=4 5989 B13R0.335 CCCCOCCOC(C)CC(C)C 34a_100000211805_100000743108 [0,2,0,0,0,0|2,0,0]=4 5990 B13R0.335 CCCCOCCOC(C)CC(C)C 7a_100000210238_100000731052 [0,2,0,0,0,0|2,0,0]=4 5991 B13R0.335 CCCCOCCOC(C)CC(C)C 7a_100000211805_100000743108 [0,2,0,0,0,0|2,0,0]=4 5992 B13R0.335 CNCCOCCOC(C)CC(C)C 34a_100000228057_100000731052 [0,2,0,0,0,0|2,0,0]=4 5993 B13R0.335 COCCOCCNC(C)CC(C)C 2230a_100000692259_100000695917 [0,2,0,0,0,0|2,0,0]=4 5994 B13R0.335 COCCOCCNC(C)CC(C)C 2230a_100000745349_100000731052 [0,2,0,0,0,0|2,0,0]=4 5995 B13R0.335 COCCOCCNC(C)CC(C)C 34a_100000745349_100000731052 [0,2,0,0,0,0|2,0,0]=4 5996 B13R0.335 COCCOCCOC(=O)CC(=O)C 34a_100000210237_100000102702 [0,2,0,0,0,0|1,0,1]=4 5997 B13R0.335 COCCOCCOC(C)C=C(C)C 34a_100000717055_100000695917 [0,2,0,0,0,0|1,0,1]=4 5998 B13R0.335 COCCOCCOC(C)CC(C)C 34a_100000211805_100000695917 [0,2,0,0,0,0|1,0,0]=3 5999 B13R0.335 COCCOCCOC(C)CC(C)C 34a_100011215163_100000731052 [0,2,0,0,0,0|1,0,0]=3 6000 B13R0.335 COCCOCCOC(C)CC(C)C 7a_100000211805_100000695917 [0,2,0,0,0,0|1,0,0]=3 6001 B13R0.335 COCCOCCOC(C)CC(C)C 7a_100011215163_100000731052 [0,2,0,0,0,0|1,0,0]=3 6002 B13R0.335 COCCOCCSC(C)CC(C)C 62a_100000695917_100000731052 [0,2,0,0,0,0|1,1,0]=4 6003 B13R0.335 COCCOCCSC(C)CC(C)C 62a_100000731052_100000695917 [0,2,0,0,0,0|1,1,0]=4 6004 B13R0.335 COCCOCCSC(C)CN(C)C 62a_100000695917_100020606517 [0,2,0,0,0,0|1,1,0]=4 6005 B13R0.335 COCCOCCSC(C)CN(C)C 62a_100020606517_100000695917 [0,2,0,0,0,0|1,1,0]=4 6006 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCOCCOC 34a_100015455354_100000695917 [0,2,0,0,0,0|1,0,1]=4 6007 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCOCCOC 7a_100015455354_100000695917 [0,2,0,0,0,0|1,0,1]=4 6008 B13R0.340 CCC(=O)C(C)OCCOCCOC 7a_100011215163_100000742827 [0,2,0,0,0,0|1,0,1]=4 6009 B13R0.340 CCC(C)C(C)NCCOCCOC 269862a_100000745349_100000210599 [0,2,0,0,0,0|2,0,0]=4 6010 B13R0.340 CCC(C)C(C)NCCOCCOC 270004a_100000745349_100000210599 [0,2,0,0,0,0|2,0,0]=4 6011 B13R0.340 CCC(C)C(C)OCCOCCOC 7a_100011215189_100000695917 [0,2,0,0,0,0|1,0,0]=3 6012 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100000210238_100000211248 [0,2,0,0,0,0|1,0,1]=4 6013 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100011215400_100000743108 [0,2,0,0,0,0|1,0,1]=4 6014 B13R0.340 CCCCOCCOC(C)C(=O)OC 7a_100000210238_100000211248 [0,2,0,0,0,0|1,0,1]=4 6015 B13R0.340 CCCCOCCOC(C)C(C)CC 7a_100011215189_100000743108 [0,2,0,0,0,0|2,0,0]=4 6016 B13R0.340 CNC(=O)C(C)OCCOCCOC 34a_100011215163_100000731044 [0,2,0,0,0,0|1,0,1]=4 6017 B13R0.340 CNC(=O)C(C)OCCOCCOC 7a_100011215163_100000209862 [0,2,0,0,0,0|1,0,1]=4 6018 B13R0.340 CNC(=O)C(F)OCCOCCOC 34a_100011215163_100009813575 [0,2,0,0,0,0|1,0,1]=4 6019 B13R0.340 CNC(=O)C(F)OCCOCCOC 7a_100011215163_100009813575 [0,2,0,0,0,0|1,0,1]=4 6020 B13R0.340 CNCCOCCOC(C)C(=O)OC 34a_100000228057_100000211248 [0,2,0,0,0,0|1,0,1]=4 6021 B13R0.340 COCCOCCCC(=O)C(C)OC 1458a_100000743197_100011216529 [0,2,0,0,0,0|1,0,1]=4 6022 B13R0.340 COCCOCCNC(=O)C(C)OC 11a_100000745349_100000743197 [0,2,0,0,0,0|1,0,1]=4 6023 B13R0.340 COCCOCCNC(=O)C(C)OC 1626a_100000745349_100000743197 [0,2,0,0,0,0|1,0,1]=4 6024 B13R0.340 COCCOCCNC(=O)C(C)OC 240690a_100000745349_100000743197 [0,2,0,0,0,0|1,0,1]=4 6025 B13R0.340 COCCOCCNC(=O)C(C)OC 527a_100000745349_100000743197 [0,2,0,0,0,0|1,0,1]=4 6026 B13R0.340 COCCOCCNC(C)C(=O)OC 2230a_100000745349_100000211248 [0,2,0,0,0,0|1,0,1]=4 6027 B13R0.340 COCCOCCNC(C)C(=O)OC 34a_100000745349_100000211248 [0,2,0,0,0,0|1,0,1]=4 6028 B13R0.340 COCCOCCOC(C)C(=O)OC 34a_100011215163_100000211248 [0,2,0,0,0,0|0,0,1]=3 6029 B13R0.340 COCCOCCOC(C)C(=O)OC 34a_100011215400_100000695917 [0,2,0,0,0,0|0,0,1]=3 6030 B13R0.340 COCCOCCOC(C)C(=O)OC 7a_100011215163_100000211248 [0,2,0,0,0,0|0,0,1]=3 6031 B13R0.340 COCCOCCSC(C)C(=O)OC 62a_100000211248_100000695917 [0,2,0,0,0,0|0,1,1]=4 6032 B13R0.340 COCCOCCSC(C)C(=O)OC 62a_100000695917_100000211248 [0,2,0,0,0,0|0,1,1]=4 6033 B13R0.367 CCCC(C)CCCOC(C)COC 34a_100011713154_100000765312 [0,2,0,0,0,0|2,0,0]=4 6034 B13R0.367 CCCC(C)CCCOC(C)COC 7a_100011713154_100000765312 [0,2,0,0,0,0|2,0,0]=4 6035 B13R0.1338 C=CCC(C)(C)OCCOCCOC 7a_100011995686_100000695917 [0,2,0,0,0,0|1,0,1]=4 6036 B13R0.1338 CCCC(C)(C)OCCOCCOC 7a_100000748436_100000695917 [0,2,0,0,0,0|1,0,0]=3 6037 B13R0.1338 CCCCOCCNC(C)(C)COC 2230a_100000752728_100000743108 [0,2,0,0,0,0|2,0,0]=4 6038 B13R0.1338 CCCCOCCOC(C)(C)CCC 7a_100000748436_100000743108 [0,2,0,0,0,0|2,0,0]=4 6039 B13R0.1338 COCCOCCNC(C)(C)COC 2230a_100000752728_100000695917 [0,2,0,0,0,0|1,0,0]=3 6040 B13R0.1338 COCCOCCNC(C)(C)CSC 2230a_100000759623_100000695917 [0,2,0,0,0,0|1,1,0]=4 6041 B13R0.1338 COCCOCCNC(C)(C)CSC 7a_100000759623_100000695917 [0,2,0,0,0,0|1,1,0]=4 6042 B13R0.1338 COCCOCCOC(C)(C)CCBr 7a_100000702414_100000695917 [0,2,0,0,0,0|2,0,0]=4 6043 B13R0.1338 COCCOCNCC(C)(C)COC 2230a_100000734190_100000231047 [0,2,0,0,0,0|2,0,0]=4 6044 B13R0.54 C#CCCOCCOCCOC(=O)C 34a_100011215631_200000083610 [0,2,0,0,0,0|1,0,1]=4 6045 B13R0.54 C/C=C/COCCOCCOC(=O)C 34a_100016270725_200000083610 [0,2,0,0,0,0|1,0,1]=4 6046 B13R0.54 C=C(Br)CCOCCCOCCOC 34a_100009813270_100011216529 [0,2,0,0,0,0|1,0,1]=4 6047 B13R0.54 C=C(Br)CCOCCOCCOCC 34a_100009813270_100011211534 [0,2,0,0,0,0|1,0,1]=4 6048 B13R0.54 C=C(C)CCNCCCOCCOC 2230a_100000206027_100000730704 [0,2,0,0,0,0|2,0,0]=4 6049 B13R0.54 C=C(C)CCNCCCOCCOC 34a_100000206027_100000730704 [0,2,0,0,0,0|2,0,0]=4 6050 B13R0.54 C=C(C)CCNCCOCCOCC 2230a_100102712874_100000730704 [0,2,0,0,0,0|2,0,0]=4 6051 B13R0.54 C=C(C)CCNCCOCCOCC 34a_100102712874_100000730704 [0,2,0,0,0,0|2,0,0]=4 6052 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|2,0,0]=4 6053 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 6054 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 6055 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 6056 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 6057 B13R0.54 C=C(C)CCOCCCOCCOC 34a_100000764851_100011216529 [0,2,0,0,0,0|1,0,0]=3 6058 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 6059 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 6060 B13R0.54 C=C(C)CCOCCOCCOCC 34a_100000210240_100000730704 [0,2,0,0,0,0|1,0,0]=3 6061 B13R0.54 C=C(C)CCOCCOCCOCC 34a_100000764851_100011211534 [0,2,0,0,0,0|1,0,0]=3 6062 B13R0.54 C=C(C)CCOCCOCCOCC 7a_100000210240_100000730704 [0,2,0,0,0,0|1,0,0]=3 6063 B13R0.54 C=C(C)CCSCCCOCCOC 62a_100000730704_100011216529 [0,2,0,0,0,0|1,1,0]=4 6064 B13R0.54 C=C(C)CCSCCCOCCOC 62a_100011216529_100000730704 [0,2,0,0,0,0|1,1,0]=4 6065 B13R0.54 C=C(C)CCSCCOCCOCC 62a_100000730704_100011211534 [0,2,0,0,0,0|1,1,0]=4 6066 B13R0.54 C=C(C)CCSCCOCCOCC 62a_100011211534_100000730704 [0,2,0,0,0,0|1,1,0]=4 6067 B13R0.54 C=CCCOCCOCCOC(=O)C 34a_100011205117_200000083610 [0,2,0,0,0,0|1,0,1]=4 6068 B13R0.54 C=COCCOCCOCCC(=C)C 34a_100000039918_100000730704 [0,2,0,0,0,0|1,0,1]=4 6069 B13R0.54 C=COCCOCCOCCC(=C)C 7a_100000039918_100000730704 [0,2,0,0,0,0|1,0,1]=4 6070 B13R0.54 C=COCCOCCOCCC(=O)C 7a_100000039918_100000053229 [0,2,0,0,0,0|1,0,1]=4 6071 B13R0.54 C=COCCOCCOCCC(C)C 34a_100000039918_100000210312 [0,2,0,0,0,0|1,0,1]=4 6072 B13R0.54 C=COCCOCCOCCC(C)C 7a_100000039918_100000210626 [0,2,0,0,0,0|1,0,1]=4 6073 B13R0.54 C=COCCOCCOCCC(C)O 34a_100000039918_100012276601 [0,2,0,0,0,0|1,0,1]=4 6074 B13R0.54 C=COCCOCCOCCC(C)O 7a_100000039918_100012276601 [0,2,0,0,0,0|1,0,1]=4 6075 B13R0.54 C=COCCOCCOCCN(C)C 7a_100000039918_100000755713 [0,2,0,0,0,0|1,0,1]=4 6076 B13R0.54 CC#CCOCCOCCOC(=O)C 34a_100000761923_200000083610 [0,2,0,0,0,0|1,0,1]=4 6077 B13R0.54 CC(=O)OCCCCCOCCON 34a_100000700252_100000033007 [0,2,0,0,0,0|2,0,0]=4 6078 B13R0.54 CC(=O)OCCOCCOCCCBr 34a_100011217188_200000083610 [0,2,0,0,0,0|2,0,0]=4 6079 B13R0.54 CC(=O)OCCOCCOCCCCl 34a_100000230001_200000083610 [0,2,0,0,0,0|2,0,0]=4 6080 B13R0.54 CC(=O)OCCOCCOCCCF 34a_100000759539_200000083610 [0,2,0,0,0,0|2,0,0]=4 6081 B13R0.54 CC(=O)OCCOCCOCCCN 34a_100000182051_200000083610 [0,2,0,0,0,0|2,0,0]=4 6082 B13R0.54 CC(=O)OCCOCCOCCON 34a_100000700252_200000083610 [0,2,0,0,0,0|1,0,0]=3 6083 B13R0.54 CC(C)OCCOCCOCCCN 34a_100011996194_100000210206 [0,2,0,0,0,0|2,0,0]=4 6084 B13R0.54 CC(C)OCCOCCOCCO[13CH3] 34a_200000035644_200025704644 [0,2,0,0,0,0|0,0,0]=2 6085 B13R0.54 CC(C)OCCOCCOCCO[13CH3] 7a_200000035644_200025704644 [0,2,0,0,0,0|0,0,0]=2 6086 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,2,0,0,0,0|2,0,0]=4 6087 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,2,0,0,0,0|2,0,0]=4 6088 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000210272_100000211751 [0,2,0,0,0,0|2,0,0]=4 6089 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000211219_100000210614 [0,2,0,0,0,0|2,0,0]=4 6090 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000210272_100000211751 [0,2,0,0,0,0|2,0,0]=4 6091 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000211219_100000210614 [0,2,0,0,0,0|2,0,0]=4 6092 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,2,0,0,0,0|2,0,0]=4 6093 B13R0.54 CCCCCOCCOCCC(C)C 34a_100011215259_100000210312 [0,2,0,0,0,0|2,0,0]=4 6094 B13R0.54 CCCCCOCCOCCC(C)C 7a_100011215259_100000210626 [0,2,0,0,0,0|2,0,0]=4 6095 B13R0.54 CCCCCOCCOCCC(C)O 34a_100011215259_100012276601 [0,2,0,0,0,0|2,0,0]=4 6096 B13R0.54 CCCCCOCCOCCC(C)O 7a_100011215259_100012276601 [0,2,0,0,0,0|2,0,0]=4 6097 B13R0.54 CCCCCOCCOCCN(C)C 7a_100011215259_100000755713 [0,2,0,0,0,0|2,0,0]=4 6098 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,2,0,0,0,0|2,0,0]=4 6099 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,2,0,0,0,0|2,0,0]=4 6100 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,2,0,0,0,0|2,0,0]=4 6101 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,2,0,0,0,0|2,0,0]=4 6102 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,2,0,0,0,0|2,0,0]=4 6103 B13R0.54 CCCCOCCCOCCC(C)C 34a_200011215613_100000210312 [0,2,0,0,0,0|2,0,0]=4 6104 B13R0.54 CCCCOCCCOCCC(C)C 7a_200011215613_100000210626 [0,2,0,0,0,0|2,0,0]=4 6105 B13R0.54 CCCCOCCCOCCC(C)O 34a_200011215613_100012276601 [0,2,0,0,0,0|2,0,0]=4 6106 B13R0.54 CCCCOCCCOCCC(C)O 7a_200011215613_100012276601 [0,2,0,0,0,0|2,0,0]=4 6107 B13R0.54 CCCCOCCCOCCN(C)C 7a_200011215613_100000755713 [0,2,0,0,0,0|2,0,0]=4 6108 B13R0.54 CCCCOCCNCCOC(C)C 2230a_100000701111_100000743108 [0,2,0,0,0,0|2,0,0]=4 6109 B13R0.54 CCCCOCCNCCOC(C)C 34a_100000701111_100000743108 [0,2,0,0,0,0|2,0,0]=4 6110 B13R0.54 CCCCOCCOCCC=C(C)C 34a_100000210238_100011217483 [0,2,0,0,0,0|2,0,0]=4 6111 B13R0.54 CCCCOCCOCCC=C(C)C 7a_100000210238_100011217483 [0,2,0,0,0,0|2,0,0]=4 6112 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,2,0,0,0,0|2,0,0]=4 6113 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,2,0,0,0,0|2,0,0]=4 6114 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,2,0,0,0,0|2,0,0]=4 6115 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,2,0,0,0,0|2,0,0]=4 6116 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210238_100011214892 [0,2,0,0,0,0|2,0,0]=4 6117 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210774_100000743108 [0,2,0,0,0,0|2,0,0]=4 6118 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210238_100011214892 [0,2,0,0,0,0|2,0,0]=4 6119 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210774_100000743108 [0,2,0,0,0,0|2,0,0]=4 6120 B13R0.54 CCCCOCCOCCCC(C)O 34a_100000210238_200000718107 [0,2,0,0,0,0|2,0,0]=4 6121 B13R0.54 CCCCOCCOCCCC(C)O 7a_100000210238_200000718107 [0,2,0,0,0,0|2,0,0]=4 6122 B13R0.54 CCCCOCCOCCCN(C)C 7a_100000210238_100000757444 [0,2,0,0,0,0|2,0,0]=4 6123 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,2,0,0,0,0|2,0,0]=4 6124 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,2,0,0,0,0|2,0,0]=4 6125 B13R0.54 CCCCOCCOCCNC(C)C 34a_100000224655_100000743108 [0,2,0,0,0,0|2,0,0]=4 6126 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,2,0,0,0,0|1,0,0]=3 6127 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,2,0,0,0,0|1,0,0]=3 6128 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,2,0,0,0,0|1,0,0]=3 6129 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,2,0,0,0,0|1,0,0]=3 6130 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,2,0,0,0,0|1,0,1]=4 6131 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,2,0,0,0,0|1,0,1]=4 6132 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,2,0,0,0,0|1,0,1]=4 6133 B13R0.54 CCCCOCCOCCOC(C)C 34a_100000210238_100000211751 [0,2,0,0,0,0|1,0,0]=3 6134 B13R0.54 CCCCOCCOCCOC(C)C 34a_100000211219_100000743108 [0,2,0,0,0,0|1,0,0]=3 6135 B13R0.54 CCCCOCCOCCOC(C)C 34a_100011215186_100000210206 [0,2,0,0,0,0|1,0,0]=3 6136 B13R0.54 CCCCOCCOCCOC(C)C 7a_100000210238_100000211751 [0,2,0,0,0,0|1,0,0]=3 6137 B13R0.54 CCCCOCCOCCOC(C)C 7a_100000211219_100000743108 [0,2,0,0,0,0|1,0,0]=3 6138 B13R0.54 CCCCOCCOCCOC(C)C 7a_100011215186_100000210206 [0,2,0,0,0,0|1,0,0]=3 6139 B13R0.54 CCCCOCCOCCSC(C)C 34a_100000210238_100000730970 [0,2,0,0,0,0|1,1,0]=4 6140 B13R0.54 CCCCOCCOCCSC(C)C 34a_200011212901_100000743108 [0,2,0,0,0,0|1,1,0]=4 6141 B13R0.54 CCCCOCCOCCSC(C)C 7a_100000210238_100000730970 [0,2,0,0,0,0|1,1,0]=4 6142 B13R0.54 CCCCOCCOCCSC(C)C 7a_200011212901_100000743108 [0,2,0,0,0,0|1,1,0]=4 6143 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,2,0,0,0,0|1,1,0]=4 6144 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,2,0,0,0,0|1,1,0]=4 6145 B13R0.54 CCCCOCCSCCOC(C)C 62a_100000211751_100000743108 [0,2,0,0,0,0|1,1,0]=4 6146 B13R0.54 CCCCOCCSCCOC(C)C 62a_100000743108_100000211751 [0,2,0,0,0,0|1,1,0]=4 6147 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,2,0,0,0,0|1,1,0]=4 6148 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,2,0,0,0,0|1,1,0]=4 6149 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,2,0,0,0,0|1,1,0]=4 6150 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,2,0,0,0,0|1,1,0]=4 6151 B13R0.54 CCCCSCCOCCOC(C)C 34a_200000230436_100000211751 [0,2,0,0,0,0|1,1,0]=4 6152 B13R0.54 CCCCSCCOCCOC(C)C 7a_200000230436_100000211751 [0,2,0,0,0,0|1,1,0]=4 6153 B13R0.54 CCOCCOCCCCCC(C)C 34a_100000210136_100000210682 [0,2,0,0,0,0|2,0,0]=4 6154 B13R0.54 CCOCCOCCCCCC(C)C 34a_100011995859_100000210147 [0,2,0,0,0,0|2,0,0]=4 6155 B13R0.54 CCOCCOCCCCCC(C)C 7a_100000210136_100000210682 [0,2,0,0,0,0|2,0,0]=4 6156 B13R0.54 CCOCCOCCCCCC(C)C 7a_100011995859_100011215890 [0,2,0,0,0,0|2,0,0]=4 6157 B13R0.54 CCOCCOCCNCCC(C)C 2230a_100102712874_100000210312 [0,2,0,0,0,0|2,0,0]=4 6158 B13R0.54 CCOCCOCCNCCC(C)C 269862a_100102712874_100000185833 [0,2,0,0,0,0|2,0,0]=4 6159 B13R0.54 CCOCCOCCNCCC(C)C 34a_100102712874_100000210312 [0,2,0,0,0,0|2,0,0]=4 6160 B13R0.54 CCOCCOCCNCCC(C)O 2230a_100102712874_100012276601 [0,2,0,0,0,0|2,0,0]=4 6161 B13R0.54 CCOCCOCCNCCC(C)O 2230a_200000755665_100011211534 [0,2,0,0,0,0|2,0,0]=4 6162 B13R0.54 CCOCCOCCNCCC(C)O 34a_100102712874_100012276601 [0,2,0,0,0,0|2,0,0]=4 6163 B13R0.54 CCOCCOCCOCC=C(C)C 34a_100000210240_100000761012 [0,2,0,0,0,0|1,0,1]=4 6164 B13R0.54 CCOCCOCCOCC=C(C)C 34a_100000753907_100011211534 [0,2,0,0,0,0|1,0,1]=4 6165 B13R0.54 CCOCCOCCOCC=C(C)C 7a_100000210240_100000761012 [0,2,0,0,0,0|1,0,1]=4 6166 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,2,0,0,0,0|1,0,0]=3 6167 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,2,0,0,0,0|1,0,0]=3 6168 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,2,0,0,0,0|1,0,0]=3 6169 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,2,0,0,0,0|2,0,0]=4 6170 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 6171 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,2,0,0,0,0|2,0,0]=4 6172 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 6173 B13R0.54 CCOCCOCCOCCC(C)Br 34a_100009893172_100011211534 [0,2,0,0,0,0|1,0,0]=3 6174 B13R0.54 CCOCCOCCOCCC(C)C 34a_100000210240_100000210312 [0,2,0,0,0,0|1,0,0]=3 6175 B13R0.54 CCOCCOCCOCCC(C)C 34a_100000210254_100011211534 [0,2,0,0,0,0|1,0,0]=3 6176 B13R0.54 CCOCCOCCOCCC(C)C 7a_100000210240_100000210626 [0,2,0,0,0,0|1,0,0]=3 6177 B13R0.54 CCOCCOCCOCCC(C)C 7a_100000210254_100011211534 [0,2,0,0,0,0|1,0,0]=3 6178 B13R0.54 CCOCCOCCOCCC(C)O 34a_100000210240_100012276601 [0,2,0,0,0,0|1,0,0]=3 6179 B13R0.54 CCOCCOCCOCCC(C)O 7a_100000210240_100012276601 [0,2,0,0,0,0|1,0,0]=3 6180 B13R0.54 CCOCCOCCOCCC(F)F 34a_100103093639_100011211534 [0,2,0,0,0,0|2,0,0]=4 6181 B13R0.54 CCOCCOCCOCCN(C)C 7a_100000210240_100000755713 [0,2,0,0,0,0|1,0,0]=3 6182 B13R0.54 CCOCCOCCOCC[C@@H](C)N 34a_100000706166_100011211534 [0,2,0,0,0,0|1,0,0]=3 6183 B13R0.54 CCOCCOCCOCOC(=O)C 34a_100000210240_100009813279 [0,2,0,0,0,0|2,0,0]=4 6184 B13R0.54 CCOCCOCCOCOC(C)C 34a_100000210240_100000709892 [0,2,0,0,0,0|2,0,0]=4 6185 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,2,0,0,0,0|1,1,0]=4 6186 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,2,0,0,0,0|1,1,0]=4 6187 B13R0.54 CCOCCOCCSCCC(C)C 62a_100000210312_100011211534 [0,2,0,0,0,0|1,1,0]=4 6188 B13R0.54 CCOCCOCCSCCC(C)C 62a_100011211534_100000210312 [0,2,0,0,0,0|1,1,0]=4 6189 B13R0.54 CCOCCOCCSCCC(C)O 62a_100011211534_100012276601 [0,2,0,0,0,0|1,1,0]=4 6190 B13R0.54 CCOCCOCCSCCC(C)O 62a_100012276601_100011211534 [0,2,0,0,0,0|1,1,0]=4 6191 B13R0.54 CCOCCOCCSCCN(C)C 62a_100011211534_100000755713 [0,2,0,0,0,0|1,1,0]=4 6192 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,2,0,0,0,0|2,0,0]=4 6193 B13R0.54 CNCCCCCOCCOC(C)C 34a_100000722520_100000211751 [0,2,0,0,0,0|2,0,0]=4 6194 B13R0.54 CNCCOCCOCCC=C(C)C 34a_100000228057_100011217483 [0,2,0,0,0,0|2,0,0]=4 6195 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,2,0,0,0,0|2,0,0]=4 6196 B13R0.54 CNCCOCCOCCCC(C)C 34a_100000228057_100011214892 [0,2,0,0,0,0|2,0,0]=4 6197 B13R0.54 CNCCOCCOCCCC(C)O 34a_100000228057_200000718107 [0,2,0,0,0,0|2,0,0]=4 6198 B13R0.54 CNCCOCCOCCOC(=O)C 34a_100000228057_100009814007 [0,2,0,0,0,0|1,0,0]=3 6199 B13R0.54 CNCCOCCOCCOC(=O)N 34a_100000228057_200011214921 [0,2,0,0,0,0|1,0,1]=4 6200 B13R0.54 CNCCOCCOCCOC(C)C 34a_100000228057_100000211751 [0,2,0,0,0,0|1,0,0]=3 6201 B13R0.54 CNCCOCCOCCOC(C)C 34a_200014138305_100000210206 [0,2,0,0,0,0|1,0,0]=3 6202 B13R0.54 CNCCOCCOCCSC(C)C 34a_100000228057_100000730970 [0,2,0,0,0,0|1,1,0]=4 6203 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|2,0,0]=4 6204 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|2,0,0]=4 6205 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|2,0,0]=4 6206 B13R0.54 COCCCCCCOCCC(C)Br 34a_100009893172_100011998445 [0,2,0,0,0,0|2,0,0]=4 6207 B13R0.54 COCCCCCCOCCC(C)C 34a_100000210254_100011998445 [0,2,0,0,0,0|2,0,0]=4 6208 B13R0.54 COCCCCCCOCCC(C)C 34a_200012092642_100000210312 [0,2,0,0,0,0|2,0,0]=4 6209 B13R0.54 COCCCCCCOCCC(C)C 7a_100000210254_100011998445 [0,2,0,0,0,0|2,0,0]=4 6210 B13R0.54 COCCCCCCOCCC(C)C 7a_200012092642_100000210626 [0,2,0,0,0,0|2,0,0]=4 6211 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,2,0,0,0,0|2,0,0]=4 6212 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,2,0,0,0,0|2,0,0]=4 6213 B13R0.54 COCCCCCCOCCN(C)C 7a_200012092642_100000755713 [0,2,0,0,0,0|2,0,0]=4 6214 B13R0.54 COCCCCCCOCC[C@@H](C)N 34a_100000706166_100011998445 [0,2,0,0,0,0|2,0,0]=4 6215 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,2,0,0,0,0|2,0,0]=4 6216 B13R0.54 COCCCCCNCCOC(C)C 2230a_100000747528_100000211751 [0,2,0,0,0,0|2,0,0]=4 6217 B13R0.54 COCCCCCNCCOC(C)C 34a_100000747528_100000211751 [0,2,0,0,0,0|2,0,0]=4 6218 B13R0.54 COCCCNCOCCOC(=O)C 34a_100150723488_100000076355 [0,2,0,0,0,0|2,0,0]=4 6219 B13R0.54 COCCCOCCCCCC(C)C 34a_100000740835_100000210682 [0,2,0,0,0,0|2,0,0]=4 6220 B13R0.54 COCCCOCCCCCC(C)C 34a_100011995859_100000740836 [0,2,0,0,0,0|2,0,0]=4 6221 B13R0.54 COCCCOCCCCCC(C)C 7a_100011995859_100000740836 [0,2,0,0,0,0|2,0,0]=4 6222 B13R0.54 COCCCOCOCCOC(=O)C 34a_100000740835_100000076355 [0,2,0,0,0,0|2,0,0]=4 6223 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000076355_100000709357 [0,2,0,0,0,0|2,0,0]=4 6224 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000709357_100000076355 [0,2,0,0,0,0|2,0,0]=4 6225 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,2,0,0,0,0|2,0,0]=4 6226 B13R0.54 COCCNCCOCCOC(=O)C 2230a_100000209980_200000083610 [0,2,0,0,0,0|1,0,0]=3 6227 B13R0.54 COCCOCCCCCNC(C)C 34a_100011629493_100011201679 [0,2,0,0,0,0|2,0,0]=4 6228 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,2,0,0,0,0|1,0,0]=3 6229 B13R0.54 COCCOCCCNCCC(C)C 2230a_100000206027_100000210312 [0,2,0,0,0,0|2,0,0]=4 6230 B13R0.54 COCCOCCCNCCC(C)C 269862a_100000206027_100000185833 [0,2,0,0,0,0|2,0,0]=4 6231 B13R0.54 COCCOCCCNCCC(C)C 34a_100000206027_100000210312 [0,2,0,0,0,0|2,0,0]=4 6232 B13R0.54 COCCOCCCNCCC(C)O 2230a_100000206027_100012276601 [0,2,0,0,0,0|2,0,0]=4 6233 B13R0.54 COCCOCCCNCCC(C)O 2230a_200000755665_100011216529 [0,2,0,0,0,0|2,0,0]=4 6234 B13R0.54 COCCOCCCNCCC(C)O 34a_100000206027_100012276601 [0,2,0,0,0,0|2,0,0]=4 6235 B13R0.54 COCCOCCCNCOC(=O)C 34a_100000206027_100009813279 [0,2,0,0,0,0|2,0,0]=4 6236 B13R0.54 COCCOCCCNCOC(C)C 2230a_100000206027_100000709892 [0,2,0,0,0,0|2,0,0]=4 6237 B13R0.54 COCCOCCCNCOC(C)C 34a_100000206027_100000709892 [0,2,0,0,0,0|2,0,0]=4 6238 B13R0.54 COCCOCCCOCC=C(C)C 34a_100000753907_100011216529 [0,2,0,0,0,0|1,0,1]=4 6239 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,2,0,0,0,0|1,0,0]=3 6240 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,2,0,0,0,0|1,0,0]=3 6241 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 6242 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 6243 B13R0.54 COCCOCCCOCCC(C)Br 34a_100009893172_100011216529 [0,2,0,0,0,0|1,0,0]=3 6244 B13R0.54 COCCOCCCOCCC(C)C 34a_100000210254_100011216529 [0,2,0,0,0,0|1,0,0]=3 6245 B13R0.54 COCCOCCCOCCC(C)C 7a_100000210254_100011216529 [0,2,0,0,0,0|1,0,0]=3 6246 B13R0.54 COCCOCCCOCCC(F)F 34a_100103093639_100011216529 [0,2,0,0,0,0|2,0,0]=4 6247 B13R0.54 COCCOCCCOCC[C@@H](C)N 34a_100000706166_100011216529 [0,2,0,0,0,0|1,0,0]=3 6248 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,2,0,0,0,0|1,1,0]=4 6249 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,2,0,0,0,0|1,1,0]=4 6250 B13R0.54 COCCOCCCSCCC(C)C 62a_100000210312_100011216529 [0,2,0,0,0,0|1,1,0]=4 6251 B13R0.54 COCCOCCCSCCC(C)C 62a_100011216529_100000210312 [0,2,0,0,0,0|1,1,0]=4 6252 B13R0.54 COCCOCCCSCCC(C)O 62a_100011216529_100012276601 [0,2,0,0,0,0|1,1,0]=4 6253 B13R0.54 COCCOCCCSCCC(C)O 62a_100012276601_100011216529 [0,2,0,0,0,0|1,1,0]=4 6254 B13R0.54 COCCOCCCSCCN(C)C 62a_100011216529_100000755713 [0,2,0,0,0,0|1,1,0]=4 6255 B13R0.54 COCCOCCCSCOC(=O)C 62a_100000076356_100011216529 [0,2,0,0,0,0|2,0,0]=4 6256 B13R0.54 COCCOCCCSCOC(=O)C 62a_100011216529_100000076356 [0,2,0,0,0,0|2,0,0]=4 6257 B13R0.54 COCCOCCCSCOC(C)C 62a_100000709892_100011216529 [0,2,0,0,0,0|2,0,0]=4 6258 B13R0.54 COCCOCCCSCOC(C)C 62a_100011216529_100000709892 [0,2,0,0,0,0|2,0,0]=4 6259 B13R0.54 COCCOCCNCCC=C(C)C 2230a_100000745349_100011217483 [0,2,0,0,0,0|2,0,0]=4 6260 B13R0.54 COCCOCCNCCC=C(C)C 34a_100000745349_100011217483 [0,2,0,0,0,0|2,0,0]=4 6261 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,2,0,0,0,0|2,0,0]=4 6262 B13R0.54 COCCOCCNCCCC(C)C 2230a_100000745349_100011214892 [0,2,0,0,0,0|2,0,0]=4 6263 B13R0.54 COCCOCCNCCCC(C)C 2230a_200000737386_100000695917 [0,2,0,0,0,0|2,0,0]=4 6264 B13R0.54 COCCOCCNCCCC(C)C 34a_100000745349_100011214892 [0,2,0,0,0,0|2,0,0]=4 6265 B13R0.54 COCCOCCNCCCC(C)C 34a_200000737386_100000695917 [0,2,0,0,0,0|2,0,0]=4 6266 B13R0.54 COCCOCCNCCCC(C)O 2230a_100000745349_200000718107 [0,2,0,0,0,0|2,0,0]=4 6267 B13R0.54 COCCOCCNCCCC(C)O 34a_100000745349_200000718107 [0,2,0,0,0,0|2,0,0]=4 6268 B13R0.54 COCCOCCNCCCS(=O)C 2230a_200000753449_100000695917 [0,2,0,0,0,0|1,1,0]=4 6269 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000209853_100000695917 [0,2,0,0,0,0|2,0,0]=4 6270 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000745349_100000189650 [0,2,0,0,0,0|2,0,0]=4 6271 B13R0.54 COCCOCCNCCOC(=O)C 34a_100000745349_100009814007 [0,2,0,0,0,0|1,0,0]=3 6272 B13R0.54 COCCOCCNCCOC(=O)N 34a_100000745349_200011214921 [0,2,0,0,0,0|1,0,1]=4 6273 B13R0.54 COCCOCCNCCOC(C)C 2230a_100000701111_100000695917 [0,2,0,0,0,0|1,0,0]=3 6274 B13R0.54 COCCOCCNCCOC(C)C 2230a_100000745349_100000211751 [0,2,0,0,0,0|1,0,0]=3 6275 B13R0.54 COCCOCCNCCOC(C)C 34a_100000701111_100000695917 [0,2,0,0,0,0|1,0,0]=3 6276 B13R0.54 COCCOCCNCCOC(C)C 34a_100000745349_100000211751 [0,2,0,0,0,0|1,0,0]=3 6277 B13R0.54 COCCOCCNCCSC(C)C 2230a_100000731138_100000695917 [0,2,0,0,0,0|1,1,0]=4 6278 B13R0.54 COCCOCCNCCSC(C)C 2230a_100000745349_100000730970 [0,2,0,0,0,0|1,1,0]=4 6279 B13R0.54 COCCOCCNCCSC(C)C 34a_100000731138_100000695917 [0,2,0,0,0,0|1,1,0]=4 6280 B13R0.54 COCCOCCNCCSC(C)C 34a_100000745349_100000730970 [0,2,0,0,0,0|1,1,0]=4 6281 B13R0.54 COCCOCCOCCC=C(C)C 34a_100011215163_100011217483 [0,2,0,0,0,0|1,0,0]=3 6282 B13R0.54 COCCOCCOCCC=C(C)C 7a_100011215163_100011217483 [0,2,0,0,0,0|1,0,0]=3 6283 B13R0.54 COCCOCCOCCC=C(F)F 34a_100011215163_200009816681 [0,2,0,0,0,0|1,0,1]=4 6284 B13R0.54 COCCOCCOCCC=C(F)F 7a_100011215163_200009816681 [0,2,0,0,0,0|1,0,1]=4 6285 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,2,0,0,0,0|1,0,0]=3 6286 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,2,0,0,0,0|1,0,0]=3 6287 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,2,0,0,0,0|1,0,0]=3 6288 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,2,0,0,0,0|1,0,0]=3 6289 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,2,0,0,0,0|1,0,1]=4 6290 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,2,0,0,0,0|1,0,1]=4 6291 B13R0.54 COCCOCCOCCCC(C)C 34a_100000210774_100000695917 [0,2,0,0,0,0|1,0,0]=3 6292 B13R0.54 COCCOCCOCCCC(C)C 34a_100011215163_100011214892 [0,2,0,0,0,0|1,0,0]=3 6293 B13R0.54 COCCOCCOCCCC(C)C 7a_100000210774_100000695917 [0,2,0,0,0,0|1,0,0]=3 6294 B13R0.54 COCCOCCOCCCC(C)C 7a_100011215163_100011214892 [0,2,0,0,0,0|1,0,0]=3 6295 B13R0.54 COCCOCCOCCCC(C)O 34a_100011215163_200000718107 [0,2,0,0,0,0|1,0,0]=3 6296 B13R0.54 COCCOCCOCCCC(C)O 7a_100011215163_200000718107 [0,2,0,0,0,0|1,0,0]=3 6297 B13R0.54 COCCOCCOCCCN(C)C 7a_100011215163_100000757444 [0,2,0,0,0,0|1,0,0]=3 6298 B13R0.54 COCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000695917 [0,2,0,0,0,0|2,0,0]=4 6299 B13R0.54 COCCOCCOCCNC(=O)C 1626a_100012028300_100015343762 [0,2,0,0,0,0|1,0,0]=3 6300 B13R0.54 COCCOCCOCCNC(=O)C 240690a_100012028300_100015343762 [0,2,0,0,0,0|1,0,0]=3 6301 B13R0.54 COCCOCCOCCNC(=O)C 34a_100000158858_100000695917 [0,2,0,0,0,0|1,0,0]=3 6302 B13R0.54 COCCOCCOCCNC(=O)C 7a_100011215163_100000189650 [0,2,0,0,0,0|1,0,0]=3 6303 B13R0.54 COCCOCCOCCNC(=O)N 34a_100000181757_100000695917 [0,2,0,0,0,0|1,0,1]=4 6304 B13R0.54 COCCOCCOCCNC(=O)N 7a_100011215163_200000034859 [0,2,0,0,0,0|1,0,1]=4 6305 B13R0.54 COCCOCCOCCNC(C)C 2230a_100012028300_100000210206 [0,2,0,0,0,0|1,0,0]=3 6306 B13R0.54 COCCOCCOCCNC(C)C 2230a_100138425928_100013367474 [0,2,0,0,0,0|1,0,0]=3 6307 B13R0.54 COCCOCCOCCNC(C)C 34a_100000224655_100000695917 [0,2,0,0,0,0|1,0,0]=3 6308 B13R0.54 COCCOCCOCCNC(C)C 34a_100012028300_100000210206 [0,2,0,0,0,0|1,0,0]=3 6309 B13R0.54 COCCOCCOCCNC(C)C 34a_100138425928_100013367474 [0,2,0,0,0,0|1,0,0]=3 6310 B13R0.54 COCCOCCOCCOC(=O)C 34a_100000210237_200000083610 [0,2,0,0,0,0|0,0,0]=2 6311 B13R0.54 COCCOCCOCCOC(=O)C 34a_100011215163_100009814007 [0,2,0,0,0,0|0,0,0]=2 6312 B13R0.54 COCCOCCOCCOC(=O)C 7a_100011215163_100009814007 [0,2,0,0,0,0|0,0,0]=2 6313 B13R0.54 COCCOCCOCCOC(=O)N 34a_100011215163_200011214921 [0,2,0,0,0,0|0,0,1]=3 6314 B13R0.54 COCCOCCOCCOC(=O)N 7a_100000766696_100000695917 [0,2,0,0,0,0|0,0,1]=3 6315 B13R0.54 COCCOCCOCCOC(=O)N 7a_100011215163_200011214921 [0,2,0,0,0,0|0,0,1]=3 6316 B13R0.54 COCCOCCOCCOC(C)C 34a_100000211219_100000695917 [0,2,0,0,0,0|0,0,0]=2 6317 B13R0.54 COCCOCCOCCOC(C)C 34a_100000212225_100013367474 [0,2,0,0,0,0|0,0,0]=2 6318 B13R0.54 COCCOCCOCCOC(C)C 34a_100000688194_100000210206 [0,2,0,0,0,0|0,0,0]=2 6319 B13R0.54 COCCOCCOCCOC(C)C 34a_100011215163_100000211751 [0,2,0,0,0,0|0,0,0]=2 6320 B13R0.54 COCCOCCOCCOC(C)C 34a_200000035644_200000210301 [0,2,0,0,0,0|0,0,0]=2 6321 B13R0.54 COCCOCCOCCOC(C)C 7a_100000211219_100000695917 [0,2,0,0,0,0|0,0,0]=2 6322 B13R0.54 COCCOCCOCCOC(C)C 7a_100000688194_100000210206 [0,2,0,0,0,0|0,0,0]=2 6323 B13R0.54 COCCOCCOCCOC(C)C 7a_100011215163_100000211751 [0,2,0,0,0,0|0,0,0]=2 6324 B13R0.54 COCCOCCOCCOC(C)C 7a_200000035644_200000210301 [0,2,0,0,0,0|0,0,0]=2 6325 B13R0.54 COCCOCCOCCSC(C)C 34a_100011215163_100000730970 [0,2,0,0,0,0|0,1,0]=3 6326 B13R0.54 COCCOCCOCCSC(C)C 34a_200011212901_100000695917 [0,2,0,0,0,0|0,1,0]=3 6327 B13R0.54 COCCOCCOCCSC(C)C 62a_100000210206_100013367474 [0,2,0,0,0,0|0,1,0]=3 6328 B13R0.54 COCCOCCOCCSC(C)C 62a_100013367474_100000210206 [0,2,0,0,0,0|0,1,0]=3 6329 B13R0.54 COCCOCCOCCSC(C)C 7a_100011215163_100000730970 [0,2,0,0,0,0|0,1,0]=3 6330 B13R0.54 COCCOCCOCCSC(C)C 7a_200011212901_100000695917 [0,2,0,0,0,0|0,1,0]=3 6331 B13R0.54 COCCOCCSCCC=C(C)C 62a_100000695917_100011217483 [0,2,0,0,0,0|1,1,0]=4 6332 B13R0.54 COCCOCCSCCC=C(C)C 62a_100011217483_100000695917 [0,2,0,0,0,0|1,1,0]=4 6333 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,2,0,0,0,0|1,1,0]=4 6334 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,2,0,0,0,0|1,1,0]=4 6335 B13R0.54 COCCOCCSCCCC(C)C 62a_100000695917_100011214892 [0,2,0,0,0,0|1,1,0]=4 6336 B13R0.54 COCCOCCSCCCC(C)C 62a_100011214892_100000695917 [0,2,0,0,0,0|1,1,0]=4 6337 B13R0.54 COCCOCCSCCCC(C)O 62a_100000695917_200000718107 [0,2,0,0,0,0|1,1,0]=4 6338 B13R0.54 COCCOCCSCCCC(C)O 62a_200000718107_100000695917 [0,2,0,0,0,0|1,1,0]=4 6339 B13R0.54 COCCOCCSCCCN(C)C 62a_100000695917_100000757444 [0,2,0,0,0,0|1,1,0]=4 6340 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000189650_100000695917 [0,2,0,0,0,0|1,1,0]=4 6341 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000695917_100000189650 [0,2,0,0,0,0|1,1,0]=4 6342 B13R0.54 COCCOCCSCCOC(=O)C 62a_100000695917_100009814007 [0,2,0,0,0,0|0,1,0]=3 6343 B13R0.54 COCCOCCSCCOC(=O)C 62a_100009814007_100000695917 [0,2,0,0,0,0|0,1,0]=3 6344 B13R0.54 COCCOCCSCCOC(=O)N 62a_100000695917_200011214921 [0,2,0,0,0,0|0,1,1]=4 6345 B13R0.54 COCCOCCSCCOC(=O)N 62a_200011214921_100000695917 [0,2,0,0,0,0|0,1,1]=4 6346 B13R0.54 COCCOCCSCCOC(C)C 62a_100000211751_100000695917 [0,2,0,0,0,0|0,1,0]=3 6347 B13R0.54 COCCOCCSCCOC(C)C 62a_100000695917_100000211751 [0,2,0,0,0,0|0,1,0]=3 6348 B13R0.54 COCCOCCSCCSC(C)C 62a_100000695917_100000730970 [0,2,0,0,0,0|0,2,0]=4 6349 B13R0.54 COCCOCCSCCSC(C)C 62a_100000730970_100000695917 [0,2,0,0,0,0|0,2,0]=4 6350 B13R0.54 COCCOCNCCCOC(C)C 2230a_100000737246_100000231047 [0,2,0,0,0,0|2,0,0]=4 6351 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,2,0,0,0,0|2,0,0]=4 6352 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,2,0,0,0,0|2,0,0]=4 6353 B13R0.54 COCCOCSCCCCC(C)C 62a_100000231047_100011216152 [0,2,0,0,0,0|2,0,0]=4 6354 B13R0.54 COCCOCSCCCCC(C)C 62a_100011216152_100000231047 [0,2,0,0,0,0|2,0,0]=4 6355 B13R0.54 COCCOCSCCCCN(C)C 62a_100000231047_100000690147 [0,2,0,0,0,0|2,0,0]=4 6356 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000042594_100000231047 [0,2,0,0,0,0|2,0,0]=4 6357 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000231047_100000042594 [0,2,0,0,0,0|2,0,0]=4 6358 B13R0.54 COCCOCSCCCOC(=S)C 62a_100000231047_200135323944 [0,2,0,0,0,0|2,0,0]=4 6359 B13R0.54 COCCOCSCCCOC(=S)C 62a_200135323944_100000231047 [0,2,0,0,0,0|2,0,0]=4 6360 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,2,0,0,0,0|1,1,0]=4 6361 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,2,0,0,0,0|1,1,0]=4 6362 B13R0.54 COCCSCCOCCOC(=O)C 62a_100000233755_200000083610 [0,2,0,0,0,0|0,1,0]=3 6363 B13R0.54 COCCSCCOCCOC(=O)C 62a_200000083610_100000233755 [0,2,0,0,0,0|0,1,0]=3 6364 B13R0.54 CSCCNCCOCCOC(=O)C 2230a_100020590264_200000083610 [0,2,0,0,0,0|1,1,0]=4 6365 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,2,0,0,0,0|1,1,0]=4 6366 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,2,0,0,0,0|1,1,0]=4 6367 B13R0.54 CSCCOCCOCCOC(=O)C 34a_100000230434_200000083610 [0,2,0,0,0,0|0,1,0]=3 6368 B13R0.54 CSCCOCCOCCOC(=O)C 7a_100000230434_200000083610 [0,2,0,0,0,0|0,1,0]=3 6369 B13R0.54 CSCCSCCOCCOC(=O)C 62a_100000212216_200000083610 [0,2,0,0,0,0|0,2,0]=4 6370 B13R0.54 CSCCSCCOCCOC(=O)C 62a_200000083610_100000751147 [0,2,0,0,0,0|0,2,0]=4 6371 B13R0.147 C#C/C(=C\COCCOCCOC)/C 34a_100016990848_100000695917 [0,2,0,0,0,0|1,0,1]=4 6372 B13R0.147 C#CC(=O)CCOCCOCCOC 1458a_100000211873_100013367474 [0,2,0,0,0,0|1,0,1]=4 6373 B13R0.147 C/C=C/CCOCCOCC(=O)OC 34a_100016278192_100000090808 [0,2,0,0,0,0|1,0,1]=4 6374 B13R0.147 C=CC(=O)CCOCCOCCOC 1458a_100000185746_100013367474 [0,2,0,0,0,0|1,0,1]=4 6375 B13R0.147 C=CC(C)COCCCOCCOC 34a_100011215527_100011216529 [0,2,0,0,0,0|1,0,1]=4 6376 B13R0.147 C=CC(C)COCCCOCCOC 7a_100011215527_100011216529 [0,2,0,0,0,0|1,0,1]=4 6377 B13R0.147 C=CC(C)COCCOCCOCC 34a_100011215527_100011211534 [0,2,0,0,0,0|1,0,1]=4 6378 B13R0.147 C=CC(C)COCCOCCOCC 7a_100011215527_100011211534 [0,2,0,0,0,0|1,0,1]=4 6379 B13R0.147 C=CC(O)COCCOCCOCC 34a_100000210240_100000730141 [0,2,0,0,0,0|1,0,1]=4 6380 B13R0.147 C=CC(O)COCCOCCOCC 7a_100000210240_100000730141 [0,2,0,0,0,0|1,0,1]=4 6381 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000033082_100000090808 [0,2,0,0,0,0|0,0,2]=4 6382 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000039918_100000747449 [0,2,0,0,0,0|0,0,2]=4 6383 B13R0.147 C=COCCOCCOCC(=O)OC 7a_100000039918_100000747449 [0,2,0,0,0,0|0,0,2]=4 6384 B13R0.147 C=COCCOCCOCC(C)CC 34a_100000039918_100000748023 [0,2,0,0,0,0|1,0,1]=4 6385 B13R0.147 C=COCCOCCOCC(C)CC 7a_100000039918_100000748023 [0,2,0,0,0,0|1,0,1]=4 6386 B13R0.147 C=COCCOCCOCC(O)CC 34a_100000039918_100011218378 [0,2,0,0,0,0|1,0,1]=4 6387 B13R0.147 C=COCCOCCOCC(O)CC 7a_100000039918_100011218378 [0,2,0,0,0,0|1,0,1]=4 6388 B13R0.147 C=COCCOCCOC[C@@H](C)CC 34a_100000039918_100009816398 [0,2,0,0,0,0|1,0,1]=4 6389 B13R0.147 C=COCCOCCOC[C@@H](C)CC 7a_100000039918_100009816398 [0,2,0,0,0,0|1,0,1]=4 6390 B13R0.147 C=C[C@H](N)COCCCOCCOC 34a_100016989147_100011216529 [0,2,0,0,0,0|1,0,1]=4 6391 B13R0.147 C=C[C@H](N)COCCOCCOCC 34a_100016989147_100011211534 [0,2,0,0,0,0|1,0,1]=4 6392 B13R0.147 CC#CCCOCCOCC(=O)OC 34a_100000750427_100000090808 [0,2,0,0,0,0|1,0,1]=4 6393 B13R0.147 CCC(=O)CCOCCOCCOC 1458a_100000210414_100013367474 [0,2,0,0,0,0|1,0,0]=3 6394 B13R0.147 CCC(=O)CCOCCOCCOC 1458a_100012278103_100000210202 [0,2,0,0,0,0|1,0,0]=3 6395 B13R0.147 CCC(=O)COCCCOCCOC 34a_100000725409_100011216529 [0,2,0,0,0,0|1,0,1]=4 6396 B13R0.147 CCC(C)CCCCCOCCOC 7a_200000035636_100000233755 [0,2,0,0,0,0|2,0,0]=4 6397 B13R0.147 CCC(C)CCNCCOCCOC 2230a_100020591266_100000695917 [0,2,0,0,0,0|2,0,0]=4 6398 B13R0.147 CCC(C)CCOCCOCCOC 7a_100011215188_100000695917 [0,2,0,0,0,0|1,0,0]=3 6399 B13R0.147 CCC(C)CNCCCOCCOC 2230a_100000206027_100000748023 [0,2,0,0,0,0|2,0,0]=4 6400 B13R0.147 CCC(C)CNCCCOCCOC 2230a_100020588543_100011216529 [0,2,0,0,0,0|2,0,0]=4 6401 B13R0.147 CCC(C)CNCCCOCCOC 270004a_100000206027_100000243153 [0,2,0,0,0,0|2,0,0]=4 6402 B13R0.147 CCC(C)CNCCCOCCOC 34a_100000206027_100000748023 [0,2,0,0,0,0|2,0,0]=4 6403 B13R0.147 CCC(C)COCCCCCCOC 34a_200012092642_100000748023 [0,2,0,0,0,0|2,0,0]=4 6404 B13R0.147 CCC(C)COCCCCCCOC 7a_200012092642_100000748023 [0,2,0,0,0,0|2,0,0]=4 6405 B13R0.147 CCC(C)CSCCCOCCOC 62a_100000748023_100011216529 [0,2,0,0,0,0|1,1,0]=4 6406 B13R0.147 CCC(C)CSCCCOCCOC 62a_100011216529_100000748023 [0,2,0,0,0,0|1,1,0]=4 6407 B13R0.147 CCC(O)CNCCCOCCOC 2230a_100000206027_100011218378 [0,2,0,0,0,0|2,0,0]=4 6408 B13R0.147 CCC(O)CNCCCOCCOC 2230a_100011218483_100011216529 [0,2,0,0,0,0|2,0,0]=4 6409 B13R0.147 CCC(O)CNCCCOCCOC 34a_100000206027_100011218378 [0,2,0,0,0,0|2,0,0]=4 6410 B13R0.147 CCC(O)COCCCCCCOC 34a_200012092642_100011218378 [0,2,0,0,0,0|2,0,0]=4 6411 B13R0.147 CCC(O)COCCCCCCOC 7a_200012092642_100011218378 [0,2,0,0,0,0|2,0,0]=4 6412 B13R0.147 CCC(O)CSCCCOCCOC 62a_100011216529_100011218378 [0,2,0,0,0,0|1,1,0]=4 6413 B13R0.147 CCC(O)CSCCCOCCOC 62a_100011218378_100011216529 [0,2,0,0,0,0|1,1,0]=4 6414 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|2,0,0]=4 6415 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|2,0,0]=4 6416 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|2,0,0]=4 6417 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,2,0,0,0,0|2,0,0]=4 6418 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|1,0,1]=4 6419 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|1,0,1]=4 6420 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|1,0,1]=4 6421 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|1,0,1]=4 6422 B13R0.147 CCCCCOCCOCC(C)CC 34a_100011215259_100000748023 [0,2,0,0,0,0|2,0,0]=4 6423 B13R0.147 CCCCCOCCOCC(C)CC 7a_100011215259_100000748023 [0,2,0,0,0,0|2,0,0]=4 6424 B13R0.147 CCCCCOCCOCC(O)CC 34a_100011215259_100011218378 [0,2,0,0,0,0|2,0,0]=4 6425 B13R0.147 CCCCCOCCOCC(O)CC 7a_100011215259_100011218378 [0,2,0,0,0,0|2,0,0]=4 6426 B13R0.147 CCCCCOCCOC[C@@H](C)CC 34a_100011215259_100009816398 [0,2,0,0,0,0|2,0,0]=4 6427 B13R0.147 CCCCCOCCOC[C@@H](C)CC 7a_100011215259_100009816398 [0,2,0,0,0,0|2,0,0]=4 6428 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|2,0,0]=4 6429 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|2,0,0]=4 6430 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|2,0,0]=4 6431 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|2,0,0]=4 6432 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|1,0,1]=4 6433 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|1,0,1]=4 6434 B13R0.147 CCCCOCCCOCC(C)CC 34a_200011215613_100000748023 [0,2,0,0,0,0|2,0,0]=4 6435 B13R0.147 CCCCOCCCOCC(C)CC 7a_200011215613_100000748023 [0,2,0,0,0,0|2,0,0]=4 6436 B13R0.147 CCCCOCCCOCC(O)CC 34a_200011215613_100011218378 [0,2,0,0,0,0|2,0,0]=4 6437 B13R0.147 CCCCOCCCOCC(O)CC 7a_200011215613_100011218378 [0,2,0,0,0,0|2,0,0]=4 6438 B13R0.147 CCCCOCCCOC[C@@H](C)CC 34a_200011215613_100009816398 [0,2,0,0,0,0|2,0,0]=4 6439 B13R0.147 CCCCOCCCOC[C@@H](C)CC 7a_200011215613_100009816398 [0,2,0,0,0,0|2,0,0]=4 6440 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [0,2,0,0,0,0|2,0,0]=4 6441 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [0,2,0,0,0,0|2,0,0]=4 6442 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [0,2,0,0,0,0|2,0,0]=4 6443 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|1,0,0]=3 6444 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|1,0,0]=3 6445 B13R0.147 CCCCOCCOCCC(C)CC 7a_100011215188_100000743108 [0,2,0,0,0,0|2,0,0]=4 6446 B13R0.147 CCCCOCCOCCC(C)OC 7a_100000764861_100000743108 [0,2,0,0,0,0|1,0,0]=3 6447 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|1,1,0]=4 6448 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|1,1,0]=4 6449 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|1,1,0]=4 6450 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|1,1,0]=4 6451 B13R0.147 CCN(C)CCOCCOCCOC 2230a_100000225621_100013367474 [0,2,0,0,0,0|1,0,0]=3 6452 B13R0.147 CCN(C)CCOCCOCCOC 2230a_200000716983_100000210202 [0,2,0,0,0,0|1,0,0]=3 6453 B13R0.147 CCN(C)CCOCCOCCOC 269982a_100000225621_100013367474 [0,2,0,0,0,0|1,0,0]=3 6454 B13R0.147 CCN(C)CCOCCOCCOC 269982a_200000716983_100000204670 [0,2,0,0,0,0|1,0,0]=3 6455 B13R0.147 CCN(C)CCOCCOCCOC 34a_200000716983_100000210202 [0,2,0,0,0,0|1,0,0]=3 6456 B13R0.147 CCOCCNCCOCC(=O)OC 2230a_102516460346_100000090808 [0,2,0,0,0,0|1,0,1]=4 6457 B13R0.147 CCOCCNCCOCC(=O)OC 34a_102516460346_100000090808 [0,2,0,0,0,0|1,0,1]=4 6458 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,2,0,0,0,0|1,0,1]=4 6459 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,2,0,0,0,0|1,0,1]=4 6460 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,2,0,0,0,0|1,0,1]=4 6461 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,2,0,0,0,0|1,0,1]=4 6462 B13R0.147 CCOCCOCCNCC(=O)OC 2230a_100102712874_100000747449 [0,2,0,0,0,0|1,0,1]=4 6463 B13R0.147 CCOCCOCCNCC(=O)OC 34a_100102712874_100000747449 [0,2,0,0,0,0|1,0,1]=4 6464 B13R0.147 CCOCCOCCNCC(C)CC 2230a_100020588543_100011211534 [0,2,0,0,0,0|2,0,0]=4 6465 B13R0.147 CCOCCOCCNCC(C)CC 2230a_100102712874_100000748023 [0,2,0,0,0,0|2,0,0]=4 6466 B13R0.147 CCOCCOCCNCC(C)CC 270004a_100102712874_100000243153 [0,2,0,0,0,0|2,0,0]=4 6467 B13R0.147 CCOCCOCCNCC(C)CC 34a_100102712874_100000748023 [0,2,0,0,0,0|2,0,0]=4 6468 B13R0.147 CCOCCOCCNCC(O)CC 2230a_100011218483_100011211534 [0,2,0,0,0,0|2,0,0]=4 6469 B13R0.147 CCOCCOCCNCC(O)CC 2230a_100102712874_100011218378 [0,2,0,0,0,0|2,0,0]=4 6470 B13R0.147 CCOCCOCCNCC(O)CC 34a_100102712874_100011218378 [0,2,0,0,0,0|2,0,0]=4 6471 B13R0.147 CCOCCOCCNC[C@@H](C)CC 2230a_100102712874_100009816398 [0,2,0,0,0,0|2,0,0]=4 6472 B13R0.147 CCOCCOCCNC[C@@H](C)CC 34a_100102712874_100009816398 [0,2,0,0,0,0|2,0,0]=4 6473 B13R0.147 CCOCCOCCNC[C@@H](C)OC 2230a_100020591295_100011211534 [0,2,0,0,0,0|1,0,0]=3 6474 B13R0.147 CCOCCOCCOCC(=O)CC 34a_100000725409_100011211534 [0,2,0,0,0,0|1,0,1]=4 6475 B13R0.147 CCOCCOCCOCC(=O)CC 7a_100000210240_100000747405 [0,2,0,0,0,0|1,0,1]=4 6476 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000210240_100000183359 [0,2,0,0,0,0|1,0,1]=4 6477 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000750040_100011211534 [0,2,0,0,0,0|1,0,1]=4 6478 B13R0.147 CCOCCOCCOCC(=O)NC 7a_100000210240_100000183359 [0,2,0,0,0,0|1,0,1]=4 6479 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210136_100000090808 [0,2,0,0,0,0|0,0,1]=3 6480 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210240_100000747449 [0,2,0,0,0,0|0,0,1]=3 6481 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100011023656_100000210202 [0,2,0,0,0,0|0,0,1]=3 6482 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210136_100000090808 [0,2,0,0,0,0|0,0,1]=3 6483 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210240_100000747449 [0,2,0,0,0,0|0,0,1]=3 6484 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100011023656_100000210202 [0,2,0,0,0,0|0,0,1]=3 6485 B13R0.147 CCOCCOCCOCC(C)CC 34a_100000210240_100000748023 [0,2,0,0,0,0|1,0,0]=3 6486 B13R0.147 CCOCCOCCOCC(C)CC 7a_100000210240_100000748023 [0,2,0,0,0,0|1,0,0]=3 6487 B13R0.147 CCOCCOCCOCC(C)CN 34a_100000744482_100011211534 [0,2,0,0,0,0|2,0,0]=4 6488 B13R0.147 CCOCCOCCOCC(C)OC 34a_100000690652_100011211534 [0,2,0,0,0,0|0,0,0]=2 6489 B13R0.147 CCOCCOCCOCC(Cl)CCl 34a_100000033668_100011211534 [0,2,0,0,0,0|2,0,0]=4 6490 B13R0.147 CCOCCOCCOCC(O)CC 34a_100000210240_100011218378 [0,2,0,0,0,0|1,0,0]=3 6491 B13R0.147 CCOCCOCCOCC(O)CC 7a_100000210240_100011218378 [0,2,0,0,0,0|1,0,0]=3 6492 B13R0.147 CCOCCOCCOCC(O)CO 34a_100000210240_100011219619 [0,2,0,0,0,0|2,0,0]=4 6493 B13R0.147 CCOCCOCCOCC(O)CO 7a_100000210240_100011219619 [0,2,0,0,0,0|2,0,0]=4 6494 B13R0.147 CCOCCOCCOC[C@@H](C)CC 34a_100000210240_100009816398 [0,2,0,0,0,0|1,0,0]=3 6495 B13R0.147 CCOCCOCCOC[C@@H](C)CC 7a_100000210240_100009816398 [0,2,0,0,0,0|1,0,0]=3 6496 B13R0.147 CCOCCOCCOC[C@@H](C)CC 7a_100009816381_100011211534 [0,2,0,0,0,0|1,0,0]=3 6497 B13R0.147 CCOCCOCCOC[C@@H](C)CO 34a_100000210240_100000059175 [0,2,0,0,0,0|2,0,0]=4 6498 B13R0.147 CCOCCOCCOC[C@@H](C)CO 7a_100000210240_100000059175 [0,2,0,0,0,0|2,0,0]=4 6499 B13R0.147 CCOCCOCCOC[C@@H](O)CF 34a_100000210240_100015614560 [0,2,0,0,0,0|2,0,0]=4 6500 B13R0.147 CCOCCOCCOC[C@@H](O)CF 7a_100000210240_100015614560 [0,2,0,0,0,0|2,0,0]=4 6501 B13R0.147 CCOCCOCCOC[C@@H](O)CO 34a_100000210240_100009815848 [0,2,0,0,0,0|2,0,0]=4 6502 B13R0.147 CCOCCOCCOC[C@@H](O)CO 7a_100000210240_100009815848 [0,2,0,0,0,0|2,0,0]=4 6503 B13R0.147 CCOCCOCCOC[C@H](F)CN 34a_100015665980_100011211534 [0,2,0,0,0,0|2,0,0]=4 6504 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100000747449_100011211534 [0,2,0,0,0,0|0,1,1]=4 6505 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100011211534_100000747449 [0,2,0,0,0,0|0,1,1]=4 6506 B13R0.147 CCOCCOCCSCC(C)CC 62a_100000748023_100011211534 [0,2,0,0,0,0|1,1,0]=4 6507 B13R0.147 CCOCCOCCSCC(C)CC 62a_100011211534_100000748023 [0,2,0,0,0,0|1,1,0]=4 6508 B13R0.147 CCOCCOCCSCC(O)CC 62a_100011211534_100011218378 [0,2,0,0,0,0|1,1,0]=4 6509 B13R0.147 CCOCCOCCSCC(O)CC 62a_100011218378_100011211534 [0,2,0,0,0,0|1,1,0]=4 6510 B13R0.147 CCOCCOCCSC[C@@H](C)CC 62a_100009816398_100011211534 [0,2,0,0,0,0|1,1,0]=4 6511 B13R0.147 CCOCCOCCSC[C@@H](C)CC 62a_100011211534_100009816398 [0,2,0,0,0,0|1,1,0]=4 6512 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000090808_100011215890 [0,2,0,0,0,0|0,1,1]=4 6513 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000210147_100000090808 [0,2,0,0,0,0|0,1,1]=4 6514 B13R0.147 CCSCCOCCOCC(=O)OC 34a_100000212035_100000090808 [0,2,0,0,0,0|0,1,1]=4 6515 B13R0.147 CCSCCOCCOCC(=O)OC 7a_100000212035_100000090808 [0,2,0,0,0,0|0,1,1]=4 6516 B13R0.147 CC[C@H](C)CNCCCOCCOC 2230a_100000206027_100009816398 [0,2,0,0,0,0|2,0,0]=4 6517 B13R0.147 CC[C@H](C)CNCCCOCCOC 34a_100000206027_100009816398 [0,2,0,0,0,0|2,0,0]=4 6518 B13R0.147 CC[C@H](C)COCCCCCCOC 34a_200012092642_100009816398 [0,2,0,0,0,0|2,0,0]=4 6519 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_100009816381_100011998445 [0,2,0,0,0,0|2,0,0]=4 6520 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_200012092642_100009816398 [0,2,0,0,0,0|2,0,0]=4 6521 B13R0.147 CC[C@H](C)COCCCOCCOC 7a_100009816381_100011216529 [0,2,0,0,0,0|1,0,0]=3 6522 B13R0.147 CC[C@H](C)CSCCCOCCOC 62a_100009816398_100011216529 [0,2,0,0,0,0|1,1,0]=4 6523 B13R0.147 CC[C@H](C)CSCCCOCCOC 62a_100011216529_100009816398 [0,2,0,0,0,0|1,1,0]=4 6524 B13R0.147 CNC(=O)CCNCCOCCOC 2230a_100000738227_100000695917 [0,2,0,0,0,0|2,0,0]=4 6525 B13R0.147 CNC(=O)CCNCCOCCOC 2230a_100000745349_100000737683 [0,2,0,0,0,0|2,0,0]=4 6526 B13R0.147 CNC(=O)CCNCCOCCOC 34a_100000738227_100000695917 [0,2,0,0,0,0|2,0,0]=4 6527 B13R0.147 CNC(=O)CCNCCOCCOC 34a_100000745349_100012179268 [0,2,0,0,0,0|2,0,0]=4 6528 B13R0.147 CNC(=O)CCOCCOCCOC 11a_106832991635_100012278103 [0,2,0,0,0,0|1,0,0]=3 6529 B13R0.147 CNC(=O)CCOCCOCCOC 1626a_100102657272_100012278103 [0,2,0,0,0,0|1,0,0]=3 6530 B13R0.147 CNC(=O)CCOCCOCCOC 240690a_100102657272_100012278103 [0,2,0,0,0,0|1,0,0]=3 6531 B13R0.147 CNC(=O)CCOCCOCCOC 34a_100000754576_100000695917 [0,2,0,0,0,0|1,0,0]=3 6532 B13R0.147 CNC(=O)CCOCCOCCOC 34a_100011215163_100012179268 [0,2,0,0,0,0|1,0,0]=3 6533 B13R0.147 CNC(=O)CCOCCOCCOC 527a_100102657272_100012278103 [0,2,0,0,0,0|1,0,0]=3 6534 B13R0.147 CNC(=O)CCOCCOCCOC 7a_100011215163_100000737683 [0,2,0,0,0,0|1,0,0]=3 6535 B13R0.147 CNC(=O)CCSCCOCCOC 62a_100000695917_100000737683 [0,2,0,0,0,0|1,1,0]=4 6536 B13R0.147 CNC(=O)CCSCCOCCOC 62a_100000737683_100000695917 [0,2,0,0,0,0|1,1,0]=4 6537 B13R0.147 CNC(=O)COCCCOCCOC 34a_100000750040_100011216529 [0,2,0,0,0,0|1,0,1]=4 6538 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|2,0,0]=4 6539 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,2,0,0,0,0|1,0,1]=4 6540 B13R0.147 CNCCOCCOCCC(=O)NC 34a_100000228057_100012179268 [0,2,0,0,0,0|2,0,0]=4 6541 B13R0.147 CNCCOCCOCCC(=O)OC 34a_100000228057_100000742370 [0,2,0,0,0,0|1,0,0]=3 6542 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|2,0,0]=4 6543 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|2,0,0]=4 6544 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,2,0,0,0,0|2,0,0]=4 6545 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|1,1,0]=4 6546 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|1,1,0]=4 6547 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|1,1,0]=4 6548 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|1,1,0]=4 6549 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 34a_100010982084_200025704644 [0,2,0,0,0,0|0,0,0]=2 6550 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 7a_100010982084_200025704644 [0,2,0,0,0,0|0,0,0]=2 6551 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,2,0,0,0,0|1,0,1]=4 6552 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,2,0,0,0,0|1,0,1]=4 6553 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,2,0,0,0,0|1,0,1]=4 6554 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,2,0,0,0,0|1,0,1]=4 6555 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,2,0,0,0,0|1,0,1]=4 6556 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,2,0,0,0,0|1,0,1]=4 6557 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,2,0,0,0,0|1,0,1]=4 6558 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,2,0,0,0,0|0,1,1]=4 6559 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,2,0,0,0,0|0,1,1]=4 6560 B13R0.147 COC(=O)COCCOCCOCF 34a_100011023656_100015361967 [0,2,0,0,0,0|0,0,1]=3 6561 B13R0.147 COC(=O)COCCOCCOCF 7a_100011023656_100015361967 [0,2,0,0,0,0|0,0,1]=3 6562 B13R0.147 COC(C)COCCCCCCCO 34a_100000690652_100000760002 [0,2,0,0,0,0|2,0,0]=4 6563 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|2,0,0]=4 6564 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|2,0,0]=4 6565 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|2,0,0]=4 6566 B13R0.147 COCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011998445 [0,2,0,0,0,0|2,0,0]=4 6567 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|1,0,1]=4 6568 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|1,0,1]=4 6569 B13R0.147 COCCCCCCOCC(C)OC 34a_100000690652_100011998445 [0,2,0,0,0,0|1,0,0]=3 6570 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|2,0,0]=4 6571 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|2,0,0]=4 6572 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,2,0,0,0,0|1,0,1]=4 6573 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|1,0,1]=4 6574 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|1,0,1]=4 6575 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|1,0,1]=4 6576 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,2,0,0,0,0|0,0,1]=3 6577 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,2,0,0,0,0|0,1,1]=4 6578 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,2,0,0,0,0|0,1,1]=4 6579 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|2,0,0]=4 6580 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|1,0,0]=3 6581 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|1,0,0]=3 6582 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|1,0,0]=3 6583 B13R0.147 COCCOCCCNCC(=O)OC 2230a_100000206027_100000747449 [0,2,0,0,0,0|1,0,1]=4 6584 B13R0.147 COCCOCCCNCC(=O)OC 34a_100000206027_100000747449 [0,2,0,0,0,0|1,0,1]=4 6585 B13R0.147 COCCOCCCNC[C@@H](C)OC 2230a_100020591295_100011216529 [0,2,0,0,0,0|1,0,0]=3 6586 B13R0.147 COCCOCCCOCC(C)CN 34a_100000744482_100011216529 [0,2,0,0,0,0|2,0,0]=4 6587 B13R0.147 COCCOCCCOCC(C)OC 34a_100000690652_100011216529 [0,2,0,0,0,0|0,0,0]=2 6588 B13R0.147 COCCOCCCOCC(Cl)CCl 34a_100000033668_100011216529 [0,2,0,0,0,0|2,0,0]=4 6589 B13R0.147 COCCOCCCOC[C@H](F)CN 34a_100015665980_100011216529 [0,2,0,0,0,0|2,0,0]=4 6590 B13R0.147 COCCOCCCSCC(=O)OC 62a_100000747449_100011216529 [0,2,0,0,0,0|0,1,1]=4 6591 B13R0.147 COCCOCCCSCC(=O)OC 62a_100011216529_100000747449 [0,2,0,0,0,0|0,1,1]=4 6592 B13R0.147 COCCOCCNCCC(=O)OC 2230a_100000745349_100000204255 [0,2,0,0,0,0|1,0,0]=3 6593 B13R0.147 COCCOCCNCCC(=O)OC 34a_100000745349_100000742370 [0,2,0,0,0,0|1,0,0]=3 6594 B13R0.147 COCCOCCNCCC(C)CO 2230a_106354213184_100000695917 [0,2,0,0,0,0|2,0,0]=4 6595 B13R0.147 COCCOCCNCCC(C)CO 34a_106354213184_100000695917 [0,2,0,0,0,0|2,0,0]=4 6596 B13R0.147 COCCOCCOCCC(=NO)N 34a_100000749954_100000695917 [0,2,0,0,0,0|2,0,0]=4 6597 B13R0.147 COCCOCCOCCC(=O)CF 1458a_100012278103_100015361967 [0,2,0,0,0,0|1,0,0]=3 6598 B13R0.147 COCCOCCOCCC(=O)CO 1458a_100000210174_100013367474 [0,2,0,0,0,0|1,0,0]=3 6599 B13R0.147 COCCOCCOCCC(=O)OC 34a_100010982084_200000210301 [0,2,0,0,0,0|0,0,0]=2 6600 B13R0.147 COCCOCCOCCC(=O)OC 34a_100011215163_100000742370 [0,2,0,0,0,0|0,0,0]=2 6601 B13R0.147 COCCOCCOCCC(=O)OC 7a_100010982084_200000210301 [0,2,0,0,0,0|0,0,0]=2 6602 B13R0.147 COCCOCCOCCC(=O)OC 7a_100011215163_100000204255 [0,2,0,0,0,0|0,0,0]=2 6603 B13R0.147 COCCOCCOCCC(C)OC 7a_100000764861_100000695917 [0,2,0,0,0,0|0,0,0]=2 6604 B13R0.147 COCCOCCOCCN(C)CF 269982a_200000716983_100015361967 [0,2,0,0,0,0|1,0,0]=3 6605 B13R0.147 COCCOCCOCCN(C)CF 34a_200000716983_100015361967 [0,2,0,0,0,0|1,0,0]=3 6606 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000204255_100000695917 [0,2,0,0,0,0|0,1,0]=3 6607 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000695917_100000204255 [0,2,0,0,0,0|0,1,0]=3 6608 B13R0.147 COCCOCCSCOC(=O)OC 62a_100000695917_100000139417 [0,2,0,0,0,0|0,1,1]=4 6609 B13R0.147 COCCOCSCCCC(=O)OC 62a_100000231047_100011218270 [0,2,0,0,0,0|1,0,1]=4 6610 B13R0.147 COCCOCSCCCC(=O)OC 62a_100011218270_100000231047 [0,2,0,0,0,0|1,0,1]=4 6611 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|1,1,0]=4 6612 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|1,1,0]=4 6613 B13R0.165 C=COCCOC(C)COCCCC 34a_100011217071_100000039644 [0,2,0,0,0,0|1,0,1]=4 6614 B13R0.165 C=COCCOC(C)COCCCC 7a_100011217071_100000039644 [0,2,0,0,0,0|1,0,1]=4 6615 B13R0.165 CCCCCCC(=O)COCCOC 1458a_100000211095_100000210757 [0,2,0,0,0,0|2,0,0]=4 6616 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000210265_100000740836 [0,2,0,0,0,0|2,0,0]=4 6617 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000740835_100011215978 [0,2,0,0,0,0|2,0,0]=4 6618 B13R0.165 CCCCCCC(C)OCCCOC 7a_100000210265_100000740836 [0,2,0,0,0,0|2,0,0]=4 6619 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210136_100011215978 [0,2,0,0,0,0|2,0,0]=4 6620 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210265_100000210147 [0,2,0,0,0,0|2,0,0]=4 6621 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210136_100011215978 [0,2,0,0,0,0|2,0,0]=4 6622 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210265_100011215890 [0,2,0,0,0,0|2,0,0]=4 6623 B13R0.165 CCCCCCN(C)COCCOC 2230a_106256046315_100000231047 [0,2,0,0,0,0|2,0,0]=4 6624 B13R0.165 CCCCCCN(C)COCCOC 269982a_106256046315_100000231047 [0,2,0,0,0,0|2,0,0]=4 6625 B13R0.165 CCCCCOC(C)COCCCC 34a_100011217071_100000718602 [0,2,0,0,0,0|2,0,0]=4 6626 B13R0.165 CCCCCOC(C)COCCCC 7a_100011217071_100000210326 [0,2,0,0,0,0|2,0,0]=4 6627 B13R0.165 CCCCOCC(=O)CCCCOC 1458a_100000757543_100000755781 [0,2,0,0,0,0|2,0,0]=4 6628 B13R0.165 CCCCOCC(=O)COCCCC 1458a_100000757543_100011995733 [0,2,0,0,0,0|2,0,0]=4 6629 B13R0.165 CCCCOCC(=O)COCCOC 1458a_100000211095_100011995733 [0,2,0,0,0,0|1,0,0]=3 6630 B13R0.165 CCCCOCC(=O)OCCOCC 34a_100000210227_200000101388 [0,2,0,0,0,0|1,0,1]=4 6631 B13R0.165 CCCCOCC(=O)OCCOCC 7a_100000210227_200000101388 [0,2,0,0,0,0|1,0,1]=4 6632 B13R0.165 CCCCOCC(C)OCCCCF 34a_100011217071_100000729493 [0,2,0,0,0,0|2,0,0]=4 6633 B13R0.165 CCCCOCC(C)OCCCCF 7a_100011217071_100000729493 [0,2,0,0,0,0|2,0,0]=4 6634 B13R0.165 CCCCOCC(C)OCCCCO 34a_100011217071_100011216708 [0,2,0,0,0,0|2,0,0]=4 6635 B13R0.165 CCCCOCC(C)OCCCCO 7a_100011217071_100000210776 [0,2,0,0,0,0|2,0,0]=4 6636 B13R0.165 CCCCOCC(C)OCCCOC 34a_100011217071_100000740836 [0,2,0,0,0,0|1,0,0]=3 6637 B13R0.165 CCCCOCC(C)OCCCOC 7a_100011217071_100000740836 [0,2,0,0,0,0|1,0,0]=3 6638 B13R0.165 CCCCOCC(C)OCCOCC 34a_100011217071_100000210147 [0,2,0,0,0,0|1,0,0]=3 6639 B13R0.165 CCCCOCC(C)OCCOCC 7a_100011217071_100011215890 [0,2,0,0,0,0|1,0,0]=3 6640 B13R0.165 CCCCOCC(C)OCCSCC 34a_100011217071_100000757381 [0,2,0,0,0,0|1,1,0]=4 6641 B13R0.165 CCCCOCC(C)OCCSCC 7a_100011217071_100000757381 [0,2,0,0,0,0|1,1,0]=4 6642 B13R0.165 CCOCCCC(=O)COCCOC 1458a_100000211095_100012232248 [0,2,0,0,0,0|1,0,1]=4 6643 B13R0.165 CCOCCNC(=O)COCCOC 11a_100011200944_100000211095 [0,2,0,0,0,0|1,0,1]=4 6644 B13R0.165 CCOCCNC(=O)COCCOC 1626a_102516460346_100000211095 [0,2,0,0,0,0|1,0,1]=4 6645 B13R0.165 CCOCCNC(=O)COCCOC 240690a_100011200944_100000211095 [0,2,0,0,0,0|1,0,1]=4 6646 B13R0.165 CCOCCNC(=O)COCCOC 527a_100011200944_100000211095 [0,2,0,0,0,0|1,0,1]=4 6647 B13R0.165 CCOCCOC(=O)CNCCOC 2230a_100000209980_200000101388 [0,2,0,0,0,0|1,0,1]=4 6648 B13R0.165 CCOCCOC(=O)COCCOC 34a_100000210237_200000101388 [0,2,0,0,0,0|0,0,1]=3 6649 B13R0.165 CCOCCOC(=O)COCCON 34a_100000700252_200000101388 [0,2,0,0,0,0|1,0,1]=4 6650 B13R0.165 CCOCCOC(=O)COCCSC 34a_100000230434_200000101388 [0,2,0,0,0,0|0,1,1]=4 6651 B13R0.165 CCOCCOC(=O)COCCSC 7a_100000230434_200000101388 [0,2,0,0,0,0|0,1,1]=4 6652 B13R0.165 CCOCCOC(=O)CSCCOC 62a_100000233755_200000101388 [0,2,0,0,0,0|0,1,1]=4 6653 B13R0.165 CCOCCOC(=O)CSCCOC 62a_200000101388_100000233755 [0,2,0,0,0,0|0,1,1]=4 6654 B13R0.165 COCCCCC(=O)COCCOC 1458a_100000211095_100000755781 [0,2,0,0,0,0|1,0,0]=3 6655 B13R0.165 COCCCNC(=O)COCCOC 1626a_100150723488_100000211095 [0,2,0,0,0,0|1,0,1]=4 6656 B13R0.165 COCCCNC(=O)COCCOC 240690a_100150723488_100000211095 [0,2,0,0,0,0|1,0,1]=4 6657 B13R0.165 COCCCNC(=O)COCCOC 34a_100000210237_100000183178 [0,2,0,0,0,0|1,0,1]=4 6658 B13R0.165 COCCCNC(=O)COCCOC 527a_100150723488_100000211095 [0,2,0,0,0,0|1,0,1]=4 6659 B13R0.165 COCCNNC(=O)COCCOC 22a_100000741390_100000211095 [0,2,0,0,0,0|1,0,1]=4 6660 B13R0.336 C#CCCCCCCCOCCOC 34a_100000054614_100011201679 [0,2,0,0,0,0|2,0,0]=4 6661 B13R0.336 C#CCCCCCCCOCCOC 34a_100000210237_100153394163 [0,2,0,0,0,0|2,0,0]=4 6662 B13R0.336 C#CCCCCCCCOCCOC 7a_100000054614_100000233755 [0,2,0,0,0,0|2,0,0]=4 6663 B13R0.336 C#CCCCCNCCOCCOC 2230a_100000706060_100000695917 [0,2,0,0,0,0|2,0,0]=4 6664 B13R0.336 C#CCCCCNCCOCCOC 2230a_100000745349_100010269958 [0,2,0,0,0,0|2,0,0]=4 6665 B13R0.336 C#CCCCCNCCOCCOC 34a_100000706060_100000695917 [0,2,0,0,0,0|2,0,0]=4 6666 B13R0.336 C#CCCCCNCCOCCOC 34a_100000745349_100010269958 [0,2,0,0,0,0|2,0,0]=4 6667 B13R0.336 C#CCCCCOCCOCCCC 34a_100000210238_100010269958 [0,2,0,0,0,0|2,0,0]=4 6668 B13R0.336 C#CCCCCOCCOCCCC 34a_100000766709_100000743108 [0,2,0,0,0,0|2,0,0]=4 6669 B13R0.336 C#CCCCCOCCOCCCC 7a_100000210238_100010269958 [0,2,0,0,0,0|2,0,0]=4 6670 B13R0.336 C#CCCCCOCCOCCCC 7a_100000766709_100000743108 [0,2,0,0,0,0|2,0,0]=4 6671 B13R0.336 C#CCCCCOCCOCCNC 34a_100000228057_100010269958 [0,2,0,0,0,0|2,0,0]=4 6672 B13R0.336 C#CCCCCOCCOCCOC 34a_100000766709_100000695917 [0,2,0,0,0,0|1,0,0]=3 6673 B13R0.336 C#CCCCCOCCOCCOC 34a_100011215163_100010269958 [0,2,0,0,0,0|1,0,0]=3 6674 B13R0.336 C#CCCCCOCCOCCOC 7a_100000766709_100000695917 [0,2,0,0,0,0|1,0,0]=3 6675 B13R0.336 C#CCCCCOCCOCCOC 7a_100011215163_100010269958 [0,2,0,0,0,0|1,0,0]=3 6676 B13R0.336 C#CCCCCSCCOCCOC 62a_100000695917_100010269958 [0,2,0,0,0,0|1,1,0]=4 6677 B13R0.336 C#CCCCCSCCOCCOC 62a_100010269958_100000695917 [0,2,0,0,0,0|1,1,0]=4 6678 B13R0.336 C#CCCCOCCCOCCOC 34a_100000215630_100011216529 [0,2,0,0,0,0|1,0,1]=4 6679 B13R0.336 C#CCCCOCCCOCCOC 7a_100000215630_100011216529 [0,2,0,0,0,0|1,0,1]=4 6680 B13R0.336 C#CCCCOCCOCCOCC 34a_100000210240_100000695029 [0,2,0,0,0,0|1,0,1]=4 6681 B13R0.336 C#CCCCOCCOCCOCC 34a_100000215630_100011211534 [0,2,0,0,0,0|1,0,1]=4 6682 B13R0.336 C#CCCCOCCOCCOCC 7a_100000210240_100011215417 [0,2,0,0,0,0|1,0,1]=4 6683 B13R0.336 C#CCCCOCCOCCOCC 7a_100000215630_100011211534 [0,2,0,0,0,0|1,0,1]=4 6684 B13R0.336 C#CCCOCCCOCCCOC 34a_200011215475_100000688953 [0,2,0,0,0,0|1,0,1]=4 6685 B13R0.336 C#CCCOCCCOCCCOC 7a_200011215475_100000688953 [0,2,0,0,0,0|1,0,1]=4 6686 B13R0.336 C#CCCOCCOCCOCC#C 34a_100000041007_100000688953 [0,2,0,0,0,0|1,0,1]=4 6687 B13R0.336 C#CCCOCCOCCOCC#C 34a_100011215631_100010408581 [0,2,0,0,0,0|1,0,1]=4 6688 B13R0.336 C#CCCOCCOCCOCC#C 7a_100000041007_100000688953 [0,2,0,0,0,0|1,0,1]=4 6689 B13R0.336 C#CCCOCCOCCOCC=C 34a_100000065479_100000688953 [0,2,0,0,0,0|1,0,1]=4 6690 B13R0.336 C#CCCOCCOCCOCC=C 7a_100000065479_100000688953 [0,2,0,0,0,0|1,0,1]=4 6691 B13R0.336 C#CCCOCCOCCOCCBr 34a_100010132937_100000688953 [0,2,0,0,0,0|1,0,1]=4 6692 B13R0.336 C#CCCOCCOCCOCCBr 7a_100010132937_100000688953 [0,2,0,0,0,0|1,0,1]=4 6693 B13R0.336 C#CCCOCCOCCOCCCl 34a_100000032323_100000688953 [0,2,0,0,0,0|1,0,1]=4 6694 B13R0.336 C#CCCOCCOCCOCCCl 7a_100000032323_100000688953 [0,2,0,0,0,0|1,0,1]=4 6695 B13R0.336 C#CCCOCCOCCOCCN 34a_100011998139_100000688953 [0,2,0,0,0,0|1,0,1]=4 6696 B13R0.336 C#CCCOCCOCCOCCO 34a_100011215631_100000032323 [0,2,0,0,0,0|1,0,1]=4 6697 B13R0.336 C#CCNCCOCCOCCOC 2230a_100012028300_100000038162 [0,2,0,0,0,0|1,0,0]=3 6698 B13R0.336 C#CCNCCOCCOCCOC 34a_100000212058_100013367474 [0,2,0,0,0,0|1,0,0]=3 6699 B13R0.336 C#CCNCCOCCOCCOC 34a_100012028300_100000184674 [0,2,0,0,0,0|1,0,0]=3 6700 B13R0.336 C#CCOCCNCCCCCOC 2230a_100000747528_100010402529 [0,2,0,0,0,0|2,0,0]=4 6701 B13R0.336 C#CCOCCNCCCCCOC 34a_100000747528_100010402529 [0,2,0,0,0,0|2,0,0]=4 6702 B13R0.336 C#CCOCCNCCOCCCC 2230a_100000700922_100000743108 [0,2,0,0,0,0|2,0,0]=4 6703 B13R0.336 C#CCOCCNCCOCCCC 34a_100000700922_100000743108 [0,2,0,0,0,0|2,0,0]=4 6704 B13R0.336 C#CCOCCNCCOCCOC 2230a_100000700922_100000695917 [0,2,0,0,0,0|1,0,0]=3 6705 B13R0.336 C#CCOCCNCCOCCOC 2230a_100000745349_100010402529 [0,2,0,0,0,0|1,0,0]=3 6706 B13R0.336 C#CCOCCNCCOCCOC 34a_100000700922_100000695917 [0,2,0,0,0,0|1,0,0]=3 6707 B13R0.336 C#CCOCCNCCOCCOC 34a_100000745349_100010402529 [0,2,0,0,0,0|1,0,0]=3 6708 B13R0.336 C#CCOCCOCCCCCCC 34a_100000054580_100000210614 [0,2,0,0,0,0|2,0,0]=4 6709 B13R0.336 C#CCOCCOCCCCCCC 34a_100000210272_100010402529 [0,2,0,0,0,0|2,0,0]=4 6710 B13R0.336 C#CCOCCOCCCCCCC 7a_100000054580_100000210614 [0,2,0,0,0,0|2,0,0]=4 6711 B13R0.336 C#CCOCCOCCCCCCC 7a_100000210272_100010402529 [0,2,0,0,0,0|2,0,0]=4 6712 B13R0.336 C#CCOCCOCCCCCNC 34a_100000722520_100010402529 [0,2,0,0,0,0|2,0,0]=4 6713 B13R0.336 C#CCOCCOCCNCCCC 2230a_100000056377_100000210211 [0,2,0,0,0,0|2,0,0]=4 6714 B13R0.336 C#CCOCCOCCNCCCC 2230a_100000102301_100010408581 [0,2,0,0,0,0|2,0,0]=4 6715 B13R0.336 C#CCOCCOCCNCCCC 34a_100000056377_100000210210 [0,2,0,0,0,0|2,0,0]=4 6716 B13R0.336 C#CCOCCOCCNCCCC 7a_106832991798_100010408581 [0,2,0,0,0,0|2,0,0]=4 6717 B13R0.336 C#CCOCCOCCNCCOC 2230a_100000056377_100011201679 [0,2,0,0,0,0|1,0,0]=3 6718 B13R0.336 C#CCOCCOCCNCCOC 2230a_100000209980_100010408581 [0,2,0,0,0,0|1,0,0]=3 6719 B13R0.336 C#CCOCCOCCNCCOC 34a_100000056377_100011201679 [0,2,0,0,0,0|1,0,0]=3 6720 B13R0.336 C#CCOCCOCCNCCSC 2230a_100000056377_100000751147 [0,2,0,0,0,0|1,1,0]=4 6721 B13R0.336 C#CCOCCOCCNCCSC 2230a_100020590264_100010408581 [0,2,0,0,0,0|1,1,0]=4 6722 B13R0.336 C#CCOCCOCCNCCSC 34a_100000056377_100000212216 [0,2,0,0,0,0|1,1,0]=4 6723 B13R0.336 C#CCOCCOCCOC/C=C/C 34a_100000041007_100102629194 [0,2,0,0,0,0|1,0,1]=4 6724 B13R0.336 C#CCOCCOCCOC/C=C/C 34a_100016270725_100010408581 [0,2,0,0,0,0|1,0,1]=4 6725 B13R0.336 C#CCOCCOCCOC/C=C/C 7a_100000041007_100102629194 [0,2,0,0,0,0|1,0,1]=4 6726 B13R0.336 C#CCOCCOCCOCC#CC 34a_100000041007_100000748600 [0,2,0,0,0,0|1,0,1]=4 6727 B13R0.336 C#CCOCCOCCOCC#CC 34a_100000761923_100010408581 [0,2,0,0,0,0|1,0,1]=4 6728 B13R0.336 C#CCOCCOCCOCC#CC 7a_100000041007_100000748600 [0,2,0,0,0,0|1,0,1]=4 6729 B13R0.336 C#CCOCCOCCOCC=CC 34a_100000041007_100000070051 [0,2,0,0,0,0|1,0,1]=4 6730 B13R0.336 C#CCOCCOCCOCC=CC 7a_100000041007_100000070051 [0,2,0,0,0,0|1,0,1]=4 6731 B13R0.336 C#CCOCCOCCOCCC#N 7a_100000041007_100000184422 [0,2,0,0,0,0|2,0,0]=4 6732 B13R0.336 C#CCOCCOCCOCCC=C 34a_100000041007_100000754431 [0,2,0,0,0,0|1,0,1]=4 6733 B13R0.336 C#CCOCCOCCOCCC=C 34a_100011205117_100010408581 [0,2,0,0,0,0|1,0,1]=4 6734 B13R0.336 C#CCOCCOCCOCCC=C 7a_100000041007_100000754431 [0,2,0,0,0,0|1,0,1]=4 6735 B13R0.336 C#CCOCCOCCOCCCBr 34a_100011217188_100010408581 [0,2,0,0,0,0|2,0,0]=4 6736 B13R0.336 C#CCOCCOCCOCCCC 34a_100000041007_100000210210 [0,2,0,0,0,0|1,0,0]=3 6737 B13R0.336 C#CCOCCOCCOCCCC 34a_100000054580_100000743108 [0,2,0,0,0,0|1,0,0]=3 6738 B13R0.336 C#CCOCCOCCOCCCC 34a_100000210227_100010408581 [0,2,0,0,0,0|1,0,0]=3 6739 B13R0.336 C#CCOCCOCCOCCCC 34a_100000210238_100010402529 [0,2,0,0,0,0|1,0,0]=3 6740 B13R0.336 C#CCOCCOCCOCCCC 34a_100011215186_100000184674 [0,2,0,0,0,0|1,0,0]=3 6741 B13R0.336 C#CCOCCOCCOCCCC 7a_100000041007_100000210211 [0,2,0,0,0,0|1,0,0]=3 6742 B13R0.336 C#CCOCCOCCOCCCC 7a_100000054580_100000743108 [0,2,0,0,0,0|1,0,0]=3 6743 B13R0.336 C#CCOCCOCCOCCCC 7a_100000210227_100010408581 [0,2,0,0,0,0|1,0,0]=3 6744 B13R0.336 C#CCOCCOCCOCCCC 7a_100000210238_100010402529 [0,2,0,0,0,0|1,0,0]=3 6745 B13R0.336 C#CCOCCOCCOCCCC 7a_100011215186_100000038162 [0,2,0,0,0,0|1,0,0]=3 6746 B13R0.336 C#CCOCCOCCOCCCCl 34a_100000230001_100010408581 [0,2,0,0,0,0|2,0,0]=4 6747 B13R0.336 C#CCOCCOCCOCCCF 34a_100000041007_100011934791 [0,2,0,0,0,0|2,0,0]=4 6748 B13R0.336 C#CCOCCOCCOCCCF 34a_100000759539_100010408581 [0,2,0,0,0,0|2,0,0]=4 6749 B13R0.336 C#CCOCCOCCOCCCF 7a_100000041007_100011934791 [0,2,0,0,0,0|2,0,0]=4 6750 B13R0.336 C#CCOCCOCCOCCCN 34a_100000182051_100010408581 [0,2,0,0,0,0|2,0,0]=4 6751 B13R0.336 C#CCOCCOCCOCCCN 34a_100011996194_100000184674 [0,2,0,0,0,0|2,0,0]=4 6752 B13R0.336 C#CCOCCOCCOCCCO 34a_100000041007_100000230001 [0,2,0,0,0,0|2,0,0]=4 6753 B13R0.336 C#CCOCCOCCOCCCO 7a_100000041007_100011215043 [0,2,0,0,0,0|2,0,0]=4 6754 B13R0.336 C#CCOCCOCCOCCNC 2230a_100009980927_200000210301 [0,2,0,0,0,0|1,0,0]=3 6755 B13R0.336 C#CCOCCOCCOCCNC 2230a_106832991635_100020624644 [0,2,0,0,0,0|1,0,0]=3 6756 B13R0.336 C#CCOCCOCCOCCNC 34a_100000228057_100010402529 [0,2,0,0,0,0|1,0,0]=3 6757 B13R0.336 C#CCOCCOCCOCCNC 34a_100009980927_200000210301 [0,2,0,0,0,0|1,0,0]=3 6758 B13R0.336 C#CCOCCOCCOCCNC 34a_100102657272_100020624644 [0,2,0,0,0,0|1,0,0]=3 6759 B13R0.336 C#CCOCCOCCOCCNC 34a_200014138305_100000184674 [0,2,0,0,0,0|1,0,0]=3 6760 B13R0.336 C#CCOCCOCCOCCNC 7a_106832991635_100020624644 [0,2,0,0,0,0|1,0,0]=3 6761 B13R0.336 C#CCOCCOCCOCCN[13CH3] 2230a_100009980927_200025704644 [0,2,0,0,0,0|1,0,0]=3 6762 B13R0.336 C#CCOCCOCCOCCN[13CH3] 34a_100009980927_200025704644 [0,2,0,0,0,0|1,0,0]=3 6763 B13R0.336 C#CCOCCOCCOCCOC 34a_100000041007_100011201679 [0,2,0,0,0,0|0,0,0]=2 6764 B13R0.336 C#CCOCCOCCOCCOC 34a_100000054580_100000695917 [0,2,0,0,0,0|0,0,0]=2 6765 B13R0.336 C#CCOCCOCCOCCOC 34a_100000210237_100010408581 [0,2,0,0,0,0|0,0,0]=2 6766 B13R0.336 C#CCOCCOCCOCCOC 34a_100000210247_100013367474 [0,2,0,0,0,0|0,0,0]=2 6767 B13R0.336 C#CCOCCOCCOCCOC 34a_100000688194_100000184674 [0,2,0,0,0,0|0,0,0]=2 6768 B13R0.336 C#CCOCCOCCOCCOC 34a_100009872019_200000210301 [0,2,0,0,0,0|0,0,0]=2 6769 B13R0.336 C#CCOCCOCCOCCOC 34a_100011215163_100010402529 [0,2,0,0,0,0|0,0,0]=2 6770 B13R0.336 C#CCOCCOCCOCCOC 34a_100138415774_100020624644 [0,2,0,0,0,0|0,0,0]=2 6771 B13R0.336 C#CCOCCOCCOCCOC 7a_100000041007_100000233755 [0,2,0,0,0,0|0,0,0]=2 6772 B13R0.336 C#CCOCCOCCOCCOC 7a_100000054580_100000695917 [0,2,0,0,0,0|0,0,0]=2 6773 B13R0.336 C#CCOCCOCCOCCOC 7a_100000688194_100000038162 [0,2,0,0,0,0|0,0,0]=2 6774 B13R0.336 C#CCOCCOCCOCCOC 7a_100009872019_200000210301 [0,2,0,0,0,0|0,0,0]=2 6775 B13R0.336 C#CCOCCOCCOCCOC 7a_100011215163_100010402529 [0,2,0,0,0,0|0,0,0]=2 6776 B13R0.336 C#CCOCCOCCOCCON 34a_100000700252_100010408581 [0,2,0,0,0,0|1,0,0]=3 6777 B13R0.336 C#CCOCCOCCOCCO[13CH3] 34a_100009872019_200025704644 [0,2,0,0,0,0|0,0,0]=2 6778 B13R0.336 C#CCOCCOCCOCCO[13CH3] 7a_100009872019_200025704644 [0,2,0,0,0,0|0,0,0]=2 6779 B13R0.336 C#CCOCCOCCOCCSC 34a_100000041007_100000212216 [0,2,0,0,0,0|0,1,0]=3 6780 B13R0.336 C#CCOCCOCCOCCSC 34a_100000230434_100010408581 [0,2,0,0,0,0|0,1,0]=3 6781 B13R0.336 C#CCOCCOCCOCCSC 62a_100020624644_200000210301 [0,2,0,0,0,0|0,1,0]=3 6782 B13R0.336 C#CCOCCOCCOCCSC 62a_200000210301_100020624644 [0,2,0,0,0,0|0,1,0]=3 6783 B13R0.336 C#CCOCCOCCOCCSC 7a_100000041007_100000212216 [0,2,0,0,0,0|0,1,0]=3 6784 B13R0.336 C#CCOCCOCCOCCSC 7a_100000230434_100010408581 [0,2,0,0,0,0|0,1,0]=3 6785 B13R0.336 C#CCOCCOCCOCCS[13CH3] 62a_100020624644_200025704644 [0,2,0,0,0,0|0,1,0]=3 6786 B13R0.336 C#CCOCCOCCOCCS[13CH3] 62a_200025704644_100020624644 [0,2,0,0,0,0|0,1,0]=3 6787 B13R0.336 C#CCOCCOCCSCCCC 34a_200000230436_100010402529 [0,2,0,0,0,0|1,1,0]=4 6788 B13R0.336 C#CCOCCOCCSCCCC 62a_100000210211_100010408581 [0,2,0,0,0,0|1,1,0]=4 6789 B13R0.336 C#CCOCCOCCSCCCC 62a_100010408581_100000210210 [0,2,0,0,0,0|1,1,0]=4 6790 B13R0.336 C#CCOCCOCCSCCCC 7a_200000230436_100010402529 [0,2,0,0,0,0|1,1,0]=4 6791 B13R0.336 C#CCOCCOCCSCCOC 62a_100000233755_100010408581 [0,2,0,0,0,0|0,1,0]=3 6792 B13R0.336 C#CCOCCOCCSCCOC 62a_100010408581_100000233755 [0,2,0,0,0,0|0,1,0]=3 6793 B13R0.336 C#CCOCCOCCSCCSC 62a_100000212216_100010408581 [0,2,0,0,0,0|0,2,0]=4 6794 B13R0.336 C#CCOCCOCCSCCSC 62a_100010408581_100000751147 [0,2,0,0,0,0|0,2,0]=4 6795 B13R0.336 C#CCOCCSCCOCCCC 62a_100000743108_100010402529 [0,2,0,0,0,0|1,1,0]=4 6796 B13R0.336 C#CCOCCSCCOCCCC 62a_100010402529_100000743108 [0,2,0,0,0,0|1,1,0]=4 6797 B13R0.336 C#CCOCCSCCOCCOC 62a_100000695917_100010402529 [0,2,0,0,0,0|0,1,0]=3 6798 B13R0.336 C#CCOCCSCCOCCOC 62a_100010402529_100000695917 [0,2,0,0,0,0|0,1,0]=3 6799 B13R0.336 C#CCSCCOCCOCCOC 62a_100000038162_100013367474 [0,2,0,0,0,0|0,1,0]=3 6800 B13R0.336 C/C=C/C=C/COCCOCCOC 34a_100016283227_100000695917 [0,2,0,0,0,0|1,0,1]=4 6801 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,2,0,0,0,0|2,0,0]=4 6802 B13R0.336 C/C=C/CCOCCCOCCOC 34a_100016278192_100011216529 [0,2,0,0,0,0|1,0,0]=3 6803 B13R0.336 C/C=C/CCOCCOCCOCC 34a_100016278192_100011211534 [0,2,0,0,0,0|1,0,0]=3 6804 B13R0.336 C/C=C/COCCCOCCCOC 34a_200011215475_100102629194 [0,2,0,0,0,0|1,0,1]=4 6805 B13R0.336 C/C=C/COCCCOCCCOC 7a_200011215475_100102629194 [0,2,0,0,0,0|1,0,1]=4 6806 B13R0.336 C/C=C/COCCOCCOCCBr 34a_100010132937_100102629194 [0,2,0,0,0,0|1,0,1]=4 6807 B13R0.336 C/C=C/COCCOCCOCCBr 7a_100010132937_100102629194 [0,2,0,0,0,0|1,0,1]=4 6808 B13R0.336 C/C=C/COCCOCCOCCCl 34a_100000032323_100102629194 [0,2,0,0,0,0|1,0,1]=4 6809 B13R0.336 C/C=C/COCCOCCOCCCl 7a_100000032323_100102629194 [0,2,0,0,0,0|1,0,1]=4 6810 B13R0.336 C/C=C/COCCOCCOCCN 34a_100011998139_100102629194 [0,2,0,0,0,0|1,0,1]=4 6811 B13R0.336 C/C=C/COCCOCCOCCO 34a_100016270725_100000032323 [0,2,0,0,0,0|1,0,1]=4 6812 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,2,0,0,0,0|2,0,0]=4 6813 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,2,0,0,0,0|2,0,0]=4 6814 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,2,0,0,0,0|2,0,0]=4 6815 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000703577_100000695917 [0,2,0,0,0,0|2,0,0]=4 6816 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000745349_100011215482 [0,2,0,0,0,0|2,0,0]=4 6817 B13R0.336 C=CCCCCNCCOCCOC 34a_100000703577_100000695917 [0,2,0,0,0,0|2,0,0]=4 6818 B13R0.336 C=CCCCCNCCOCCOC 34a_100000745349_100011215482 [0,2,0,0,0,0|2,0,0]=4 6819 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,2,0,0,0,0|2,0,0]=4 6820 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,2,0,0,0,0|2,0,0]=4 6821 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,2,0,0,0,0|2,0,0]=4 6822 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,2,0,0,0,0|2,0,0]=4 6823 B13R0.336 C=CCCCCOCCOCCNC 34a_100000228057_100011215482 [0,2,0,0,0,0|2,0,0]=4 6824 B13R0.336 C=CCCCCOCCOCCOC 34a_100000766645_100000695917 [0,2,0,0,0,0|1,0,0]=3 6825 B13R0.336 C=CCCCCOCCOCCOC 34a_100011215163_100011215482 [0,2,0,0,0,0|1,0,0]=3 6826 B13R0.336 C=CCCCCOCCOCCOC 7a_100000766645_100000695917 [0,2,0,0,0,0|1,0,0]=3 6827 B13R0.336 C=CCCCCOCCOCCOC 7a_100011215163_100011215482 [0,2,0,0,0,0|1,0,0]=3 6828 B13R0.336 C=CCCCCSCCOCCOC 62a_100000695917_100011215482 [0,2,0,0,0,0|1,1,0]=4 6829 B13R0.336 C=CCCCCSCCOCCOC 62a_100011215482_100000695917 [0,2,0,0,0,0|1,1,0]=4 6830 B13R0.336 C=CCCCOCCCOCCOC 34a_100000758997_100011216529 [0,2,0,0,0,0|1,0,1]=4 6831 B13R0.336 C=CCCCOCCCOCCOC 7a_100000758997_100011216529 [0,2,0,0,0,0|1,0,1]=4 6832 B13R0.336 C=CCCCOCCOCCOCC 34a_100000210240_100000757094 [0,2,0,0,0,0|1,0,1]=4 6833 B13R0.336 C=CCCCOCCOCCOCC 34a_100000758997_100011211534 [0,2,0,0,0,0|1,0,1]=4 6834 B13R0.336 C=CCCCOCCOCCOCC 7a_100000210240_100000757094 [0,2,0,0,0,0|1,0,1]=4 6835 B13R0.336 C=CCCCOCCOCCOCC 7a_100000758997_100011211534 [0,2,0,0,0,0|1,0,1]=4 6836 B13R0.336 C=CCCOCCCOCCCOC 34a_200011215475_100000754431 [0,2,0,0,0,0|1,0,1]=4 6837 B13R0.336 C=CCCOCCCOCCCOC 7a_200011215475_100000754431 [0,2,0,0,0,0|1,0,1]=4 6838 B13R0.336 C=CCCOCCOCCOCC=C 34a_100000065479_100000754431 [0,2,0,0,0,0|1,0,1]=4 6839 B13R0.336 C=CCCOCCOCCOCC=C 7a_100000065479_100000754431 [0,2,0,0,0,0|1,0,1]=4 6840 B13R0.336 C=CCCOCCOCCOCCBr 34a_100010132937_100000754431 [0,2,0,0,0,0|1,0,1]=4 6841 B13R0.336 C=CCCOCCOCCOCCBr 7a_100010132937_100000754431 [0,2,0,0,0,0|1,0,1]=4 6842 B13R0.336 C=CCCOCCOCCOCCCl 34a_100000032323_100000754431 [0,2,0,0,0,0|1,0,1]=4 6843 B13R0.336 C=CCCOCCOCCOCCCl 7a_100000032323_100000754431 [0,2,0,0,0,0|1,0,1]=4 6844 B13R0.336 C=CCCOCCOCCOCCN 34a_100011998139_100000754431 [0,2,0,0,0,0|1,0,1]=4 6845 B13R0.336 C=CCCOCCOCCOCCO 34a_100011205117_100000032323 [0,2,0,0,0,0|1,0,1]=4 6846 B13R0.336 C=CCNCCOCCOCCOC 2230a_100012028300_100000210623 [0,2,0,0,0,0|1,0,0]=3 6847 B13R0.336 C=CCNCCOCCOCCOC 2230a_100020586998_100013367474 [0,2,0,0,0,0|1,0,0]=3 6848 B13R0.336 C=CCNCCOCCOCCOC 34a_100012028300_100015514636 [0,2,0,0,0,0|1,0,0]=3 6849 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,2,0,0,0,0|2,0,0]=4 6850 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,2,0,0,0,0|2,0,0]=4 6851 B13R0.336 C=CCOCCOCCOC/C=C/C 34a_100000065479_100102629194 [0,2,0,0,0,0|1,0,1]=4 6852 B13R0.336 C=CCOCCOCCOC/C=C/C 7a_100000065479_100102629194 [0,2,0,0,0,0|1,0,1]=4 6853 B13R0.336 C=CCOCCOCCOCC#CC 34a_100000065479_100000748600 [0,2,0,0,0,0|1,0,1]=4 6854 B13R0.336 C=CCOCCOCCOCC#CC 7a_100000065479_100000748600 [0,2,0,0,0,0|1,0,1]=4 6855 B13R0.336 C=CCOCCOCCOCC=CC 34a_100000065479_100000070051 [0,2,0,0,0,0|1,0,1]=4 6856 B13R0.336 C=CCOCCOCCOCC=CC 7a_100000065479_100000070051 [0,2,0,0,0,0|1,0,1]=4 6857 B13R0.336 C=CCOCCOCCOCCC#N 7a_100000065479_100000184422 [0,2,0,0,0,0|2,0,0]=4 6858 B13R0.336 C=CCOCCOCCOCCCC 34a_100000037705_100000743108 [0,2,0,0,0,0|1,0,0]=3 6859 B13R0.336 C=CCOCCOCCOCCCC 34a_100000065479_100000210210 [0,2,0,0,0,0|1,0,0]=3 6860 B13R0.336 C=CCOCCOCCOCCCC 34a_100011215186_100015514636 [0,2,0,0,0,0|1,0,0]=3 6861 B13R0.336 C=CCOCCOCCOCCCC 7a_100000037705_100000743108 [0,2,0,0,0,0|1,0,0]=3 6862 B13R0.336 C=CCOCCOCCOCCCC 7a_100000065479_100000210211 [0,2,0,0,0,0|1,0,0]=3 6863 B13R0.336 C=CCOCCOCCOCCCC 7a_100011215186_100015514636 [0,2,0,0,0,0|1,0,0]=3 6864 B13R0.336 C=CCOCCOCCOCCCF 34a_100000065479_100011934791 [0,2,0,0,0,0|2,0,0]=4 6865 B13R0.336 C=CCOCCOCCOCCCF 7a_100000065479_100011934791 [0,2,0,0,0,0|2,0,0]=4 6866 B13R0.336 C=CCOCCOCCOCCCN 34a_100011996194_100015514636 [0,2,0,0,0,0|2,0,0]=4 6867 B13R0.336 C=CCOCCOCCOCCCO 34a_100000065479_100000230001 [0,2,0,0,0,0|2,0,0]=4 6868 B13R0.336 C=CCOCCOCCOCCCO 7a_100000065479_100011215043 [0,2,0,0,0,0|2,0,0]=4 6869 B13R0.336 C=CCOCCOCCOCCNC 34a_200014138305_100015514636 [0,2,0,0,0,0|1,0,0]=3 6870 B13R0.336 C=CCOCCOCCOCCOC 34a_100000037705_100000695917 [0,2,0,0,0,0|0,0,0]=2 6871 B13R0.336 C=CCOCCOCCOCCOC 34a_100000065479_100011201679 [0,2,0,0,0,0|0,0,0]=2 6872 B13R0.336 C=CCOCCOCCOCCOC 34a_100000688194_100015514636 [0,2,0,0,0,0|0,0,0]=2 6873 B13R0.336 C=CCOCCOCCOCCOC 34a_200000210373_100013367474 [0,2,0,0,0,0|0,0,0]=2 6874 B13R0.336 C=CCOCCOCCOCCOC 7a_100000037705_100000695917 [0,2,0,0,0,0|0,0,0]=2 6875 B13R0.336 C=CCOCCOCCOCCOC 7a_100000065479_100000233755 [0,2,0,0,0,0|0,0,0]=2 6876 B13R0.336 C=CCOCCOCCOCCOC 7a_100000688194_100015514636 [0,2,0,0,0,0|0,0,0]=2 6877 B13R0.336 C=CCOCCOCCOCCSC 34a_100000065479_100000212216 [0,2,0,0,0,0|0,1,0]=3 6878 B13R0.336 C=CCOCCOCCOCCSC 7a_100000065479_100000212216 [0,2,0,0,0,0|0,1,0]=3 6879 B13R0.336 C=CCSCCOCCOCCOC 62a_100000210623_100013367474 [0,2,0,0,0,0|0,1,0]=3 6880 B13R0.336 C=CCSCCOCCOCCOC 62a_100013367474_100000210623 [0,2,0,0,0,0|0,1,0]=3 6881 B13R0.336 C=COCCCNCCOCCOC 2230a_100000210767_100000695917 [0,2,0,0,0,0|1,0,1]=4 6882 B13R0.336 C=COCCCNCCOCCOC 34a_100000210767_100000695917 [0,2,0,0,0,0|1,0,1]=4 6883 B13R0.336 C=COCCNCCCOCCOC 2230a_100000206027_100000039644 [0,2,0,0,0,0|1,0,1]=4 6884 B13R0.336 C=COCCNCCCOCCOC 34a_100000206027_100000039644 [0,2,0,0,0,0|1,0,1]=4 6885 B13R0.336 C=COCCNCCOCCOCC 2230a_100102712874_100000039644 [0,2,0,0,0,0|1,0,1]=4 6886 B13R0.336 C=COCCNCCOCCOCC 34a_100102712874_100000039644 [0,2,0,0,0,0|1,0,1]=4 6887 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,2,0,0,0,0|1,0,1]=4 6888 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,2,0,0,0,0|1,0,1]=4 6889 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,2,0,0,0,0|1,0,1]=4 6890 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [0,2,0,0,0,0|1,0,1]=4 6891 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [0,2,0,0,0,0|1,0,1]=4 6892 B13R0.336 C=COCCOCCCOCCOC 34a_100000033082_100011216529 [0,2,0,0,0,0|0,0,1]=3 6893 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [0,2,0,0,0,0|1,0,1]=4 6894 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [0,2,0,0,0,0|1,0,1]=4 6895 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [0,2,0,0,0,0|1,0,1]=4 6896 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [0,2,0,0,0,0|1,0,1]=4 6897 B13R0.336 C=COCCOCCOCCCCF 34a_100000039918_100000729493 [0,2,0,0,0,0|1,0,1]=4 6898 B13R0.336 C=COCCOCCOCCCCF 7a_100000039918_100000729493 [0,2,0,0,0,0|1,0,1]=4 6899 B13R0.336 C=COCCOCCOCCCCO 34a_100000039918_100011216708 [0,2,0,0,0,0|1,0,1]=4 6900 B13R0.336 C=COCCOCCOCCCCO 7a_100000039918_100000210776 [0,2,0,0,0,0|1,0,1]=4 6901 B13R0.336 C=COCCOCCOCCCOC 34a_100000039918_100000740836 [0,2,0,0,0,0|0,0,1]=3 6902 B13R0.336 C=COCCOCCOCCCOC 7a_100000039918_100000740836 [0,2,0,0,0,0|0,0,1]=3 6903 B13R0.336 C=COCCOCCOCCOC=C 34a_100000039918_100000039644 [0,2,0,0,0,0|0,0,2]=4 6904 B13R0.336 C=COCCOCCOCCOC=C 7a_100000039918_100000039644 [0,2,0,0,0,0|0,0,2]=4 6905 B13R0.336 C=COCCOCCOCCOCC 34a_100000033082_100011211534 [0,2,0,0,0,0|0,0,1]=3 6906 B13R0.336 C=COCCOCCOCCOCC 34a_100000039918_100000210147 [0,2,0,0,0,0|0,0,1]=3 6907 B13R0.336 C=COCCOCCOCCOCC 34a_100000210240_100000039644 [0,2,0,0,0,0|0,0,1]=3 6908 B13R0.336 C=COCCOCCOCCOCC 7a_100000039918_100011215890 [0,2,0,0,0,0|0,0,1]=3 6909 B13R0.336 C=COCCOCCOCCOCC 7a_100000210240_100000039644 [0,2,0,0,0,0|0,0,1]=3 6910 B13R0.336 C=COCCOCCOCCSCC 34a_100000039918_100000757381 [0,2,0,0,0,0|0,1,1]=4 6911 B13R0.336 C=COCCOCCOCCSCC 7a_100000039918_100000757381 [0,2,0,0,0,0|0,1,1]=4 6912 B13R0.336 C=COCCSCCCOCCOC 62a_100000039644_100011216529 [0,2,0,0,0,0|0,1,1]=4 6913 B13R0.336 C=COCCSCCCOCCOC 62a_100011216529_100000039644 [0,2,0,0,0,0|0,1,1]=4 6914 B13R0.336 C=COCCSCCOCCOCC 62a_100000039644_100011211534 [0,2,0,0,0,0|0,1,1]=4 6915 B13R0.336 C=COCCSCCOCCOCC 62a_100011211534_100000039644 [0,2,0,0,0,0|0,1,1]=4 6916 B13R0.336 CC#CCCOCCCCCCOC 34a_100000750427_100011998445 [0,2,0,0,0,0|2,0,0]=4 6917 B13R0.336 CC#CCCOCCCOCCOC 34a_100000750427_100011216529 [0,2,0,0,0,0|1,0,0]=3 6918 B13R0.336 CC#CCCOCCOCCOCC 34a_100000750427_100011211534 [0,2,0,0,0,0|1,0,0]=3 6919 B13R0.336 CC#CCOCCCOCCCOC 34a_200011215475_100000748600 [0,2,0,0,0,0|1,0,1]=4 6920 B13R0.336 CC#CCOCCCOCCCOC 7a_200011215475_100000748600 [0,2,0,0,0,0|1,0,1]=4 6921 B13R0.336 CC#CCOCCOCCOCCBr 34a_100010132937_100000748600 [0,2,0,0,0,0|1,0,1]=4 6922 B13R0.336 CC#CCOCCOCCOCCBr 7a_100010132937_100000748600 [0,2,0,0,0,0|1,0,1]=4 6923 B13R0.336 CC#CCOCCOCCOCCCl 34a_100000032323_100000748600 [0,2,0,0,0,0|1,0,1]=4 6924 B13R0.336 CC#CCOCCOCCOCCCl 7a_100000032323_100000748600 [0,2,0,0,0,0|1,0,1]=4 6925 B13R0.336 CC#CCOCCOCCOCCN 34a_100011998139_100000748600 [0,2,0,0,0,0|1,0,1]=4 6926 B13R0.336 CC#CCOCCOCCOCCO 34a_100000761923_100000032323 [0,2,0,0,0,0|1,0,1]=4 6927 B13R0.336 CC/C=C\CCCCCOCCOC 34a_100016268722_100011201679 [0,2,0,0,0,0|2,0,0]=4 6928 B13R0.336 CC/C=C\CCCCCOCCOC 7a_100016268722_100000233755 [0,2,0,0,0,0|2,0,0]=4 6929 B13R0.336 CC/C=C\CCNCCOCCOC 2230a_100000745349_100015370543 [0,2,0,0,0,0|2,0,0]=4 6930 B13R0.336 CC/C=C\CCNCCOCCOC 34a_100000745349_100015370543 [0,2,0,0,0,0|2,0,0]=4 6931 B13R0.336 CC/C=C\CCOCCOCCCC 34a_100000210238_100015370543 [0,2,0,0,0,0|2,0,0]=4 6932 B13R0.336 CC/C=C\CCOCCOCCCC 34a_100016288707_100000743108 [0,2,0,0,0,0|2,0,0]=4 6933 B13R0.336 CC/C=C\CCOCCOCCCC 7a_100000210238_100015370543 [0,2,0,0,0,0|2,0,0]=4 6934 B13R0.336 CC/C=C\CCOCCOCCCC 7a_100016288707_100000743108 [0,2,0,0,0,0|2,0,0]=4 6935 B13R0.336 CC/C=C\CCOCCOCCNC 34a_100000228057_100015370543 [0,2,0,0,0,0|2,0,0]=4 6936 B13R0.336 CC/C=C\CCOCCOCCOC 34a_100011215163_100015370543 [0,2,0,0,0,0|1,0,0]=3 6937 B13R0.336 CC/C=C\CCOCCOCCOC 34a_100016288707_100000695917 [0,2,0,0,0,0|1,0,0]=3 6938 B13R0.336 CC/C=C\CCOCCOCCOC 7a_100011215163_100015370543 [0,2,0,0,0,0|1,0,0]=3 6939 B13R0.336 CC/C=C\CCOCCOCCOC 7a_100016288707_100000695917 [0,2,0,0,0,0|1,0,0]=3 6940 B13R0.336 CC/C=C\CCSCCOCCOC 62a_100000695917_100015370543 [0,2,0,0,0,0|1,1,0]=4 6941 B13R0.336 CC/C=C\CCSCCOCCOC 62a_100015370543_100000695917 [0,2,0,0,0,0|1,1,0]=4 6942 B13R0.336 CC/C=C\COCCCOCCOC 34a_100016268518_100011216529 [0,2,0,0,0,0|1,0,1]=4 6943 B13R0.336 CC/C=C\COCCOCCOCC 34a_100000210240_100103147603 [0,2,0,0,0,0|1,0,1]=4 6944 B13R0.336 CC/C=C\COCCOCCOCC 34a_100016268518_100011211534 [0,2,0,0,0,0|1,0,1]=4 6945 B13R0.336 CC/C=C\COCCOCCOCC 7a_100000210240_100103147603 [0,2,0,0,0,0|1,0,1]=4 6946 B13R0.336 CC=C=CCCOCCOCCCC 34a_100011020354_100000743108 [0,2,0,0,0,0|2,0,0]=4 6947 B13R0.336 CC=C=CCCOCCOCCOC 34a_100011020354_100000695917 [0,2,0,0,0,0|1,0,0]=3 6948 B13R0.336 CC=CCCCOCCOCCCC 34a_100020645299_100000743108 [0,2,0,0,0,0|2,0,0]=4 6949 B13R0.336 CC=CCCCOCCOCCOC 34a_100020645299_100000695917 [0,2,0,0,0,0|1,0,0]=3 6950 B13R0.336 CC=CCOCCCOCCCOC 34a_200011215475_100000070051 [0,2,0,0,0,0|1,0,1]=4 6951 B13R0.336 CC=CCOCCCOCCCOC 7a_200011215475_100000070051 [0,2,0,0,0,0|1,0,1]=4 6952 B13R0.336 CC=CCOCCOCCOCCBr 34a_100010132937_100000070051 [0,2,0,0,0,0|1,0,1]=4 6953 B13R0.336 CC=CCOCCOCCOCCBr 7a_100010132937_100000070051 [0,2,0,0,0,0|1,0,1]=4 6954 B13R0.336 CC=CCOCCOCCOCCCl 34a_100000032323_100000070051 [0,2,0,0,0,0|1,0,1]=4 6955 B13R0.336 CC=CCOCCOCCOCCCl 7a_100000032323_100000070051 [0,2,0,0,0,0|1,0,1]=4 6956 B13R0.336 CC=CCOCCOCCOCCN 34a_100011998139_100000070051 [0,2,0,0,0,0|1,0,1]=4 6957 B13R0.336 CCC#CCCOCCOCCCC 34a_100000036655_100000743108 [0,2,0,0,0,0|2,0,0]=4 6958 B13R0.336 CCC#CCCOCCOCCCC 7a_100000036655_100000743108 [0,2,0,0,0,0|2,0,0]=4 6959 B13R0.336 CCC#CCCOCCOCCOC 34a_100000036655_100000695917 [0,2,0,0,0,0|1,0,0]=3 6960 B13R0.336 CCC#CCCOCCOCCOC 7a_100000036655_100000695917 [0,2,0,0,0,0|1,0,0]=3 6961 B13R0.336 CCC#CCOCCCOCCOC 34a_100000032950_100011216529 [0,2,0,0,0,0|1,0,1]=4 6962 B13R0.336 CCC#CCOCCOCCOCC 34a_100000032950_100011211534 [0,2,0,0,0,0|1,0,1]=4 6963 B13R0.336 CCC#CCOCCOCCOCC 34a_100000210240_100009813939 [0,2,0,0,0,0|1,0,1]=4 6964 B13R0.336 CCC#CCOCCOCCOCC 7a_100000210240_100009813939 [0,2,0,0,0,0|1,0,1]=4 6965 B13R0.336 CCC/C=C/COCCOCCCC 34a_100016278788_100000743108 [0,2,0,0,0,0|2,0,0]=4 6966 B13R0.336 CCC/C=C/COCCOCCCC 7a_100016278788_100000743108 [0,2,0,0,0,0|2,0,0]=4 6967 B13R0.336 CCC/C=C/COCCOCCOC 34a_100016278788_100000695917 [0,2,0,0,0,0|1,0,0]=3 6968 B13R0.336 CCC/C=C/COCCOCCOC 7a_100016278788_100000695917 [0,2,0,0,0,0|1,0,0]=3 6969 B13R0.336 CCCC#CCOCCOCCCC 34a_100000034806_100000743108 [0,2,0,0,0,0|2,0,0]=4 6970 B13R0.336 CCCC#CCOCCOCCCC 7a_100000034806_100000743108 [0,2,0,0,0,0|2,0,0]=4 6971 B13R0.336 CCCC#CCOCCOCCOC 34a_100000034806_100000695917 [0,2,0,0,0,0|1,0,0]=3 6972 B13R0.336 CCCC#CCOCCOCCOC 7a_100000034806_100000695917 [0,2,0,0,0,0|1,0,0]=3 6973 B13R0.336 CCCC/C=C\CCOCCCOC 34a_200016286491_100000740836 [0,2,0,0,0,0|2,0,0]=4 6974 B13R0.336 CCCC/C=C\CCOCCCOC 7a_200016286491_100000740836 [0,2,0,0,0,0|2,0,0]=4 6975 B13R0.336 CCCC/C=C\CCOCCOCC 34a_200016286491_100000210147 [0,2,0,0,0,0|2,0,0]=4 6976 B13R0.336 CCCC/C=C\CCOCCOCC 7a_200016286491_100011215890 [0,2,0,0,0,0|2,0,0]=4 6977 B13R0.336 CCCCC#CCCCOCCOC 34a_100000210237_200000047210 [0,2,0,0,0,0|2,0,0]=4 6978 B13R0.336 CCCCC#CCCOCCCOC 34a_100000037610_100000740836 [0,2,0,0,0,0|2,0,0]=4 6979 B13R0.336 CCCCC#CCCOCCCOC 7a_100000037610_100000740836 [0,2,0,0,0,0|2,0,0]=4 6980 B13R0.336 CCCCC#CCCOCCOCC 34a_100000037610_100000210147 [0,2,0,0,0,0|2,0,0]=4 6981 B13R0.336 CCCCC#CCCOCCOCC 7a_100000037610_100011215890 [0,2,0,0,0,0|2,0,0]=4 6982 B13R0.336 CCCCC/C=C\CCOCCOC 34a_100016277358_100011201679 [0,2,0,0,0,0|2,0,0]=4 6983 B13R0.336 CCCCC/C=C\CCOCCOC 7a_100016277358_100000233755 [0,2,0,0,0,0|2,0,0]=4 6984 B13R0.336 CCCCCC#CCCOCCOC 34a_200000042877_100011201679 [0,2,0,0,0,0|2,0,0]=4 6985 B13R0.336 CCCCCC#CCCOCCOC 7a_200000042877_100000233755 [0,2,0,0,0,0|2,0,0]=4 6986 B13R0.336 CCCCCC/C=C/COCCOC 34a_200016276170_100011201679 [0,2,0,0,0,0|2,0,0]=4 6987 B13R0.336 CCCCCC/C=C/COCCOC 7a_200016276170_100000233755 [0,2,0,0,0,0|2,0,0]=4 6988 B13R0.336 CCCCCCC#CCOCCOC 34a_200000037284_100011201679 [0,2,0,0,0,0|2,0,0]=4 6989 B13R0.336 CCCCCCC#CCOCCOC 7a_200000037284_100000233755 [0,2,0,0,0,0|2,0,0]=4 6990 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,2,0,0,0,0|2,0,0]=4 6991 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,2,0,0,0,0|2,0,0]=4 6992 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,2,0,0,0,0|2,0,0]=4 6993 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,2,0,0,0,0|2,0,0]=4 6994 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,2,0,0,0,0|2,0,0]=4 6995 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,2,0,0,0,0|2,0,0]=4 6996 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [0,2,0,0,0,0|2,0,0]=4 6997 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [0,2,0,0,0,0|2,0,0]=4 6998 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [0,2,0,0,0,0|2,0,0]=4 6999 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [0,2,0,0,0,0|2,0,0]=4 7000 B13R0.336 CCCCCCCNCOCCOC 2230a_100000229938_100000231047 [0,2,0,0,0,0|2,0,0]=4 7001 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,2,0,0,0,0|2,0,0]=4 7002 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,2,0,0,0,0|2,0,0]=4 7003 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,2,0,0,0,0|2,0,0]=4 7004 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [0,2,0,0,0,0|2,0,0]=4 7005 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [0,2,0,0,0,0|2,0,0]=4 7006 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [0,2,0,0,0,0|2,0,0]=4 7007 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [0,2,0,0,0,0|2,0,0]=4 7008 B13R0.336 CCCCCCCOCCOCC#N 7a_100000210272_200000047693 [0,2,0,0,0,0|2,0,0]=4 7009 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [0,2,0,0,0,0|2,0,0]=4 7010 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [0,2,0,0,0,0|2,0,0]=4 7011 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [0,2,0,0,0,0|2,0,0]=4 7012 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [0,2,0,0,0,0|2,0,0]=4 7013 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [0,2,0,0,0,0|2,0,0]=4 7014 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [0,2,0,0,0,0|2,0,0]=4 7015 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [0,2,0,0,0,0|2,0,0]=4 7016 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [0,2,0,0,0,0|2,0,0]=4 7017 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [0,2,0,0,0,0|2,0,0]=4 7018 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [0,2,0,0,0,0|2,0,0]=4 7019 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [0,2,0,0,0,0|2,0,0]=4 7020 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [0,2,0,0,0,0|2,0,0]=4 7021 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [0,2,0,0,0,0|2,0,0]=4 7022 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,2,0,0,0,0|2,0,0]=4 7023 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,2,0,0,0,0|2,0,0]=4 7024 B13R0.336 CCCCCCCSCOCCOC 62a_100000210614_100000231047 [0,2,0,0,0,0|2,0,0]=4 7025 B13R0.336 CCCCCCCSCOCCOC 62a_100000231047_100000210316 [0,2,0,0,0,0|2,0,0]=4 7026 B13R0.336 CCCCCCNCCOCCOC 2230a_100000210581_100000695917 [0,2,0,0,0,0|2,0,0]=4 7027 B13R0.336 CCCCCCNCCOCCOC 2230a_100000745349_100000210314 [0,2,0,0,0,0|2,0,0]=4 7028 B13R0.336 CCCCCCNCCOCCOC 34a_100000745349_100000210314 [0,2,0,0,0,0|2,0,0]=4 7029 B13R0.336 CCCCCCOCCOCCCC 34a_100000210238_100000210314 [0,2,0,0,0,0|2,0,0]=4 7030 B13R0.336 CCCCCCOCCOCCCC 34a_100000210259_100000743108 [0,2,0,0,0,0|2,0,0]=4 7031 B13R0.336 CCCCCCOCCOCCCC 34a_100000691444_100000210210 [0,2,0,0,0,0|2,0,0]=4 7032 B13R0.336 CCCCCCOCCOCCCC 7a_100000210238_100000210314 [0,2,0,0,0,0|2,0,0]=4 7033 B13R0.336 CCCCCCOCCOCCCC 7a_100000210259_100000743108 [0,2,0,0,0,0|2,0,0]=4 7034 B13R0.336 CCCCCCOCCOCCCC 7a_100000691444_100000210211 [0,2,0,0,0,0|2,0,0]=4 7035 B13R0.336 CCCCCCOCCOCCNC 34a_100000228057_100000210314 [0,2,0,0,0,0|2,0,0]=4 7036 B13R0.336 CCCCCCOCCOCCOC 34a_100000032842_200000210301 [0,2,0,0,0,0|1,0,0]=3 7037 B13R0.336 CCCCCCOCCOCCOC 34a_100000210259_100000695917 [0,2,0,0,0,0|1,0,0]=3 7038 B13R0.336 CCCCCCOCCOCCOC 34a_100000691444_100011201679 [0,2,0,0,0,0|1,0,0]=3 7039 B13R0.336 CCCCCCOCCOCCOC 34a_100011215163_100000210314 [0,2,0,0,0,0|1,0,0]=3 7040 B13R0.336 CCCCCCOCCOCCOC 7a_100000032842_200000210301 [0,2,0,0,0,0|1,0,0]=3 7041 B13R0.336 CCCCCCOCCOCCOC 7a_100000210259_100000695917 [0,2,0,0,0,0|1,0,0]=3 7042 B13R0.336 CCCCCCOCCOCCOC 7a_100000691444_100000233755 [0,2,0,0,0,0|1,0,0]=3 7043 B13R0.336 CCCCCCOCCOCCOC 7a_100011215163_100000210314 [0,2,0,0,0,0|1,0,0]=3 7044 B13R0.336 CCCCCCOCCOCCO[13CH3] 34a_100000032842_200025704644 [0,2,0,0,0,0|1,0,0]=3 7045 B13R0.336 CCCCCCOCCOCCO[13CH3] 7a_100000032842_200025704644 [0,2,0,0,0,0|1,0,0]=3 7046 B13R0.336 CCCCCCOCCOCCSC 34a_100000691444_100000212216 [0,2,0,0,0,0|1,1,0]=4 7047 B13R0.336 CCCCCCOCCOCCSC 7a_100000691444_100000212216 [0,2,0,0,0,0|1,1,0]=4 7048 B13R0.336 CCCCCCSCCOCCOC 62a_100000210314_100000695917 [0,2,0,0,0,0|1,1,0]=4 7049 B13R0.336 CCCCCCSCCOCCOC 62a_100000695917_100000210757 [0,2,0,0,0,0|1,1,0]=4 7050 B13R0.336 CCCCCNCCCOCCOC 2230a_100000206027_100000210326 [0,2,0,0,0,0|2,0,0]=4 7051 B13R0.336 CCCCCNCCCOCCOC 2230a_100000209983_100011216529 [0,2,0,0,0,0|2,0,0]=4 7052 B13R0.336 CCCCCNCCCOCCOC 34a_100000206027_100000718602 [0,2,0,0,0,0|2,0,0]=4 7053 B13R0.336 CCCCCNCCOCCCOC 34a_100000224656_100000740836 [0,2,0,0,0,0|2,0,0]=4 7054 B13R0.336 CCCCCNCCOCCOCC 2230a_100000209983_100011211534 [0,2,0,0,0,0|2,0,0]=4 7055 B13R0.336 CCCCCNCCOCCOCC 2230a_100102712874_100000210326 [0,2,0,0,0,0|2,0,0]=4 7056 B13R0.336 CCCCCNCCOCCOCC 34a_100000224656_100000210147 [0,2,0,0,0,0|2,0,0]=4 7057 B13R0.336 CCCCCNCCOCCOCC 34a_100102712874_100000718602 [0,2,0,0,0,0|2,0,0]=4 7058 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,2,0,0,0,0|2,0,0]=4 7059 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,2,0,0,0,0|2,0,0]=4 7060 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,2,0,0,0,0|2,0,0]=4 7061 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,2,0,0,0,0|2,0,0]=4 7062 B13R0.336 CCCCCOCCCOCCCC 34a_200011215613_100000718602 [0,2,0,0,0,0|2,0,0]=4 7063 B13R0.336 CCCCCOCCCOCCCC 7a_200011215613_100000210326 [0,2,0,0,0,0|2,0,0]=4 7064 B13R0.336 CCCCCOCCCOCCOC 34a_100000210253_100011216529 [0,2,0,0,0,0|1,0,0]=3 7065 B13R0.336 CCCCCOCCCOCCOC 7a_100000210253_100011216529 [0,2,0,0,0,0|1,0,0]=3 7066 B13R0.336 CCCCCOCCOCCCCC 34a_100011215259_100000718602 [0,2,0,0,0,0|2,0,0]=4 7067 B13R0.336 CCCCCOCCOCCCCC 7a_100011215259_100000210326 [0,2,0,0,0,0|2,0,0]=4 7068 B13R0.336 CCCCCOCCOCCCCF 34a_100011215259_100000729493 [0,2,0,0,0,0|2,0,0]=4 7069 B13R0.336 CCCCCOCCOCCCCF 7a_100011215259_100000729493 [0,2,0,0,0,0|2,0,0]=4 7070 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [0,2,0,0,0,0|2,0,0]=4 7071 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [0,2,0,0,0,0|2,0,0]=4 7072 B13R0.336 CCCCCOCCOCCCOC 34a_100011215259_100000740836 [0,2,0,0,0,0|1,0,0]=3 7073 B13R0.336 CCCCCOCCOCCCOC 7a_100011215259_100000740836 [0,2,0,0,0,0|1,0,0]=3 7074 B13R0.336 CCCCCOCCOCCOCC 34a_100000210240_100000718602 [0,2,0,0,0,0|1,0,0]=3 7075 B13R0.336 CCCCCOCCOCCOCC 34a_100000210253_100011211534 [0,2,0,0,0,0|1,0,0]=3 7076 B13R0.336 CCCCCOCCOCCOCC 34a_100011215259_100000210147 [0,2,0,0,0,0|1,0,0]=3 7077 B13R0.336 CCCCCOCCOCCOCC 7a_100000210240_100000210326 [0,2,0,0,0,0|1,0,0]=3 7078 B13R0.336 CCCCCOCCOCCOCC 7a_100000210253_100011211534 [0,2,0,0,0,0|1,0,0]=3 7079 B13R0.336 CCCCCOCCOCCOCC 7a_100011215259_100011215890 [0,2,0,0,0,0|1,0,0]=3 7080 B13R0.336 CCCCCOCCOCCSCC 34a_100011215259_100000757381 [0,2,0,0,0,0|1,1,0]=4 7081 B13R0.336 CCCCCOCCOCCSCC 7a_100011215259_100000757381 [0,2,0,0,0,0|1,1,0]=4 7082 B13R0.336 CCCCCSCCCOCCOC 62a_100000210326_100011216529 [0,2,0,0,0,0|1,1,0]=4 7083 B13R0.336 CCCCCSCCCOCCOC 62a_100011216529_100000210326 [0,2,0,0,0,0|1,1,0]=4 7084 B13R0.336 CCCCCSCCOCCOCC 62a_100000210326_100011211534 [0,2,0,0,0,0|1,1,0]=4 7085 B13R0.336 CCCCCSCCOCCOCC 62a_100011211534_100000210326 [0,2,0,0,0,0|1,1,0]=4 7086 B13R0.336 CCCCNCCCCOCCOC 34a_200011216965_100011201679 [0,2,0,0,0,0|2,0,0]=4 7087 B13R0.336 CCCCNCCOCCOCCC 2230a_200011904461_100000210211 [0,2,0,0,0,0|2,0,0]=4 7088 B13R0.336 CCCCNCCOCCOCCC 34a_200011904461_100000210210 [0,2,0,0,0,0|2,0,0]=4 7089 B13R0.336 CCCCNCCOCCOCCO 2230a_100000102301_100000032323 [0,2,0,0,0,0|2,0,0]=4 7090 B13R0.336 CCCCNCCOCCOCCO 2230a_100011998139_100000210211 [0,2,0,0,0,0|2,0,0]=4 7091 B13R0.336 CCCCNCCOCCOCCO 34a_100011998139_100000210210 [0,2,0,0,0,0|2,0,0]=4 7092 B13R0.336 CCCCNCCOCCOCCO 7a_106832991798_100000032323 [0,2,0,0,0,0|2,0,0]=4 7093 B13R0.336 CCCCOCCCCOCCCC 34a_200000760531_100000210210 [0,2,0,0,0,0|2,0,0]=4 7094 B13R0.336 CCCCOCCCCOCCCC 7a_200000760531_100000210211 [0,2,0,0,0,0|2,0,0]=4 7095 B13R0.336 CCCCOCCCCOCCOC 34a_200000760531_100011201679 [0,2,0,0,0,0|1,0,0]=3 7096 B13R0.336 CCCCOCCCCOCCOC 7a_200000760531_100000233755 [0,2,0,0,0,0|1,0,0]=3 7097 B13R0.336 CCCCOCCCCOCCSC 34a_200000760531_100000212216 [0,2,0,0,0,0|1,1,0]=4 7098 B13R0.336 CCCCOCCCCOCCSC 7a_200000760531_100000212216 [0,2,0,0,0,0|1,1,0]=4 7099 B13R0.336 CCCCOCCCNCCCOC 2230a_200000211371_100000740836 [0,2,0,0,0,0|2,0,0]=4 7100 B13R0.336 CCCCOCCCNCCCOC 34a_200000211371_100000740836 [0,2,0,0,0,0|2,0,0]=4 7101 B13R0.336 CCCCOCCCNCCOCC 2230a_200000211371_100011215890 [0,2,0,0,0,0|2,0,0]=4 7102 B13R0.336 CCCCOCCCNCCOCC 34a_200000211371_100000210147 [0,2,0,0,0,0|2,0,0]=4 7103 B13R0.336 CCCCOCCCOCCCCF 34a_200011215613_100000729493 [0,2,0,0,0,0|2,0,0]=4 7104 B13R0.336 CCCCOCCCOCCCCF 7a_200011215613_100000729493 [0,2,0,0,0,0|2,0,0]=4 7105 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [0,2,0,0,0,0|2,0,0]=4 7106 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [0,2,0,0,0,0|2,0,0]=4 7107 B13R0.336 CCCCOCCCOCCCOC 34a_200011215475_100000210210 [0,2,0,0,0,0|1,0,0]=3 7108 B13R0.336 CCCCOCCCOCCCOC 34a_200011215613_100000740836 [0,2,0,0,0,0|1,0,0]=3 7109 B13R0.336 CCCCOCCCOCCCOC 7a_200011215475_100000210211 [0,2,0,0,0,0|1,0,0]=3 7110 B13R0.336 CCCCOCCCOCCCOC 7a_200011215613_100000740836 [0,2,0,0,0,0|1,0,0]=3 7111 B13R0.336 CCCCOCCCOCCOCC 34a_200011215613_100000210147 [0,2,0,0,0,0|1,0,0]=3 7112 B13R0.336 CCCCOCCCOCCOCC 7a_200011215613_100011215890 [0,2,0,0,0,0|1,0,0]=3 7113 B13R0.336 CCCCOCCCOCCSCC 34a_200011215613_100000757381 [0,2,0,0,0,0|1,1,0]=4 7114 B13R0.336 CCCCOCCCOCCSCC 7a_200011215613_100000757381 [0,2,0,0,0,0|1,1,0]=4 7115 B13R0.336 CCCCOCCNCCCOCC 2230a_100000210961_100000743108 [0,2,0,0,0,0|2,0,0]=4 7116 B13R0.336 CCCCOCCNCCCOCC 34a_100000210961_100000743108 [0,2,0,0,0,0|2,0,0]=4 7117 B13R0.336 CCCCOCCNCCOCCC 2230a_100161115042_100000743108 [0,2,0,0,0,0|2,0,0]=4 7118 B13R0.336 CCCCOCCNCCOCCC 34a_100161115042_100000743108 [0,2,0,0,0,0|2,0,0]=4 7119 B13R0.336 CCCCOCCNCCOCCO 2230a_100000211614_100000743108 [0,2,0,0,0,0|2,0,0]=4 7120 B13R0.336 CCCCOCCNCCOCCO 34a_100000211614_100000743108 [0,2,0,0,0,0|2,0,0]=4 7121 B13R0.336 CCCCOCCOCCCCC#N 7a_100000210238_100000211819 [0,2,0,0,0,0|2,0,0]=4 7122 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,2,0,0,0,0|2,0,0]=4 7123 B13R0.336 CCCCOCCOCCCCCBr 34a_100000746331_100000743108 [0,2,0,0,0,0|2,0,0]=4 7124 B13R0.336 CCCCOCCOCCCCCBr 7a_100000746331_100000743108 [0,2,0,0,0,0|2,0,0]=4 7125 B13R0.336 CCCCOCCOCCCCCCl 34a_100000746330_100000743108 [0,2,0,0,0,0|2,0,0]=4 7126 B13R0.336 CCCCOCCOCCCCCCl 7a_100000746330_100000743108 [0,2,0,0,0,0|2,0,0]=4 7127 B13R0.336 CCCCOCCOCCCCCF 34a_100000210238_100000729378 [0,2,0,0,0,0|2,0,0]=4 7128 B13R0.336 CCCCOCCOCCCCCF 7a_100000210238_100000729378 [0,2,0,0,0,0|2,0,0]=4 7129 B13R0.336 CCCCOCCOCCCCCI 34a_200012148887_100000743108 [0,2,0,0,0,0|2,0,0]=4 7130 B13R0.336 CCCCOCCOCCCCCI 7a_200012148887_100000743108 [0,2,0,0,0,0|2,0,0]=4 7131 B13R0.336 CCCCOCCOCCCCCN 34a_100000762737_100000743108 [0,2,0,0,0,0|2,0,0]=4 7132 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [0,2,0,0,0,0|2,0,0]=4 7133 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [0,2,0,0,0,0|2,0,0]=4 7134 B13R0.336 CCCCOCCOCCCCOC 34a_100000210238_100000755781 [0,2,0,0,0,0|1,0,0]=3 7135 B13R0.336 CCCCOCCOCCCCOC 34a_100000740925_100000743108 [0,2,0,0,0,0|1,0,0]=3 7136 B13R0.336 CCCCOCCOCCCCOC 7a_100000210238_100000730899 [0,2,0,0,0,0|1,0,0]=3 7137 B13R0.336 CCCCOCCOCCCCSC 34a_100011217163_100000743108 [0,2,0,0,0,0|1,1,0]=4 7138 B13R0.336 CCCCOCCOCCCCSC 7a_100011217163_100000743108 [0,2,0,0,0,0|1,1,0]=4 7139 B13R0.336 CCCCOCCOCCCOCC 34a_100000210238_100012232248 [0,2,0,0,0,0|1,0,0]=3 7140 B13R0.336 CCCCOCCOCCCOCC 34a_100000757476_100000743108 [0,2,0,0,0,0|1,0,0]=3 7141 B13R0.336 CCCCOCCOCCCOCC 7a_100000210238_100012232248 [0,2,0,0,0,0|1,0,0]=3 7142 B13R0.336 CCCCOCCOCCCOCC 7a_100000757476_100000743108 [0,2,0,0,0,0|1,0,0]=3 7143 B13R0.336 CCCCOCCOCCCSCC 34a_100011216438_100000743108 [0,2,0,0,0,0|1,1,0]=4 7144 B13R0.336 CCCCOCCOCCCSCC 7a_100011216438_100000743108 [0,2,0,0,0,0|1,1,0]=4 7145 B13R0.336 CCCCOCCOCCOCC#N 7a_100000210238_200000047693 [0,2,0,0,0,0|1,0,0]=3 7146 B13R0.336 CCCCOCCOCCOCC#N 7a_100011215186_100011215382 [0,2,0,0,0,0|1,0,0]=3 7147 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [0,2,0,0,0,0|1,0,0]=3 7148 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [0,2,0,0,0,0|1,0,0]=3 7149 B13R0.336 CCCCOCCOCCOCCBr 34a_100000692535_100000743108 [0,2,0,0,0,0|1,0,0]=3 7150 B13R0.336 CCCCOCCOCCOCCBr 34a_100010132937_100000210210 [0,2,0,0,0,0|1,0,0]=3 7151 B13R0.336 CCCCOCCOCCOCCBr 7a_100000692535_100000743108 [0,2,0,0,0,0|1,0,0]=3 7152 B13R0.336 CCCCOCCOCCOCCBr 7a_100010132937_100000210211 [0,2,0,0,0,0|1,0,0]=3 7153 B13R0.336 CCCCOCCOCCOCCC 34a_100000210238_100011215938 [0,2,0,0,0,0|1,0,0]=3 7154 B13R0.336 CCCCOCCOCCOCCC 34a_100000752267_100000743108 [0,2,0,0,0,0|1,0,0]=3 7155 B13R0.336 CCCCOCCOCCOCCC 34a_100011215186_100000210303 [0,2,0,0,0,0|1,0,0]=3 7156 B13R0.336 CCCCOCCOCCOCCC 7a_100000210238_100011215938 [0,2,0,0,0,0|1,0,0]=3 7157 B13R0.336 CCCCOCCOCCOCCC 7a_100000752267_100000743108 [0,2,0,0,0,0|1,0,0]=3 7158 B13R0.336 CCCCOCCOCCOCCC 7a_100011215186_100000210303 [0,2,0,0,0,0|1,0,0]=3 7159 B13R0.336 CCCCOCCOCCOCCCl 34a_100000032323_100000210210 [0,2,0,0,0,0|1,0,0]=3 7160 B13R0.336 CCCCOCCOCCOCCCl 34a_100011215305_100000743108 [0,2,0,0,0,0|1,0,0]=3 7161 B13R0.336 CCCCOCCOCCOCCCl 7a_100000032323_100000210211 [0,2,0,0,0,0|1,0,0]=3 7162 B13R0.336 CCCCOCCOCCOCCCl 7a_100011215305_100000743108 [0,2,0,0,0,0|1,0,0]=3 7163 B13R0.336 CCCCOCCOCCOCCF 34a_100011215186_100011217306 [0,2,0,0,0,0|1,0,0]=3 7164 B13R0.336 CCCCOCCOCCOCCF 34a_200015357709_100000743108 [0,2,0,0,0,0|1,0,0]=3 7165 B13R0.336 CCCCOCCOCCOCCF 7a_100011215186_100011217306 [0,2,0,0,0,0|1,0,0]=3 7166 B13R0.336 CCCCOCCOCCOCCF 7a_200015357709_100000743108 [0,2,0,0,0,0|1,0,0]=3 7167 B13R0.336 CCCCOCCOCCOCCI 34a_100012149058_100000743108 [0,2,0,0,0,0|1,0,0]=3 7168 B13R0.336 CCCCOCCOCCOCCI 7a_100012149058_100000743108 [0,2,0,0,0,0|1,0,0]=3 7169 B13R0.336 CCCCOCCOCCOCCN 34a_100000211614_100000743108 [0,2,0,0,0,0|1,0,0]=3 7170 B13R0.336 CCCCOCCOCCOCCN 34a_100011998139_100000210210 [0,2,0,0,0,0|1,0,0]=3 7171 B13R0.336 CCCCOCCOCCOCCO 34a_100000210227_100000032323 [0,2,0,0,0,0|1,0,0]=3 7172 B13R0.336 CCCCOCCOCCOCCO 34a_100000210238_100000692535 [0,2,0,0,0,0|1,0,0]=3 7173 B13R0.336 CCCCOCCOCCOCCO 34a_100011215186_100000211926 [0,2,0,0,0,0|1,0,0]=3 7174 B13R0.336 CCCCOCCOCCOCCO 7a_100000210227_100000032323 [0,2,0,0,0,0|1,0,0]=3 7175 B13R0.336 CCCCOCCOCCOCCO 7a_100000210238_100011215305 [0,2,0,0,0,0|1,0,0]=3 7176 B13R0.336 CCCCOCCOCCOCCO 7a_100011215186_100000211926 [0,2,0,0,0,0|1,0,0]=3 7177 B13R0.336 CCCCOCCOCCOCSC 34a_100011215186_100011218213 [0,2,0,0,0,0|1,0,0]=3 7178 B13R0.336 CCCCOCCOCCSCCC 34a_200000230433_100000743108 [0,2,0,0,0,0|1,1,0]=4 7179 B13R0.336 CCCCOCCOCCSCCC 7a_200000230433_100000743108 [0,2,0,0,0,0|1,1,0]=4 7180 B13R0.336 CCCCOCCOCOCCCC 34a_100000210238_100011995733 [0,2,0,0,0,0|2,0,0]=4 7181 B13R0.336 CCCCOCCSCCCCOC 62a_100000730899_100000743108 [0,2,0,0,0,0|1,1,0]=4 7182 B13R0.336 CCCCOCCSCCCCOC 62a_100000743108_100000730899 [0,2,0,0,0,0|1,1,0]=4 7183 B13R0.336 CCCCOCCSCCCOCC 62a_100000743108_100012232248 [0,2,0,0,0,0|1,1,0]=4 7184 B13R0.336 CCCCOCCSCCCOCC 62a_100012232248_100000743108 [0,2,0,0,0,0|1,1,0]=4 7185 B13R0.336 CCCCOCCSCCOCC#N 62a_100000743108_200000047693 [0,2,0,0,0,0|1,1,0]=4 7186 B13R0.336 CCCCOCCSCCOCC#N 62a_200000047693_100000743108 [0,2,0,0,0,0|1,1,0]=4 7187 B13R0.336 CCCCOCCSCCOCCC 62a_100000743108_100011215938 [0,2,0,0,0,0|1,1,0]=4 7188 B13R0.336 CCCCOCCSCCOCCC 62a_100011215938_100000743108 [0,2,0,0,0,0|1,1,0]=4 7189 B13R0.336 CCCCOCCSCCOCCO 62a_100000743108_100011215305 [0,2,0,0,0,0|1,1,0]=4 7190 B13R0.336 CCCCOCCSCCOCCO 62a_100011215305_100000743108 [0,2,0,0,0,0|1,1,0]=4 7191 B13R0.336 CCCCOCCSCOCCCC 62a_100000743108_100011995733 [0,2,0,0,0,0|2,0,0]=4 7192 B13R0.336 CCCCOCCSCOCCCC 62a_100011995733_100000743108 [0,2,0,0,0,0|2,0,0]=4 7193 B13R0.336 CCCCOCCSCOCCOC 62a_100000231047_100000743108 [0,2,0,0,0,0|1,0,0]=3 7194 B13R0.336 CCCCOCCSCOCCOC 62a_100000743108_100000231047 [0,2,0,0,0,0|1,0,0]=3 7195 B13R0.336 CCCCOCNCCCCCOC 2230a_100000747528_100011995733 [0,2,0,0,0,0|2,0,0]=4 7196 B13R0.336 CCCCOCNCCCCCOC 34a_100000747528_100011995733 [0,2,0,0,0,0|2,0,0]=4 7197 B13R0.336 CCCCOCNCCOCCOC 2230a_100000745349_100011995733 [0,2,0,0,0,0|1,0,0]=3 7198 B13R0.336 CCCCOCNCCOCCOC 34a_100000745349_100011995733 [0,2,0,0,0,0|1,0,0]=3 7199 B13R0.336 CCCCOCOCCOCCNC 34a_100000228057_100011995733 [0,2,0,0,0,0|2,0,0]=4 7200 B13R0.336 CCCCOCOCCOCCOC 34a_100011215163_100011995733 [0,2,0,0,0,0|1,0,0]=3 7201 B13R0.336 CCCCOCSCCOCCOC 62a_100000695917_100011995733 [0,2,0,0,0,0|1,0,0]=3 7202 B13R0.336 CCCCOCSCCOCCOC 62a_100011995733_100000695917 [0,2,0,0,0,0|1,0,0]=3 7203 B13R0.336 CCCCSCCNCOCCOC 2230a_100025743550_100000231047 [0,2,0,0,0,0|1,1,0]=4 7204 B13R0.336 CCCCSCCOCCCCOC 34a_200000230436_100000755781 [0,2,0,0,0,0|1,1,0]=4 7205 B13R0.336 CCCCSCCOCCCCOC 7a_200000230436_100000730899 [0,2,0,0,0,0|1,1,0]=4 7206 B13R0.336 CCCCSCCOCCCOCC 34a_200000230436_100012232248 [0,2,0,0,0,0|1,1,0]=4 7207 B13R0.336 CCCCSCCOCCCOCC 7a_200000230436_100012232248 [0,2,0,0,0,0|1,1,0]=4 7208 B13R0.336 CCCCSCCOCCOCC#N 7a_200000230436_200000047693 [0,2,0,0,0,0|1,1,0]=4 7209 B13R0.336 CCCCSCCOCCOCCC 34a_200000230436_100011215938 [0,2,0,0,0,0|1,1,0]=4 7210 B13R0.336 CCCCSCCOCCOCCC 7a_200000230436_100011215938 [0,2,0,0,0,0|1,1,0]=4 7211 B13R0.336 CCCCSCCOCCOCCO 34a_200000230436_100000692535 [0,2,0,0,0,0|1,1,0]=4 7212 B13R0.336 CCCCSCCOCCOCCO 62a_100000032323_100000210210 [0,2,0,0,0,0|1,1,0]=4 7213 B13R0.336 CCCCSCCOCCOCCO 62a_100000210211_100000032323 [0,2,0,0,0,0|1,1,0]=4 7214 B13R0.336 CCCCSCCOCCOCCO 7a_200000230436_100011215305 [0,2,0,0,0,0|1,1,0]=4 7215 B13R0.336 CCCNCCOCCOCCOC 2230a_100012028300_100000210303 [0,2,0,0,0,0|1,0,0]=3 7216 B13R0.336 CCCNCCOCCOCCOC 34a_100012028300_100000210303 [0,2,0,0,0,0|1,0,0]=3 7217 B13R0.336 CCCOCCCNCOCCOC 2230a_100011217757_100000231047 [0,2,0,0,0,0|2,0,0]=4 7218 B13R0.336 CCCOCCNCCCCCOC 2230a_100000747528_100011215938 [0,2,0,0,0,0|2,0,0]=4 7219 B13R0.336 CCCOCCNCCCCCOC 34a_100000747528_100011215938 [0,2,0,0,0,0|2,0,0]=4 7220 B13R0.336 CCCOCCNCCOCCOC 2230a_100000745349_100011215938 [0,2,0,0,0,0|1,0,0]=3 7221 B13R0.336 CCCOCCNCCOCCOC 2230a_100161115042_100000695917 [0,2,0,0,0,0|1,0,0]=3 7222 B13R0.336 CCCOCCNCCOCCOC 34a_100000745349_100011215938 [0,2,0,0,0,0|1,0,0]=3 7223 B13R0.336 CCCOCCNCCOCCOC 34a_100161115042_100000695917 [0,2,0,0,0,0|1,0,0]=3 7224 B13R0.336 CCCOCCOCCCCCNC 34a_100000722520_100011215938 [0,2,0,0,0,0|2,0,0]=4 7225 B13R0.336 CCCOCCOCCNCCOC 2230a_200011904461_100011201679 [0,2,0,0,0,0|1,0,0]=3 7226 B13R0.336 CCCOCCOCCNCCOC 34a_200011904461_100011201679 [0,2,0,0,0,0|1,0,0]=3 7227 B13R0.336 CCCOCCOCCNCCSC 2230a_200011904461_100000751147 [0,2,0,0,0,0|1,1,0]=4 7228 B13R0.336 CCCOCCOCCNCCSC 34a_200011904461_100000212216 [0,2,0,0,0,0|1,1,0]=4 7229 B13R0.336 CCCOCCOCCOCCCN 34a_100011996194_100000210303 [0,2,0,0,0,0|2,0,0]=4 7230 B13R0.336 CCCOCCOCCOCCNC 34a_100000228057_100011215938 [0,2,0,0,0,0|1,0,0]=3 7231 B13R0.336 CCCOCCOCCOCCNC 34a_200014138305_100000210303 [0,2,0,0,0,0|1,0,0]=3 7232 B13R0.336 CCCOCCOCCOCCOC 34a_100000210258_100013367474 [0,2,0,0,0,0|0,0,0]=2 7233 B13R0.336 CCCOCCOCCOCCOC 34a_100000688194_100000210303 [0,2,0,0,0,0|0,0,0]=2 7234 B13R0.336 CCCOCCOCCOCCOC 34a_100000752267_100000695917 [0,2,0,0,0,0|0,0,0]=2 7235 B13R0.336 CCCOCCOCCOCCOC 34a_100011215163_100011215938 [0,2,0,0,0,0|0,0,0]=2 7236 B13R0.336 CCCOCCOCCOCCOC 7a_100000688194_100000210303 [0,2,0,0,0,0|0,0,0]=2 7237 B13R0.336 CCCOCCOCCOCCOC 7a_100000752267_100000695917 [0,2,0,0,0,0|0,0,0]=2 7238 B13R0.336 CCCOCCOCCOCCOC 7a_100011215163_100011215938 [0,2,0,0,0,0|0,0,0]=2 7239 B13R0.336 CCCOCCSCCOCCOC 62a_100000695917_100011215938 [0,2,0,0,0,0|0,1,0]=3 7240 B13R0.336 CCCOCCSCCOCCOC 62a_100011215938_100000695917 [0,2,0,0,0,0|0,1,0]=3 7241 B13R0.336 CCCSCCNCCOCCOC 2230a_100020603323_100000695917 [0,2,0,0,0,0|1,1,0]=4 7242 B13R0.336 CCCSCCOCCOCCOC 34a_200000230433_100000695917 [0,2,0,0,0,0|0,1,0]=3 7243 B13R0.336 CCCSCCOCCOCCOC 62a_100000210303_100013367474 [0,2,0,0,0,0|0,1,0]=3 7244 B13R0.336 CCCSCCOCCOCCOC 62a_100013367474_100000210303 [0,2,0,0,0,0|0,1,0]=3 7245 B13R0.336 CCCSCCOCCOCCOC 7a_200000230433_100000695917 [0,2,0,0,0,0|0,1,0]=3 7246 B13R0.336 CCNCCOCCOCCOCC 2230a_100012282185_100000210202 [0,2,0,0,0,0|1,0,0]=3 7247 B13R0.336 CCNCCOCCOCCOCC 34a_100012282185_100000210202 [0,2,0,0,0,0|1,0,0]=3 7248 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,2,0,0,0,0|2,0,0]=4 7249 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,2,0,0,0,0|2,0,0]=4 7250 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,2,0,0,0,0|2,0,0]=4 7251 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,2,0,0,0,0|2,0,0]=4 7252 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [0,2,0,0,0,0|2,0,0]=4 7253 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [0,2,0,0,0,0|2,0,0]=4 7254 B13R0.336 CCOCCCNCCOCCOC 2230a_100000210961_100000695917 [0,2,0,0,0,0|1,0,0]=3 7255 B13R0.336 CCOCCCNCCOCCOC 2230a_100000745349_100012232248 [0,2,0,0,0,0|1,0,0]=3 7256 B13R0.336 CCOCCCNCCOCCOC 34a_100000210961_100000695917 [0,2,0,0,0,0|1,0,0]=3 7257 B13R0.336 CCOCCCNCCOCCOC 34a_100000745349_100012232248 [0,2,0,0,0,0|1,0,0]=3 7258 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [0,2,0,0,0,0|2,0,0]=4 7259 B13R0.336 CCOCCCOCCOCCNC 34a_100000228057_100012232248 [0,2,0,0,0,0|1,0,0]=3 7260 B13R0.336 CCOCCCOCCOCCOC 34a_100000757476_100000695917 [0,2,0,0,0,0|0,0,0]=2 7261 B13R0.336 CCOCCCOCCOCCOC 34a_100011215163_100012232248 [0,2,0,0,0,0|0,0,0]=2 7262 B13R0.336 CCOCCCOCCOCCOC 7a_100000757476_100000695917 [0,2,0,0,0,0|0,0,0]=2 7263 B13R0.336 CCOCCCOCCOCCOC 7a_100011215163_100012232248 [0,2,0,0,0,0|0,0,0]=2 7264 B13R0.336 CCOCCCSCCOCCOC 62a_100000695917_100012232248 [0,2,0,0,0,0|0,1,0]=3 7265 B13R0.336 CCOCCCSCCOCCOC 62a_100012232248_100000695917 [0,2,0,0,0,0|0,1,0]=3 7266 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [0,2,0,0,0,0|2,0,0]=4 7267 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [0,2,0,0,0,0|2,0,0]=4 7268 B13R0.336 CCOCCNCCCOCCOC 2230a_100000206027_100011215890 [0,2,0,0,0,0|1,0,0]=3 7269 B13R0.336 CCOCCNCCCOCCOC 2230a_102516460346_100011216529 [0,2,0,0,0,0|1,0,0]=3 7270 B13R0.336 CCOCCNCCCOCCOC 34a_100000206027_100000210147 [0,2,0,0,0,0|1,0,0]=3 7271 B13R0.336 CCOCCNCCCOCCOC 34a_102516460346_100011216529 [0,2,0,0,0,0|1,0,0]=3 7272 B13R0.336 CCOCCNCCOCCOCC 2230a_100102712874_100011215890 [0,2,0,0,0,0|1,0,0]=3 7273 B13R0.336 CCOCCNCCOCCOCC 2230a_102516460346_100011211534 [0,2,0,0,0,0|1,0,0]=3 7274 B13R0.336 CCOCCNCCOCCOCC 34a_100102712874_100000210147 [0,2,0,0,0,0|1,0,0]=3 7275 B13R0.336 CCOCCNCCOCCOCC 34a_102516460346_100011211534 [0,2,0,0,0,0|1,0,0]=3 7276 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [0,2,0,0,0,0|2,0,0]=4 7277 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [0,2,0,0,0,0|2,0,0]=4 7278 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [0,2,0,0,0,0|2,0,0]=4 7279 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,2,0,0,0,0|2,0,0]=4 7280 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,2,0,0,0,0|2,0,0]=4 7281 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [0,2,0,0,0,0|1,0,0]=3 7282 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [0,2,0,0,0,0|1,0,0]=3 7283 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [0,2,0,0,0,0|1,0,0]=3 7284 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [0,2,0,0,0,0|1,0,0]=3 7285 B13R0.336 CCOCCOCCCOCCCN 34a_100011310245_100000210147 [0,2,0,0,0,0|2,0,0]=4 7286 B13R0.336 CCOCCOCCCOCCOC 34a_100000210136_100011216529 [0,2,0,0,0,0|0,0,0]=2 7287 B13R0.336 CCOCCOCCCOCCOC 7a_100000210136_100011216529 [0,2,0,0,0,0|0,0,0]=2 7288 B13R0.336 CCOCCOCCNCCCCF 2230a_100102712874_100000729493 [0,2,0,0,0,0|2,0,0]=4 7289 B13R0.336 CCOCCOCCNCCCCF 34a_100102712874_100000729493 [0,2,0,0,0,0|2,0,0]=4 7290 B13R0.336 CCOCCOCCNCCCCO 2230a_100000750430_100011211534 [0,2,0,0,0,0|2,0,0]=4 7291 B13R0.336 CCOCCOCCNCCCCO 2230a_100102712874_100000210776 [0,2,0,0,0,0|2,0,0]=4 7292 B13R0.336 CCOCCOCCNCCCCO 34a_100000750430_100011211534 [0,2,0,0,0,0|2,0,0]=4 7293 B13R0.336 CCOCCOCCNCCCCO 34a_100102712874_100011216708 [0,2,0,0,0,0|2,0,0]=4 7294 B13R0.336 CCOCCOCCNCCCOC 2230a_100102712874_100000740836 [0,2,0,0,0,0|1,0,0]=3 7295 B13R0.336 CCOCCOCCNCCCOC 34a_100102712874_100000740836 [0,2,0,0,0,0|1,0,0]=3 7296 B13R0.336 CCOCCOCCNCCCOC 34a_100150723488_100011211534 [0,2,0,0,0,0|1,0,0]=3 7297 B13R0.336 CCOCCOCCNCCCSC 2230a_100000749238_100011211534 [0,2,0,0,0,0|1,1,0]=4 7298 B13R0.336 CCOCCOCCNCCSCC 2230a_100000106463_100011211534 [0,2,0,0,0,0|1,1,0]=4 7299 B13R0.336 CCOCCOCCNCCSCC 2230a_100102712874_100000757381 [0,2,0,0,0,0|1,1,0]=4 7300 B13R0.336 CCOCCOCCNCCSCC 34a_100102712874_100000757381 [0,2,0,0,0,0|1,1,0]=4 7301 B13R0.336 CCOCCOCCOCC#CCCl 34a_200000047223_100011211534 [0,2,0,0,0,0|1,0,1]=4 7302 B13R0.336 CCOCCOCCOCC#CCO 34a_100000210240_200000047223 [0,2,0,0,0,0|1,0,1]=4 7303 B13R0.336 CCOCCOCCOCC#CCO 7a_100000210240_200000047223 [0,2,0,0,0,0|1,0,1]=4 7304 B13R0.336 CCOCCOCCOCCCC#N 7a_100000210240_100000687738 [0,2,0,0,0,0|1,0,1]=4 7305 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [0,2,0,0,0,0|1,0,1]=4 7306 B13R0.336 CCOCCOCCOCCCCBr 34a_100011216708_100011211534 [0,2,0,0,0,0|1,0,0]=3 7307 B13R0.336 CCOCCOCCOCCCCCl 34a_100000210776_100011211534 [0,2,0,0,0,0|1,0,0]=3 7308 B13R0.336 CCOCCOCCOCCCCCl 7a_100000210776_100011211534 [0,2,0,0,0,0|1,0,0]=3 7309 B13R0.336 CCOCCOCCOCCCCF 34a_100000210240_100000729493 [0,2,0,0,0,0|1,0,0]=3 7310 B13R0.336 CCOCCOCCOCCCCF 34a_100011995726_100011211534 [0,2,0,0,0,0|1,0,0]=3 7311 B13R0.336 CCOCCOCCOCCCCF 7a_100000210240_100000729493 [0,2,0,0,0,0|1,0,0]=3 7312 B13R0.336 CCOCCOCCOCCCCF 7a_100011995726_100011211534 [0,2,0,0,0,0|1,0,0]=3 7313 B13R0.336 CCOCCOCCOCCCCI 34a_200012148704_100011211534 [0,2,0,0,0,0|1,0,0]=3 7314 B13R0.336 CCOCCOCCOCCCCN 34a_100000750430_100011211534 [0,2,0,0,0,0|1,0,0]=3 7315 B13R0.336 CCOCCOCCOCCCCO 34a_100000210240_100011216708 [0,2,0,0,0,0|1,0,0]=3 7316 B13R0.336 CCOCCOCCOCCCCO 7a_100000210240_100000210776 [0,2,0,0,0,0|1,0,0]=3 7317 B13R0.336 CCOCCOCCOCCCNC 34a_100000213112_100011211534 [0,2,0,0,0,0|1,0,0]=3 7318 B13R0.336 CCOCCOCCOCCCOC 34a_100000210240_100000740836 [0,2,0,0,0,0|0,0,0]=2 7319 B13R0.336 CCOCCOCCOCCCOC 34a_100000740835_100011211534 [0,2,0,0,0,0|0,0,0]=2 7320 B13R0.336 CCOCCOCCOCCCOC 7a_100000210240_100000740836 [0,2,0,0,0,0|0,0,0]=2 7321 B13R0.336 CCOCCOCCOCCCSC 34a_100000690336_100011211534 [0,2,0,0,0,0|0,1,0]=3 7322 B13R0.336 CCOCCOCCOCCCSC 7a_100000690336_100011211534 [0,2,0,0,0,0|0,1,0]=3 7323 B13R0.336 CCOCCOCCOCCN=[N+]=[N-] 34a_100121572206_100010820720 [0,2,0,0,0,0|2,0,0]=4 7324 B13R0.336 CCOCCOCCOCCNCF 34a_100012282185_100015361967 [0,2,0,0,0,0|1,0,0]=3 7325 B13R0.336 CCOCCOCCOCCOCC 34a_100000033264_100000210202 [0,2,0,0,0,0|0,0,0]=2 7326 B13R0.336 CCOCCOCCOCCOCC 34a_100000210136_100011211534 [0,2,0,0,0,0|0,0,0]=2 7327 B13R0.336 CCOCCOCCOCCOCC 34a_100000210240_100000210147 [0,2,0,0,0,0|0,0,0]=2 7328 B13R0.336 CCOCCOCCOCCOCC 7a_100000033264_100000210202 [0,2,0,0,0,0|0,0,0]=2 7329 B13R0.336 CCOCCOCCOCCOCC 7a_100000210136_100011211534 [0,2,0,0,0,0|0,0,0]=2 7330 B13R0.336 CCOCCOCCOCCOCC 7a_100000210240_100011215890 [0,2,0,0,0,0|0,0,0]=2 7331 B13R0.336 CCOCCOCCOCCOCF 34a_100000033264_100015361967 [0,2,0,0,0,0|0,0,0]=2 7332 B13R0.336 CCOCCOCCOCCOCF 7a_100000033264_100015361967 [0,2,0,0,0,0|0,0,0]=2 7333 B13R0.336 CCOCCOCCOCCSCC 34a_100000210240_100000757381 [0,2,0,0,0,0|0,1,0]=3 7334 B13R0.336 CCOCCOCCOCCSCC 34a_100000212035_100011211534 [0,2,0,0,0,0|0,1,0]=3 7335 B13R0.336 CCOCCOCCOCCSCC 7a_100000210240_100000757381 [0,2,0,0,0,0|0,1,0]=3 7336 B13R0.336 CCOCCOCCOCCSCC 7a_100000212035_100011211534 [0,2,0,0,0,0|0,1,0]=3 7337 B13R0.336 CCOCCOCCSCCCCF 62a_100000729493_100011211534 [0,2,0,0,0,0|1,1,0]=4 7338 B13R0.336 CCOCCOCCSCCCCF 62a_100011211534_100000729493 [0,2,0,0,0,0|1,1,0]=4 7339 B13R0.336 CCOCCOCCSCCCCO 62a_100000210776_100011211534 [0,2,0,0,0,0|1,1,0]=4 7340 B13R0.336 CCOCCOCCSCCCCO 62a_100011211534_100000210776 [0,2,0,0,0,0|1,1,0]=4 7341 B13R0.336 CCOCCOCCSCCCOC 62a_100000709357_100011211534 [0,2,0,0,0,0|0,1,0]=3 7342 B13R0.336 CCOCCOCCSCCCOC 62a_100011211534_100000709357 [0,2,0,0,0,0|0,1,0]=3 7343 B13R0.336 CCOCCOCCSCCOCC 62a_100000210147_100011211534 [0,2,0,0,0,0|0,1,0]=3 7344 B13R0.336 CCOCCOCCSCCOCC 62a_100011211534_100011215890 [0,2,0,0,0,0|0,1,0]=3 7345 B13R0.336 CCOCCOCCSCCSCC 62a_100000757381_100011211534 [0,2,0,0,0,0|0,2,0]=4 7346 B13R0.336 CCOCCOCCSCCSCC 62a_100011211534_100000757381 [0,2,0,0,0,0|0,2,0]=4 7347 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [0,2,0,0,0,0|1,1,0]=4 7348 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [0,2,0,0,0,0|1,1,0]=4 7349 B13R0.336 CCOCCSCCCOCCOC 62a_100000210147_100011216529 [0,2,0,0,0,0|0,1,0]=3 7350 B13R0.336 CCOCCSCCCOCCOC 62a_100011216529_100011215890 [0,2,0,0,0,0|0,1,0]=3 7351 B13R0.336 CCSCCCOCCOCCOC 34a_100011216438_100000695917 [0,2,0,0,0,0|0,1,0]=3 7352 B13R0.336 CCSCCCOCCOCCOC 7a_100011216438_100000695917 [0,2,0,0,0,0|0,1,0]=3 7353 B13R0.336 CCSCCNCCCOCCOC 2230a_100000106463_100011216529 [0,2,0,0,0,0|1,1,0]=4 7354 B13R0.336 CCSCCNCCCOCCOC 2230a_100000206027_100000757381 [0,2,0,0,0,0|1,1,0]=4 7355 B13R0.336 CCSCCNCCCOCCOC 34a_100000206027_100000757381 [0,2,0,0,0,0|1,1,0]=4 7356 B13R0.336 CCSCCOCCCCCCOC 34a_100000212035_100011998445 [0,2,0,0,0,0|1,1,0]=4 7357 B13R0.336 CCSCCOCCCCCCOC 34a_200012092642_100000757381 [0,2,0,0,0,0|1,1,0]=4 7358 B13R0.336 CCSCCOCCCCCCOC 7a_100000212035_100011998445 [0,2,0,0,0,0|1,1,0]=4 7359 B13R0.336 CCSCCOCCCCCCOC 7a_200012092642_100000757381 [0,2,0,0,0,0|1,1,0]=4 7360 B13R0.336 CCSCCOCCCOCCOC 34a_100000212035_100011216529 [0,2,0,0,0,0|0,1,0]=3 7361 B13R0.336 CCSCCOCCCOCCOC 7a_100000212035_100011216529 [0,2,0,0,0,0|0,1,0]=3 7362 B13R0.336 CCSCCSCCCOCCOC 62a_100000757381_100011216529 [0,2,0,0,0,0|0,2,0]=4 7363 B13R0.336 CCSCCSCCCOCCOC 62a_100011216529_100000757381 [0,2,0,0,0,0|0,2,0]=4 7364 B13R0.336 CNCCCCCOCCCCOC 34a_100000722520_100000755781 [0,2,0,0,0,0|2,0,0]=4 7365 B13R0.336 CNCCCCCOCCOCCO 34a_100000722520_100000692535 [0,2,0,0,0,0|2,0,0]=4 7366 B13R0.336 CNCCCOCCCCCCOC 34a_100000213112_100011998445 [0,2,0,0,0,0|2,0,0]=4 7367 B13R0.336 CNCCCOCCCOCCOC 34a_100000213112_100011216529 [0,2,0,0,0,0|1,0,0]=3 7368 B13R0.336 CNCCOCCOCCCCCF 34a_100000228057_100000729378 [0,2,0,0,0,0|2,0,0]=4 7369 B13R0.336 CNCCOCCOCCCCCO 34a_100000228057_100000746330 [0,2,0,0,0,0|2,0,0]=4 7370 B13R0.336 CNCCOCCOCCCCOC 34a_100000228057_100000755781 [0,2,0,0,0,0|1,0,0]=3 7371 B13R0.336 CNCCOCCOCCOCC=O 34a_200014138305_200009817547 [0,2,0,0,0,0|1,0,0]=3 7372 B13R0.336 CNCCOCCOCCOCCF 34a_200014138305_100011217306 [0,2,0,0,0,0|1,0,0]=3 7373 B13R0.336 CNCCOCCOCCOCCO 2230a_103437854208_200000210301 [0,2,0,0,0,0|1,0,0]=3 7374 B13R0.336 CNCCOCCOCCOCCO 2230a_106832991635_100010166562 [0,2,0,0,0,0|1,0,0]=3 7375 B13R0.336 CNCCOCCOCCOCCO 34a_100000228057_100000692535 [0,2,0,0,0,0|1,0,0]=3 7376 B13R0.336 CNCCOCCOCCOCCO 34a_100102657272_100010166562 [0,2,0,0,0,0|1,0,0]=3 7377 B13R0.336 CNCCOCCOCCOCCO 34a_103437854208_200000210301 [0,2,0,0,0,0|1,0,0]=3 7378 B13R0.336 CNCCOCCOCCOCCO 34a_200014138305_100000211926 [0,2,0,0,0,0|1,0,0]=3 7379 B13R0.336 CNCCOCCOCCOCCO 7a_106832991635_100010166562 [0,2,0,0,0,0|1,0,0]=3 7380 B13R0.336 CNCCOCCOCCOCSC 34a_200014138305_100011218213 [0,2,0,0,0,0|1,0,0]=3 7381 B13R0.336 COCCCCCCNCCCOC 34a_100150723488_100011998445 [0,2,0,0,0,0|2,0,0]=4 7382 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [0,2,0,0,0,0|2,0,0]=4 7383 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [0,2,0,0,0,0|2,0,0]=4 7384 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [0,2,0,0,0,0|2,0,0]=4 7385 B13R0.336 COCCCCCCOCCCCF 34a_100011995726_100011998445 [0,2,0,0,0,0|2,0,0]=4 7386 B13R0.336 COCCCCCCOCCCCF 34a_200012092642_100000729493 [0,2,0,0,0,0|2,0,0]=4 7387 B13R0.336 COCCCCCCOCCCCF 7a_100011995726_100011998445 [0,2,0,0,0,0|2,0,0]=4 7388 B13R0.336 COCCCCCCOCCCCF 7a_200012092642_100000729493 [0,2,0,0,0,0|2,0,0]=4 7389 B13R0.336 COCCCCCCOCCCCI 34a_200012148704_100011998445 [0,2,0,0,0,0|2,0,0]=4 7390 B13R0.336 COCCCCCCOCCCCN 34a_100000750430_100011998445 [0,2,0,0,0,0|2,0,0]=4 7391 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [0,2,0,0,0,0|2,0,0]=4 7392 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [0,2,0,0,0,0|2,0,0]=4 7393 B13R0.336 COCCCCCCOCCCOC 34a_100000740835_100011998445 [0,2,0,0,0,0|1,0,0]=3 7394 B13R0.336 COCCCCCCOCCCOC 34a_200012092642_100000740836 [0,2,0,0,0,0|1,0,0]=3 7395 B13R0.336 COCCCCCCOCCCOC 7a_200012092642_100000740836 [0,2,0,0,0,0|1,0,0]=3 7396 B13R0.336 COCCCCCCOCCCSC 34a_100000690336_100011998445 [0,2,0,0,0,0|1,1,0]=4 7397 B13R0.336 COCCCCCCOCCCSC 7a_100000690336_100011998445 [0,2,0,0,0,0|1,1,0]=4 7398 B13R0.336 COCCCCCCSCCCOC 62a_100000709357_100011998445 [0,2,0,0,0,0|1,1,0]=4 7399 B13R0.336 COCCCCCCSCCCOC 62a_100011998445_100000709357 [0,2,0,0,0,0|1,1,0]=4 7400 B13R0.336 COCCCCCNCCCCOC 2230a_100000747528_100000730899 [0,2,0,0,0,0|2,0,0]=4 7401 B13R0.336 COCCCCCNCCCCOC 34a_100000747528_100000755781 [0,2,0,0,0,0|2,0,0]=4 7402 B13R0.336 COCCCCCNCCOCC#N 2230a_100000747528_200000047693 [0,2,0,0,0,0|2,0,0]=4 7403 B13R0.336 COCCCCCNCCOCCO 2230a_100000747528_100011215305 [0,2,0,0,0,0|2,0,0]=4 7404 B13R0.336 COCCCCCNCCOCCO 34a_100000747528_100000692535 [0,2,0,0,0,0|2,0,0]=4 7405 B13R0.336 COCCCCCNCOCCOC 2230a_100000747528_100000231047 [0,2,0,0,0,0|1,0,0]=3 7406 B13R0.336 COCCCCNCCOCCOC 2230a_100000745349_100000730899 [0,2,0,0,0,0|1,0,0]=3 7407 B13R0.336 COCCCCNCCOCCOC 34a_100000745349_100000755781 [0,2,0,0,0,0|1,0,0]=3 7408 B13R0.336 COCCCCOCCOCCOC 34a_100000740925_100000695917 [0,2,0,0,0,0|0,0,0]=2 7409 B13R0.336 COCCCCOCCOCCOC 34a_100011215163_100000755781 [0,2,0,0,0,0|0,0,0]=2 7410 B13R0.336 COCCCCOCCOCCOC 7a_100011215163_100000730899 [0,2,0,0,0,0|0,0,0]=2 7411 B13R0.336 COCCCCSCCOCCOC 62a_100000695917_100000730899 [0,2,0,0,0,0|0,1,0]=3 7412 B13R0.336 COCCCCSCCOCCOC 62a_100000730899_100000695917 [0,2,0,0,0,0|0,1,0]=3 7413 B13R0.336 COCCCNCCCOCCOC 2230a_100000206027_100000740836 [0,2,0,0,0,0|1,0,0]=3 7414 B13R0.336 COCCCNCCCOCCOC 34a_100000206027_100000740836 [0,2,0,0,0,0|1,0,0]=3 7415 B13R0.336 COCCCNCCCOCCOC 34a_100150723488_100011216529 [0,2,0,0,0,0|1,0,0]=3 7416 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [0,2,0,0,0,0|2,0,0]=4 7417 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [0,2,0,0,0,0|2,0,0]=4 7418 B13R0.336 COCCCOCCCCCCCN 34a_100011996573_100000740836 [0,2,0,0,0,0|2,0,0]=4 7419 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [0,2,0,0,0,0|2,0,0]=4 7420 B13R0.336 COCCCOCCCOCCC#N 7a_200011215475_100000184422 [0,2,0,0,0,0|2,0,0]=4 7421 B13R0.336 COCCCOCCCOCCCF 34a_200011215475_100011934791 [0,2,0,0,0,0|2,0,0]=4 7422 B13R0.336 COCCCOCCCOCCCF 7a_200011215475_100011934791 [0,2,0,0,0,0|2,0,0]=4 7423 B13R0.336 COCCCOCCCOCCCN 34a_100011310245_100000740836 [0,2,0,0,0,0|2,0,0]=4 7424 B13R0.336 COCCCOCCCOCCCO 34a_200011215475_100000230001 [0,2,0,0,0,0|2,0,0]=4 7425 B13R0.336 COCCCOCCCOCCCO 7a_200011215475_100011215043 [0,2,0,0,0,0|2,0,0]=4 7426 B13R0.336 COCCCOCCCOCCOC 34a_100000740835_100011216529 [0,2,0,0,0,0|0,0,0]=2 7427 B13R0.336 COCCCOCCCOCCOC 34a_200011215475_100011201679 [0,2,0,0,0,0|0,0,0]=2 7428 B13R0.336 COCCCOCCCOCCOC 7a_200011215475_100000233755 [0,2,0,0,0,0|0,0,0]=2 7429 B13R0.336 COCCCOCCCOCCSC 34a_200011215475_100000212216 [0,2,0,0,0,0|0,1,0]=3 7430 B13R0.336 COCCCOCCCOCCSC 7a_200011215475_100000212216 [0,2,0,0,0,0|0,1,0]=3 7431 B13R0.336 COCCCSCCCOCCOC 62a_100000709357_100011216529 [0,2,0,0,0,0|0,1,0]=3 7432 B13R0.336 COCCCSCCCOCCOC 62a_100011216529_100000709357 [0,2,0,0,0,0|0,1,0]=3 7433 B13R0.336 COCCNCCOCCOCCO 2230a_100000209980_100000032323 [0,2,0,0,0,0|1,0,0]=3 7434 B13R0.336 COCCNCCOCCOCCO 2230a_100011998139_100011201679 [0,2,0,0,0,0|1,0,0]=3 7435 B13R0.336 COCCNCCOCCOCCO 34a_100011998139_100011201679 [0,2,0,0,0,0|1,0,0]=3 7436 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [0,2,0,0,0,0|2,0,0]=4 7437 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [0,2,0,0,0,0|2,0,0]=4 7438 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [0,2,0,0,0,0|2,0,0]=4 7439 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [0,2,0,0,0,0|2,0,0]=4 7440 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [0,2,0,0,0,0|2,0,0]=4 7441 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [0,2,0,0,0,0|2,0,0]=4 7442 B13R0.336 COCCOCCCCCNCCN 34a_103619048469_100011201679 [0,2,0,0,0,0|2,0,0]=4 7443 B13R0.336 COCCOCCCNCCCCF 2230a_100000206027_100000729493 [0,2,0,0,0,0|2,0,0]=4 7444 B13R0.336 COCCOCCCNCCCCF 34a_100000206027_100000729493 [0,2,0,0,0,0|2,0,0]=4 7445 B13R0.336 COCCOCCCNCCCCO 2230a_100000206027_100000210776 [0,2,0,0,0,0|2,0,0]=4 7446 B13R0.336 COCCOCCCNCCCCO 2230a_100000750430_100011216529 [0,2,0,0,0,0|2,0,0]=4 7447 B13R0.336 COCCOCCCNCCCCO 34a_100000206027_100011216708 [0,2,0,0,0,0|2,0,0]=4 7448 B13R0.336 COCCOCCCNCCCCO 34a_100000750430_100011216529 [0,2,0,0,0,0|2,0,0]=4 7449 B13R0.336 COCCOCCCNCCCSC 2230a_100000749238_100011216529 [0,2,0,0,0,0|1,1,0]=4 7450 B13R0.336 COCCOCCCOCC#CCCl 34a_200000047223_100011216529 [0,2,0,0,0,0|1,0,1]=4 7451 B13R0.336 COCCOCCCOCCCCBr 34a_100011216708_100011216529 [0,2,0,0,0,0|1,0,0]=3 7452 B13R0.336 COCCOCCCOCCCCCl 34a_100000210776_100011216529 [0,2,0,0,0,0|1,0,0]=3 7453 B13R0.336 COCCOCCCOCCCCCl 7a_100000210776_100011216529 [0,2,0,0,0,0|1,0,0]=3 7454 B13R0.336 COCCOCCCOCCCCF 34a_100011995726_100011216529 [0,2,0,0,0,0|1,0,0]=3 7455 B13R0.336 COCCOCCCOCCCCF 7a_100011995726_100011216529 [0,2,0,0,0,0|1,0,0]=3 7456 B13R0.336 COCCOCCCOCCCCI 34a_200012148704_100011216529 [0,2,0,0,0,0|1,0,0]=3 7457 B13R0.336 COCCOCCCOCCCCN 34a_100000750430_100011216529 [0,2,0,0,0,0|1,0,0]=3 7458 B13R0.336 COCCOCCCOCCCSC 34a_100000690336_100011216529 [0,2,0,0,0,0|0,1,0]=3 7459 B13R0.336 COCCOCCCOCCCSC 7a_100000690336_100011216529 [0,2,0,0,0,0|0,1,0]=3 7460 B13R0.336 COCCOCCCSCCCCF 62a_100000729493_100011216529 [0,2,0,0,0,0|1,1,0]=4 7461 B13R0.336 COCCOCCCSCCCCF 62a_100011216529_100000729493 [0,2,0,0,0,0|1,1,0]=4 7462 B13R0.336 COCCOCCCSCCCCO 62a_100000210776_100011216529 [0,2,0,0,0,0|1,1,0]=4 7463 B13R0.336 COCCOCCCSCCCCO 62a_100011216529_100000210776 [0,2,0,0,0,0|1,1,0]=4 7464 B13R0.336 COCCOCCNCCCCC#N 2230a_100000745349_100000211819 [0,2,0,0,0,0|2,0,0]=4 7465 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [0,2,0,0,0,0|2,0,0]=4 7466 B13R0.336 COCCOCCNCCCCCF 2230a_100000745349_100000729378 [0,2,0,0,0,0|2,0,0]=4 7467 B13R0.336 COCCOCCNCCCCCF 34a_100000745349_100000729378 [0,2,0,0,0,0|2,0,0]=4 7468 B13R0.336 COCCOCCNCCCCCO 2230a_100000745349_100000746330 [0,2,0,0,0,0|2,0,0]=4 7469 B13R0.336 COCCOCCNCCCCCO 2230a_100000762737_100000695917 [0,2,0,0,0,0|2,0,0]=4 7470 B13R0.336 COCCOCCNCCCCCO 34a_100000745349_100000746330 [0,2,0,0,0,0|2,0,0]=4 7471 B13R0.336 COCCOCCNCCCCCO 34a_100000762737_100000695917 [0,2,0,0,0,0|2,0,0]=4 7472 B13R0.336 COCCOCCNCCOCC#N 2230a_100000745349_200000047693 [0,2,0,0,0,0|1,0,0]=3 7473 B13R0.336 COCCOCCNCCOCCO 2230a_100000211614_100000695917 [0,2,0,0,0,0|1,0,0]=3 7474 B13R0.336 COCCOCCNCCOCCO 2230a_100000745349_100011215305 [0,2,0,0,0,0|1,0,0]=3 7475 B13R0.336 COCCOCCNCCOCCO 34a_100000211614_100000695917 [0,2,0,0,0,0|1,0,0]=3 7476 B13R0.336 COCCOCCNCCOCCO 34a_100000745349_100000692535 [0,2,0,0,0,0|1,0,0]=3 7477 B13R0.336 COCCOCCNCCSCCO 2230a_100011219999_100000695917 [0,2,0,0,0,0|1,1,0]=4 7478 B13R0.336 COCCOCCNCOCCOC 2230a_100000745349_100000231047 [0,2,0,0,0,0|0,0,0]=2 7479 B13R0.336 COCCOCCOCCCCC#N 7a_100011215163_100000211819 [0,2,0,0,0,0|1,0,0]=3 7480 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [0,2,0,0,0,0|1,0,0]=3 7481 B13R0.336 COCCOCCOCCCCCBr 34a_100000746331_100000695917 [0,2,0,0,0,0|1,0,0]=3 7482 B13R0.336 COCCOCCOCCCCCBr 7a_100000746331_100000695917 [0,2,0,0,0,0|1,0,0]=3 7483 B13R0.336 COCCOCCOCCCCCCl 34a_100000746330_100000695917 [0,2,0,0,0,0|1,0,0]=3 7484 B13R0.336 COCCOCCOCCCCCCl 7a_100000746330_100000695917 [0,2,0,0,0,0|1,0,0]=3 7485 B13R0.336 COCCOCCOCCCCCF 34a_100011215163_100000729378 [0,2,0,0,0,0|1,0,0]=3 7486 B13R0.336 COCCOCCOCCCCCF 7a_100011215163_100000729378 [0,2,0,0,0,0|1,0,0]=3 7487 B13R0.336 COCCOCCOCCCCCI 34a_200012148887_100000695917 [0,2,0,0,0,0|1,0,0]=3 7488 B13R0.336 COCCOCCOCCCCCI 7a_200012148887_100000695917 [0,2,0,0,0,0|1,0,0]=3 7489 B13R0.336 COCCOCCOCCCCCN 34a_100000762737_100000695917 [0,2,0,0,0,0|1,0,0]=3 7490 B13R0.336 COCCOCCOCCCCCO 34a_100011215163_100000746330 [0,2,0,0,0,0|1,0,0]=3 7491 B13R0.336 COCCOCCOCCCCCO 7a_100011215163_100000746330 [0,2,0,0,0,0|1,0,0]=3 7492 B13R0.336 COCCOCCOCCCCSC 34a_100011217163_100000695917 [0,2,0,0,0,0|0,1,0]=3 7493 B13R0.336 COCCOCCOCCCCSC 7a_100011217163_100000695917 [0,2,0,0,0,0|0,1,0]=3 7494 B13R0.336 COCCOCCOCCNCC#N 2230a_100012028300_100011215382 [0,2,0,0,0,0|1,0,0]=3 7495 B13R0.336 COCCOCCOCCNCC=O 2230a_100012028300_200015260668 [0,2,0,0,0,0|1,0,0]=3 7496 B13R0.336 COCCOCCOCCNCC=O 34a_100012028300_200009817547 [0,2,0,0,0,0|1,0,0]=3 7497 B13R0.336 COCCOCCOCCNCCF 2230a_100012028300_100011217306 [0,2,0,0,0,0|1,0,0]=3 7498 B13R0.336 COCCOCCOCCNCCF 34a_100000724931_100013367474 [0,2,0,0,0,0|1,0,0]=3 7499 B13R0.336 COCCOCCOCCNCCF 34a_100012028300_100011217306 [0,2,0,0,0,0|1,0,0]=3 7500 B13R0.336 COCCOCCOCCNCCO 2230a_100012028300_100000211926 [0,2,0,0,0,0|1,0,0]=3 7501 B13R0.336 COCCOCCOCCNCCO 2230a_100016997473_100013367474 [0,2,0,0,0,0|1,0,0]=3 7502 B13R0.336 COCCOCCOCCNCCO 34a_100012028300_100000211926 [0,2,0,0,0,0|1,0,0]=3 7503 B13R0.336 COCCOCCOCCNCCO 34a_100016990907_100013367474 [0,2,0,0,0,0|1,0,0]=3 7504 B13R0.336 COCCOCCOCCNCOC 2230a_100012028300_100000766300 [0,2,0,0,0,0|0,0,0]=2 7505 B13R0.336 COCCOCCOCCNCSC 2230a_100012028300_100011218213 [0,2,0,0,0,0|0,1,0]=3 7506 B13R0.336 COCCOCCOCCNCSC 34a_100012028300_100011218213 [0,2,0,0,0,0|0,1,0]=3 7507 B13R0.336 COCCOCCOCCOCC#N 7a_100000688194_100011215382 [0,2,0,0,0,0|0,0,0]=2 7508 B13R0.336 COCCOCCOCCOCC#N 7a_100011215163_200000047693 [0,2,0,0,0,0|0,0,0]=2 7509 B13R0.336 COCCOCCOCCOCC=O 34a_100000688194_200009817547 [0,2,0,0,0,0|0,0,0]=2 7510 B13R0.336 COCCOCCOCCOCC=O 7a_100000688194_200015260668 [0,2,0,0,0,0|0,0,0]=2 7511 B13R0.336 COCCOCCOCCOCCBr 34a_100000211926_100013367474 [0,2,0,0,0,0|0,0,0]=2 7512 B13R0.336 COCCOCCOCCOCCBr 34a_100000692535_100000695917 [0,2,0,0,0,0|0,0,0]=2 7513 B13R0.336 COCCOCCOCCOCCBr 34a_100010132935_200000210301 [0,2,0,0,0,0|0,0,0]=2 7514 B13R0.336 COCCOCCOCCOCCBr 34a_100010132937_100011201679 [0,2,0,0,0,0|0,0,0]=2 7515 B13R0.336 COCCOCCOCCOCCBr 7a_100000692535_100000695917 [0,2,0,0,0,0|0,0,0]=2 7516 B13R0.336 COCCOCCOCCOCCBr 7a_100010132935_200000210301 [0,2,0,0,0,0|0,0,0]=2 7517 B13R0.336 COCCOCCOCCOCCBr 7a_100010132937_100000233755 [0,2,0,0,0,0|0,0,0]=2 7518 B13R0.336 COCCOCCOCCOCCCl 34a_100000032323_100011201679 [0,2,0,0,0,0|0,0,0]=2 7519 B13R0.336 COCCOCCOCCOCCCl 34a_100010166562_200000210301 [0,2,0,0,0,0|0,0,0]=2 7520 B13R0.336 COCCOCCOCCOCCCl 34a_100011215305_100000695917 [0,2,0,0,0,0|0,0,0]=2 7521 B13R0.336 COCCOCCOCCOCCCl 7a_100000032323_100000233755 [0,2,0,0,0,0|0,0,0]=2 7522 B13R0.336 COCCOCCOCCOCCCl 7a_100010166562_200000210301 [0,2,0,0,0,0|0,0,0]=2 7523 B13R0.336 COCCOCCOCCOCCCl 7a_100011215305_100000695917 [0,2,0,0,0,0|0,0,0]=2 7524 B13R0.336 COCCOCCOCCOCCF 34a_100000688194_100011217306 [0,2,0,0,0,0|0,0,0]=2 7525 B13R0.336 COCCOCCOCCOCCF 34a_200015357709_100000695917 [0,2,0,0,0,0|0,0,0]=2 7526 B13R0.336 COCCOCCOCCOCCF 7a_100000688194_100011217306 [0,2,0,0,0,0|0,0,0]=2 7527 B13R0.336 COCCOCCOCCOCCF 7a_200015357709_100000695917 [0,2,0,0,0,0|0,0,0]=2 7528 B13R0.336 COCCOCCOCCOCCI 34a_100012149058_100000695917 [0,2,0,0,0,0|0,0,0]=2 7529 B13R0.336 COCCOCCOCCOCCI 7a_100012149058_100000695917 [0,2,0,0,0,0|0,0,0]=2 7530 B13R0.336 COCCOCCOCCOCCN 34a_100000210304_100013367474 [0,2,0,0,0,0|0,0,0]=2 7531 B13R0.336 COCCOCCOCCOCCN 34a_100000211614_100000695917 [0,2,0,0,0,0|0,0,0]=2 7532 B13R0.336 COCCOCCOCCOCCN 34a_100011998139_100011201679 [0,2,0,0,0,0|0,0,0]=2 7533 B13R0.336 COCCOCCOCCOCCN 34a_103437854208_200000210301 [0,2,0,0,0,0|0,0,0]=2 7534 B13R0.336 COCCOCCOCCOCCO 34a_100000210237_100000032323 [0,2,0,0,0,0|0,0,0]=2 7535 B13R0.336 COCCOCCOCCOCCO 34a_100000688194_100000211926 [0,2,0,0,0,0|0,0,0]=2 7536 B13R0.336 COCCOCCOCCOCCO 34a_100011215163_100000692535 [0,2,0,0,0,0|0,0,0]=2 7537 B13R0.336 COCCOCCOCCOCCO 34a_100138415774_100010166562 [0,2,0,0,0,0|0,0,0]=2 7538 B13R0.336 COCCOCCOCCOCCO 7a_100000688194_100000211926 [0,2,0,0,0,0|0,0,0]=2 7539 B13R0.336 COCCOCCOCCOCCO 7a_100011215163_100011215305 [0,2,0,0,0,0|0,0,0]=2 7540 B13R0.336 COCCOCCOCCOCSC 34a_100000688194_100011218213 [0,2,0,0,0,0|0,0,0]=2 7541 B13R0.336 COCCOCCOCCSCC#N 62a_100011215382_100013367474 [0,2,0,0,0,0|0,1,0]=3 7542 B13R0.336 COCCOCCOCCSCC#N 62a_100013367474_100011215382 [0,2,0,0,0,0|0,1,0]=3 7543 B13R0.336 COCCOCCOCCSCC=O 62a_100013367474_200015260668 [0,2,0,0,0,0|0,1,0]=3 7544 B13R0.336 COCCOCCOCCSCC=O 62a_200015260668_100013367474 [0,2,0,0,0,0|0,1,0]=3 7545 B13R0.336 COCCOCCOCCSCCF 62a_100011217306_100013367474 [0,2,0,0,0,0|0,1,0]=3 7546 B13R0.336 COCCOCCOCCSCCF 62a_100013367474_100011217306 [0,2,0,0,0,0|0,1,0]=3 7547 B13R0.336 COCCOCCOCCSCCO 62a_100000211926_100013367474 [0,2,0,0,0,0|0,1,0]=3 7548 B13R0.336 COCCOCCOCCSCCO 62a_100013367474_100000211926 [0,2,0,0,0,0|0,1,0]=3 7549 B13R0.336 COCCOCCOCCSCOC 62a_100000766300_100013367474 [0,2,0,0,0,0|0,0,0]=2 7550 B13R0.336 COCCOCCOCCSCOC 62a_100013367474_100000766300 [0,2,0,0,0,0|0,0,0]=2 7551 B13R0.336 COCCOCCOCCSCSC 62a_100011218213_100013367474 [0,2,0,0,0,0|0,1,0]=3 7552 B13R0.336 COCCOCCOCCSCSC 62a_100013367474_100011218213 [0,2,0,0,0,0|0,1,0]=3 7553 B13R0.336 COCCOCCSCCCCC#N 62a_100000695917_100000211819 [0,2,0,0,0,0|1,1,0]=4 7554 B13R0.336 COCCOCCSCCCCC#N 62a_100011219923_100000695917 [0,2,0,0,0,0|1,1,0]=4 7555 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [0,2,0,0,0,0|1,1,0]=4 7556 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [0,2,0,0,0,0|1,1,0]=4 7557 B13R0.336 COCCOCCSCCCCCF 62a_100000695917_100000729378 [0,2,0,0,0,0|1,1,0]=4 7558 B13R0.336 COCCOCCSCCCCCF 62a_100000729378_100000695917 [0,2,0,0,0,0|1,1,0]=4 7559 B13R0.336 COCCOCCSCCCCCO 62a_100000695917_100000746330 [0,2,0,0,0,0|1,1,0]=4 7560 B13R0.336 COCCOCCSCCCCCO 62a_100000746330_100000695917 [0,2,0,0,0,0|1,1,0]=4 7561 B13R0.336 COCCOCCSCCOCC#N 62a_100000695917_200000047693 [0,2,0,0,0,0|0,1,0]=3 7562 B13R0.336 COCCOCCSCCOCC#N 62a_200000047693_100000695917 [0,2,0,0,0,0|0,1,0]=3 7563 B13R0.336 COCCOCCSCCOCCO 62a_100000695917_100011215305 [0,2,0,0,0,0|0,1,0]=3 7564 B13R0.336 COCCOCCSCCOCCO 62a_100011215305_100000695917 [0,2,0,0,0,0|0,1,0]=3 7565 B13R0.336 COCCOCCSCOCCOC 62a_100000231047_100000695917 [0,2,0,0,0,0|0,0,0]=2 7566 B13R0.336 COCCOCCSCOCCOC 62a_100000695917_100000231047 [0,2,0,0,0,0|0,0,0]=2 7567 B13R0.336 COCCOCNCCCCCCO 2230a_100000686447_100000231047 [0,2,0,0,0,0|2,0,0]=4 7568 B13R0.336 COCCOCSCCCCCCF 62a_100000231047_100015922095 [0,2,0,0,0,0|2,0,0]=4 7569 B13R0.336 COCCOCSCCCCCCF 62a_100015922095_100000231047 [0,2,0,0,0,0|2,0,0]=4 7570 B13R0.336 COCCOCSCCCCCCO 62a_100000231047_100000766143 [0,2,0,0,0,0|2,0,0]=4 7571 B13R0.336 COCCOCSCCCCCCO 62a_100000766143_100000231047 [0,2,0,0,0,0|2,0,0]=4 7572 B13R0.336 COCCSCCOCCOCCO 62a_100000032323_100000233755 [0,2,0,0,0,0|0,1,0]=3 7573 B13R0.336 COCCSCCOCCOCCO 62a_100000233755_100000032323 [0,2,0,0,0,0|0,1,0]=3 7574 B13R0.336 COCNCCCOCCOCCO 2230a_100011996194_100000766300 [0,2,0,0,0,0|2,0,0]=4 7575 B13R0.336 CSCCNCCOCCOCCO 2230a_100011998139_100000751147 [0,2,0,0,0,0|1,1,0]=4 7576 B13R0.336 CSCCNCCOCCOCCO 2230a_100020590264_100000032323 [0,2,0,0,0,0|1,1,0]=4 7577 B13R0.336 CSCCNCCOCCOCCO 34a_100011998139_100000212216 [0,2,0,0,0,0|1,1,0]=4 7578 B13R0.336 CSCCOCCOCCOCCBr 34a_100010132937_100000212216 [0,2,0,0,0,0|0,1,0]=3 7579 B13R0.336 CSCCOCCOCCOCCBr 7a_100010132937_100000212216 [0,2,0,0,0,0|0,1,0]=3 7580 B13R0.336 CSCCOCCOCCOCCCl 34a_100000032323_100000212216 [0,2,0,0,0,0|0,1,0]=3 7581 B13R0.336 CSCCOCCOCCOCCCl 7a_100000032323_100000212216 [0,2,0,0,0,0|0,1,0]=3 7582 B13R0.336 CSCCOCCOCCOCCN 34a_100011998139_100000212216 [0,2,0,0,0,0|0,1,0]=3 7583 B13R0.336 CSCCOCCOCCOCCO 34a_100000230434_100000032323 [0,2,0,0,0,0|0,1,0]=3 7584 B13R0.336 CSCCOCCOCCOCCO 62a_100010166562_200000210301 [0,2,0,0,0,0|0,1,0]=3 7585 B13R0.336 CSCCOCCOCCOCCO 62a_200000210301_100010166562 [0,2,0,0,0,0|0,1,0]=3 7586 B13R0.336 CSCCOCCOCCOCCO 7a_100000230434_100000032323 [0,2,0,0,0,0|0,1,0]=3 7587 B13R0.336 CSCCSCCOCCOCCO 62a_100000032323_100000751147 [0,2,0,0,0,0|0,2,0]=4 7588 B13R0.336 CSCCSCCOCCOCCO 62a_100000212216_100000032323 [0,2,0,0,0,0|0,2,0]=4 7589 B13R0.336 CSCOCCOCCOCCCN 34a_100011996194_100011218213 [0,2,0,0,0,0|2,0,0]=4 7590 B13R0.336 FCCCOCCOCCOCCBr 34a_100010132937_100011934791 [0,2,0,0,0,0|2,0,0]=4 7591 B13R0.336 FCCCOCCOCCOCCBr 7a_100010132937_100011934791 [0,2,0,0,0,0|2,0,0]=4 7592 B13R0.336 FCCCOCCOCCOCCCl 34a_100000032323_100011934791 [0,2,0,0,0,0|2,0,0]=4 7593 B13R0.336 FCCCOCCOCCOCCCl 7a_100000032323_100011934791 [0,2,0,0,0,0|2,0,0]=4 7594 B13R0.336 N#CCCOCCOCCOCCBr 7a_100010132937_100000184422 [0,2,0,0,0,0|2,0,0]=4 7595 B13R0.336 N#CCCOCCOCCOCCCl 7a_100000032323_100000184422 [0,2,0,0,0,0|2,0,0]=4 7596 B13R0.336 NCCCOCCOCCOCC=O 34a_100011996194_200009817547 [0,2,0,0,0,0|2,0,0]=4 7597 B13R0.336 NCCCOCCOCCOCCF 34a_100011996194_100011217306 [0,2,0,0,0,0|2,0,0]=4 7598 B13R0.336 NCCCOCCOCCOCCO 34a_100000182051_100000032323 [0,2,0,0,0,0|2,0,0]=4 7599 B13R0.336 NCCCOCCOCCOCCO 34a_100011996194_100000211926 [0,2,0,0,0,0|2,0,0]=4 7600 B13R0.336 NCCOCCOCCOCCCF 34a_100011998139_100011934791 [0,2,0,0,0,0|2,0,0]=4 7601 B13R0.336 NCCOCCOCCOCCCO 34a_100011998139_100000230001 [0,2,0,0,0,0|2,0,0]=4 7602 B13R0.336 NOCCOCCOCCOCCO 34a_100000700252_100000032323 [0,2,0,0,0,0|1,0,0]=3 7603 B13R0.336 OCCCOCCOCCOCCBr 34a_100010132937_100000230001 [0,2,0,0,0,0|2,0,0]=4 7604 B13R0.336 OCCCOCCOCCOCCBr 7a_100010132937_100011215043 [0,2,0,0,0,0|2,0,0]=4 7605 B13R0.336 OCCCOCCOCCOCCCl 34a_100000032323_100000230001 [0,2,0,0,0,0|2,0,0]=4 7606 B13R0.336 OCCCOCCOCCOCCCl 7a_100000032323_100011215043 [0,2,0,0,0,0|2,0,0]=4 7607 B13R0.336 OCCOCCOCCOCCCBr 34a_100011217188_100000032323 [0,2,0,0,0,0|2,0,0]=4 7608 B13R0.336 OCCOCCOCCOCCCCl 34a_100000230001_100000032323 [0,2,0,0,0,0|2,0,0]=4 7609 B13R0.336 OCCOCCOCCOCCCF 34a_100000759539_100000032323 [0,2,0,0,0,0|2,0,0]=4 7610 B13R0.336 [13CH3]NCCOCCOCCOCCO 2230a_103437854208_200025704644 [0,2,0,0,0,0|1,0,0]=3 7611 B13R0.336 [13CH3]NCCOCCOCCOCCO 34a_103437854208_200025704644 [0,2,0,0,0,0|1,0,0]=3 7612 B13R0.336 [13CH3]OCCOCCOCCOCCBr 34a_100010132935_200025704644 [0,2,0,0,0,0|0,0,0]=2 7613 B13R0.336 [13CH3]OCCOCCOCCOCCBr 7a_100010132935_200025704644 [0,2,0,0,0,0|0,0,0]=2 7614 B13R0.336 [13CH3]OCCOCCOCCOCCCl 34a_100010166562_200025704644 [0,2,0,0,0,0|0,0,0]=2 7615 B13R0.336 [13CH3]OCCOCCOCCOCCCl 7a_100010166562_200025704644 [0,2,0,0,0,0|0,0,0]=2 7616 B13R0.336 [13CH3]OCCOCCOCCOCCN 34a_103437854208_200025704644 [0,2,0,0,0,0|0,0,0]=2 7617 B13R0.336 [13CH3]SCCOCCOCCOCCO 62a_100010166562_200025704644 [0,2,0,0,0,0|0,1,0]=3 7618 B13R0.336 [13CH3]SCCOCCOCCOCCO 62a_200025704644_100010166562 [0,2,0,0,0,0|0,1,0]=3 7619 B13R0.338 C/C=C/CCOCC(=O)OCCOC 34a_100016278192_200000040189 [0,2,0,0,0,0|1,0,1]=4 7620 B13R0.338 C=COCCC(=O)CCOCCOC 1458a_100000745395_100000039644 [0,2,0,0,0,0|1,0,1]=4 7621 B13R0.338 C=COCCOCC(=O)OCCOC 34a_100000033082_200000040189 [0,2,0,0,0,0|0,0,2]=4 7622 B13R0.338 CC#CCCOCC(=O)OCCOC 34a_100000750427_200000040189 [0,2,0,0,0,0|1,0,1]=4 7623 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000212188_100000695917 [0,2,0,0,0,0|2,0,0]=4 7624 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000745395_100000210326 [0,2,0,0,0,0|2,0,0]=4 7625 B13R0.338 CCCCCC(C)NCOCCOC 2230a_100000211957_100000231047 [0,2,0,0,0,0|2,0,0]=4 7626 B13R0.338 CCCCCC(C)SCOCCOC 62a_100000231047_200011218191 [0,2,0,0,0,0|2,0,0]=4 7627 B13R0.338 CCCCCC(C)SCOCCOC 62a_200011218191_100000231047 [0,2,0,0,0,0|2,0,0]=4 7628 B13R0.338 CCCCCCCC(C)OCCOC 34a_100000210237_200011218727 [0,2,0,0,0,0|2,0,0]=4 7629 B13R0.338 CCCCCCCC(C)OCCOC 34a_200011215852_100011201679 [0,2,0,0,0,0|2,0,0]=4 7630 B13R0.338 CCCCCCCC(C)OCCOC 7a_200011215852_100000233755 [0,2,0,0,0,0|2,0,0]=4 7631 B13R0.338 CCCCCN(C)CCOCCOC 2230a_100000223495_100000695917 [0,2,0,0,0,0|2,0,0]=4 7632 B13R0.338 CCCCCN(C)CCOCCOC 269982a_100000223495_100000695917 [0,2,0,0,0,0|2,0,0]=4 7633 B13R0.338 CCCCCOCC(=O)OCCOC 34a_100000210253_200000040189 [0,2,0,0,0,0|1,0,1]=4 7634 B13R0.338 CCCCCOCC(=O)OCCOC 7a_100000210253_200000040189 [0,2,0,0,0,0|1,0,1]=4 7635 B13R0.338 CCCCNC(=O)CCOCCOC 11a_100000102301_100000745395 [0,2,0,0,0,0|2,0,0]=4 7636 B13R0.338 CCCCNC(=O)CCOCCOC 1626a_100000102301_100000745395 [0,2,0,0,0,0|2,0,0]=4 7637 B13R0.338 CCCCNC(=O)CCOCCOC 240690a_100000102301_100000745395 [0,2,0,0,0,0|2,0,0]=4 7638 B13R0.338 CCCCNC(=O)CCOCCOC 527a_100000102301_100000745395 [0,2,0,0,0,0|2,0,0]=4 7639 B13R0.338 CCCCOC(=O)COCCCOC 34a_100000740835_100000211628 [0,2,0,0,0,0|1,0,1]=4 7640 B13R0.338 CCCCOC(=O)COCCOCC 34a_100000210136_100000211628 [0,2,0,0,0,0|1,0,1]=4 7641 B13R0.338 CCCCOC(=O)COCCOCC 7a_100000210136_100000211628 [0,2,0,0,0,0|1,0,1]=4 7642 B13R0.338 CCCCOCCC(=O)CCCOC 1458a_100000741012_100000743108 [0,2,0,0,0,0|2,0,0]=4 7643 B13R0.338 CCCCOCCC(=O)CCOCC 1458a_100000749530_100000743108 [0,2,0,0,0,0|2,0,0]=4 7644 B13R0.338 CCCCOCCN(C)CCCOC 2230a_100000224831_100000743108 [0,2,0,0,0,0|2,0,0]=4 7645 B13R0.338 CCCCOCCN(C)CCCOC 269982a_100000224831_100000743108 [0,2,0,0,0,0|2,0,0]=4 7646 B13R0.338 CCCCOCOC(C)CCCOC 34a_200011539412_100011995733 [0,2,0,0,0,0|2,0,0]=4 7647 B13R0.338 CCCOCC(=O)CCOCCOC 1458a_100000745993_100000695917 [0,2,0,0,0,0|2,0,0]=4 7648 B13R0.338 CCCSCC(=O)CCOCCOC 1458a_100000217233_100000695917 [0,2,0,0,0,0|2,0,0]=4 7649 B13R0.338 CCOCCC(=O)CCCCCOC 1458a_100011935119_100011215890 [0,2,0,0,0,0|2,0,0]=4 7650 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000745395_100011215890 [0,2,0,0,0,0|1,0,0]=3 7651 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000749530_100000695917 [0,2,0,0,0,0|1,0,0]=3 7652 B13R0.338 CCOCCNCC(=O)OCCOC 2230a_102516460346_200000040189 [0,2,0,0,0,0|1,0,1]=4 7653 B13R0.338 CCOCCNCC(=O)OCCOC 34a_102516460346_200000040189 [0,2,0,0,0,0|1,0,1]=4 7654 B13R0.338 CCOCCOCC(=O)NCCOC 34a_100000210136_100000183275 [0,2,0,0,0,0|1,0,1]=4 7655 B13R0.338 CCOCCOCC(=O)NCCOC 7a_100000210136_100000183275 [0,2,0,0,0,0|1,0,1]=4 7656 B13R0.338 CCOCCOCC(=O)OCCOC 34a_100000210136_200000040189 [0,2,0,0,0,0|0,0,1]=3 7657 B13R0.338 CCOCCOCC(=O)OCCOC 7a_100000210136_200000040189 [0,2,0,0,0,0|0,0,1]=3 7658 B13R0.338 CCOCCSCC(=O)OCCOC 62a_100000210147_200000040189 [0,2,0,0,0,0|0,1,1]=4 7659 B13R0.338 CCOCCSCC(=O)OCCOC 62a_200000040189_100011215890 [0,2,0,0,0,0|0,1,1]=4 7660 B13R0.338 CCSCCC(=O)CCOCCOC 1458a_100000230768_100000695917 [0,2,0,0,0,0|1,1,0]=4 7661 B13R0.338 CCSCCC(=O)CCOCCOC 1458a_100000745395_100000757381 [0,2,0,0,0,0|1,1,0]=4 7662 B13R0.338 CCSCCOCC(=O)OCCOC 34a_100000212035_200000040189 [0,2,0,0,0,0|0,1,1]=4 7663 B13R0.338 CCSCCOCC(=O)OCCOC 7a_100000212035_200000040189 [0,2,0,0,0,0|0,1,1]=4 7664 B13R0.338 CNCCCOCC(=O)OCCOC 34a_100000213112_200000040189 [0,2,0,0,0,0|1,0,1]=4 7665 B13R0.338 COCC=CC(=O)CCOCCOC 1458a_100016285016_100000695917 [0,2,0,0,0,0|1,0,1]=4 7666 B13R0.338 COCCCC(=O)CCOCCOC 1458a_100000741012_100000695917 [0,2,0,0,0,0|1,0,0]=3 7667 B13R0.338 COCCCC(=O)CCOCCOC 1458a_100000745395_100000740836 [0,2,0,0,0,0|1,0,0]=3 7668 B13R0.338 COCCCCCC(=O)CCCOC 1458a_100011935119_100000740836 [0,2,0,0,0,0|2,0,0]=4 7669 B13R0.338 COCCCCCC(=O)NCCOC 1626a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 7670 B13R0.338 COCCCCCC(=O)NCCOC 240690a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 7671 B13R0.338 COCCCCCC(=O)NCCOC 527a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 7672 B13R0.338 COCCCCOC(C)CCCOC 34a_200011539412_100000755781 [0,2,0,0,0,0|2,0,0]=4 7673 B13R0.338 COCCCCOC(C)CCCOC 7a_200011539412_100000730899 [0,2,0,0,0,0|2,0,0]=4 7674 B13R0.338 COCCCN(C)CCOCCOC 2230a_100000224831_100000695917 [0,2,0,0,0,0|1,0,0]=3 7675 B13R0.338 COCCCN(C)CCOCCOC 269982a_100000224831_100000695917 [0,2,0,0,0,0|1,0,0]=3 7676 B13R0.338 COCCCNCC(=O)OCCOC 34a_100150723488_200000040189 [0,2,0,0,0,0|1,0,1]=4 7677 B13R0.338 COCCCOCC(=O)NCCOC 34a_100000740835_100000183275 [0,2,0,0,0,0|1,0,1]=4 7678 B13R0.338 COCCCOCC(=O)OCCOC 34a_100000740835_200000040189 [0,2,0,0,0,0|0,0,1]=3 7679 B13R0.338 COCCCSCC(=O)OCCOC 62a_100000709357_200000040189 [0,2,0,0,0,0|0,1,1]=4 7680 B13R0.338 COCCCSCC(=O)OCCOC 62a_200000040189_100000709357 [0,2,0,0,0,0|0,1,1]=4 7681 B13R0.338 COCCNC(=O)CCOCCOC 1626a_100000209980_100000745395 [0,2,0,0,0,0|1,0,0]=3 7682 B13R0.338 COCCNC(=O)CCOCCOC 240690a_100000209980_100000745395 [0,2,0,0,0,0|1,0,0]=3 7683 B13R0.338 COCCNC(=O)CCOCCOC 527a_100000209980_100000745395 [0,2,0,0,0,0|1,0,0]=3 7684 B13R0.338 COCCOC(=O)COCCCCBr 34a_100011216708_200000040189 [0,2,0,0,0,0|1,0,1]=4 7685 B13R0.338 COCCOC(=O)COCCCCCl 34a_100000210776_200000040189 [0,2,0,0,0,0|1,0,1]=4 7686 B13R0.338 COCCOC(=O)COCCCCCl 7a_100000210776_200000040189 [0,2,0,0,0,0|1,0,1]=4 7687 B13R0.338 COCCOC(=O)COCCCCF 34a_100011995726_200000040189 [0,2,0,0,0,0|1,0,1]=4 7688 B13R0.338 COCCOC(=O)COCCCCF 7a_100011995726_200000040189 [0,2,0,0,0,0|1,0,1]=4 7689 B13R0.338 COCCOC(=O)COCCCCI 34a_200012148704_200000040189 [0,2,0,0,0,0|1,0,1]=4 7690 B13R0.338 COCCOC(=O)COCCCCN 34a_100000750430_200000040189 [0,2,0,0,0,0|1,0,1]=4 7691 B13R0.338 COCCOC(=O)COCCCSC 34a_100000690336_200000040189 [0,2,0,0,0,0|0,1,1]=4 7692 B13R0.338 COCCOC(=O)COCCCSC 7a_100000690336_200000040189 [0,2,0,0,0,0|0,1,1]=4 7693 B13R0.338 COCCOCCC(=O)CCCCF 1458a_100000745395_100000729493 [0,2,0,0,0,0|2,0,0]=4 7694 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000695505_100000695917 [0,2,0,0,0,0|2,0,0]=4 7695 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000745395_100000210776 [0,2,0,0,0,0|2,0,0]=4 7696 B13R0.338 COCCOCCC(=O)CCCSC 1458a_100000173376_100000695917 [0,2,0,0,0,0|1,1,0]=4 7697 B13R0.338 COCCOCCC(=O)NCCSC 11a_100020590264_100000745395 [0,2,0,0,0,0|1,1,0]=4 7698 B13R0.338 COCCOCCC(=O)NCCSC 1626a_100020590264_100000745395 [0,2,0,0,0,0|1,1,0]=4 7699 B13R0.338 COCCOCCC(=O)NCCSC 240690a_100020590264_100000745395 [0,2,0,0,0,0|1,1,0]=4 7700 B13R0.338 COCCOCCC(=O)NCCSC 527a_100020590264_100000745395 [0,2,0,0,0,0|1,1,0]=4 7701 B13R0.338 COCCOCCN(C)CCCCO 2230a_100000717598_100000695917 [0,2,0,0,0,0|2,0,0]=4 7702 B13R0.338 COCCOCCN(C)CCCCO 269982a_100000717598_100000695917 [0,2,0,0,0,0|2,0,0]=4 7703 B13R0.1 C=C(C)CCOC(C)COCCCC 34a_100011217071_100000730704 [0,2,0,0,0,0|2,0,0]=4 7704 B13R0.1 C=C(C)CCOC(C)COCCCC 7a_100011217071_100000730704 [0,2,0,0,0,0|2,0,0]=4 7705 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [0,2,0,0,0,0|2,0,0]=4 7706 B13R0.1 CCCCOCC(C)OCCC(C)C 34a_100011217071_100000210312 [0,2,0,0,0,0|2,0,0]=4 7707 B13R0.1 CCCCOCC(C)OCCC(C)C 7a_100011217071_100000210626 [0,2,0,0,0,0|2,0,0]=4 7708 B13R0.1 CCCCOCC(C)OCCC(C)O 34a_100011217071_100012276601 [0,2,0,0,0,0|2,0,0]=4 7709 B13R0.1 CCCCOCC(C)OCCC(C)O 7a_100011217071_100012276601 [0,2,0,0,0,0|2,0,0]=4 7710 B13R0.1 CCCCOCC(C)OCCN(C)C 7a_100011217071_100000755713 [0,2,0,0,0,0|2,0,0]=4 7711 B13R0.188 C=C(C)CCOCC(=O)OCCOC 34a_100000764851_200000040189 [0,2,0,0,0,0|1,0,1]=4 7712 B13R0.188 COCCOC(=O)COCCC(=O)C 34a_100000759926_200000040189 [0,2,0,0,0,0|1,0,1]=4 7713 B13R0.188 COCCOC(=O)COCCC(=O)C 7a_100000759926_200000040189 [0,2,0,0,0,0|1,0,1]=4 7714 B13R0.188 COCCOC(=O)COCCC(C)Br 34a_100009893172_200000040189 [0,2,0,0,0,0|1,0,1]=4 7715 B13R0.188 COCCOC(=O)COCCC(C)C 34a_100000210254_200000040189 [0,2,0,0,0,0|1,0,1]=4 7716 B13R0.188 COCCOC(=O)COCCC(C)C 7a_100000210254_200000040189 [0,2,0,0,0,0|1,0,1]=4 7717 B13R0.188 COCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200000040189 [0,2,0,0,0,0|1,0,1]=4 7718 B13R0.194 CCCCOC(=O)COCC(C)OC 34a_100000690652_100000211628 [0,2,0,0,0,0|1,0,1]=4 7719 B13R0.194 CC[C@H](C)COCC(=O)OCCOC 7a_100009816381_200000040189 [0,2,0,0,0,0|1,0,1]=4 7720 B13R0.194 COCCNC(=O)COCC(C)OC 34a_100000690652_100000183275 [0,2,0,0,0,0|1,0,1]=4 7721 B13R0.194 COCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_200000040189 [0,2,0,0,0,0|1,0,1]=4 7722 B13R0.194 COCCOC(=O)COCC(C)OC 34a_100000690652_200000040189 [0,2,0,0,0,0|0,0,1]=3 7723 B13R0.195 COCCOC(=O)CC(=O)CCOC 1458a_100000749529_200000040189 [0,2,0,0,0,0|1,0,1]=4 7724 B13R0.195 COCCOC(=O)CN(C)CCOC 2230a_100000743101_200000040189 [0,2,0,0,0,0|1,0,1]=4 7725 B13R0.195 COCCOC(=O)CN(C)CCOC 269982a_100000743101_200000040189 [0,2,0,0,0,0|1,0,1]=4 7726 B13R0.278 C=CC(CCCCCC)OCCOC 34a_200011215977_100011201679 [0,2,0,0,0,0|2,0,0]=4 7727 B13R0.278 C=CC(CCCCCC)OCCOC 7a_200011215977_100000233755 [0,2,0,0,0,0|2,0,0]=4 7728 B13R0.278 CCCCCCC(CC)OCCOC 34a_100011215785_100011201679 [0,2,0,0,0,0|2,0,0]=4 7729 B13R0.278 CCCCCCC(CC)OCCOC 7a_100011215785_100000233755 [0,2,0,0,0,0|2,0,0]=4 7730 B13R0.398 CCCCOC(=O)C(C)OCCOC 34a_100000038973_100011201679 [0,2,0,0,0,0|1,0,1]=4 7731 B13R0.398 CCCCOC(=O)C(C)OCCOC 34a_100000210237_100000759602 [0,2,0,0,0,0|1,0,1]=4 7732 B13R0.398 CCCCOC(=O)C(C)OCCOC 7a_100000038973_100000233755 [0,2,0,0,0,0|1,0,1]=4 7733 B13R0.1129 C#CCCOC(C)(C)COCCOC 7a_100000067319_100000688953 [0,2,0,0,0,0|1,0,1]=4 7734 B13R0.1129 C/C=C/COC(C)(C)COCCOC 7a_100000067319_100102629194 [0,2,0,0,0,0|1,0,1]=4 7735 B13R0.1129 C=CCCOC(C)(C)COCCOC 7a_100000067319_100000754431 [0,2,0,0,0,0|1,0,1]=4 7736 B13R0.1129 CC#CCOC(C)(C)COCCOC 7a_100000067319_100000748600 [0,2,0,0,0,0|1,0,1]=4 7737 B13R0.1129 CC=CCOC(C)(C)COCCOC 7a_100000067319_100000070051 [0,2,0,0,0,0|1,0,1]=4 7738 B13R0.1129 CCCCCCC(C)(C)OCCOC 7a_200011995690_100000233755 [0,2,0,0,0,0|2,0,0]=4 7739 B13R0.1129 CCCCOC(C)(C)COCCOC 7a_100000067319_100000210211 [0,2,0,0,0,0|1,0,0]=3 7740 B13R0.1129 COCCOCC(C)(C)OCCC#N 7a_100000067319_100000184422 [0,2,0,0,0,0|2,0,0]=4 7741 B13R0.1129 COCCOCC(C)(C)OCCCF 7a_100000067319_100011934791 [0,2,0,0,0,0|2,0,0]=4 7742 B13R0.1129 COCCOCC(C)(C)OCCCO 7a_100000067319_100011215043 [0,2,0,0,0,0|2,0,0]=4 7743 B13R0.1129 COCCOCC(C)(C)OCCOC 7a_100000067319_100000233755 [0,2,0,0,0,0|0,0,0]=2 7744 B13R0.1129 COCCOCC(C)(C)OCCSC 7a_100000067319_100000212216 [0,2,0,0,0,0|0,1,0]=3 7745 B13R0.1170 CCCCCCC(C)OCC(C)OC 34a_100000690652_100011215978 [0,2,0,0,0,0|2,0,0]=4 7746 B13R0.1170 CCCCOCC(C)OCC(=O)OC 34a_100011217071_100000747449 [0,2,0,0,0,0|1,0,1]=4 7747 B13R0.1170 CCCCOCC(C)OCC(=O)OC 7a_100011217071_100000747449 [0,2,0,0,0,0|1,0,1]=4 7748 B13R0.1170 CCCCOCC(C)OCC(C)CC 34a_100011217071_100000748023 [0,2,0,0,0,0|2,0,0]=4 7749 B13R0.1170 CCCCOCC(C)OCC(C)CC 7a_100011217071_100000748023 [0,2,0,0,0,0|2,0,0]=4 7750 B13R0.1170 CCCCOCC(C)OCC(C)OC 34a_200000033020_200000210301 [0,2,0,0,0,0|1,0,0]=3 7751 B13R0.1170 CCCCOCC(C)OCC(C)OC 7a_200000033020_200000210301 [0,2,0,0,0,0|1,0,0]=3 7752 B13R0.1170 CCCCOCC(C)OCC(C)O[13CH3] 34a_200000033020_200025704644 [0,2,0,0,0,0|1,0,0]=3 7753 B13R0.1170 CCCCOCC(C)OCC(C)O[13CH3] 7a_200000033020_200025704644 [0,2,0,0,0,0|1,0,0]=3 7754 B13R0.1170 CCCCOCC(C)OCC(O)CC 34a_100011217071_100011218378 [0,2,0,0,0,0|2,0,0]=4 7755 B13R0.1170 CCCCOCC(C)OCC(O)CC 7a_100011217071_100011218378 [0,2,0,0,0,0|2,0,0]=4 7756 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CC 34a_100011217071_100009816398 [0,2,0,0,0,0|2,0,0]=4 7757 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CC 7a_100011217071_100009816398 [0,2,0,0,0,0|2,0,0]=4 7758 B13R0.1170 COCCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211095 [0,2,0,0,0,0|1,0,1]=4 7759 B13R0.1170 COCCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211095 [0,2,0,0,0,0|1,0,1]=4 7760 B13R0.1170 COCCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211095 [0,2,0,0,0,0|1,0,1]=4 7761 B13R0.1170 COCCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211095 [0,2,0,0,0,0|1,0,1]=4 7762 B13R0.1171 COCCOCC(=O)N(C)CCOC 11a_100000743101_100000211095 [0,2,0,0,0,0|1,0,1]=4 7763 B13R0.1171 COCCOCC(=O)N(C)CCOC 1626a_100000743101_100000211095 [0,2,0,0,0,0|1,0,1]=4 7764 B13R0.1171 COCCOCC(=O)N(C)CCOC 240690a_100000743101_100000211095 [0,2,0,0,0,0|1,0,1]=4 7765 B13R0.1171 COCCOCC(=O)N(C)CCOC 527a_100000743101_100000211095 [0,2,0,0,0,0|1,0,1]=4 7766 B13R0.113 COCCC(=O)CCOCC(=O)OC 1458a_100000749529_100000090808 [0,2,0,0,0,0|1,0,1]=4 7767 B13R0.113 COCCN(C)CCOCC(=O)OC 2230a_100000743101_100000090808 [0,2,0,0,0,0|1,0,1]=4 7768 B13R0.154 C=C(C)CCC(=O)CCOCCOC 1458a_100000745395_100000730704 [0,2,0,0,0,0|2,0,0]=4 7769 B13R0.154 C=C(C)CCC(=O)CCOCCOC 1458a_200000688413_100000695917 [0,2,0,0,0,0|2,0,0]=4 7770 B13R0.154 COCCOCCC(=O)CCC(C)C 1458a_100000181311_100000695917 [0,2,0,0,0,0|2,0,0]=4 7771 B13R0.154 COCCOCCC(=O)CCC(C)C 1458a_100000745395_100000210312 [0,2,0,0,0,0|2,0,0]=4 7772 B13R0.154 COCCOCCC(=O)CCC(C)O 1458a_100000745395_100012276601 [0,2,0,0,0,0|2,0,0]=4 7773 B13R0.154 COCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100000695917 [0,2,0,0,0,0|1,1,0]=4 7774 B13R0.154 COCCOCCN(C)CCC(C)C 2230a_100000742789_100000695917 [0,2,0,0,0,0|2,0,0]=4 7775 B13R0.154 COCCOCCN(C)CCC(C)C 269982a_100000742789_100000695917 [0,2,0,0,0,0|2,0,0]=4 7776 B13R0.154 COCCOCCN(C)CCN(C)C 269982a_100000225618_100000695917 [0,2,0,0,0,0|2,0,0]=4 7777 B13R0.176 COCCC(=O)CCN(C)CCOC 1458a_200103286627_100000233755 [0,2,0,0,0,0|2,0,0]=4 7778 B13R0.272 CCCCN(CC)CCOCCOC 2230a_100000207695_100000695917 [0,2,0,0,0,0|2,0,0]=4 7779 B13R0.272 CCCCN(CC)CCOCCOC 269982a_100000207695_100000695917 [0,2,0,0,0,0|2,0,0]=4 7780 B13R0.272 CCCCOCCN(CC)CCOC 2230a_100000731262_100000743108 [0,2,0,0,0,0|2,0,0]=4 7781 B13R0.272 CCCCOCCN(CC)CCOC 269982a_100000731262_100000743108 [0,2,0,0,0,0|2,0,0]=4 7782 B13R0.272 CCN(CCOC)CCOCCOC 2230a_100000731262_100000695917 [0,2,0,0,0,0|1,0,0]=3 7783 B13R0.272 CCN(CCOC)CCOCCOC 269982a_100000731262_100000695917 [0,2,0,0,0,0|1,0,0]=3 7784 B13R0.274 CCC(C)CC(=O)CCOCCOC 1458a_100000708755_100000695917 [0,2,0,0,0,0|2,0,0]=4 7785 B13R0.274 CCC(C)CC(=O)CCOCCOC 1458a_100000745395_100000748023 [0,2,0,0,0,0|2,0,0]=4 7786 B13R0.274 CCC(C)CN(C)CCOCCOC 2230a_100000753921_100000695917 [0,2,0,0,0,0|2,0,0]=4 7787 B13R0.274 CCC(C)CN(C)CCOCCOC 269982a_100000753921_100000695917 [0,2,0,0,0,0|2,0,0]=4 7788 B13R0.274 CCC(O)CC(=O)CCOCCOC 1458a_100000745395_100011218378 [0,2,0,0,0,0|2,0,0]=4 7789 B13R0.274 CCC(O)CC(=O)CCOCCOC 1458a_100011667805_100000695917 [0,2,0,0,0,0|2,0,0]=4 7790 B13R0.274 CC[C@H](C)CC(=O)CCOCCOC 1458a_100000745395_100009816398 [0,2,0,0,0,0|2,0,0]=4 7791 B13R0.274 COCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000695917 [0,2,0,0,0,0|1,0,1]=4 7792 B13R0.274 COCCOCCC(=O)CC(=O)OC 1458a_100000745395_100000747449 [0,2,0,0,0,0|1,0,1]=4 7793 B13R0.274 COCCOCCN(C)CC(=O)OC 2230a_100000198492_100000695917 [0,2,0,0,0,0|1,0,1]=4 7794 B13R0.150 CCCCOCCOCC(C)C(=O)C 34a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 7795 B13R0.150 CCCCOCCOCC(C)C(=O)C 7a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 7796 B13R0.150 CCCCOCCOC[C@H](N)C(C)C 34a_100011830312_100000743108 [0,2,0,0,0,0|2,0,0]=4 7797 B13R0.150 COCCOCCNCC(O)C(C)C 2230a_100000759067_100000695917 [0,2,0,0,0,0|2,0,0]=4 7798 B13R0.150 COCCOCCNCC(O)C(C)C 34a_100000759067_100000695917 [0,2,0,0,0,0|2,0,0]=4 7799 B13R0.150 COCCOCCOCC(=O)C(=O)C 34a_100011215163_100011261029 [0,2,0,0,0,0|1,0,1]=4 7800 B13R0.150 COCCOCCOCC(=O)C(C)C 1458a_100011214951_100000210206 [0,2,0,0,0,0|1,0,1]=4 7801 B13R0.150 COCCOCCOCC(=O)C(C)C 34a_100011215163_100000753385 [0,2,0,0,0,0|1,0,1]=4 7802 B13R0.150 COCCOCCOCC(=O)C(C)C 7a_100011215163_100000753385 [0,2,0,0,0,0|1,0,1]=4 7803 B13R0.150 COCCOCCOCC(=O)N(C)C 11a_100102631434_100011214951 [0,2,0,0,0,0|1,0,1]=4 7804 B13R0.150 COCCOCCOCC(=O)N(C)C 1626a_100102631434_100011214951 [0,2,0,0,0,0|1,0,1]=4 7805 B13R0.150 COCCOCCOCC(=O)N(C)C 240690a_100102631434_100011214951 [0,2,0,0,0,0|1,0,1]=4 7806 B13R0.150 COCCOCCOCC(=O)N(C)C 34a_100011215163_100000692301 [0,2,0,0,0,0|1,0,1]=4 7807 B13R0.150 COCCOCCOCC(=O)N(C)C 527a_100102631434_100011214951 [0,2,0,0,0,0|1,0,1]=4 7808 B13R0.150 COCCOCCOCC(=O)N(C)C 7a_100011215163_100000692301 [0,2,0,0,0,0|1,0,1]=4 7809 B13R0.150 COCCOCCOCC(C)C(=O)C 34a_100000032740_100000695917 [0,2,0,0,0,0|1,0,0]=3 7810 B13R0.150 COCCOCCOCC(C)C(=O)C 7a_100000032740_100000695917 [0,2,0,0,0,0|1,0,0]=3 7811 B13R0.150 COCCOCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000695917 [0,2,0,0,0,0|2,0,0]=4 7812 B13R0.150 COCCOCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000695917 [0,2,0,0,0,0|2,0,0]=4 7813 B13R0.150 COCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000695917 [0,2,0,0,0,0|2,0,0]=4 7814 B13R0.150 COCCOCCOC[C@H](N)C(C)C 34a_100011830312_100000695917 [0,2,0,0,0,0|1,0,0]=3 7815 B13R0.202 C=C(C)CCOCCOCC(=O)OC 34a_100000764851_100000090808 [0,2,0,0,0,0|1,0,1]=4 7816 B13R0.202 COC(=O)COCCOCCC(=O)C 34a_100000759926_100000090808 [0,2,0,0,0,0|1,0,1]=4 7817 B13R0.202 COC(=O)COCCOCCC(=O)C 7a_100000759926_100000090808 [0,2,0,0,0,0|1,0,1]=4 7818 B13R0.202 COC(=O)COCCOCCC(C)Br 34a_100009893172_100000090808 [0,2,0,0,0,0|1,0,1]=4 7819 B13R0.202 COC(=O)COCCOCCC(C)C 34a_100000210254_100000090808 [0,2,0,0,0,0|1,0,1]=4 7820 B13R0.202 COC(=O)COCCOCCC(C)C 7a_100000210254_100000090808 [0,2,0,0,0,0|1,0,1]=4 7821 B13R0.202 COC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000090808 [0,2,0,0,0,0|1,0,1]=4 7822 B13R0.202 COC(C)COCCCCCC(C)C 34a_100000690652_100000210682 [0,2,0,0,0,0|2,0,0]=4 7823 B13R0.280 CCCCOCCOCCC(C)(C)C 34a_100000210238_100000755188 [0,2,0,0,0,0|2,0,0]=4 7824 B13R0.280 CCCCOCCOCCC(C)(C)C 7a_100000210238_100000755188 [0,2,0,0,0,0|2,0,0]=4 7825 B13R0.280 CCCCOCCOCCC(C)(C)C 7a_100000765024_100000743108 [0,2,0,0,0,0|2,0,0]=4 7826 B13R0.280 CCCCOCCOCCC(C)(C)O 34a_100000210238_100000702414 [0,2,0,0,0,0|2,0,0]=4 7827 B13R0.280 CCCCOCCOCCC(C)(C)O 7a_100000210238_100000702414 [0,2,0,0,0,0|2,0,0]=4 7828 B13R0.280 CCCCOCCOCCS(=O)(=O)C 34a_100000210238_100000731031 [0,2,0,0,0,0|1,1,0]=4 7829 B13R0.280 CCCCOCCOCCS(=O)(=O)C 34a_100000211924_100000743108 [0,2,0,0,0,0|1,1,0]=4 7830 B13R0.280 CCCCOCCOCCS(=O)(=O)C 7a_100000210238_100000230027 [0,2,0,0,0,0|1,1,0]=4 7831 B13R0.280 CCCCOCCOCCS(=O)(=O)C 7a_100000211924_100000743108 [0,2,0,0,0,0|1,1,0]=4 7832 B13R0.280 CCCCOCCOCC[N+](C)(C)C 34a_100000210238_100000085578 [0,2,0,0,0,0|2,0,0]=4 7833 B13R0.280 CCCCOCCOCC[N+](C)(C)C 7a_100000210238_100000085578 [0,2,0,0,0,0|2,0,0]=4 7834 B13R0.280 CCCCOCCOCC[N+](C)(C)C 7a_200020618287_100000743108 [0,2,0,0,0,0|2,0,0]=4 7835 B13R0.280 CCCCOCCOCC[Si](C)(C)C 34a_100000210238_200000733723 [0,2,0,0,0,0|2,0,0]=4 7836 B13R0.280 CCCCOCCOCC[Si](C)(C)C 7a_100000039746_100000743108 [0,2,0,0,0,0|2,0,0]=4 7837 B13R0.280 CCCCOCCOCC[Si](C)(C)C 7a_100000210238_200000733723 [0,2,0,0,0,0|2,0,0]=4 7838 B13R0.280 CNCCOCCOCCC(C)(C)C 34a_100000228057_100000755188 [0,2,0,0,0,0|2,0,0]=4 7839 B13R0.280 CNCCOCCOCCC(C)(C)O 34a_100000228057_100000702414 [0,2,0,0,0,0|2,0,0]=4 7840 B13R0.280 CNCCOCCOCCS(=O)(=O)C 34a_100000228057_100000731031 [0,2,0,0,0,0|1,1,0]=4 7841 B13R0.280 CNCCOCCOCC[N+](C)(C)C 34a_100000228057_100000085578 [0,2,0,0,0,0|2,0,0]=4 7842 B13R0.280 CNCCOCCOCC[Si](C)(C)C 34a_100000228057_200000733723 [0,2,0,0,0,0|2,0,0]=4 7843 B13R0.280 COCCOCCCCCC(C)(C)O 34a_100000210237_100010402123 [0,2,0,0,0,0|2,0,0]=4 7844 B13R0.280 COCCOCCCCC[N+](C)(C)C 34a_100000210237_100009813293 [0,2,0,0,0,0|2,0,0]=4 7845 B13R0.280 COCCOCCNCCC(C)(C)C 2230a_100000738805_100000695917 [0,2,0,0,0,0|2,0,0]=4 7846 B13R0.280 COCCOCCNCCC(C)(C)C 2230a_100000745349_100000755188 [0,2,0,0,0,0|2,0,0]=4 7847 B13R0.280 COCCOCCNCCC(C)(C)C 34a_100000745349_100000755188 [0,2,0,0,0,0|2,0,0]=4 7848 B13R0.280 COCCOCCNCCC(C)(C)F 2230a_100016253952_100000695917 [0,2,0,0,0,0|2,0,0]=4 7849 B13R0.280 COCCOCCNCCC(C)(C)O 2230a_100000745349_100000702414 [0,2,0,0,0,0|2,0,0]=4 7850 B13R0.280 COCCOCCNCCC(C)(C)O 34a_100000745349_100000702414 [0,2,0,0,0,0|2,0,0]=4 7851 B13R0.280 COCCOCCNCCS(=O)(=O)C 2230a_100000740961_100000695917 [0,2,0,0,0,0|1,1,0]=4 7852 B13R0.280 COCCOCCNCCS(=O)(=O)C 2230a_100000745349_100000731031 [0,2,0,0,0,0|1,1,0]=4 7853 B13R0.280 COCCOCCNCCS(=O)(=O)C 34a_100000740961_100000695917 [0,2,0,0,0,0|1,1,0]=4 7854 B13R0.280 COCCOCCNCCS(=O)(=O)C 34a_100000745349_100000731031 [0,2,0,0,0,0|1,1,0]=4 7855 B13R0.280 COCCOCCNCC[N+](C)(C)C 34a_100000745349_100000085578 [0,2,0,0,0,0|2,0,0]=4 7856 B13R0.280 COCCOCCNCC[Si](C)(C)C 2230a_100000745349_200000733723 [0,2,0,0,0,0|2,0,0]=4 7857 B13R0.280 COCCOCCNCC[Si](C)(C)C 34a_100000745349_200000733723 [0,2,0,0,0,0|2,0,0]=4 7858 B13R0.280 COCCOCCOCCC(C)(C)C 34a_100011215163_100000755188 [0,2,0,0,0,0|1,0,0]=3 7859 B13R0.280 COCCOCCOCCC(C)(C)C 7a_100000765024_100000695917 [0,2,0,0,0,0|1,0,0]=3 7860 B13R0.280 COCCOCCOCCC(C)(C)C 7a_100011215163_100000755188 [0,2,0,0,0,0|1,0,0]=3 7861 B13R0.280 COCCOCCOCCC(C)(C)O 34a_100011215163_100000702414 [0,2,0,0,0,0|1,0,0]=3 7862 B13R0.280 COCCOCCOCCC(C)(C)O 7a_100011215163_100000702414 [0,2,0,0,0,0|1,0,0]=3 7863 B13R0.280 COCCOCCOCCC(F)(F)F 34a_100000752437_100000695917 [0,2,0,0,0,0|2,0,0]=4 7864 B13R0.280 COCCOCCOCCC(F)(F)F 34a_100011215163_100011219754 [0,2,0,0,0,0|2,0,0]=4 7865 B13R0.280 COCCOCCOCCC(F)(F)F 7a_100011215163_100011219754 [0,2,0,0,0,0|2,0,0]=4 7866 B13R0.280 COCCOCCOCCS(=O)(=O)C 34a_100000211924_100000695917 [0,2,0,0,0,0|0,1,0]=3 7867 B13R0.280 COCCOCCOCCS(=O)(=O)C 34a_100011215163_100000731031 [0,2,0,0,0,0|0,1,0]=3 7868 B13R0.280 COCCOCCOCCS(=O)(=O)C 7a_100000211924_100000695917 [0,2,0,0,0,0|0,1,0]=3 7869 B13R0.280 COCCOCCOCCS(=O)(=O)C 7a_100011215163_100000230027 [0,2,0,0,0,0|0,1,0]=3 7870 B13R0.280 COCCOCCOCCS(=O)(=O)N 34a_100012334274_100000695917 [0,2,0,0,0,0|1,1,0]=4 7871 B13R0.280 COCCOCCOCCS(=O)(=O)[O-] 34a_100011215163_100000762736 [0,2,0,0,0,0|1,1,0]=4 7872 B13R0.280 COCCOCCOCC[N+](C)(C)C 34a_100011215163_100000085578 [0,2,0,0,0,0|1,0,0]=3 7873 B13R0.280 COCCOCCOCC[N+](C)(C)C 7a_100011215163_100000085578 [0,2,0,0,0,0|1,0,0]=3 7874 B13R0.280 COCCOCCOCC[N+](C)(C)C 7a_200020618287_100000695917 [0,2,0,0,0,0|1,0,0]=3 7875 B13R0.280 COCCOCCOCC[Si](C)(C)C 34a_100011215163_200000733723 [0,2,0,0,0,0|1,0,0]=3 7876 B13R0.280 COCCOCCOCC[Si](C)(C)C 7a_100000039746_100000695917 [0,2,0,0,0,0|1,0,0]=3 7877 B13R0.280 COCCOCCOCC[Si](C)(C)C 7a_100011215163_200000733723 [0,2,0,0,0,0|1,0,0]=3 7878 B13R0.280 COCCOCCSCCC(C)(C)C 62a_100000695917_100000755188 [0,2,0,0,0,0|1,1,0]=4 7879 B13R0.280 COCCOCCSCCC(C)(C)C 62a_100000755188_100000695917 [0,2,0,0,0,0|1,1,0]=4 7880 B13R0.280 COCCOCCSCCC(C)(C)O 62a_100000695917_100000702414 [0,2,0,0,0,0|1,1,0]=4 7881 B13R0.280 COCCOCCSCCC(C)(C)O 62a_100000702414_100000695917 [0,2,0,0,0,0|1,1,0]=4 7882 B13R0.280 COCCOCCSCCS(=O)(=O)C 62a_100000695917_100000230027 [0,2,0,0,0,0|0,2,0]=4 7883 B13R0.280 COCCOCCSCCS(=O)(=O)C 62a_100000731031_100000695917 [0,2,0,0,0,0|0,2,0]=4 7884 B13R0.280 COCCOCCSCC[N+](C)(C)C 62a_100000085578_100000695917 [0,2,0,0,0,0|1,1,0]=4 7885 B13R0.280 COCCOCCSCC[N+](C)(C)C 62a_100000695917_100000085578 [0,2,0,0,0,0|1,1,0]=4 7886 B13R0.280 COCCOCCSCC[Si](C)(C)C 62a_100000695917_200000733723 [0,2,0,0,0,0|1,1,0]=4 7887 B13R0.280 COCCOCCSCC[Si](C)(C)C 62a_200000733723_100000695917 [0,2,0,0,0,0|1,1,0]=4 7888 B13R0.201 CC[C@H](C)COCCOCC(=O)OC 7a_100009816381_100000090808 [0,2,0,0,0,0|1,0,1]=4 7889 B13R0.201 COC(=O)CCCCOCC(C)OC 34a_100000690652_100000204269 [0,2,0,0,0,0|1,0,1]=4 7890 B13R0.201 COC(=O)COCCNC[C@@H](C)OC 2230a_100020591295_100000090808 [0,2,0,0,0,0|1,0,1]=4 7891 B13R0.201 COC(=O)COCCOCC(C)OC 34a_100000690652_100000090808 [0,2,0,0,0,0|0,0,1]=3 7892 B13R0.412 CCC(CC)CNCCOCCOC 2230a_100000745349_100011215472 [0,2,0,0,0,0|2,0,0]=4 7893 B13R0.412 CCC(CC)CNCCOCCOC 2230a_100102946423_100000695917 [0,2,0,0,0,0|2,0,0]=4 7894 B13R0.412 CCC(CC)CNCCOCCOC 269862a_100000745349_100000211137 [0,2,0,0,0,0|2,0,0]=4 7895 B13R0.412 CCC(CC)CNCCOCCOC 270004a_100000745349_100000211137 [0,2,0,0,0,0|2,0,0]=4 7896 B13R0.412 CCC(CC)CNCCOCCOC 34a_100000745349_100011215472 [0,2,0,0,0,0|2,0,0]=4 7897 B13R0.412 CCC(CC)COCCOCCNC 34a_100000228057_100011215472 [0,2,0,0,0,0|2,0,0]=4 7898 B13R0.412 CCC(CC)COCCOCCOC 34a_100011215163_100011215472 [0,2,0,0,0,0|1,0,0]=3 7899 B13R0.412 CCC(CC)COCCOCCOC 7a_100000703878_100000695917 [0,2,0,0,0,0|1,0,0]=3 7900 B13R0.412 CCC(CC)COCCOCCOC 7a_100011215163_100011215472 [0,2,0,0,0,0|1,0,0]=3 7901 B13R0.412 CCC(CC)CSCCOCCOC 62a_100000695917_100011215472 [0,2,0,0,0,0|1,1,0]=4 7902 B13R0.412 CCC(CC)CSCCOCCOC 62a_100011215472_100000695917 [0,2,0,0,0,0|1,1,0]=4 7903 B13R0.412 CCC(COCCOCCOC)OC 34a_100011934954_100000695917 [0,2,0,0,0,0|0,0,0]=2 7904 B13R0.412 CCC(COCCOCCOC)OC 7a_100011934954_100000695917 [0,2,0,0,0,0|0,0,0]=2 7905 B13R0.412 CCCCCCCOCC(CC)OC 34a_100011934954_100000210614 [0,2,0,0,0,0|2,0,0]=4 7906 B13R0.412 CCCCCCCOCC(CC)OC 7a_100011934954_100000210614 [0,2,0,0,0,0|2,0,0]=4 7907 B13R0.412 CCCCCCCOCC(OC)OC 34a_100000210272_100000211822 [0,2,0,0,0,0|2,0,0]=4 7908 B13R0.412 CCCCCCCOCC(OC)OC 34a_100011216393_100000210614 [0,2,0,0,0,0|2,0,0]=4 7909 B13R0.412 CCCCCCCOCC(OC)OC 7a_100000210272_100000751394 [0,2,0,0,0,0|2,0,0]=4 7910 B13R0.412 CCCCOCCOCC(CC)CC 34a_100000210238_100011215472 [0,2,0,0,0,0|2,0,0]=4 7911 B13R0.412 CCCCOCCOCC(CC)CC 7a_100000210238_100011215472 [0,2,0,0,0,0|2,0,0]=4 7912 B13R0.412 CCCCOCCOCC(CC)CC 7a_100000703878_100000743108 [0,2,0,0,0,0|2,0,0]=4 7913 B13R0.412 CCCCOCCOCC(CC)OC 34a_100011934954_100000743108 [0,2,0,0,0,0|1,0,0]=3 7914 B13R0.412 CCCCOCCOCC(CC)OC 7a_100011934954_100000743108 [0,2,0,0,0,0|1,0,0]=3 7915 B13R0.412 CCCCOCCOCC(OC)OC 34a_100000210238_100000211822 [0,2,0,0,0,0|1,0,0]=3 7916 B13R0.412 CCCCOCCOCC(OC)OC 34a_100011216393_100000743108 [0,2,0,0,0,0|1,0,0]=3 7917 B13R0.412 CCCCOCCOCC(OC)OC 7a_100000210238_100000751394 [0,2,0,0,0,0|1,0,0]=3 7918 B13R0.412 CCCCOCCSCC(OC)OC 62a_100000743108_100000751394 [0,2,0,0,0,0|1,1,0]=4 7919 B13R0.412 CCCCOCCSCC(OC)OC 62a_100000751394_100000743108 [0,2,0,0,0,0|1,1,0]=4 7920 B13R0.412 CCCCSCCOCC(OC)OC 34a_200000230436_100000211822 [0,2,0,0,0,0|1,1,0]=4 7921 B13R0.412 CCCCSCCOCC(OC)OC 7a_200000230436_100000751394 [0,2,0,0,0,0|1,1,0]=4 7922 B13R0.412 CCN(CC)COCCOCCOC 7a_200015374951_100000695917 [0,2,0,0,0,0|2,0,0]=4 7923 B13R0.412 CNCCCCCOCC(OC)OC 34a_100000722520_100000211822 [0,2,0,0,0,0|2,0,0]=4 7924 B13R0.412 CNCCOCCOCC(OC)OC 34a_100000228057_100000211822 [0,2,0,0,0,0|1,0,0]=3 7925 B13R0.412 COCCCCCNCC(OC)OC 2230a_100000747528_100000751394 [0,2,0,0,0,0|2,0,0]=4 7926 B13R0.412 COCCCCCNCC(OC)OC 270004a_100000747528_100000752162 [0,2,0,0,0,0|2,0,0]=4 7927 B13R0.412 COCCCCCNCC(OC)OC 34a_100000747528_100000211822 [0,2,0,0,0,0|2,0,0]=4 7928 B13R0.412 COCCOCCNCC(OC)OC 2230a_100000745349_100000751394 [0,2,0,0,0,0|1,0,0]=3 7929 B13R0.412 COCCOCCNCC(OC)OC 270004a_100000745349_100000752162 [0,2,0,0,0,0|1,0,0]=3 7930 B13R0.412 COCCOCCNCC(OC)OC 34a_100000745349_100000211822 [0,2,0,0,0,0|1,0,0]=3 7931 B13R0.412 COCCOCCOCC(OC)OC 34a_100011215163_100000211822 [0,2,0,0,0,0|0,0,0]=2 7932 B13R0.412 COCCOCCOCC(OC)OC 34a_100011216393_100000695917 [0,2,0,0,0,0|0,0,0]=2 7933 B13R0.412 COCCOCCOCC(OC)OC 7a_100011215163_100000751394 [0,2,0,0,0,0|0,0,0]=2 7934 B13R0.412 COCCOCCSCC(OC)OC 62a_100000695917_100000751394 [0,2,0,0,0,0|0,1,0]=3 7935 B13R0.412 COCCOCCSCC(OC)OC 62a_100000751394_100000695917 [0,2,0,0,0,0|0,1,0]=3 7936 B13R0.412 COCCOCSCCC(OC)OC 62a_100000139399_100000231047 [0,2,0,0,0,0|2,0,0]=4 7937 B13R0.412 COCCOCSCCC(OC)OC 62a_100000231047_100000139399 [0,2,0,0,0,0|2,0,0]=4 7938 B13R0.1215 CCC(C)(C)COCCOCCOC 7a_100000765029_100000695917 [0,2,0,0,0,0|1,0,0]=3 7939 B13R0.1215 CCCCCCCOCC(C)(C)OC 34a_100000210272_100000701081 [0,2,0,0,0,0|2,0,0]=4 7940 B13R0.1215 CCCCOCCNCC(C)(C)OC 2230a_100000763424_100000743108 [0,2,0,0,0,0|2,0,0]=4 7941 B13R0.1215 CCCCOCCOCC(C)(C)CC 7a_100000765029_100000743108 [0,2,0,0,0,0|2,0,0]=4 7942 B13R0.1215 CCCCOCCOCC(C)(C)OC 34a_100000210238_100000701081 [0,2,0,0,0,0|1,0,0]=3 7943 B13R0.1215 CCCCOCCSCC(C)(C)OC 62a_100000701081_100000743108 [0,2,0,0,0,0|1,1,0]=4 7944 B13R0.1215 CCCCOCCSCC(C)(C)OC 62a_100000743108_100000701081 [0,2,0,0,0,0|1,1,0]=4 7945 B13R0.1215 CCCCSCCOCC(C)(C)OC 34a_200000230436_100000701081 [0,2,0,0,0,0|1,1,0]=4 7946 B13R0.1215 CNCCCCCOCC(C)(C)OC 34a_100000722520_100000701081 [0,2,0,0,0,0|2,0,0]=4 7947 B13R0.1215 CNCCOCCOCC(C)(C)OC 34a_100000228057_100000701081 [0,2,0,0,0,0|1,0,0]=3 7948 B13R0.1215 COCCCCCNCC(C)(C)OC 34a_100000747528_100000701081 [0,2,0,0,0,0|2,0,0]=4 7949 B13R0.1215 COCCOCCNCC(C)(C)OC 2230a_100000763424_100000695917 [0,2,0,0,0,0|1,0,0]=3 7950 B13R0.1215 COCCOCCNCC(C)(C)OC 34a_100000745349_100000701081 [0,2,0,0,0,0|1,0,0]=3 7951 B13R0.1215 COCCOCCNCC(C)(C)SC 270004a_100000745349_100009845794 [0,2,0,0,0,0|1,1,0]=4 7952 B13R0.1215 COCCOCCOCC(C)(C)CCl 7a_100011217199_100000695917 [0,2,0,0,0,0|2,0,0]=4 7953 B13R0.1215 COCCOCCOCC(C)(C)CO 34a_100011215163_100009813988 [0,2,0,0,0,0|2,0,0]=4 7954 B13R0.1215 COCCOCCOCC(C)(C)CO 7a_100011215163_100009813988 [0,2,0,0,0,0|2,0,0]=4 7955 B13R0.1215 COCCOCCOCC(C)(C)OC 34a_100011215163_100000701081 [0,2,0,0,0,0|0,0,0]=2 7956 B13R0.1215 COCCOCCOCC(F)(F)CN 34a_100000703232_100000695917 [0,2,0,0,0,0|2,0,0]=4 7957 B13R0.1215 COCCOCCSCC(C)(C)OC 62a_100000695917_100000701081 [0,2,0,0,0,0|0,1,0]=3 7958 B13R0.1215 COCCOCCSCC(C)(C)OC 62a_100000701081_100000695917 [0,2,0,0,0,0|0,1,0]=3 7959 B11R1.4 BrCCCOCC1CCOC1 34a_100011217188_100011261433 [1,0,0,1,0,0|2,0,0]=4 7960 B11R1.4 BrCCCOCC1OCCO1 34a_100011217188_100000755774 [1,0,0,1,0,0|2,0,0]=4 7961 B11R1.4 C#CCCOCC1CCCO1 34a_100000210270_100000688953 [1,0,0,1,0,0|1,0,1]=4 7962 B11R1.4 C#CCCOCC1CCCO1 7a_100000210270_100000688953 [1,0,0,1,0,0|1,0,1]=4 7963 B11R1.4 C#CCCOCC1CCOC1 34a_100000740260_100000688953 [1,0,0,1,0,0|1,0,1]=4 7964 B11R1.4 C#CCCOCC1CCOC1 34a_100011215631_100011261433 [1,0,0,1,0,0|1,0,1]=4 7965 B11R1.4 C#CCCOCC1COCO1 34a_100011216627_100000688953 [1,0,0,1,0,0|1,0,1]=4 7966 B11R1.4 C#CCCOCC1OCCO1 34a_100000087154_100000688953 [1,0,0,1,0,0|1,0,1]=4 7967 B11R1.4 C#CCCOCC1OCCO1 34a_100011215631_100000755774 [1,0,0,1,0,0|1,0,1]=4 7968 B11R1.4 C/C=C/COCC1CCCO1 34a_100000210270_100102629194 [1,0,0,1,0,0|1,0,1]=4 7969 B11R1.4 C/C=C/COCC1CCCO1 7a_100000210270_100102629194 [1,0,0,1,0,0|1,0,1]=4 7970 B11R1.4 C/C=C/COCC1CCOC1 34a_100000740260_100102629194 [1,0,0,1,0,0|1,0,1]=4 7971 B11R1.4 C/C=C/COCC1CCOC1 34a_100016270725_100011261433 [1,0,0,1,0,0|1,0,1]=4 7972 B11R1.4 C/C=C/COCC1COCO1 34a_100011216627_100102629194 [1,0,0,1,0,0|1,0,1]=4 7973 B11R1.4 C/C=C/COCC1OCCO1 34a_100000087154_100102629194 [1,0,0,1,0,0|1,0,1]=4 7974 B11R1.4 C/C=C/COCC1OCCO1 34a_100016270725_100000755774 [1,0,0,1,0,0|1,0,1]=4 7975 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [1,0,0,1,0,0|1,0,1]=4 7976 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [1,0,0,1,0,0|1,0,1]=4 7977 B11R1.4 C=CCCOCC1CCOC1 34a_100000740260_100000754431 [1,0,0,1,0,0|1,0,1]=4 7978 B11R1.4 C=CCCOCC1CCOC1 34a_100011205117_100011261433 [1,0,0,1,0,0|1,0,1]=4 7979 B11R1.4 C=CCCOCC1COCO1 34a_100011216627_100000754431 [1,0,0,1,0,0|1,0,1]=4 7980 B11R1.4 C=CCCOCC1OCCO1 34a_100000087154_100000754431 [1,0,0,1,0,0|1,0,1]=4 7981 B11R1.4 C=CCCOCC1OCCO1 34a_100011205117_100000755774 [1,0,0,1,0,0|1,0,1]=4 7982 B11R1.4 CC#CCOCC1CCCO1 34a_100000210270_100000748600 [1,0,0,1,0,0|1,0,1]=4 7983 B11R1.4 CC#CCOCC1CCCO1 7a_100000210270_100000748600 [1,0,0,1,0,0|1,0,1]=4 7984 B11R1.4 CC#CCOCC1CCOC1 34a_100000740260_100000748600 [1,0,0,1,0,0|1,0,1]=4 7985 B11R1.4 CC#CCOCC1CCOC1 34a_100000761923_100011261433 [1,0,0,1,0,0|1,0,1]=4 7986 B11R1.4 CC#CCOCC1COCO1 34a_100011216627_100000748600 [1,0,0,1,0,0|1,0,1]=4 7987 B11R1.4 CC#CCOCC1OCCO1 34a_100000087154_100000748600 [1,0,0,1,0,0|1,0,1]=4 7988 B11R1.4 CC#CCOCC1OCCO1 34a_100000761923_100000755774 [1,0,0,1,0,0|1,0,1]=4 7989 B11R1.4 CC=CCOCC1CCCO1 34a_100000210270_100000070051 [1,0,0,1,0,0|1,0,1]=4 7990 B11R1.4 CC=CCOCC1CCCO1 7a_100000210270_100000070051 [1,0,0,1,0,0|1,0,1]=4 7991 B11R1.4 CC=CCOCC1CCOC1 34a_100000740260_100000070051 [1,0,0,1,0,0|1,0,1]=4 7992 B11R1.4 CC=CCOCC1COCO1 34a_100011216627_100000070051 [1,0,0,1,0,0|1,0,1]=4 7993 B11R1.4 CC=CCOCC1OCCO1 34a_100000087154_100000070051 [1,0,0,1,0,0|1,0,1]=4 7994 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [1,0,0,1,0,0|2,0,0]=4 7995 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [1,0,0,1,0,0|2,0,0]=4 7996 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [1,0,0,1,0,0|2,0,0]=4 7997 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [1,0,0,1,0,0|2,0,0]=4 7998 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [1,0,0,1,0,0|2,0,0]=4 7999 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [1,0,0,1,0,0|2,0,0]=4 8000 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [1,0,0,1,0,0|2,0,0]=4 8001 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [1,0,0,1,0,0|2,0,0]=4 8002 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [1,0,0,1,0,0|2,0,0]=4 8003 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [1,0,0,1,0,0|2,0,0]=4 8004 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [1,0,0,1,0,0|2,0,0]=4 8005 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [1,0,0,1,0,0|2,0,0]=4 8006 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [1,0,0,1,0,0|2,0,0]=4 8007 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [1,0,0,1,0,0|2,0,0]=4 8008 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [1,0,0,1,0,0|2,0,0]=4 8009 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [1,0,0,1,0,0|2,0,0]=4 8010 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,0,0,1,0,0|1,0,0]=3 8011 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,0,0,1,0,0|1,0,0]=3 8012 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,0,0,1,0,0|1,0,0]=3 8013 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [1,0,0,1,0,0|2,0,0]=4 8014 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [1,0,0,1,0,0|1,0,0]=3 8015 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [1,0,0,1,0,0|1,0,0]=3 8016 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [1,0,0,1,0,0|1,0,0]=3 8017 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [1,0,0,1,0,0|1,0,0]=3 8018 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [1,0,0,1,0,0|1,0,0]=3 8019 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [1,0,0,1,0,0|1,0,0]=3 8020 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [1,0,0,1,0,0|1,0,0]=3 8021 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [1,0,0,1,0,0|2,0,0]=4 8022 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [1,0,0,1,0,0|1,1,0]=4 8023 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [1,0,0,1,0,0|1,1,0]=4 8024 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [1,0,0,1,0,0|1,1,0]=4 8025 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [1,0,0,1,0,0|1,1,0]=4 8026 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [1,0,0,1,0,0|1,1,0]=4 8027 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [1,0,0,1,0,0|1,1,0]=4 8028 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [1,0,0,1,0,0|2,0,0]=4 8029 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [1,0,0,1,0,0|2,0,0]=4 8030 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [1,0,0,1,0,0|2,0,0]=4 8031 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [1,0,0,1,0,0|2,0,0]=4 8032 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [1,0,0,1,0,0|1,0,0]=3 8033 B11R1.4 CCCOCCN1CCCC1 2230a_100000188435_100011215938 [1,0,0,1,0,0|2,0,0]=4 8034 B11R1.4 CCCOCCN1CCCC1 269982a_100000188435_100011215938 [1,0,0,1,0,0|2,0,0]=4 8035 B11R1.4 CCCOCCN1CCSC1 2230a_100011215254_100011215938 [1,0,0,1,0,0|1,1,0]=4 8036 B11R1.4 CCCOCCN1CCSC1 269982a_100011215254_100011215938 [1,0,0,1,0,0|1,1,0]=4 8037 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [1,0,0,1,0,0|2,0,0]=4 8038 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [1,0,0,1,0,0|2,0,0]=4 8039 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [1,0,0,1,0,0|2,0,0]=4 8040 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [1,0,0,1,0,0|1,0,0]=3 8041 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [1,0,0,1,0,0|2,0,0]=4 8042 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [1,0,0,1,0,0|2,0,0]=4 8043 B11R1.4 COCCCCN1CCSC1 2230a_100011215254_100000730899 [1,0,0,1,0,0|1,1,0]=4 8044 B11R1.4 COCCCCN1CCSC1 269982a_100011215254_100000730899 [1,0,0,1,0,0|1,1,0]=4 8045 B11R1.4 COCCCNC1CCOC1 270004a_100150723488_100000752484 [1,0,0,1,0,0|2,0,0]=4 8046 B11R1.4 COCCCNC1CCOC1 34a_100150723488_100000690089 [1,0,0,1,0,0|2,0,0]=4 8047 B11R1.4 COCCCN[C@@H]1CCOC1 2230a_200015188469_100000740836 [1,0,0,1,0,0|2,0,0]=4 8048 B11R1.4 COCCCN[C@H]1CCOC1 2230a_100015188467_100000740836 [1,0,0,1,0,0|2,0,0]=4 8049 B11R1.4 COCCCN[C@H]1CCOC1 34a_100015188467_100000740836 [1,0,0,1,0,0|2,0,0]=4 8050 B11R1.4 COCCCOC1CCCO1 34a_100000085407_100000740836 [1,0,0,1,0,0|2,0,0]=4 8051 B11R1.4 COCCCOC1CCOC1 34a_100000740835_100000690089 [1,0,0,1,0,0|2,0,0]=4 8052 B11R1.4 COCCCO[C@H]1CCOC1 34a_100000717292_100000740836 [1,0,0,1,0,0|2,0,0]=4 8053 B11R1.4 COCCCSC1CCOC1 62a_100000709357_100000690089 [1,0,0,1,0,0|2,0,0]=4 8054 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [1,0,0,1,0,0|2,0,0]=4 8055 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [1,0,0,1,0,0|2,0,0]=4 8056 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [1,0,0,1,0,0|2,0,0]=4 8057 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [1,0,0,1,0,0|2,0,0]=4 8058 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [1,0,0,1,0,0|1,0,0]=3 8059 B11R1.4 COCCNCC1CCOC1 2230a_100000209980_100000702531 [1,0,0,1,0,0|1,0,0]=3 8060 B11R1.4 COCCNCC1CCOC1 2230a_100000737293_100011201679 [1,0,0,1,0,0|1,0,0]=3 8061 B11R1.4 COCCNCC1CCOC1 34a_100000737293_100011201679 [1,0,0,1,0,0|1,0,0]=3 8062 B11R1.4 COCCNCC1OCCO1 2230a_100000036311_100011201679 [1,0,0,1,0,0|1,0,0]=3 8063 B11R1.4 COCCNCC1OCCO1 2230a_100000209980_100000755774 [1,0,0,1,0,0|1,0,0]=3 8064 B11R1.4 COCCNCC1OCCO1 34a_100000036311_100011201679 [1,0,0,1,0,0|1,0,0]=3 8065 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [1,0,0,1,0,0|1,0,0]=3 8066 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [1,0,0,1,0,0|1,0,0]=3 8067 B11R1.4 COCCOCC1CC=CC1 34a_100000688395_100011201679 [1,0,0,1,0,0|1,0,1]=4 8068 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [1,0,0,1,0,0|1,0,0]=3 8069 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [1,0,0,1,0,0|1,0,0]=3 8070 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [1,0,0,1,0,0|1,0,0]=3 8071 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [1,0,0,1,0,0|0,0,0]=2 8072 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [1,0,0,1,0,0|0,0,0]=2 8073 B11R1.4 COCCOCC1CCNC1 34a_100000748654_100011201679 [1,0,0,1,0,0|1,0,0]=3 8074 B11R1.4 COCCOCC1CCOC1 34a_100000210237_100011261433 [1,0,0,1,0,0|0,0,0]=2 8075 B11R1.4 COCCOCC1CCOC1 34a_100000740260_100011201679 [1,0,0,1,0,0|0,0,0]=2 8076 B11R1.4 COCCOCC1COCO1 34a_100011216627_100011201679 [1,0,0,1,0,0|0,0,0]=2 8077 B11R1.4 COCCOCC1OCCO1 34a_100000087154_100011201679 [1,0,0,1,0,0|0,0,0]=2 8078 B11R1.4 COCCOCC1OCCO1 34a_100000210237_100000755774 [1,0,0,1,0,0|0,0,0]=2 8079 B11R1.4 COCCOCN1CCCC1 2230a_100000188435_100000231047 [1,0,0,1,0,0|2,0,0]=4 8080 B11R1.4 COCCOCN1CCCC1 269982a_100000188435_100000231047 [1,0,0,1,0,0|2,0,0]=4 8081 B11R1.4 COCCOCN1CCSC1 2230a_100011215254_100000231047 [1,0,0,1,0,0|1,1,0]=4 8082 B11R1.4 COCCOCN1CCSC1 269982a_100011215254_100000231047 [1,0,0,1,0,0|1,1,0]=4 8083 B11R1.4 COCCOC[C@H]1CCCN1 34a_100000745186_100011201679 [1,0,0,1,0,0|1,0,0]=3 8084 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [1,0,0,1,0,0|1,1,0]=4 8085 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [1,0,0,1,0,0|1,1,0]=4 8086 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [1,0,0,1,0,0|0,1,0]=3 8087 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [1,0,0,1,0,0|0,1,0]=3 8088 B11R1.4 COCCSCC1CCOC1 62a_100000233755_100000702531 [1,0,0,1,0,0|0,1,0]=3 8089 B11R1.4 COCCSCC1CCOC1 62a_100000702531_100000233755 [1,0,0,1,0,0|0,1,0]=3 8090 B11R1.4 COCCSCC1OCCO1 62a_100000233755_100000755774 [1,0,0,1,0,0|0,1,0]=3 8091 B11R1.4 COCCSCC1OCCO1 62a_100000755774_100000233755 [1,0,0,1,0,0|0,1,0]=3 8092 B11R1.4 COCNCCC1OCCO1 2230a_100000034215_100000766300 [1,0,0,1,0,0|2,0,0]=4 8093 B11R1.4 COCSCCC1OCCO1 62a_100000766300_100000740749 [1,0,0,1,0,0|2,0,0]=4 8094 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [1,0,0,1,0,0|1,1,0]=4 8095 B11R1.4 CSCCNCC1CCCO1 2230a_100020590264_100000203698 [1,0,0,1,0,0|1,1,0]=4 8096 B11R1.4 CSCCNCC1CCOC1 2230a_100000737293_100000751147 [1,0,0,1,0,0|1,1,0]=4 8097 B11R1.4 CSCCNCC1CCOC1 2230a_100020590264_100000702531 [1,0,0,1,0,0|1,1,0]=4 8098 B11R1.4 CSCCNCC1CCOC1 34a_100000737293_100000212216 [1,0,0,1,0,0|1,1,0]=4 8099 B11R1.4 CSCCNCC1OCCO1 2230a_100000036311_100000751147 [1,0,0,1,0,0|1,1,0]=4 8100 B11R1.4 CSCCNCC1OCCO1 2230a_100020590264_100000755774 [1,0,0,1,0,0|1,1,0]=4 8101 B11R1.4 CSCCNCC1OCCO1 34a_100000036311_100000212216 [1,0,0,1,0,0|1,1,0]=4 8102 B11R1.4 CSCCNC[C@@H]1CCCO1 2230a_100020590478_100000751147 [1,0,0,1,0,0|1,1,0]=4 8103 B11R1.4 CSCCNC[C@@H]1CCCO1 34a_100020590478_100000212216 [1,0,0,1,0,0|1,1,0]=4 8104 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [1,0,0,1,0,0|1,1,0]=4 8105 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [1,0,0,1,0,0|1,1,0]=4 8106 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [1,0,0,1,0,0|1,1,0]=4 8107 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [1,0,0,1,0,0|1,1,0]=4 8108 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [1,0,0,1,0,0|0,1,0]=3 8109 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [1,0,0,1,0,0|0,1,0]=3 8110 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [1,0,0,1,0,0|0,1,0]=3 8111 B11R1.4 CSCCOCC1CCNC1 34a_100000748654_100000212216 [1,0,0,1,0,0|1,1,0]=4 8112 B11R1.4 CSCCOCC1CCOC1 34a_100000230434_100011261433 [1,0,0,1,0,0|0,1,0]=3 8113 B11R1.4 CSCCOCC1CCOC1 34a_100000740260_100000212216 [1,0,0,1,0,0|0,1,0]=3 8114 B11R1.4 CSCCOCC1CCOC1 7a_100000230434_100000702531 [1,0,0,1,0,0|0,1,0]=3 8115 B11R1.4 CSCCOCC1COCO1 34a_100011216627_100000212216 [1,0,0,1,0,0|0,1,0]=3 8116 B11R1.4 CSCCOCC1OCCO1 34a_100000087154_100000212216 [1,0,0,1,0,0|0,1,0]=3 8117 B11R1.4 CSCCOCC1OCCO1 34a_100000230434_100000755774 [1,0,0,1,0,0|0,1,0]=3 8118 B11R1.4 CSCCOCC1OCCO1 7a_100000230434_100000755774 [1,0,0,1,0,0|0,1,0]=3 8119 B11R1.4 CSCCOC[C@H]1CCCN1 34a_100000745186_100000212216 [1,0,0,1,0,0|1,1,0]=4 8120 B11R1.4 CSCCSCC1CCCO1 62a_100000203698_100000751147 [1,0,0,1,0,0|0,2,0]=4 8121 B11R1.4 CSCCSCC1CCCO1 62a_100000212216_100000203698 [1,0,0,1,0,0|0,2,0]=4 8122 B11R1.4 CSCCSCC1CCOC1 62a_100000212216_100000702531 [1,0,0,1,0,0|0,2,0]=4 8123 B11R1.4 CSCCSCC1CCOC1 62a_100000702531_100000751147 [1,0,0,1,0,0|0,2,0]=4 8124 B11R1.4 CSCCSCC1OCCO1 62a_100000212216_100000755774 [1,0,0,1,0,0|0,2,0]=4 8125 B11R1.4 CSCCSCC1OCCO1 62a_100000755774_100000751147 [1,0,0,1,0,0|0,2,0]=4 8126 B11R1.4 CSCOCCC1CCOC1 34a_100011879284_100011218213 [1,0,0,1,0,0|1,1,0]=4 8127 B11R1.4 ClCCCOCC1CCOC1 34a_100000230001_100011261433 [1,0,0,1,0,0|2,0,0]=4 8128 B11R1.4 ClCCCOCC1OCCO1 34a_100000230001_100000755774 [1,0,0,1,0,0|2,0,0]=4 8129 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [1,0,0,1,0,0|2,0,0]=4 8130 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [1,0,0,1,0,0|2,0,0]=4 8131 B11R1.4 FCCCOCC1CCOC1 34a_100000740260_100011934791 [1,0,0,1,0,0|2,0,0]=4 8132 B11R1.4 FCCCOCC1CCOC1 34a_100000759539_100011261433 [1,0,0,1,0,0|2,0,0]=4 8133 B11R1.4 FCCCOCC1COCO1 34a_100011216627_100011934791 [1,0,0,1,0,0|2,0,0]=4 8134 B11R1.4 FCCCOCC1OCCO1 34a_100000087154_100011934791 [1,0,0,1,0,0|2,0,0]=4 8135 B11R1.4 FCCCOCC1OCCO1 34a_100000759539_100000755774 [1,0,0,1,0,0|2,0,0]=4 8136 B11R1.4 FCCOCCC1CCOC1 34a_100011879284_100011217306 [1,0,0,1,0,0|2,0,0]=4 8137 B11R1.4 N#CCCOCC1CCCO1 7a_100000210270_100000184422 [1,0,0,1,0,0|2,0,0]=4 8138 B11R1.4 NCCCOCC1CCOC1 34a_100000182051_100011261433 [1,0,0,1,0,0|2,0,0]=4 8139 B11R1.4 NCCCOCC1OCCO1 34a_100000182051_100000755774 [1,0,0,1,0,0|2,0,0]=4 8140 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [1,0,0,1,0,0|2,0,0]=4 8141 B11R1.4 NOCCOCC1CCOC1 34a_100000700252_100011261433 [1,0,0,1,0,0|1,0,0]=3 8142 B11R1.4 NOCCOCC1OCCO1 34a_100000700252_100000755774 [1,0,0,1,0,0|1,0,0]=3 8143 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [1,0,0,1,0,0|2,0,0]=4 8144 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [1,0,0,1,0,0|2,0,0]=4 8145 B11R1.4 OCCCOCC1CCOC1 34a_100000740260_100000230001 [1,0,0,1,0,0|2,0,0]=4 8146 B11R1.4 OCCCOCC1COCO1 34a_100011216627_100000230001 [1,0,0,1,0,0|2,0,0]=4 8147 B11R1.4 OCCCOCC1OCCO1 34a_100000087154_100000230001 [1,0,0,1,0,0|2,0,0]=4 8148 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [1,0,0,1,0,0|2,0,0]=4 8149 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [1,0,0,1,0,0|2,0,0]=4 8150 B11R1.4 OCCOCCC1CCNC1 34a_100016987287_100000211926 [1,0,0,1,0,0|2,0,0]=4 8151 B11R1.4 OCCOCCC1CCOC1 34a_100011879284_100000211926 [1,0,0,1,0,0|1,0,0]=3 8152 B11R1.4 OCCOCCN1CCCC1 2230a_100000188435_100011215305 [1,0,0,1,0,0|2,0,0]=4 8153 B11R1.4 OCCOCCN1CCCC1 269982a_100000188435_100011215305 [1,0,0,1,0,0|2,0,0]=4 8154 B11R1.4 OCCOCCN1CCSC1 2230a_100011215254_100011215305 [1,0,0,1,0,0|1,1,0]=4 8155 B11R1.4 OCCOCCN1CCSC1 269982a_100011215254_100011215305 [1,0,0,1,0,0|1,1,0]=4 8156 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [1,0,0,1,0,0|1,1,0]=4 8157 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,0,1,0,0|2,0,0]=4 8158 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,0,1,0,0|2,0,0]=4 8159 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [1,0,0,1,0,0|2,0,0]=4 8160 B11R1.17 CC1CCNCC1OCCO 34a_100000696640_100000211926 [1,0,0,1,0,0|2,0,0]=4 8161 B11R1.17 CCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210211 [1,0,0,1,0,0|2,0,0]=4 8162 B11R1.17 CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210211 [1,0,0,1,0,0|2,0,0]=4 8163 B11R1.17 CCCCN1CCOC[C@@H]1C 34a_100009815349_100000210210 [1,0,0,1,0,0|2,0,0]=4 8164 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [1,0,0,1,0,0|2,0,0]=4 8165 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [1,0,0,1,0,0|2,0,0]=4 8166 B11R1.17 CCCOC1CNCCC1C 34a_100000696640_100000210303 [1,0,0,1,0,0|2,0,0]=4 8167 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [1,0,0,1,0,0|2,0,0]=4 8168 B11R1.17 CCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210303 [1,0,0,1,0,0|2,0,0]=4 8169 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 8170 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 8171 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 8172 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [1,0,0,1,0,0|2,0,0]=4 8173 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 8174 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 8175 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 8176 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [1,0,0,1,0,0|2,0,0]=4 8177 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [1,0,0,1,0,0|2,0,0]=4 8178 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [1,0,0,1,0,0|2,0,0]=4 8179 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [1,0,0,1,0,0|2,0,0]=4 8180 B11R1.17 COCCN1CCOC[C@@H]1C 2230a_100009815349_100011201679 [1,0,0,1,0,0|1,0,0]=3 8181 B11R1.17 COCCN1CCOC[C@@H]1C 269982a_100009815349_100000233755 [1,0,0,1,0,0|1,0,0]=3 8182 B11R1.17 COCCN1CCOC[C@@H]1C 34a_100009815349_100011201679 [1,0,0,1,0,0|1,0,0]=3 8183 B11R1.17 COCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000766300 [1,0,0,1,0,0|2,0,0]=4 8184 B11R1.17 CSCCN1CCOC[C@@H]1C 2230a_100009815349_100000751147 [1,0,0,1,0,0|1,1,0]=4 8185 B11R1.17 CSCCN1CCOC[C@@H]1C 269982a_100009815349_100000212216 [1,0,0,1,0,0|1,1,0]=4 8186 B11R1.17 CSCCN1CCOC[C@@H]1C 34a_100009815349_100000212216 [1,0,0,1,0,0|1,1,0]=4 8187 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCO 34a_100016994285_100000211926 [1,0,0,1,0,0|2,0,0]=4 8188 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [1,0,0,1,0,0|2,0,0]=4 8189 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [1,0,0,1,0,0|2,0,0]=4 8190 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [1,0,0,1,0,0|2,0,0]=4 8191 B11R1.18 COCCN1CCC[C@@H]1CO 2230a_100000745186_100011201679 [1,0,0,1,0,0|2,0,0]=4 8192 B11R1.18 COCCN1CCC[C@@H]1CO 269982a_100000745186_100000233755 [1,0,0,1,0,0|2,0,0]=4 8193 B11R1.18 COCCN1CCC[C@@H]1CO 34a_100000745186_100011201679 [1,0,0,1,0,0|2,0,0]=4 8194 B11R1.28 BrCCCOC1CCCOC1 34a_100011217188_100000693364 [1,0,0,1,0,0|2,0,0]=4 8195 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [1,0,0,1,0,0|2,0,0]=4 8196 B11R1.28 BrCCOCC1CCCOC1 34a_100000211926_100000741521 [1,0,0,1,0,0|2,0,0]=4 8197 B11R1.28 C#CCCOC1CCCOC1 34a_100000754041_100000688953 [1,0,0,1,0,0|1,0,1]=4 8198 B11R1.28 C#CCCOC1CCCOC1 34a_100011215631_100000693364 [1,0,0,1,0,0|1,0,1]=4 8199 B11R1.28 C#CCOC[C@H]1COCCO1 34a_100009875890_100000184674 [1,0,0,1,0,0|0,0,2]=4 8200 B11R1.28 C/C=C/COC1CCCOC1 34a_100000754041_100102629194 [1,0,0,1,0,0|1,0,1]=4 8201 B11R1.28 C/C=C/COC1CCCOC1 34a_100016270725_100000693364 [1,0,0,1,0,0|1,0,1]=4 8202 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [1,0,0,1,0,0|1,0,1]=4 8203 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [1,0,0,1,0,0|1,0,1]=4 8204 B11R1.28 C=CCOC[C@H]1COCCO1 34a_100009875890_100015514636 [1,0,0,1,0,0|0,0,2]=4 8205 B11R1.28 CC#CCOC1CCCOC1 34a_100000754041_100000748600 [1,0,0,1,0,0|1,0,1]=4 8206 B11R1.28 CC#CCOC1CCCOC1 34a_100000761923_100000693364 [1,0,0,1,0,0|1,0,1]=4 8207 B11R1.28 CC=CCOC1CCCOC1 34a_100000754041_100000070051 [1,0,0,1,0,0|1,0,1]=4 8208 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [1,0,0,1,0,0|2,0,0]=4 8209 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [1,0,0,1,0,0|2,0,0]=4 8210 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [1,0,0,1,0,0|2,0,0]=4 8211 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [1,0,0,1,0,0|2,0,0]=4 8212 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [1,0,0,1,0,0|2,0,0]=4 8213 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [1,0,0,1,0,0|2,0,0]=4 8214 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [1,0,0,1,0,0|2,0,0]=4 8215 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [1,0,0,1,0,0|2,0,0]=4 8216 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,1,0,0|2,0,0]=4 8217 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [1,0,0,1,0,0|1,0,0]=3 8218 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [1,0,0,1,0,0|1,0,0]=3 8219 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [1,0,0,1,0,0|1,0,0]=3 8220 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [1,0,0,1,0,0|1,1,0]=4 8221 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [1,0,0,1,0,0|1,1,0]=4 8222 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,1,0,0|2,0,0]=4 8223 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,1,0,0|2,0,0]=4 8224 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [1,0,0,1,0,0|2,0,0]=4 8225 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [1,0,0,1,0,0|2,0,0]=4 8226 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [1,0,0,1,0,0|1,0,0]=3 8227 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [1,0,0,1,0,0|1,0,0]=3 8228 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,0,0,1,0,0|2,0,0]=4 8229 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,0,0,1,0,0|2,0,0]=4 8230 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,0,0,1,0,0|2,0,0]=4 8231 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [1,0,0,1,0,0|2,0,0]=4 8232 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,1,0,0|1,0,0]=3 8233 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,1,0,0|1,0,0]=3 8234 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,1,0,0|1,0,0]=3 8235 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [1,0,0,1,0,0|2,0,0]=4 8236 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [1,0,0,1,0,0|1,0,0]=3 8237 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [1,0,0,1,0,0|1,0,0]=3 8238 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [1,0,0,1,0,0|1,0,0]=3 8239 B11R1.28 CCCOC[C@@H]1COCCN1 34a_100000717676_100000210303 [1,0,0,1,0,0|1,0,0]=3 8240 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [1,0,0,1,0,0|0,0,0]=2 8241 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,1,0,0|1,1,0]=4 8242 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,1,0,0|1,1,0]=4 8243 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [1,0,0,1,0,0|1,1,0]=4 8244 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [1,0,0,1,0,0|1,1,0]=4 8245 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [1,0,0,1,0,0|2,0,0]=4 8246 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [1,0,0,1,0,0|2,0,0]=4 8247 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [1,0,0,1,0,0|2,0,0]=4 8248 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [1,0,0,1,0,0|2,0,0]=4 8249 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [1,0,0,1,0,0|2,0,0]=4 8250 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [1,0,0,1,0,0|2,0,0]=4 8251 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [1,0,0,1,0,0|2,0,0]=4 8252 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|2,0,0]=4 8253 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|2,0,0]=4 8254 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|2,0,0]=4 8255 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [1,0,0,1,0,0|2,0,0]=4 8256 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [1,0,0,1,0,0|2,0,0]=4 8257 B11R1.28 COCCCN1CCCOC1 2230a_100000131196_100000740836 [1,0,0,1,0,0|2,0,0]=4 8258 B11R1.28 COCCCN1CCCOC1 269982a_100000131196_100000740836 [1,0,0,1,0,0|2,0,0]=4 8259 B11R1.28 COCCCN1CCCOC1 34a_100000131196_100000740836 [1,0,0,1,0,0|2,0,0]=4 8260 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [1,0,0,1,0,0|2,0,0]=4 8261 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [1,0,0,1,0,0|2,0,0]=4 8262 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [1,0,0,1,0,0|2,0,0]=4 8263 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [1,0,0,1,0,0|2,0,0]=4 8264 B11R1.28 COCCNC1CCCOC1 2230a_100000719290_100011201679 [1,0,0,1,0,0|1,0,0]=3 8265 B11R1.28 COCCNC1CCCOC1 270004a_100000209980_100000753404 [1,0,0,1,0,0|1,0,0]=3 8266 B11R1.28 COCCNC1CCCOC1 34a_100000719290_100011201679 [1,0,0,1,0,0|1,0,0]=3 8267 B11R1.28 COCCNC1CCCSC1 270004a_100000209980_100000057913 [1,0,0,1,0,0|1,1,0]=4 8268 B11R1.28 COCCOC1C=CCCC1 34a_100011215024_100011201679 [1,0,0,1,0,0|1,0,1]=4 8269 B11R1.28 COCCOC1CC=CCC1 34a_100000073881_100011201679 [1,0,0,1,0,0|1,0,1]=4 8270 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [1,0,0,1,0,0|1,0,0]=3 8271 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [1,0,0,1,0,0|1,0,0]=3 8272 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [1,0,0,1,0,0|1,0,0]=3 8273 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [1,0,0,1,0,0|1,0,0]=3 8274 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [1,0,0,1,0,0|1,0,0]=3 8275 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [1,0,0,1,0,0|1,0,0]=3 8276 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [1,0,0,1,0,0|1,0,0]=3 8277 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [1,0,0,1,0,0|1,0,0]=3 8278 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [1,0,0,1,0,0|1,0,0]=3 8279 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [1,0,0,1,0,0|1,0,0]=3 8280 B11R1.28 COCCOC1CCCOC1 34a_100000210237_100000693364 [1,0,0,1,0,0|0,0,0]=2 8281 B11R1.28 COCCOC1CCCOC1 34a_100000754041_100011201679 [1,0,0,1,0,0|0,0,0]=2 8282 B11R1.28 COCCOC1CCCSC1 7a_100015962668_100000233755 [1,0,0,1,0,0|0,1,0]=3 8283 B11R1.28 COCCOC1CCOCC1 34a_100000744328_100011201679 [1,0,0,1,0,0|2,0,0]=4 8284 B11R1.28 COCCOC1CCSCC1 34a_100000210237_100000069128 [1,0,0,1,0,0|2,0,0]=4 8285 B11R1.28 COCCOC1CCSCC1 34a_100000731022_100011201679 [1,0,0,1,0,0|2,0,0]=4 8286 B11R1.28 COCCOC1CCSCC1 7a_100000731022_100000233755 [1,0,0,1,0,0|2,0,0]=4 8287 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [1,0,0,1,0,0|1,1,0]=4 8288 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [1,0,0,1,0,0|1,1,0]=4 8289 B11R1.28 COCCSC1CCCOC1 62a_100000233755_100000693364 [1,0,0,1,0,0|0,1,0]=3 8290 B11R1.28 COCNCC1CCCCO1 2230a_100000174945_100000766300 [1,0,0,1,0,0|2,0,0]=4 8291 B11R1.28 COCNCC1CCCOC1 2230a_100000720124_100000766300 [1,0,0,1,0,0|2,0,0]=4 8292 B11R1.28 COCNC[C@H]1COCCO1 2230a_100010981119_100000766300 [1,0,0,1,0,0|1,0,0]=3 8293 B11R1.28 COCSCC1CCCCO1 62a_100000211543_100000766300 [1,0,0,1,0,0|1,1,0]=4 8294 B11R1.28 COCSCC1CCCCO1 62a_100000766300_100000211543 [1,0,0,1,0,0|1,1,0]=4 8295 B11R1.28 COCSCC1CCCOC1 62a_100000741521_100000766300 [1,0,0,1,0,0|1,1,0]=4 8296 B11R1.28 COCSCC1CCCOC1 62a_100000766300_100000741521 [1,0,0,1,0,0|1,1,0]=4 8297 B11R1.28 CSCCNC1CCCOC1 2230a_100000719290_100000751147 [1,0,0,1,0,0|1,1,0]=4 8298 B11R1.28 CSCCNC1CCCOC1 270004a_100020590264_100000753404 [1,0,0,1,0,0|1,1,0]=4 8299 B11R1.28 CSCCNC1CCCOC1 34a_100000719290_100000212216 [1,0,0,1,0,0|1,1,0]=4 8300 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [1,0,0,1,0,0|1,1,0]=4 8301 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [1,0,0,1,0,0|1,1,0]=4 8302 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [1,0,0,1,0,0|1,1,0]=4 8303 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [1,0,0,1,0,0|1,1,0]=4 8304 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [1,0,0,1,0,0|1,1,0]=4 8305 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [1,0,0,1,0,0|1,1,0]=4 8306 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [1,0,0,1,0,0|1,1,0]=4 8307 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [1,0,0,1,0,0|1,1,0]=4 8308 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [1,0,0,1,0,0|1,1,0]=4 8309 B11R1.28 CSCCOC1CCCOC1 34a_100000230434_100000693364 [1,0,0,1,0,0|0,1,0]=3 8310 B11R1.28 CSCCOC1CCCOC1 34a_100000754041_100000212216 [1,0,0,1,0,0|0,1,0]=3 8311 B11R1.28 CSCCOC1CCCOC1 7a_100000230434_100000693364 [1,0,0,1,0,0|0,1,0]=3 8312 B11R1.28 CSCCOC1CCCSC1 7a_100015962668_100000212216 [1,0,0,1,0,0|0,2,0]=4 8313 B11R1.28 CSCCSC1CCCOC1 62a_100000212216_100000693364 [1,0,0,1,0,0|0,2,0]=4 8314 B11R1.28 CSCNC[C@H]1COCCO1 2230a_100010981119_100011218213 [1,0,0,1,0,0|1,1,0]=4 8315 B11R1.28 CSCNC[C@H]1COCCO1 34a_100010981119_100011218213 [1,0,0,1,0,0|1,1,0]=4 8316 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [1,0,0,1,0,0|1,1,0]=4 8317 B11R1.28 CSCOCC1CCCOC1 34a_100000741520_100011218213 [1,0,0,1,0,0|1,1,0]=4 8318 B11R1.28 CSCOC[C@@H]1CNCCO1 34a_100015189573_100011218213 [1,0,0,1,0,0|1,1,0]=4 8319 B11R1.28 CSCOC[C@@H]1COCCN1 34a_100000717676_100011218213 [1,0,0,1,0,0|1,1,0]=4 8320 B11R1.28 CSCOC[C@H]1COCCO1 34a_100009875890_100011218213 [1,0,0,1,0,0|0,1,0]=3 8321 B11R1.28 ClCCCOC1CCCOC1 34a_100000230001_100000693364 [1,0,0,1,0,0|2,0,0]=4 8322 B11R1.28 FCCCOC1CCCOC1 34a_100000754041_100011934791 [1,0,0,1,0,0|2,0,0]=4 8323 B11R1.28 FCCCOC1CCCOC1 34a_100000759539_100000693364 [1,0,0,1,0,0|2,0,0]=4 8324 B11R1.28 FCCNC[C@H]1COCCO1 2230a_100010981119_100011217306 [1,0,0,1,0,0|2,0,0]=4 8325 B11R1.28 FCCNC[C@H]1COCCO1 34a_100010981119_100011217306 [1,0,0,1,0,0|2,0,0]=4 8326 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [1,0,0,1,0,0|2,0,0]=4 8327 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [1,0,0,1,0,0|2,0,0]=4 8328 B11R1.28 FCCOCC1CCCOC1 34a_100000741520_100011217306 [1,0,0,1,0,0|2,0,0]=4 8329 B11R1.28 FCCOC[C@@H]1CNCCO1 34a_100015189573_100011217306 [1,0,0,1,0,0|2,0,0]=4 8330 B11R1.28 FCCOC[C@@H]1COCCN1 34a_100000717676_100011217306 [1,0,0,1,0,0|2,0,0]=4 8331 B11R1.28 FCCOC[C@H]1COCCO1 34a_100009875890_100011217306 [1,0,0,1,0,0|1,0,0]=3 8332 B11R1.28 NCCCOC1CCCOC1 34a_100000182051_100000693364 [1,0,0,1,0,0|2,0,0]=4 8333 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [1,0,0,1,0,0|2,0,0]=4 8334 B11R1.28 NCCOCC1CCCOC1 34a_100000210304_100000741521 [1,0,0,1,0,0|2,0,0]=4 8335 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [1,0,0,1,0,0|2,0,0]=4 8336 B11R1.28 NOCCOC1CCCOC1 34a_100000700252_100000693364 [1,0,0,1,0,0|1,0,0]=3 8337 B11R1.28 O=CCOC[C@H]1COCCO1 34a_100009875890_200009817547 [1,0,0,1,0,0|0,0,2]=4 8338 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [1,0,0,1,0,0|2,0,0]=4 8339 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [1,0,0,1,0,0|2,0,0]=4 8340 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [1,0,0,1,0,0|2,0,0]=4 8341 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [1,0,0,1,0,0|2,0,0]=4 8342 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [1,0,0,1,0,0|2,0,0]=4 8343 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [1,0,0,1,0,0|2,0,0]=4 8344 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [1,0,0,1,0,0|2,0,0]=4 8345 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [1,0,0,1,0,0|2,0,0]=4 8346 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [1,0,0,1,0,0|2,0,0]=4 8347 B11R1.28 OCCNC[C@H]1COCCO1 2230a_100010981119_100000211926 [1,0,0,1,0,0|1,0,0]=3 8348 B11R1.28 OCCNC[C@H]1COCCO1 34a_100010981119_100000211926 [1,0,0,1,0,0|1,0,0]=3 8349 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [1,0,0,1,0,0|2,0,0]=4 8350 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [1,0,0,1,0,0|2,0,0]=4 8351 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [1,0,0,1,0,0|2,0,0]=4 8352 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [1,0,0,1,0,0|1,0,0]=3 8353 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [1,0,0,1,0,0|1,0,0]=3 8354 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [1,0,0,1,0,0|2,0,0]=4 8355 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [1,0,0,1,0,0|1,0,0]=3 8356 B11R1.28 OCCOC[C@@H]1CNCCO1 34a_100015189573_100000211926 [1,0,0,1,0,0|1,0,0]=3 8357 B11R1.28 OCCOC[C@@H]1COCCN1 34a_100000717676_100000211926 [1,0,0,1,0,0|1,0,0]=3 8358 B11R1.28 OCCOC[C@H]1COCCO1 34a_100009875890_100000211926 [1,0,0,1,0,0|0,0,0]=2 8359 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [1,0,0,1,0,0|1,1,0]=4 8360 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [1,0,0,1,0,0|1,1,0]=4 8361 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [1,0,0,1,0,0|1,1,0]=4 8362 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [1,0,0,1,0,0|1,1,0]=4 8363 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [1,0,0,1,0,0|2,0,0]=4 8364 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|2,0,0]=4 8365 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|2,0,0]=4 8366 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [1,0,0,1,0,0|2,0,0]=4 8367 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [1,0,0,1,0,0|2,0,0]=4 8368 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [1,0,0,1,0,0|2,0,0]=4 8369 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [1,0,0,1,0,0|1,0,0]=3 8370 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [1,0,0,1,0,0|1,0,0]=3 8371 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [1,0,0,1,0,0|1,0,0]=3 8372 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [1,0,0,1,0,0|1,0,0]=3 8373 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [1,0,0,1,0,0|1,1,0]=4 8374 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [1,0,0,1,0,0|1,1,0]=4 8375 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [1,0,0,1,0,0|1,1,0]=4 8376 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [1,0,0,1,0,0|1,1,0]=4 8377 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|2,0,0]=4 8378 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|2,0,0]=4 8379 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|2,0,0]=4 8380 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|2,0,0]=4 8381 B11R1.41 CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210303 [1,0,0,1,0,0|2,0,0]=4 8382 B11R1.41 CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210303 [1,0,0,1,0,0|2,0,0]=4 8383 B11R1.41 CCCN1CCOC[C@@H]1CC 34a_100016988097_100000210303 [1,0,0,1,0,0|2,0,0]=4 8384 B11R1.41 CCNC1CCOCC1OC 270004a_100015525214_100000095984 [1,0,0,1,0,0|2,0,0]=4 8385 B11R1.41 CC[C@H]1COCCN1CCO 2230a_100016988097_100000211926 [1,0,0,1,0,0|2,0,0]=4 8386 B11R1.41 CC[C@H]1COCCN1CCO 269982a_100016988097_100000211926 [1,0,0,1,0,0|2,0,0]=4 8387 B11R1.41 CC[C@H]1COCCN1CCO 34a_100016988097_100000211926 [1,0,0,1,0,0|2,0,0]=4 8388 B11R1.41 CC[C@H]1COCCN1COC 2230a_100016988097_100000766300 [1,0,0,1,0,0|2,0,0]=4 8389 B11R1.41 CC[C@H]1COCCN1COC 269982a_100016988097_100000766300 [1,0,0,1,0,0|2,0,0]=4 8390 B11R1.47 BrCCCCCOC1COC1 34a_100000746331_100009818527 [1,0,0,1,0,0|2,0,0]=4 8391 B11R1.47 BrCCCCCOC1COC1 7a_100000746331_100009818527 [1,0,0,1,0,0|2,0,0]=4 8392 B11R1.47 BrCCOCCOC1CCC1 34a_100000692535_100000749161 [1,0,0,1,0,0|2,0,0]=4 8393 B11R1.47 BrCCOCCOC1COC1 34a_100000692535_100009818527 [1,0,0,1,0,0|1,0,0]=3 8394 B11R1.47 BrCCOCCOC1COC1 7a_100000692535_100009818527 [1,0,0,1,0,0|1,0,0]=3 8395 B11R1.47 C#CCCCCOC1COC1 34a_100000766709_100009818527 [1,0,0,1,0,0|1,0,1]=4 8396 B11R1.47 C#CCCCCOC1COC1 7a_100000766709_100009818527 [1,0,0,1,0,0|1,0,1]=4 8397 B11R1.47 C#CCCOCCC1COC1 34a_100009855314_100000688953 [1,0,0,1,0,0|1,0,1]=4 8398 B11R1.47 C#CCOCCOC1COC1 34a_100000054580_100009818527 [1,0,0,1,0,0|0,0,2]=4 8399 B11R1.47 C#CCOCCOC1COC1 7a_100000054580_100009818527 [1,0,0,1,0,0|0,0,2]=4 8400 B11R1.47 C/C=C/COCCC1COC1 34a_100009855314_100102629194 [1,0,0,1,0,0|1,0,1]=4 8401 B11R1.47 C=CCCCCOC1COC1 34a_100000766645_100009818527 [1,0,0,1,0,0|1,0,1]=4 8402 B11R1.47 C=CCCCCOC1COC1 7a_100000766645_100009818527 [1,0,0,1,0,0|1,0,1]=4 8403 B11R1.47 C=CCCOCCC1COC1 34a_100009855314_100000754431 [1,0,0,1,0,0|1,0,1]=4 8404 B11R1.47 C=CCOCCOC1COC1 34a_100000037705_100009818527 [1,0,0,1,0,0|0,0,2]=4 8405 B11R1.47 C=CCOCCOC1COC1 7a_100000037705_100009818527 [1,0,0,1,0,0|0,0,2]=4 8406 B11R1.47 CC#CCOCCC1COC1 34a_100009855314_100000748600 [1,0,0,1,0,0|1,0,1]=4 8407 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [1,0,0,1,0,0|1,0,1]=4 8408 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [1,0,0,1,0,0|1,0,1]=4 8409 B11R1.47 CC=CCCCOC1COC1 34a_100020645299_100009818527 [1,0,0,1,0,0|1,0,1]=4 8410 B11R1.47 CC=CCOCCC1COC1 34a_100009855314_100000070051 [1,0,0,1,0,0|1,0,1]=4 8411 B11R1.47 CCC#CCCOC1COC1 34a_100000036655_100009818527 [1,0,0,1,0,0|1,0,1]=4 8412 B11R1.47 CCC#CCCOC1COC1 7a_100000036655_100009818527 [1,0,0,1,0,0|1,0,1]=4 8413 B11R1.47 CCC/C=C/COC1COC1 34a_100016278788_100009818527 [1,0,0,1,0,0|1,0,1]=4 8414 B11R1.47 CCC/C=C/COC1COC1 7a_100016278788_100009818527 [1,0,0,1,0,0|1,0,1]=4 8415 B11R1.47 CCCC#CCOC1COC1 34a_100000034806_100009818527 [1,0,0,1,0,0|1,0,1]=4 8416 B11R1.47 CCCC#CCOC1COC1 7a_100000034806_100009818527 [1,0,0,1,0,0|1,0,1]=4 8417 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [1,0,0,1,0,0|2,0,0]=4 8418 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [1,0,0,1,0,0|2,0,0]=4 8419 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [1,0,0,1,0,0|2,0,0]=4 8420 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [1,0,0,1,0,0|1,0,0]=3 8421 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [1,0,0,1,0,0|1,0,0]=3 8422 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [1,0,0,1,0,0|1,1,0]=4 8423 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [1,0,0,1,0,0|1,1,0]=4 8424 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [1,0,0,1,0,0|1,0,0]=3 8425 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [1,0,0,1,0,0|2,0,0]=4 8426 B11R1.47 CCCCOCNC1COC1 2230a_100016991112_100011995733 [1,0,0,1,0,0|2,0,0]=4 8427 B11R1.47 CCCCOCOC1CCC1 34a_100000748187_100011995733 [1,0,0,1,0,0|2,0,0]=4 8428 B11R1.47 CCCCOCSC1COC1 62a_100011995733_100009818527 [1,0,0,1,0,0|1,1,0]=4 8429 B11R1.47 CCCOCCNC1CCC1 2230a_100000749019_100011215938 [1,0,0,1,0,0|2,0,0]=4 8430 B11R1.47 CCCOCCNC1CCC1 270004a_100161115042_100000241760 [1,0,0,1,0,0|2,0,0]=4 8431 B11R1.47 CCCOCCNC1CCC1 34a_100000749019_100011215938 [1,0,0,1,0,0|2,0,0]=4 8432 B11R1.47 CCCOCCNC1CCC1 34a_100161115042_100000749161 [1,0,0,1,0,0|2,0,0]=4 8433 B11R1.47 CCCOCCNC1COC1 2230a_100016991112_100011215938 [1,0,0,1,0,0|1,0,0]=3 8434 B11R1.47 CCCOCCNC1COC1 34a_100161115042_100009818527 [1,0,0,1,0,0|1,0,0]=3 8435 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [1,0,0,1,0,0|1,0,0]=3 8436 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [1,0,0,1,0,0|1,0,0]=3 8437 B11R1.47 CCCOCCOC1COC1 34a_100000752267_100009818527 [1,0,0,1,0,0|0,0,0]=2 8438 B11R1.47 CCCOCCOC1COC1 7a_100000752267_100009818527 [1,0,0,1,0,0|0,0,0]=2 8439 B11R1.47 CCCOCCOC1CSC1 7a_100000072292_100011215938 [1,0,0,1,0,0|0,1,0]=3 8440 B11R1.47 CCCOCCSC1CCC1 62a_100011215938_100000749161 [1,0,0,1,0,0|1,1,0]=4 8441 B11R1.47 CCCOCCSC1COC1 62a_100011215938_100009818527 [1,0,0,1,0,0|0,1,0]=3 8442 B11R1.47 CCCSCCOC1CCC1 34a_200000230433_100000749161 [1,0,0,1,0,0|1,1,0]=4 8443 B11R1.47 CCCSCCOC1COC1 34a_200000230433_100009818527 [1,0,0,1,0,0|0,1,0]=3 8444 B11R1.47 CCCSCCOC1COC1 7a_200000230433_100009818527 [1,0,0,1,0,0|0,1,0]=3 8445 B11R1.47 CCOCCCOC1COC1 34a_100000757476_100009818527 [1,0,0,1,0,0|2,0,0]=4 8446 B11R1.47 CCOCCCOC1COC1 7a_100000757476_100009818527 [1,0,0,1,0,0|2,0,0]=4 8447 B11R1.47 CCSCCCOC1COC1 34a_100011216438_100009818527 [1,0,0,1,0,0|2,0,0]=4 8448 B11R1.47 CCSCCCOC1COC1 7a_100011216438_100009818527 [1,0,0,1,0,0|2,0,0]=4 8449 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [1,0,0,1,0,0|2,0,0]=4 8450 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [1,0,0,1,0,0|2,0,0]=4 8451 B11R1.47 COCCCCNC1COC1 2230a_100016991112_100000730899 [1,0,0,1,0,0|1,0,0]=3 8452 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [1,0,0,1,0,0|1,0,0]=3 8453 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [1,0,0,1,0,0|1,0,0]=3 8454 B11R1.47 COCCCCOC1COC1 34a_100000740925_100009818527 [1,0,0,1,0,0|0,0,0]=2 8455 B11R1.47 COCCCCOC1CSC1 7a_100000072292_100000730899 [1,0,0,1,0,0|0,1,0]=3 8456 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [1,0,0,1,0,0|1,1,0]=4 8457 B11R1.47 COCCCCSC1COC1 62a_100000730899_100009818527 [1,0,0,1,0,0|0,1,0]=3 8458 B11R1.47 COCCCNCC1COC1 2230a_100015281925_100000740836 [1,0,0,1,0,0|2,0,0]=4 8459 B11R1.47 COCCCNCC1COC1 34a_100015281925_100000740836 [1,0,0,1,0,0|2,0,0]=4 8460 B11R1.47 COCCCNCC1COC1 34a_100150723488_100010264016 [1,0,0,1,0,0|2,0,0]=4 8461 B11R1.47 COCCCOCC1COC1 34a_100000060846_100000740836 [1,0,0,1,0,0|2,0,0]=4 8462 B11R1.47 COCCCOCC1COC1 34a_100000740835_100010264016 [1,0,0,1,0,0|2,0,0]=4 8463 B11R1.47 COCCCSCC1COC1 62a_100000709357_100010264016 [1,0,0,1,0,0|2,0,0]=4 8464 B11R1.47 COCCCSCC1COC1 62a_100010264016_100000709357 [1,0,0,1,0,0|2,0,0]=4 8465 B11R1.47 COCCOCCC1COC1 34a_100009855314_100011201679 [1,0,0,1,0,0|0,0,0]=2 8466 B11R1.47 COCCOCCN1CCC1 269982a_100000754969_100000695917 [1,0,0,1,0,0|1,0,0]=3 8467 B11R1.47 COCCOCNC1CCC1 2230a_100000749019_100000231047 [1,0,0,1,0,0|2,0,0]=4 8468 B11R1.47 COCCOCNC1COC1 2230a_100016991112_100000231047 [1,0,0,1,0,0|1,0,0]=3 8469 B11R1.47 COCCOCSC1CCC1 62a_100000231047_100000749161 [1,0,0,1,0,0|1,1,0]=4 8470 B11R1.47 COCCOCSC1COC1 62a_100000231047_100009818527 [1,0,0,1,0,0|0,1,0]=3 8471 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [1,0,0,1,0,0|1,1,0]=4 8472 B11R1.47 CSCCCCOC1COC1 34a_100011217163_100009818527 [1,0,0,1,0,0|0,1,0]=3 8473 B11R1.47 CSCCCCOC1COC1 7a_100011217163_100009818527 [1,0,0,1,0,0|0,1,0]=3 8474 B11R1.47 CSCCOCCC1COC1 34a_100009855314_100000212216 [1,0,0,1,0,0|0,1,0]=3 8475 B11R1.47 ClCCCCCOC1COC1 34a_100000746330_100009818527 [1,0,0,1,0,0|2,0,0]=4 8476 B11R1.47 ClCCCCCOC1COC1 7a_100000746330_100009818527 [1,0,0,1,0,0|2,0,0]=4 8477 B11R1.47 ClCCOCCOC1CCC1 34a_100011215305_100000749161 [1,0,0,1,0,0|2,0,0]=4 8478 B11R1.47 ClCCOCCOC1COC1 34a_100011215305_100009818527 [1,0,0,1,0,0|1,0,0]=3 8479 B11R1.47 ClCCOCCOC1COC1 7a_100011215305_100009818527 [1,0,0,1,0,0|1,0,0]=3 8480 B11R1.47 FCCCOCCC1COC1 34a_100009855314_100011934791 [1,0,0,1,0,0|2,0,0]=4 8481 B11R1.47 FCCOCCOC1CCC1 34a_200015357709_100000749161 [1,0,0,1,0,0|2,0,0]=4 8482 B11R1.47 FCCOCCOC1COC1 34a_200015357709_100009818527 [1,0,0,1,0,0|1,0,0]=3 8483 B11R1.47 FCCOCCOC1COC1 7a_200015357709_100009818527 [1,0,0,1,0,0|1,0,0]=3 8484 B11R1.47 ICCCCCOC1COC1 34a_200012148887_100009818527 [1,0,0,1,0,0|2,0,0]=4 8485 B11R1.47 ICCCCCOC1COC1 7a_200012148887_100009818527 [1,0,0,1,0,0|2,0,0]=4 8486 B11R1.47 ICCOCCOC1CCC1 34a_100012149058_100000749161 [1,0,0,1,0,0|2,0,0]=4 8487 B11R1.47 ICCOCCOC1COC1 34a_100012149058_100009818527 [1,0,0,1,0,0|1,0,0]=3 8488 B11R1.47 ICCOCCOC1COC1 7a_100012149058_100009818527 [1,0,0,1,0,0|1,0,0]=3 8489 B11R1.47 NCCCCCOC1COC1 34a_100000762737_100009818527 [1,0,0,1,0,0|2,0,0]=4 8490 B11R1.47 NCCOCCOC1CCC1 34a_100000211614_100000749161 [1,0,0,1,0,0|2,0,0]=4 8491 B11R1.47 NCCOCCOC1COC1 34a_100000211614_100009818527 [1,0,0,1,0,0|1,0,0]=3 8492 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [1,0,0,1,0,0|2,0,0]=4 8493 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [1,0,0,1,0,0|2,0,0]=4 8494 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [1,0,0,1,0,0|2,0,0]=4 8495 B11R1.47 OCCCCCOC1CSC1 7a_100000072292_100000746330 [1,0,0,1,0,0|1,1,0]=4 8496 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [1,0,0,1,0,0|1,1,0]=4 8497 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [1,0,0,1,0,0|2,0,0]=4 8498 B11R1.47 OCCOCCNC1CCC1 2230a_100000749019_100011215305 [1,0,0,1,0,0|2,0,0]=4 8499 B11R1.47 OCCOCCNC1CCC1 270004a_100000211614_100000241760 [1,0,0,1,0,0|2,0,0]=4 8500 B11R1.47 OCCOCCNC1CCC1 34a_100000211614_100000749161 [1,0,0,1,0,0|2,0,0]=4 8501 B11R1.47 OCCOCCNC1CCC1 34a_100000749019_100000692535 [1,0,0,1,0,0|2,0,0]=4 8502 B11R1.47 OCCOCCNC1COC1 2230a_100016991112_100011215305 [1,0,0,1,0,0|1,0,0]=3 8503 B11R1.47 OCCOCCNC1COC1 34a_100000211614_100009818527 [1,0,0,1,0,0|1,0,0]=3 8504 B11R1.47 OCCOCCOC1CCC1 34a_100000748187_100000692535 [1,0,0,1,0,0|1,0,0]=3 8505 B11R1.47 OCCOCCOC1CSC1 7a_100000072292_100011215305 [1,0,0,1,0,0|0,1,0]=3 8506 B11R1.47 OCCOCCSC1CCC1 62a_100011215305_100000749161 [1,0,0,1,0,0|1,1,0]=4 8507 B11R1.47 OCCOCCSC1COC1 62a_100011215305_100009818527 [1,0,0,1,0,0|0,1,0]=3 8508 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [1,0,0,1,0,0|2,0,0]=4 8509 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [1,0,0,1,0,0|2,0,0]=4 8510 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [1,0,0,1,0,0|2,0,0]=4 8511 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [1,0,0,1,0,0|2,0,0]=4 8512 B11R1.99 BrCCOCCOCC1CC1 34a_100000692535_100000742324 [1,0,0,1,0,0|2,0,0]=4 8513 B11R1.99 BrCCOCCOCC1CC1 7a_100000692535_100000742324 [1,0,0,1,0,0|2,0,0]=4 8514 B11R1.99 BrCCOCCOCC1CO1 34a_100000692535_102125554688 [1,0,0,1,0,0|1,0,0]=3 8515 B11R1.99 BrCCOCCOCC1CO1 7a_100000692535_102125554688 [1,0,0,1,0,0|1,0,0]=3 8516 B11R1.99 BrCCOCCOCC1CS1 7a_100000692535_100000031435 [1,0,0,1,0,0|1,1,0]=4 8517 B11R1.99 BrCCOCCOC[C@@H]1CO1 7a_100000692535_100000745022 [1,0,0,1,0,0|1,0,0]=3 8518 B11R1.99 C#CCCCCOCC1CO1 34a_100000766709_102125554688 [1,0,0,1,0,0|1,0,1]=4 8519 B11R1.99 C#CCCCCOCC1CO1 7a_100000766709_102125554688 [1,0,0,1,0,0|1,0,1]=4 8520 B11R1.99 C#CCCCCOC[C@@H]1CO1 34a_100000757423_100010269958 [1,0,0,1,0,0|1,0,1]=4 8521 B11R1.99 C#CCCCCOC[C@@H]1CO1 7a_100000766709_100000745022 [1,0,0,1,0,0|1,0,1]=4 8522 B11R1.99 C#CCCOCCCC1CO1 34a_100011215631_100000733510 [1,0,0,1,0,0|1,0,1]=4 8523 B11R1.99 C#CCOCCOCC1CO1 34a_100000054580_102125554688 [1,0,0,1,0,0|0,0,2]=4 8524 B11R1.99 C#CCOCCOCC1CO1 7a_100000054580_102125554688 [1,0,0,1,0,0|0,0,2]=4 8525 B11R1.99 C#CCOCCOC[C@@H]1CO1 34a_100000757423_100010402529 [1,0,0,1,0,0|0,0,2]=4 8526 B11R1.99 C#CCOCCOC[C@@H]1CO1 7a_100000054580_100000745022 [1,0,0,1,0,0|0,0,2]=4 8527 B11R1.99 C/C=C/COCCCC1CO1 34a_100016270725_100000733510 [1,0,0,1,0,0|1,0,1]=4 8528 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [1,0,0,1,0,0|1,0,1]=4 8529 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [1,0,0,1,0,0|1,0,1]=4 8530 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [1,0,0,1,0,0|1,0,1]=4 8531 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [1,0,0,1,0,0|1,0,1]=4 8532 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [1,0,0,1,0,0|1,0,1]=4 8533 B11R1.99 C=CCOCCOCC1CO1 34a_100000037705_102125554688 [1,0,0,1,0,0|0,0,2]=4 8534 B11R1.99 C=CCOCCOCC1CO1 7a_100000037705_102125554688 [1,0,0,1,0,0|0,0,2]=4 8535 B11R1.99 C=CCOCCOC[C@@H]1CO1 7a_100000037705_100000745022 [1,0,0,1,0,0|0,0,2]=4 8536 B11R1.99 CC#CCOCCCC1CO1 34a_100000761923_100000733510 [1,0,0,1,0,0|1,0,1]=4 8537 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [1,0,0,1,0,0|1,0,1]=4 8538 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [1,0,0,1,0,0|1,0,1]=4 8539 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [1,0,0,1,0,0|1,0,1]=4 8540 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [1,0,0,1,0,0|1,0,1]=4 8541 B11R1.99 CC=CCCCOCC1CO1 34a_100020645299_102125554688 [1,0,0,1,0,0|1,0,1]=4 8542 B11R1.99 CCC#CCCOCC1CO1 34a_100000036655_102125554688 [1,0,0,1,0,0|1,0,1]=4 8543 B11R1.99 CCC#CCCOCC1CO1 7a_100000036655_102125554688 [1,0,0,1,0,0|1,0,1]=4 8544 B11R1.99 CCC#CCCOC[C@@H]1CO1 7a_100000036655_100000745022 [1,0,0,1,0,0|1,0,1]=4 8545 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [1,0,0,1,0,0|1,0,1]=4 8546 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [1,0,0,1,0,0|1,0,1]=4 8547 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [1,0,0,1,0,0|1,0,1]=4 8548 B11R1.99 CCCC#CCOCC1CO1 34a_100000034806_102125554688 [1,0,0,1,0,0|1,0,1]=4 8549 B11R1.99 CCCC#CCOCC1CO1 7a_100000034806_102125554688 [1,0,0,1,0,0|1,0,1]=4 8550 B11R1.99 CCCC#CCOC[C@@H]1CO1 7a_100000034806_100000745022 [1,0,0,1,0,0|1,0,1]=4 8551 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [1,0,0,1,0,0|2,0,0]=4 8552 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [1,0,0,1,0,0|2,0,0]=4 8553 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [1,0,0,1,0,0|2,0,0]=4 8554 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [1,0,0,1,0,0|2,0,0]=4 8555 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [1,0,0,1,0,0|2,0,0]=4 8556 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [1,0,0,1,0,0|1,0,0]=3 8557 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [1,0,0,1,0,0|1,0,0]=3 8558 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [1,0,0,1,0,0|1,1,0]=4 8559 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [1,0,0,1,0,0|1,0,0]=3 8560 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [1,0,0,1,0,0|1,0,0]=3 8561 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [1,0,0,1,0,0|1,1,0]=4 8562 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [1,0,0,1,0,0|1,1,0]=4 8563 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [1,0,0,1,0,0|1,1,0]=4 8564 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [1,0,0,1,0,0|1,1,0]=4 8565 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [1,0,0,1,0,0|2,0,0]=4 8566 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [1,0,0,1,0,0|2,0,0]=4 8567 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [1,0,0,1,0,0|1,0,0]=3 8568 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [1,0,0,1,0,0|1,0,0]=3 8569 B11R1.99 CCCCOCCNC1CC1 34a_100000212008_100000743108 [1,0,0,1,0,0|2,0,0]=4 8570 B11R1.99 CCCCOCCNC1CC1 34a_100000738766_100000210210 [1,0,0,1,0,0|2,0,0]=4 8571 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [1,0,0,1,0,0|1,0,0]=3 8572 B11R1.99 CCCCOCCSC1CC1 62a_100000743108_100000211595 [1,0,0,1,0,0|1,1,0]=4 8573 B11R1.99 CCCCOCOCC1CC1 34a_100000211283_100011995733 [1,0,0,1,0,0|2,0,0]=4 8574 B11R1.99 CCCCOCOC[C@@H]1CO1 34a_100000757423_100011995733 [1,0,0,1,0,0|1,0,0]=3 8575 B11R1.99 CCCCOCSCC1CO1 62a_100011995733_102125554688 [1,0,0,1,0,0|1,1,0]=4 8576 B11R1.99 CCCCOCSCC1CO1 62a_102125554688_100011995733 [1,0,0,1,0,0|1,1,0]=4 8577 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100000745022_100011995733 [1,0,0,1,0,0|1,1,0]=4 8578 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100011995733_100000745022 [1,0,0,1,0,0|1,1,0]=4 8579 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [1,0,0,1,0,0|1,1,0]=4 8580 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [1,0,0,1,0,0|1,1,0]=4 8581 B11R1.99 CCCCSCCOC1CC1 34a_200000230436_100000211595 [1,0,0,1,0,0|1,1,0]=4 8582 B11R1.99 CCCOCCNCC1CC1 2230a_100000735609_100011215938 [1,0,0,1,0,0|2,0,0]=4 8583 B11R1.99 CCCOCCNCC1CC1 2230a_100161115042_100000742324 [1,0,0,1,0,0|2,0,0]=4 8584 B11R1.99 CCCOCCNCC1CC1 269862a_100161115042_100000741477 [1,0,0,1,0,0|2,0,0]=4 8585 B11R1.99 CCCOCCNCC1CC1 34a_100000735609_100011215938 [1,0,0,1,0,0|2,0,0]=4 8586 B11R1.99 CCCOCCNCC1CC1 34a_100161115042_100000742324 [1,0,0,1,0,0|2,0,0]=4 8587 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [1,0,0,1,0,0|1,0,0]=3 8588 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [1,0,0,1,0,0|1,0,0]=3 8589 B11R1.99 CCCOCCOCC1CC1 34a_100000211283_100011215938 [1,0,0,1,0,0|1,0,0]=3 8590 B11R1.99 CCCOCCOCC1CC1 34a_100000752267_100000742324 [1,0,0,1,0,0|1,0,0]=3 8591 B11R1.99 CCCOCCOCC1CC1 7a_100000752267_100000742324 [1,0,0,1,0,0|1,0,0]=3 8592 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [1,0,0,1,0,0|0,0,0]=2 8593 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [1,0,0,1,0,0|0,0,0]=2 8594 B11R1.99 CCCOCCOCC1CS1 7a_100000752267_100000031435 [1,0,0,1,0,0|0,1,0]=3 8595 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [1,0,0,1,0,0|0,0,0]=2 8596 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [1,0,0,1,0,0|0,0,0]=2 8597 B11R1.99 CCCOCCSCC1CC1 62a_100000756562_100011215938 [1,0,0,1,0,0|1,1,0]=4 8598 B11R1.99 CCCOCCSCC1CC1 62a_100011215938_100000742324 [1,0,0,1,0,0|1,1,0]=4 8599 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [1,0,0,1,0,0|0,1,0]=3 8600 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [1,0,0,1,0,0|0,1,0]=3 8601 B11R1.99 CCCOCCSCC1CS1 62a_100000031435_100011215938 [1,0,0,1,0,0|0,2,0]=4 8602 B11R1.99 CCCOCCSCC1CS1 62a_100011215938_100000031435 [1,0,0,1,0,0|0,2,0]=4 8603 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [1,0,0,1,0,0|0,1,0]=3 8604 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [1,0,0,1,0,0|0,1,0]=3 8605 B11R1.99 CCCSCCNCC1CO1 2230a_100020603323_100011216344 [1,0,0,1,0,0|1,1,0]=4 8606 B11R1.99 CCCSCCOCC1CC1 34a_200000230433_100000742324 [1,0,0,1,0,0|1,1,0]=4 8607 B11R1.99 CCCSCCOCC1CC1 7a_200000230433_100000742324 [1,0,0,1,0,0|1,1,0]=4 8608 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [1,0,0,1,0,0|0,1,0]=3 8609 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [1,0,0,1,0,0|0,1,0]=3 8610 B11R1.99 CCCSCCOCC1CS1 7a_200000230433_100000031435 [1,0,0,1,0,0|0,2,0]=4 8611 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [1,0,0,1,0,0|0,1,0]=3 8612 B11R1.99 CCOCCCOCC1CO1 34a_100000757476_102125554688 [1,0,0,1,0,0|2,0,0]=4 8613 B11R1.99 CCOCCCOCC1CO1 7a_100000757476_102125554688 [1,0,0,1,0,0|2,0,0]=4 8614 B11R1.99 CCOCCCOC[C@@H]1CO1 34a_100000757423_100012232248 [1,0,0,1,0,0|2,0,0]=4 8615 B11R1.99 CCOCCCOC[C@@H]1CO1 7a_100000757476_100000745022 [1,0,0,1,0,0|2,0,0]=4 8616 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [1,0,0,1,0,0|2,0,0]=4 8617 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [1,0,0,1,0,0|2,0,0]=4 8618 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [1,0,0,1,0,0|2,0,0]=4 8619 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [1,0,0,1,0,0|2,0,0]=4 8620 B11R1.99 CNCCOCCOC1CC1 34a_100000228057_100000211595 [1,0,0,1,0,0|1,0,0]=3 8621 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [1,0,0,1,0,0|2,0,0]=4 8622 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [1,0,0,1,0,0|2,0,0]=4 8623 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [1,0,0,1,0,0|2,0,0]=4 8624 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [1,0,0,1,0,0|1,0,0]=3 8625 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [1,0,0,1,0,0|1,0,0]=3 8626 B11R1.99 COCCCCOCC1CO1 34a_100000740925_102125554688 [1,0,0,1,0,0|0,0,0]=2 8627 B11R1.99 COCCCCOCC1CO1 34a_100010889290_200000210301 [1,0,0,1,0,0|0,0,0]=2 8628 B11R1.99 COCCCCOCC1CO1 7a_100010889290_200000210301 [1,0,0,1,0,0|0,0,0]=2 8629 B11R1.99 COCCCCOC[C@@H]1CO1 34a_100000757423_100000755781 [1,0,0,1,0,0|0,0,0]=2 8630 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [1,0,0,1,0,0|1,1,0]=4 8631 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [1,0,0,1,0,0|1,1,0]=4 8632 B11R1.99 COCCCCSCC1CO1 62a_100000730899_102125554688 [1,0,0,1,0,0|0,1,0]=3 8633 B11R1.99 COCCCCSCC1CO1 62a_102125554688_100000730899 [1,0,0,1,0,0|0,1,0]=3 8634 B11R1.99 COCCCCSCC1CS1 62a_100000031435_100000730899 [1,0,0,1,0,0|0,2,0]=4 8635 B11R1.99 COCCCCSCC1CS1 62a_100000730899_100000031435 [1,0,0,1,0,0|0,2,0]=4 8636 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000730899_100000745022 [1,0,0,1,0,0|0,1,0]=3 8637 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000745022_100000730899 [1,0,0,1,0,0|0,1,0]=3 8638 B11R1.99 COCCCNCCC1CO1 34a_100150723488_100000732470 [1,0,0,1,0,0|2,0,0]=4 8639 B11R1.99 COCCCOCCC1CO1 34a_100000740835_100000732470 [1,0,0,1,0,0|2,0,0]=4 8640 B11R1.99 COCCCOCC[C@@H]1CO1 34a_100009820653_100000740836 [1,0,0,1,0,0|2,0,0]=4 8641 B11R1.99 COCCCSCCC1CO1 62a_100000709357_100000732470 [1,0,0,1,0,0|2,0,0]=4 8642 B11R1.99 COCCCSCCC1CO1 62a_100000732470_100000709357 [1,0,0,1,0,0|2,0,0]=4 8643 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [1,0,0,1,0,0|1,0,0]=3 8644 B11R1.99 COCCOCC#CC1CC1 34a_100000083941_100011201679 [1,0,0,1,0,0|1,0,1]=4 8645 B11R1.99 COCCOCC#CC1CC1 34a_100000210237_100009895102 [1,0,0,1,0,0|1,0,1]=4 8646 B11R1.99 COCCOCC#CC1CC1 7a_100000083941_100000233755 [1,0,0,1,0,0|1,0,1]=4 8647 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [1,0,0,1,0,0|0,0,0]=2 8648 B11R1.99 COCCOCCNC1CC1 34a_100000212008_100000695917 [1,0,0,1,0,0|1,0,0]=3 8649 B11R1.99 COCCOCCNC1CC1 34a_100000738766_100011201679 [1,0,0,1,0,0|1,0,0]=3 8650 B11R1.99 COCCOCCNC1CC1 34a_100000745349_100000211595 [1,0,0,1,0,0|1,0,0]=3 8651 B11R1.99 COCCOCCOC1CC1 34a_100011215163_100000211595 [1,0,0,1,0,0|0,0,0]=2 8652 B11R1.99 COCCOCCSC1CC1 62a_100000695917_100000211595 [1,0,0,1,0,0|0,1,0]=3 8653 B11R1.99 COCCOCNCC1CC1 2230a_100000735609_100000231047 [1,0,0,1,0,0|2,0,0]=4 8654 B11R1.99 COCCOCSCC1CC1 62a_100000231047_100000742324 [1,0,0,1,0,0|1,1,0]=4 8655 B11R1.99 COCCOCSCC1CC1 62a_100000756562_100000231047 [1,0,0,1,0,0|1,1,0]=4 8656 B11R1.99 COCCOCSCC1CO1 62a_100000231047_102125554688 [1,0,0,1,0,0|0,1,0]=3 8657 B11R1.99 COCCOCSCC1CO1 62a_102125554688_100000231047 [1,0,0,1,0,0|0,1,0]=3 8658 B11R1.99 COCCOCSCC1CS1 62a_100000031435_100000231047 [1,0,0,1,0,0|0,2,0]=4 8659 B11R1.99 COCCOCSCC1CS1 62a_100000231047_100000031435 [1,0,0,1,0,0|0,2,0]=4 8660 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000231047_100000745022 [1,0,0,1,0,0|0,1,0]=3 8661 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000745022_100000231047 [1,0,0,1,0,0|0,1,0]=3 8662 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [1,0,0,1,0,0|0,1,0]=3 8663 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [1,0,0,1,0,0|0,1,0]=3 8664 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [1,0,0,1,0,0|1,1,0]=4 8665 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [1,0,0,1,0,0|1,1,0]=4 8666 B11R1.99 CSCCCCOCC1CO1 34a_100011217163_102125554688 [1,0,0,1,0,0|0,1,0]=3 8667 B11R1.99 CSCCCCOCC1CO1 7a_100011217163_102125554688 [1,0,0,1,0,0|0,1,0]=3 8668 B11R1.99 CSCCCCOCC1CS1 7a_100011217163_100000031435 [1,0,0,1,0,0|0,2,0]=4 8669 B11R1.99 CSCCCCOC[C@@H]1CO1 7a_100011217163_100000745022 [1,0,0,1,0,0|0,1,0]=3 8670 B11R1.99 CSCCNCCCC1CO1 2230a_100020590264_100000733510 [1,0,0,1,0,0|1,1,0]=4 8671 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [1,0,0,1,0,0|0,1,0]=3 8672 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [1,0,0,1,0,0|0,1,0]=3 8673 B11R1.99 CSCCOCCNC1CC1 34a_100000738766_100000212216 [1,0,0,1,0,0|1,1,0]=4 8674 B11R1.99 CSCCSCCCC1CO1 62a_100000212216_100000733510 [1,0,0,1,0,0|0,2,0]=4 8675 B11R1.99 CSCCSCCCC1CO1 62a_100000733510_100000751147 [1,0,0,1,0,0|0,2,0]=4 8676 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 8677 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [1,0,0,1,0,0|2,0,0]=4 8678 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [1,0,0,1,0,0|2,0,0]=4 8679 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [1,0,0,1,0,0|2,0,0]=4 8680 B11R1.99 ClCCOCCOCC1CC1 34a_100011215305_100000742324 [1,0,0,1,0,0|2,0,0]=4 8681 B11R1.99 ClCCOCCOCC1CC1 7a_100011215305_100000742324 [1,0,0,1,0,0|2,0,0]=4 8682 B11R1.99 ClCCOCCOCC1CO1 34a_100011215305_102125554688 [1,0,0,1,0,0|1,0,0]=3 8683 B11R1.99 ClCCOCCOCC1CO1 7a_100011215305_102125554688 [1,0,0,1,0,0|1,0,0]=3 8684 B11R1.99 ClCCOCCOCC1CS1 7a_100011215305_100000031435 [1,0,0,1,0,0|1,1,0]=4 8685 B11R1.99 ClCCOCCOC[C@@H]1CO1 7a_100011215305_100000745022 [1,0,0,1,0,0|1,0,0]=3 8686 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [1,0,0,1,0,0|2,0,0]=4 8687 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [1,0,0,1,0,0|2,0,0]=4 8688 B11R1.99 FCCOCCOCC1CC1 34a_200015357709_100000742324 [1,0,0,1,0,0|2,0,0]=4 8689 B11R1.99 FCCOCCOCC1CC1 7a_200015357709_100000742324 [1,0,0,1,0,0|2,0,0]=4 8690 B11R1.99 FCCOCCOCC1CO1 34a_200015357709_102125554688 [1,0,0,1,0,0|1,0,0]=3 8691 B11R1.99 FCCOCCOCC1CO1 7a_200015357709_102125554688 [1,0,0,1,0,0|1,0,0]=3 8692 B11R1.99 FCCOCCOCC1CS1 7a_200015357709_100000031435 [1,0,0,1,0,0|1,1,0]=4 8693 B11R1.99 FCCOCCOC[C@@H]1CO1 7a_200015357709_100000745022 [1,0,0,1,0,0|1,0,0]=3 8694 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [1,0,0,1,0,0|2,0,0]=4 8695 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [1,0,0,1,0,0|2,0,0]=4 8696 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [1,0,0,1,0,0|2,0,0]=4 8697 B11R1.99 ICCOCCOCC1CC1 34a_100012149058_100000742324 [1,0,0,1,0,0|2,0,0]=4 8698 B11R1.99 ICCOCCOCC1CC1 7a_100012149058_100000742324 [1,0,0,1,0,0|2,0,0]=4 8699 B11R1.99 ICCOCCOCC1CO1 34a_100012149058_102125554688 [1,0,0,1,0,0|1,0,0]=3 8700 B11R1.99 ICCOCCOCC1CO1 7a_100012149058_102125554688 [1,0,0,1,0,0|1,0,0]=3 8701 B11R1.99 ICCOCCOCC1CS1 7a_100012149058_100000031435 [1,0,0,1,0,0|1,1,0]=4 8702 B11R1.99 ICCOCCOC[C@@H]1CO1 7a_100012149058_100000745022 [1,0,0,1,0,0|1,0,0]=3 8703 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [1,0,0,1,0,0|2,0,0]=4 8704 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [1,0,0,1,0,0|2,0,0]=4 8705 B11R1.99 NCCOCCOCC1CC1 34a_100000211614_100000742324 [1,0,0,1,0,0|2,0,0]=4 8706 B11R1.99 NCCOCCOCC1CO1 34a_100000211614_102125554688 [1,0,0,1,0,0|1,0,0]=3 8707 B11R1.99 NOCCOCCCC1CO1 34a_100000700252_100000733510 [1,0,0,1,0,0|1,0,0]=3 8708 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [1,0,0,1,0,0|2,0,0]=4 8709 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [1,0,0,1,0,0|2,0,0]=4 8710 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [1,0,0,1,0,0|2,0,0]=4 8711 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [1,0,0,1,0,0|1,0,0]=3 8712 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [1,0,0,1,0,0|1,1,0]=4 8713 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [1,0,0,1,0,0|1,1,0]=4 8714 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [1,0,0,1,0,0|1,1,0]=4 8715 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [1,0,0,1,0,0|1,1,0]=4 8716 B11R1.99 OCCOCCNCC1CC1 2230a_100000211614_100000742324 [1,0,0,1,0,0|2,0,0]=4 8717 B11R1.99 OCCOCCNCC1CC1 2230a_100000735609_100011215305 [1,0,0,1,0,0|2,0,0]=4 8718 B11R1.99 OCCOCCNCC1CC1 269862a_100000211614_100000741477 [1,0,0,1,0,0|2,0,0]=4 8719 B11R1.99 OCCOCCNCC1CC1 34a_100000211614_100000742324 [1,0,0,1,0,0|2,0,0]=4 8720 B11R1.99 OCCOCCNCC1CC1 34a_100000735609_100000692535 [1,0,0,1,0,0|2,0,0]=4 8721 B11R1.99 OCCOCCNCC1CO1 2230a_100000211614_100011216344 [1,0,0,1,0,0|1,0,0]=3 8722 B11R1.99 OCCOCCNCC1CO1 34a_100000211614_102125554688 [1,0,0,1,0,0|1,0,0]=3 8723 B11R1.99 OCCOCCOCC1CC1 34a_100000211283_100000692535 [1,0,0,1,0,0|1,0,0]=3 8724 B11R1.99 OCCOCCOC[C@@H]1CO1 34a_100000757423_100000692535 [1,0,0,1,0,0|0,0,0]=2 8725 B11R1.99 OCCOCCSCC1CC1 62a_100000756562_100011215305 [1,0,0,1,0,0|1,1,0]=4 8726 B11R1.99 OCCOCCSCC1CC1 62a_100011215305_100000742324 [1,0,0,1,0,0|1,1,0]=4 8727 B11R1.99 OCCOCCSCC1CO1 62a_100011215305_102125554688 [1,0,0,1,0,0|0,1,0]=3 8728 B11R1.99 OCCOCCSCC1CO1 62a_102125554688_100011215305 [1,0,0,1,0,0|0,1,0]=3 8729 B11R1.99 OCCOCCSCC1CS1 62a_100000031435_100011215305 [1,0,0,1,0,0|0,2,0]=4 8730 B11R1.99 OCCOCCSCC1CS1 62a_100011215305_100000031435 [1,0,0,1,0,0|0,2,0]=4 8731 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100000745022_100011215305 [1,0,0,1,0,0|0,1,0]=3 8732 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100011215305_100000745022 [1,0,0,1,0,0|0,1,0]=3 8733 B11R1.99 OCCSCCNCC1CO1 2230a_100011219999_100011216344 [1,0,0,1,0,0|1,1,0]=4 8734 B11R1.99 [13CH3]OCCCCOCC1CO1 34a_100010889290_200025704644 [1,0,0,1,0,0|0,0,0]=2 8735 B11R1.99 [13CH3]OCCCCOCC1CO1 7a_100010889290_200025704644 [1,0,0,1,0,0|0,0,0]=2 8736 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [1,0,0,1,0,0|2,0,0]=4 8737 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [1,0,0,1,0,0|2,0,0]=4 8738 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [1,0,0,1,0,0|2,0,0]=4 8739 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [1,0,0,1,0,0|2,0,0]=4 8740 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 8741 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 8742 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 8743 B11R1.109 COC[C@@H]1CCCN1CCO 2230a_100020646714_100000211926 [1,0,0,1,0,0|2,0,0]=4 8744 B11R1.109 COC[C@@H]1CCCN1CCO 269982a_100020646714_100000211926 [1,0,0,1,0,0|2,0,0]=4 8745 B11R1.109 COC[C@@H]1CCCN1CCO 34a_100020646714_100000211926 [1,0,0,1,0,0|2,0,0]=4 8746 B11R1.109 COC[C@@H]1CCCN1COC 2230a_100020646714_100000766300 [1,0,0,1,0,0|2,0,0]=4 8747 B11R1.109 COC[C@@H]1CCCN1COC 269982a_100020646714_100000766300 [1,0,0,1,0,0|2,0,0]=4 8748 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|2,0,0]=4 8749 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|2,0,0]=4 8750 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|2,0,0]=4 8751 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|2,0,0]=4 8752 B11R1.180 C#CCCOC1COCC1O 34a_100011215631_200000725654 [1,0,0,1,0,0|1,0,1]=4 8753 B11R1.180 C/C=C/COC1COCC1O 34a_100016270725_200000725654 [1,0,0,1,0,0|1,0,1]=4 8754 B11R1.180 C=CCCOC1COCC1O 34a_100011205117_200000725654 [1,0,0,1,0,0|1,0,1]=4 8755 B11R1.180 CC#CCOC1COCC1O 34a_100000761923_200000725654 [1,0,0,1,0,0|1,0,1]=4 8756 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [1,0,0,1,0,0|2,0,0]=4 8757 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [1,0,0,1,0,0|2,0,0]=4 8758 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [1,0,0,1,0,0|2,0,0]=4 8759 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [1,0,0,1,0,0|2,0,0]=4 8760 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [1,0,0,1,0,0|1,0,0]=3 8761 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [1,0,0,1,0,0|1,0,0]=3 8762 B11R1.180 CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210210 [1,0,0,1,0,0|2,0,0]=4 8763 B11R1.180 CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210210 [1,0,0,1,0,0|2,0,0]=4 8764 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [1,0,0,1,0,0|1,1,0]=4 8765 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [1,0,0,1,0,0|1,1,0]=4 8766 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [1,0,0,1,0,0|2,0,0]=4 8767 B11R1.180 CN1CCCC1COCCO 34a_100000743107_100000211926 [1,0,0,1,0,0|2,0,0]=4 8768 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [1,0,0,1,0,0|2,0,0]=4 8769 B11R1.180 COCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011201679 [1,0,0,1,0,0|1,0,0]=3 8770 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [1,0,0,1,0,0|2,0,0]=4 8771 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [1,0,0,1,0,0|2,0,0]=4 8772 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [1,0,0,1,0,0|1,0,0]=3 8773 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [1,0,0,1,0,0|1,0,0]=3 8774 B11R1.180 COCCOC1COCC1O 34a_100000210237_200000725654 [1,0,0,1,0,0|0,0,0]=2 8775 B11R1.180 COCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011201679 [1,0,0,1,0,0|2,0,0]=4 8776 B11R1.180 COCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011201679 [1,0,0,1,0,0|2,0,0]=4 8777 B11R1.180 COCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011201679 [1,0,0,1,0,0|1,0,0]=3 8778 B11R1.180 COCCO[C@H]1COC[C@@H]1N 34a_100015191717_100011201679 [1,0,0,1,0,0|1,0,0]=3 8779 B11R1.180 COCCSC1COCC1O 62a_100000233755_200000725654 [1,0,0,1,0,0|0,1,0]=3 8780 B11R1.180 COCCSC1COCC1O 62a_200000725654_100000233755 [1,0,0,1,0,0|0,1,0]=3 8781 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_100000233755_200016002552 [1,0,0,1,0,0|1,1,0]=4 8782 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000233755 [1,0,0,1,0,0|1,1,0]=4 8783 B11R1.180 CSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000751147 [1,0,0,1,0,0|1,1,0]=4 8784 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [1,0,0,1,0,0|1,1,0]=4 8785 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [1,0,0,1,0,0|1,1,0]=4 8786 B11R1.180 CSCCOC1COCC1O 34a_100000230434_200000725654 [1,0,0,1,0,0|0,1,0]=3 8787 B11R1.180 CSCCOC1COCC1O 7a_100000230434_200000725654 [1,0,0,1,0,0|0,1,0]=3 8788 B11R1.180 CSCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000212216 [1,0,0,1,0,0|1,1,0]=4 8789 B11R1.180 CSCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000212216 [1,0,0,1,0,0|1,1,0]=4 8790 B11R1.180 CSCCSC1COCC1O 62a_100000212216_200000725654 [1,0,0,1,0,0|0,2,0]=4 8791 B11R1.180 CSCCSC1COCC1O 62a_200000725654_100000751147 [1,0,0,1,0,0|0,2,0]=4 8792 B11R1.180 NCCCOC1COCC1O 34a_100000182051_200000725654 [1,0,0,1,0,0|2,0,0]=4 8793 B11R1.180 NOCCOC1COCC1O 34a_100000700252_200000725654 [1,0,0,1,0,0|1,0,0]=3 8794 B11R1.180 OC1COCC1OCCCBr 34a_100011217188_200000725654 [1,0,0,1,0,0|2,0,0]=4 8795 B11R1.180 OC1COCC1OCCCCl 34a_100000230001_200000725654 [1,0,0,1,0,0|2,0,0]=4 8796 B11R1.180 OC1COCC1OCCCF 34a_100000759539_200000725654 [1,0,0,1,0,0|2,0,0]=4 8797 B11R1.190 CC1CCN1CCOCCO 269982a_100000755817_100011215305 [1,0,0,1,0,0|2,0,0]=4 8798 B11R1.190 CC1CCN1CCOCCO 34a_100000755817_100000692535 [1,0,0,1,0,0|2,0,0]=4 8799 B11R1.190 CCCOCCN1CCC1C 269982a_100000755817_100011215938 [1,0,0,1,0,0|2,0,0]=4 8800 B11R1.190 CCCOCCN1CCC1C 34a_100000755817_100011215938 [1,0,0,1,0,0|2,0,0]=4 8801 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [1,0,0,1,0,0|2,0,0]=4 8802 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [1,0,0,1,0,0|2,0,0]=4 8803 B11R1.190 COCCOCN1CCC1C 269982a_100000755817_100000231047 [1,0,0,1,0,0|2,0,0]=4 8804 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [1,0,0,1,0,0|2,0,0]=4 8805 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [1,0,0,1,0,0|2,0,0]=4 8806 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [1,0,0,1,0,0|2,0,0]=4 8807 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [1,0,0,1,0,0|2,0,0]=4 8808 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [1,0,0,1,0,0|2,0,0]=4 8809 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [1,0,0,1,0,0|2,0,0]=4 8810 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [1,0,0,1,0,0|2,0,0]=4 8811 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [1,0,0,1,0,0|2,0,0]=4 8812 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [1,0,0,1,0,0|2,0,0]=4 8813 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [1,0,0,1,0,0|2,0,0]=4 8814 B11R1.203 COCCN1CCCOCC1 2230a_100000685342_100011201679 [1,0,0,1,0,0|1,0,0]=3 8815 B11R1.203 COCCN1CCCOCC1 269982a_100000685342_100000233755 [1,0,0,1,0,0|1,0,0]=3 8816 B11R1.203 COCCN1CCCOCC1 34a_100000685342_100011201679 [1,0,0,1,0,0|1,0,0]=3 8817 B11R1.203 CSCCN1CCCOCC1 2230a_100000685342_100000751147 [1,0,0,1,0,0|1,1,0]=4 8818 B11R1.203 CSCCN1CCCOCC1 269982a_100000685342_100000212216 [1,0,0,1,0,0|1,1,0]=4 8819 B11R1.203 CSCCN1CCCOCC1 34a_100000685342_100000212216 [1,0,0,1,0,0|1,1,0]=4 8820 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,1,0,0|2,0,0]=4 8821 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,1,0,0|2,0,0]=4 8822 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [1,0,0,1,0,0|2,0,0]=4 8823 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [1,0,0,1,0,0|2,0,0]=4 8824 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [1,0,0,1,0,0|2,0,0]=4 8825 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [1,0,0,1,0,0|2,0,0]=4 8826 B11R1.232 COCC1CCN1CCSC 2230a_100015195929_100000751147 [1,0,0,1,0,0|1,1,0]=4 8827 B11R1.232 COCC1CCN1CCSC 269982a_100015195929_100000212216 [1,0,0,1,0,0|1,1,0]=4 8828 B11R1.232 COCC1CCN1CCSC 34a_100015195929_100000212216 [1,0,0,1,0,0|1,1,0]=4 8829 B11R1.232 COCCN1CCC1COC 2230a_100015195929_100011201679 [1,0,0,1,0,0|1,0,0]=3 8830 B11R1.232 COCCN1CCC1COC 269982a_100015195929_100000233755 [1,0,0,1,0,0|1,0,0]=3 8831 B11R1.232 COCCN1CCC1COC 34a_100015195929_100011201679 [1,0,0,1,0,0|1,0,0]=3 8832 B13R1.6 COCCOCC1CCCN(C1)C 34a_100000210237_100015183302 [0,1,0,1,0,0|2,0,0]=4 8833 B13R1.6 COCCOCC1CNCC(C1)C 34a_200012821172_100011201679 [0,1,0,1,0,0|2,0,0]=4 8834 B13R1.6 COCCOCC1COCC(=O)N1 34a_200000101122_100011201679 [0,1,0,1,0,0|1,0,1]=4 8835 B13R1.42 CC(CCO)OC[C@H]1COCCO1 34a_100009875890_100009893172 [0,1,0,1,0,0|2,0,0]=4 8836 B13R1.42 CCCC(C)NC[C@H]1COCCO1 2230a_100010981119_100000766640 [0,1,0,1,0,0|2,0,0]=4 8837 B13R1.42 CCCC(C)NC[C@H]1COCCO1 270004a_100010981119_100000211909 [0,1,0,1,0,0|2,0,0]=4 8838 B13R1.42 CCCC(C)NC[C@H]1COCCO1 34a_100010981119_100000766640 [0,1,0,1,0,0|2,0,0]=4 8839 B13R1.42 CCCC(C)OCC1CCCCO1 34a_100000211370_100000766640 [0,1,0,1,0,0|2,0,0]=4 8840 B13R1.42 CCCC(C)OCC1CCCCO1 34a_100000764384_100000211543 [0,1,0,1,0,0|2,0,0]=4 8841 B13R1.42 CCCC(C)OCC1CCCCO1 7a_100000211370_100000766640 [0,1,0,1,0,0|2,0,0]=4 8842 B13R1.42 CCCC(C)OCC1CCCCO1 7a_100000764384_100000211543 [0,1,0,1,0,0|2,0,0]=4 8843 B13R1.42 CCCC(C)OCC1CCCOC1 34a_100000741520_100000766640 [0,1,0,1,0,0|2,0,0]=4 8844 B13R1.42 CCCC(C)OCC1CCCOC1 34a_100000764384_100000741521 [0,1,0,1,0,0|2,0,0]=4 8845 B13R1.42 CCCC(C)OCC1CCCOC1 7a_100000764384_100000741521 [0,1,0,1,0,0|2,0,0]=4 8846 B13R1.42 CCCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000766640 [0,1,0,1,0,0|2,0,0]=4 8847 B13R1.42 CCCC(C)OC[C@@H]1COCCN1 34a_100000717676_100000766640 [0,1,0,1,0,0|2,0,0]=4 8848 B13R1.42 CCCC(C)OC[C@H]1COCCO1 34a_100009875890_100000766640 [0,1,0,1,0,0|1,0,0]=3 8849 B13R1.42 COCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000210968 [0,1,0,1,0,0|1,0,1]=4 8850 B13R1.42 COCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210968 [0,1,0,1,0,0|1,0,1]=4 8851 B13R1.42 COCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210968 [0,1,0,1,0,0|1,0,1]=4 8852 B13R1.42 COCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000210968 [0,1,0,1,0,0|1,0,1]=4 8853 B13R1.42 COCC(C)NCC1CCCCO1 2230a_100000174945_100000765312 [0,1,0,1,0,0|2,0,0]=4 8854 B13R1.42 COCC(C)NCC1CCCCO1 270004a_100000174945_100000749346 [0,1,0,1,0,0|2,0,0]=4 8855 B13R1.42 COCC(C)NCC1CCCCO1 34a_100000174945_100000765312 [0,1,0,1,0,0|2,0,0]=4 8856 B13R1.42 COCC(C)NCC1CCCOC1 2230a_100000720124_100000765312 [0,1,0,1,0,0|2,0,0]=4 8857 B13R1.42 COCC(C)NCC1CCCOC1 270004a_100000720124_100000749346 [0,1,0,1,0,0|2,0,0]=4 8858 B13R1.42 COCC(C)NCC1CCCOC1 34a_100000720124_100000765312 [0,1,0,1,0,0|2,0,0]=4 8859 B13R1.42 COCC(C)NC[C@H]1COCCO1 2230a_100010981119_100000765312 [0,1,0,1,0,0|1,0,0]=3 8860 B13R1.42 COCC(C)NC[C@H]1COCCO1 270004a_100010981119_100000749346 [0,1,0,1,0,0|1,0,0]=3 8861 B13R1.42 COCC(C)NC[C@H]1COCCO1 34a_100010981119_100000765312 [0,1,0,1,0,0|1,0,0]=3 8862 B13R1.42 COCC(C)OCC1CCCCC1 34a_100000212181_100000765312 [0,1,0,1,0,0|2,0,0]=4 8863 B13R1.42 COCC(C)OCC1CCCCC1 7a_100000212181_100000765312 [0,1,0,1,0,0|2,0,0]=4 8864 B13R1.42 COCC(C)OCC1CCCCN1 34a_100000210821_100000765312 [0,1,0,1,0,0|2,0,0]=4 8865 B13R1.42 COCC(C)OCC1CCCCO1 34a_100000211370_100000765312 [0,1,0,1,0,0|1,0,0]=3 8866 B13R1.42 COCC(C)OCC1CCCCO1 7a_100000211370_100000765312 [0,1,0,1,0,0|1,0,0]=3 8867 B13R1.42 COCC(C)OCC1CCCNC1 34a_100000211344_100000765312 [0,1,0,1,0,0|2,0,0]=4 8868 B13R1.42 COCC(C)OCC1CCCOC1 34a_100000741520_100000765312 [0,1,0,1,0,0|1,0,0]=3 8869 B13R1.42 COCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000765312 [0,1,0,1,0,0|1,0,0]=3 8870 B13R1.42 COCC(C)OC[C@@H]1COCCN1 34a_100000717676_100000765312 [0,1,0,1,0,0|1,0,0]=3 8871 B13R1.42 COCC(C)OC[C@H]1COCCO1 34a_100009875890_100000765312 [0,1,0,1,0,0|0,0,0]=2 8872 B13R1.42 COCC(C)SCC1CCCCO1 62a_100000211543_100000765312 [0,1,0,1,0,0|1,1,0]=4 8873 B13R1.42 COCC(C)SCC1CCCCO1 62a_100000765312_100000211543 [0,1,0,1,0,0|1,1,0]=4 8874 B13R1.42 COCC(C)SCC1CCCOC1 62a_100000741521_100000765312 [0,1,0,1,0,0|1,1,0]=4 8875 B13R1.42 COCC(C)SCC1CCCOC1 62a_100000765312_100000741521 [0,1,0,1,0,0|1,1,0]=4 8876 B13R1.42 COC[C@@H](C)NCC1CCCCO1 2230a_100000764878_100000211543 [0,1,0,1,0,0|2,0,0]=4 8877 B13R1.42 COC[C@@H](C)NCC1CCCOC1 2230a_100000764878_100000741521 [0,1,0,1,0,0|2,0,0]=4 8878 B13R1.42 COC[C@@H](C)OCC1CCCCC1 34a_100011934205_100000211423 [0,1,0,1,0,0|2,0,0]=4 8879 B13R1.42 COC[C@@H](C)OCC1CCCCO1 34a_100011934205_100000211543 [0,1,0,1,0,0|1,0,0]=3 8880 B13R1.42 COC[C@@H](C)OCC1CCCOC1 34a_100011934205_100000741521 [0,1,0,1,0,0|1,0,0]=3 8881 B13R1.42 CSCC(C)NC[C@H]1COCCO1 270004a_100010981119_100011216314 [0,1,0,1,0,0|1,1,0]=4 8882 B13R1.119 C=COCCOCCC1CCOC1 34a_100011879284_100000039644 [0,1,0,1,0,0|1,0,1]=4 8883 B13R1.119 CCCCCCCOC1CCOC1 34a_100000210272_100000690089 [0,1,0,1,0,0|2,0,0]=4 8884 B13R1.119 CCCCCCCOC1CCOC1 7a_100000210272_100000731011 [0,1,0,1,0,0|2,0,0]=4 8885 B13R1.119 CCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210614 [0,1,0,1,0,0|2,0,0]=4 8886 B13R1.119 CCCCCOCCC1CCOC1 34a_100011879284_100000718602 [0,1,0,1,0,0|2,0,0]=4 8887 B13R1.119 CCCCOCCN[C@@H]1CCOC1 2230a_200015188469_100000743108 [0,1,0,1,0,0|2,0,0]=4 8888 B13R1.119 CCCCOCCN[C@H]1CCOC1 2230a_100015188467_100000743108 [0,1,0,1,0,0|2,0,0]=4 8889 B13R1.119 CCCCOCCN[C@H]1CCOC1 34a_100015188467_100000743108 [0,1,0,1,0,0|2,0,0]=4 8890 B13R1.119 CCCCOCCOC1CCCC1 34a_100000210238_100000179811 [0,1,0,1,0,0|2,0,0]=4 8891 B13R1.119 CCCCOCCOC1CCCC1 34a_100000210269_100000743108 [0,1,0,1,0,0|2,0,0]=4 8892 B13R1.119 CCCCOCCOC1CCCC1 34a_100000738311_100000210210 [0,1,0,1,0,0|2,0,0]=4 8893 B13R1.119 CCCCOCCOC1CCCC1 7a_100000210238_100000179811 [0,1,0,1,0,0|2,0,0]=4 8894 B13R1.119 CCCCOCCOC1CCCC1 7a_100000210269_100000743108 [0,1,0,1,0,0|2,0,0]=4 8895 B13R1.119 CCCCOCCOC1CCCC1 7a_100000738311_100000210211 [0,1,0,1,0,0|2,0,0]=4 8896 B13R1.119 CCCCOCCOC1CCCO1 34a_100000085407_100000743108 [0,1,0,1,0,0|2,0,0]=4 8897 B13R1.119 CCCCOCCOC1CCOC1 34a_100000210238_100000690089 [0,1,0,1,0,0|1,0,0]=3 8898 B13R1.119 CCCCOCCOC1CCOC1 7a_100000210238_100000731011 [0,1,0,1,0,0|1,0,0]=3 8899 B13R1.119 CCCCOCCOC1CCSC1 7a_100011232664_100000743108 [0,1,0,1,0,0|1,1,0]=4 8900 B13R1.119 CCCCOCCO[C@H]1CCOC1 34a_100000717292_100000743108 [0,1,0,1,0,0|1,0,0]=3 8901 B13R1.119 CCCCOCCSC1CCOC1 62a_100000743108_100000690089 [0,1,0,1,0,0|1,1,0]=4 8902 B13R1.119 CCCCOCNCC1CCOC1 2230a_100000737293_100011995733 [0,1,0,1,0,0|2,0,0]=4 8903 B13R1.119 CCCCOCNCC1CCOC1 34a_100000737293_100011995733 [0,1,0,1,0,0|2,0,0]=4 8904 B13R1.119 CCCCOCOCC1CCOC1 34a_100000740260_100011995733 [0,1,0,1,0,0|2,0,0]=4 8905 B13R1.119 CCCCOCSCC1CCOC1 62a_100000702531_100011995733 [0,1,0,1,0,0|2,0,0]=4 8906 B13R1.119 CCCCOCSCC1CCOC1 62a_100011995733_100000702531 [0,1,0,1,0,0|2,0,0]=4 8907 B13R1.119 CCCCSCCOC1CCOC1 34a_200000230436_100000690089 [0,1,0,1,0,0|1,1,0]=4 8908 B13R1.119 CCCCSCCOC1CCOC1 7a_200000230436_100000731011 [0,1,0,1,0,0|1,1,0]=4 8909 B13R1.119 CCOCCOCCC1CCCC1 34a_100000210136_100000760354 [0,1,0,1,0,0|2,0,0]=4 8910 B13R1.119 CCOCCOCCC1CCCC1 34a_100000749090_100000210147 [0,1,0,1,0,0|2,0,0]=4 8911 B13R1.119 CCOCCOCCC1CCCC1 7a_100000210136_100000760354 [0,1,0,1,0,0|2,0,0]=4 8912 B13R1.119 CCOCCOCCC1CCCC1 7a_100000749090_100011215890 [0,1,0,1,0,0|2,0,0]=4 8913 B13R1.119 CCOCCOCCC1CCNC1 34a_100016987287_100000210147 [0,1,0,1,0,0|2,0,0]=4 8914 B13R1.119 CCOCCOCCC1CCOC1 34a_100011879284_100000210147 [0,1,0,1,0,0|1,0,0]=3 8915 B13R1.119 CCOCCOCCN1CCCC1 2230a_100000188435_100011211534 [0,1,0,1,0,0|2,0,0]=4 8916 B13R1.119 CCOCCOCCN1CCCC1 269982a_100000188435_100011211534 [0,1,0,1,0,0|2,0,0]=4 8917 B13R1.119 CCOCCOCCN1CCCC1 7a_100000210136_100000004467 [0,1,0,1,0,0|2,0,0]=4 8918 B13R1.119 CCOCCOCCN1CCSC1 2230a_100011215254_100011211534 [0,1,0,1,0,0|1,1,0]=4 8919 B13R1.119 CCOCCOCCN1CCSC1 269982a_100011215254_100011211534 [0,1,0,1,0,0|1,1,0]=4 8920 B13R1.119 CCSCCOCCC1CCOC1 34a_100011879284_100000757381 [0,1,0,1,0,0|1,1,0]=4 8921 B13R1.119 CNCCCCCOC1CCOC1 34a_100000722520_100000690089 [0,1,0,1,0,0|2,0,0]=4 8922 B13R1.119 CNCCOCCOC1CCCC1 34a_100000228057_100000179811 [0,1,0,1,0,0|2,0,0]=4 8923 B13R1.119 CNCCOCCOC1CCOC1 34a_100000228057_100000690089 [0,1,0,1,0,0|1,0,0]=3 8924 B13R1.119 COCCCCCNC1CCOC1 2230a_100000747528_100000731011 [0,1,0,1,0,0|2,0,0]=4 8925 B13R1.119 COCCCCCNC1CCOC1 270004a_100000747528_100000752484 [0,1,0,1,0,0|2,0,0]=4 8926 B13R1.119 COCCCCCNC1CCOC1 34a_100000747528_100000690089 [0,1,0,1,0,0|2,0,0]=4 8927 B13R1.119 COCCCCNCC1CCOC1 2230a_100000737293_100000730899 [0,1,0,1,0,0|2,0,0]=4 8928 B13R1.119 COCCCCNCC1CCOC1 34a_100000737293_100000755781 [0,1,0,1,0,0|2,0,0]=4 8929 B13R1.119 COCCCCOCC1CCOC1 34a_100000740260_100000755781 [0,1,0,1,0,0|2,0,0]=4 8930 B13R1.119 COCCCCOCC1CCOC1 34a_100000740925_100011261433 [0,1,0,1,0,0|2,0,0]=4 8931 B13R1.119 COCCCCSCC1CCOC1 62a_100000702531_100000730899 [0,1,0,1,0,0|2,0,0]=4 8932 B13R1.119 COCCCCSCC1CCOC1 62a_100000730899_100000702531 [0,1,0,1,0,0|2,0,0]=4 8933 B13R1.119 COCCCOCCC1CCCC1 34a_100000740835_100000760354 [0,1,0,1,0,0|2,0,0]=4 8934 B13R1.119 COCCCOCCC1CCCC1 34a_100000749090_100000740836 [0,1,0,1,0,0|2,0,0]=4 8935 B13R1.119 COCCCOCCC1CCCC1 7a_100000749090_100000740836 [0,1,0,1,0,0|2,0,0]=4 8936 B13R1.119 COCCCOCCC1CCNC1 34a_100016987287_100000740836 [0,1,0,1,0,0|2,0,0]=4 8937 B13R1.119 COCCCOCCC1CCOC1 34a_100011879284_100000740836 [0,1,0,1,0,0|1,0,0]=3 8938 B13R1.119 COCCNCCOC1CCCC1 34a_100000741755_100011201679 [0,1,0,1,0,0|2,0,0]=4 8939 B13R1.119 COCCOCCCC1CCCC1 34a_100000210237_100011713738 [0,1,0,1,0,0|2,0,0]=4 8940 B13R1.119 COCCOCCCC1CCCC1 34a_100011215328_100011201679 [0,1,0,1,0,0|2,0,0]=4 8941 B13R1.119 COCCOCCCC1CCCC1 7a_100011215328_100000233755 [0,1,0,1,0,0|2,0,0]=4 8942 B13R1.119 COCCOCCCN1CCCC1 2230a_100000188435_100011216529 [0,1,0,1,0,0|2,0,0]=4 8943 B13R1.119 COCCOCCCN1CCCC1 269982a_100000188435_100011216529 [0,1,0,1,0,0|2,0,0]=4 8944 B13R1.119 COCCOCCCN1CCCC1 34a_100000210237_100016991639 [0,1,0,1,0,0|2,0,0]=4 8945 B13R1.119 COCCOCCCN1CCSC1 2230a_100011215254_100011216529 [0,1,0,1,0,0|1,1,0]=4 8946 B13R1.119 COCCOCCCN1CCSC1 269982a_100011215254_100011216529 [0,1,0,1,0,0|1,1,0]=4 8947 B13R1.119 COCCOCCNC1CC=CC1 2230a_100015188752_100000695917 [0,1,0,1,0,0|2,0,0]=4 8948 B13R1.119 COCCOCCNC1CCCC1 2230a_100000211070_100000695917 [0,1,0,1,0,0|2,0,0]=4 8949 B13R1.119 COCCOCCNC1CCCC1 2230a_100000745349_100000179811 [0,1,0,1,0,0|2,0,0]=4 8950 B13R1.119 COCCOCCNC1CCCC1 270004a_100000745349_100000210133 [0,1,0,1,0,0|2,0,0]=4 8951 B13R1.119 COCCOCCNC1CCCC1 34a_100000211070_100000695917 [0,1,0,1,0,0|2,0,0]=4 8952 B13R1.119 COCCOCCNC1CCCC1 34a_100000745349_100000179811 [0,1,0,1,0,0|2,0,0]=4 8953 B13R1.119 COCCOCCNC1CCCC1 34a_200000200444_100011201679 [0,1,0,1,0,0|2,0,0]=4 8954 B13R1.119 COCCOCCNC1CCOC1 2230a_100000745349_100000731011 [0,1,0,1,0,0|1,0,0]=3 8955 B13R1.119 COCCOCCNC1CCOC1 270004a_100000745349_100000752484 [0,1,0,1,0,0|1,0,0]=3 8956 B13R1.119 COCCOCCNC1CCOC1 34a_100000745349_100000690089 [0,1,0,1,0,0|1,0,0]=3 8957 B13R1.119 COCCOCCNC1CCSC1 270004a_100000745349_100000212027 [0,1,0,1,0,0|1,1,0]=4 8958 B13R1.119 COCCOCCN[C@@H]1CCOC1 2230a_200015188469_100000695917 [0,1,0,1,0,0|1,0,0]=3 8959 B13R1.119 COCCOCCN[C@H]1CCOC1 2230a_100015188467_100000695917 [0,1,0,1,0,0|1,0,0]=3 8960 B13R1.119 COCCOCCN[C@H]1CCOC1 34a_100015188467_100000695917 [0,1,0,1,0,0|1,0,0]=3 8961 B13R1.119 COCCOCCOC1CCCC1 34a_100000210269_100000695917 [0,1,0,1,0,0|1,0,0]=3 8962 B13R1.119 COCCOCCOC1CCCC1 34a_100000738311_100011201679 [0,1,0,1,0,0|1,0,0]=3 8963 B13R1.119 COCCOCCOC1CCCC1 34a_100011215163_100000179811 [0,1,0,1,0,0|1,0,0]=3 8964 B13R1.119 COCCOCCOC1CCCC1 7a_100000210269_100000695917 [0,1,0,1,0,0|1,0,0]=3 8965 B13R1.119 COCCOCCOC1CCCC1 7a_100000738311_100000233755 [0,1,0,1,0,0|1,0,0]=3 8966 B13R1.119 COCCOCCOC1CCCC1 7a_100011215163_100000179811 [0,1,0,1,0,0|1,0,0]=3 8967 B13R1.119 COCCOCCOC1CCCO1 34a_100000085407_100000695917 [0,1,0,1,0,0|1,0,0]=3 8968 B13R1.119 COCCOCCOC1CCOC1 34a_100011215163_100000690089 [0,1,0,1,0,0|0,0,0]=2 8969 B13R1.119 COCCOCCOC1CCOC1 7a_100011215163_100000731011 [0,1,0,1,0,0|0,0,0]=2 8970 B13R1.119 COCCOCCOC1CCSC1 7a_100011232664_100000695917 [0,1,0,1,0,0|0,1,0]=3 8971 B13R1.119 COCCOCCO[C@H]1CCOC1 34a_100000717292_100000695917 [0,1,0,1,0,0|0,0,0]=2 8972 B13R1.119 COCCOCCSC1CCCC1 62a_100000695917_100000179811 [0,1,0,1,0,0|1,1,0]=4 8973 B13R1.119 COCCOCCSC1CCCC1 62a_100011217020_100000695917 [0,1,0,1,0,0|1,1,0]=4 8974 B13R1.119 COCCOCCSC1CCOC1 62a_100000695917_100000690089 [0,1,0,1,0,0|0,1,0]=3 8975 B13R1.119 COCCOCNCC1CCCC1 2230a_100000737975_100000231047 [0,1,0,1,0,0|2,0,0]=4 8976 B13R1.119 COCCOCNCC1CCOC1 2230a_100000737293_100000231047 [0,1,0,1,0,0|1,0,0]=3 8977 B13R1.119 COCCOCSCC1CCCC1 62a_100000231047_100000740388 [0,1,0,1,0,0|2,0,0]=4 8978 B13R1.119 COCCOCSCC1CCCC1 62a_100000740388_100000231047 [0,1,0,1,0,0|2,0,0]=4 8979 B13R1.119 COCCOCSCC1CCOC1 62a_100000231047_100000702531 [0,1,0,1,0,0|1,0,0]=3 8980 B13R1.119 COCCOCSCC1CCOC1 62a_100000702531_100000231047 [0,1,0,1,0,0|1,0,0]=3 8981 B13R1.119 CSCCOCCOC1CCCC1 34a_100000738311_100000212216 [0,1,0,1,0,0|1,1,0]=4 8982 B13R1.119 CSCCOCCOC1CCCC1 7a_100000738311_100000212216 [0,1,0,1,0,0|1,1,0]=4 8983 B13R1.119 FCCCCOCCC1CCOC1 34a_100011879284_100000729493 [0,1,0,1,0,0|2,0,0]=4 8984 B13R1.119 OCCCCOCCC1CCOC1 34a_100011879284_100011216708 [0,1,0,1,0,0|2,0,0]=4 8985 B13R1.208 COCC(C)N1CCC[C@H]1COC 2230a_100020646714_100000765312 [0,1,0,1,0,0|2,0,0]=4 8986 B13R1.208 COCC(C)N1CCC[C@H]1COC 269982a_100020646714_100000765312 [0,1,0,1,0,0|2,0,0]=4 8987 B13R1.208 COCC(C)N1CCC[C@H]1COC 270004a_100020646714_100000749346 [0,1,0,1,0,0|2,0,0]=4 8988 B13R1.208 COCC(C)N1CCC[C@H]1COC 34a_100020646714_100000765312 [0,1,0,1,0,0|2,0,0]=4 8989 B13R1.279 CN1CCOCCOCCOCC1 2230a_100000032966_200000210301 [0,1,0,1,0,0|1,0,0]=3 8990 B13R1.279 CN1CCOCCOCCOCC1 269982a_100000032966_200000210301 [0,1,0,1,0,0|1,0,0]=3 8991 B13R1.279 CN1CCOCCOCCOCC1 34a_100000032966_200000210301 [0,1,0,1,0,0|1,0,0]=3 8992 B13R1.279 [13CH3]N1CCOCCOCCOCC1 2230a_100000032966_200025704644 [0,1,0,1,0,0|1,0,0]=3 8993 B13R1.279 [13CH3]N1CCOCCOCCOCC1 269982a_100000032966_200025704644 [0,1,0,1,0,0|1,0,0]=3 8994 B13R1.279 [13CH3]N1CCOCCOCCOCC1 34a_100000032966_200025704644 [0,1,0,1,0,0|1,0,0]=3 8995 B13R1.362 C=C1CC(C1)NCCOCCOC 2230a_100132301982_100000695917 [0,1,0,1,0,0|2,0,0]=4 8996 B13R1.362 COCCOCCNC1CC(C1)F 2230a_100016993743_100000695917 [0,1,0,1,0,0|2,0,0]=4 8997 B13R1.362 COCCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000695917 [0,1,0,1,0,0|2,0,0]=4 8998 B13R1.362 COCCOCCSC1CC(=O)C1 62a_100009894365_100000695917 [0,1,0,1,0,0|1,1,0]=4 8999 B13R1.369 COCCOC1CCC(CC1C)C 34a_100011539931_100011201679 [0,1,0,1,0,0|2,0,0]=4 9000 B13R1.369 COCCOC1CCC(CC1C)C 7a_100011539931_100000233755 [0,1,0,1,0,0|2,0,0]=4 9001 B13R1.404 CCCC(C)OCCC1CCOC1 34a_100011879284_100000766640 [0,1,0,1,0,0|2,0,0]=4 9002 B13R1.404 COCC(C)OCCC1CCCC1 34a_100000749090_100000765312 [0,1,0,1,0,0|2,0,0]=4 9003 B13R1.404 COCC(C)OCCC1CCCC1 7a_100000749090_100000765312 [0,1,0,1,0,0|2,0,0]=4 9004 B13R1.404 COCC(C)OCCC1CCNC1 34a_100016987287_100000765312 [0,1,0,1,0,0|2,0,0]=4 9005 B13R1.404 COCC(C)OCCC1CCOC1 34a_100011879284_100000765312 [0,1,0,1,0,0|1,0,0]=3 9006 B13R1.404 COC[C@@H](C)OCCC1CCCC1 34a_100011934205_100000760354 [0,1,0,1,0,0|2,0,0]=4 9007 B13R1.444 COCC(C)OCC1CCCN1C 34a_100000743107_100000765312 [0,1,0,1,0,0|2,0,0]=4 9008 B13R1.448 CCCC(C)CCCOC1COC1 34a_100011713154_100009818527 [0,1,0,1,0,0|2,0,0]=4 9009 B13R1.448 CCCC(C)CCCOC1COC1 7a_100011713154_100009818527 [0,1,0,1,0,0|2,0,0]=4 9010 B13R1.453 CCCC(C)CCCOCC1CO1 34a_100011713154_102125554688 [0,1,0,1,0,0|2,0,0]=4 9011 B13R1.453 CCCC(C)CCCOCC1CO1 7a_100011713154_102125554688 [0,1,0,1,0,0|2,0,0]=4 9012 B13R1.453 CCCC(C)CCCOC[C@@H]1CO1 7a_100011713154_100000745022 [0,1,0,1,0,0|2,0,0]=4 9013 B13R1.464 CC[C@H]1COCCN1C(C)COC 2230a_100016988097_100000765312 [0,1,0,1,0,0|2,0,0]=4 9014 B13R1.464 CC[C@H]1COCCN1C(C)COC 269982a_100016988097_100000765312 [0,1,0,1,0,0|2,0,0]=4 9015 B13R1.464 CC[C@H]1COCCN1C(C)COC 270004a_100016988097_100000749346 [0,1,0,1,0,0|2,0,0]=4 9016 B13R1.464 CC[C@H]1COCCN1C(C)COC 34a_100016988097_100000765312 [0,1,0,1,0,0|2,0,0]=4 9017 B13R1.470 COCC(C)OC1CCCCC1C 34a_100000211207_100000765312 [0,1,0,1,0,0|2,0,0]=4 9018 B13R1.470 COCC(C)OC1CCCCC1C 7a_100000211207_100000765312 [0,1,0,1,0,0|2,0,0]=4 9019 B13R1.470 COCC(C)OC1CNCCC1C 34a_100000696640_100000765312 [0,1,0,1,0,0|2,0,0]=4 9020 B13R1.470 COCC(C)O[C@H]1COCC[C@H]1N 34a_100016994285_100000765312 [0,1,0,1,0,0|2,0,0]=4 9021 B13R1.470 COC[C@@H](C)OC1COCCC1=O 34a_100011934205_100012180262 [0,1,0,1,0,0|2,0,0]=4 9022 B13R1.567 CCCCN1CCOC(C1)COC 2230a_100000760289_100000210211 [0,1,0,1,0,0|2,0,0]=4 9023 B13R1.567 CCCCN1CCOC(C1)COC 269982a_100000760289_100000210211 [0,1,0,1,0,0|2,0,0]=4 9024 B13R1.567 CCCCN1CCOC(C1)COC 34a_100000760289_100000210210 [0,1,0,1,0,0|2,0,0]=4 9025 B13R1.567 COCC1CN(CCO1)CCSC 2230a_100000760289_100000751147 [0,1,0,1,0,0|1,1,0]=4 9026 B13R1.567 COCC1CN(CCO1)CCSC 269982a_100000760289_100000212216 [0,1,0,1,0,0|1,1,0]=4 9027 B13R1.567 COCC1CN(CCO1)CCSC 34a_100000760289_100000212216 [0,1,0,1,0,0|1,1,0]=4 9028 B13R1.567 COCCN1CCCC(C1)COC 2230a_100000755410_100011201679 [0,1,0,1,0,0|2,0,0]=4 9029 B13R1.567 COCCN1CCCC(C1)COC 269982a_100000755410_100000233755 [0,1,0,1,0,0|2,0,0]=4 9030 B13R1.567 COCCN1CCCC(C1)COC 34a_100000755410_100011201679 [0,1,0,1,0,0|2,0,0]=4 9031 B13R1.567 COCCN1CCOC(C1)COC 2230a_100000760289_100011201679 [0,1,0,1,0,0|1,0,0]=3 9032 B13R1.567 COCCN1CCOC(C1)COC 269982a_100000760289_100000233755 [0,1,0,1,0,0|1,0,0]=3 9033 B13R1.567 COCCN1CCOC(C1)COC 34a_100000760289_100011201679 [0,1,0,1,0,0|1,0,0]=3 9034 B13R1.654 CCOCCOCC1CCCN1C 34a_100000743107_100000210147 [0,1,0,1,0,0|2,0,0]=4 9035 B13R1.654 COCCCOCC1CCCN1C 34a_100000743107_100000740836 [0,1,0,1,0,0|2,0,0]=4 9036 B13R1.654 COCCOCCC1CCCN1C 34a_100000210237_100000005710 [0,1,0,1,0,0|2,0,0]=4 9037 B13R1.654 COCCOCCC1CCCN1C 34a_100011215177_100011201679 [0,1,0,1,0,0|2,0,0]=4 9038 B13R1.654 COCCOCCC1CCCN1C 7a_100011215177_100000233755 [0,1,0,1,0,0|2,0,0]=4 9039 B13R1.654 COCCOCCN1CCC[C@@H]1C 2230a_100020605311_100000695917 [0,1,0,1,0,0|2,0,0]=4 9040 B13R1.654 COCCOCCN1CCC[C@@H]1C 269982a_100020605311_100000695917 [0,1,0,1,0,0|2,0,0]=4 9041 B13R1.654 COCCOCCN1CCC[C@H]1C 2230a_100015189458_100000695917 [0,1,0,1,0,0|2,0,0]=4 9042 B13R1.654 COCCOCCN1CCC[C@H]1C 269982a_100015189458_100000695917 [0,1,0,1,0,0|2,0,0]=4 9043 B13R1.654 COCCOCCN1CCC[C@H]1C 34a_100015189458_100000695917 [0,1,0,1,0,0|2,0,0]=4 9044 B13R1.654 COCCOCCN1CCSC1C 2230a_200011216479_100000695917 [0,1,0,1,0,0|1,1,0]=4 9045 B13R1.654 COCCOCCN1CCSC1C 269982a_200011216479_100000695917 [0,1,0,1,0,0|1,1,0]=4 9046 B13R1.654 COCCOCCN1CCSC1C 34a_200011216479_100000695917 [0,1,0,1,0,0|1,1,0]=4 9047 B13R1.654 COCCOCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000231047 [0,1,0,1,0,0|2,0,0]=4 9048 B13R1.654 COCCOCSC1COCC1O 62a_100000231047_200000725654 [0,1,0,1,0,0|2,0,0]=4 9049 B13R1.654 COCCOCSC1COCC1O 62a_200000725654_100000231047 [0,1,0,1,0,0|2,0,0]=4 9050 B13R1.1575 COCC(C)OC1CCCCCC1 34a_100000210887_100000765312 [0,1,0,1,0,0|2,0,0]=4 9051 B13R1.1575 COCC(C)OC1CCCCCC1 7a_100000210887_100000765312 [0,1,0,1,0,0|2,0,0]=4 9052 B13R1.1575 COC[C@@H](C)OC1CCCCCC1 34a_100011934205_100011217769 [0,1,0,1,0,0|2,0,0]=4 9053 B13R1.1892 COCCOCN1CC(C1)COC 2230a_100016993750_100000231047 [0,1,0,1,0,0|2,0,0]=4 9054 B13R1.1892 COCCOCN1CC(C1)COC 269982a_100016993750_100000231047 [0,1,0,1,0,0|2,0,0]=4 9055 B13R1.3151 CCCCOCCOC(C)C1CC1 34a_100000744524_100000743108 [0,1,0,1,0,0|2,0,0]=4 9056 B13R1.3151 CCCCOCCOC(C)C1CC1 7a_100000744524_100000743108 [0,1,0,1,0,0|2,0,0]=4 9057 B13R1.3151 COCCCCCNC(C)C1CO1 270004a_100000747528_100000031964 [0,1,0,1,0,0|2,0,0]=4 9058 B13R1.3151 COCCOCCCC(=O)C1CO1 1458a_100000701028_100011216529 [0,1,0,1,0,0|1,0,1]=4 9059 B13R1.3151 COCCOCCNC(=O)C1CO1 11a_100000745349_100000701028 [0,1,0,1,0,0|1,0,1]=4 9060 B13R1.3151 COCCOCCNC(=O)C1CO1 1626a_100000745349_100000701028 [0,1,0,1,0,0|1,0,1]=4 9061 B13R1.3151 COCCOCCNC(=O)C1CO1 240690a_100000745349_100000701028 [0,1,0,1,0,0|1,0,1]=4 9062 B13R1.3151 COCCOCCNC(=O)C1CO1 527a_100000745349_100000701028 [0,1,0,1,0,0|1,0,1]=4 9063 B13R1.3151 COCCOCCNC(C)C1CC1 2230a_100000700016_100000695917 [0,1,0,1,0,0|2,0,0]=4 9064 B13R1.3151 COCCOCCNC(C)C1CC1 269862a_100000745349_100000210639 [0,1,0,1,0,0|2,0,0]=4 9065 B13R1.3151 COCCOCCNC(C)C1CC1 34a_100000700016_100000695917 [0,1,0,1,0,0|2,0,0]=4 9066 B13R1.3151 COCCOCCNC(C)C1CO1 270004a_100000745349_100000031964 [0,1,0,1,0,0|1,0,0]=3 9067 B13R1.3151 COCCOCCOC(C)C1CC1 34a_100000744524_100000695917 [0,1,0,1,0,0|1,0,0]=3 9068 B13R1.3151 COCCOCCOC(C)C1CC1 7a_100000744524_100000695917 [0,1,0,1,0,0|1,0,0]=3 9069 B13R1.3673 CCCCOCCNC1(COC1)C 2230a_100000732644_100000743108 [0,1,0,1,0,0|2,0,0]=4 9070 B13R1.3673 CCCCOCCOC1(CCC1)C 34a_100000759064_100000743108 [0,1,0,1,0,0|2,0,0]=4 9071 B13R1.3673 CCCCOCCOC1(CCC1)C 7a_100000759064_100000743108 [0,1,0,1,0,0|2,0,0]=4 9072 B13R1.3673 CCCCOCCOC1(CSC1)C 7a_100016018533_100000743108 [0,1,0,1,0,0|1,1,0]=4 9073 B13R1.3673 COCCOCCNC1(CCC1)C 2230a_100000692455_100000695917 [0,1,0,1,0,0|2,0,0]=4 9074 B13R1.3673 COCCOCCNC1(CCC1)C 34a_100000692455_100000695917 [0,1,0,1,0,0|2,0,0]=4 9075 B13R1.3673 COCCOCCNC1(COC1)C 2230a_100000732644_100000695917 [0,1,0,1,0,0|1,0,0]=3 9076 B13R1.3673 COCCOCCOC1(CCC1)C 34a_100000759064_100000695917 [0,1,0,1,0,0|1,0,0]=3 9077 B13R1.3673 COCCOCCOC1(CCC1)C 7a_100000759064_100000695917 [0,1,0,1,0,0|1,0,0]=3 9078 B13R1.3673 COCCOCCOC1(CSC1)C 7a_100016018533_100000695917 [0,1,0,1,0,0|0,1,0]=3 9079 B13R1.3673 COCCOCNCC1(COC1)C 2230a_100020631278_100000231047 [0,1,0,1,0,0|2,0,0]=4 9080 B13R1.3673 COCCOCNCC1(COC1)O 2230a_100010264505_100000231047 [0,1,0,1,0,0|2,0,0]=4 9081 B13R1.3673 COCCOCSCC1(COC1)C 62a_100000231047_100009817586 [0,1,0,1,0,0|2,0,0]=4 9082 B13R1.3673 COCCOCSCC1(COC1)C 62a_100009817586_100000231047 [0,1,0,1,0,0|2,0,0]=4 9083 B13R1.28 BrCCCCOCC1CCCCO1 34a_100011216708_100000211543 [0,1,0,1,0,0|2,0,0]=4 9084 B13R1.28 BrCCCCOCC1CCCOC1 34a_100011216708_100000741521 [0,1,0,1,0,0|2,0,0]=4 9085 B13R1.28 C#CCCCOC[C@H]1COCCO1 34a_100009875890_100000695029 [0,1,0,1,0,0|1,0,1]=4 9086 B13R1.28 C/C=C/CCOCC1CCCCO1 34a_100016278192_100000211543 [0,1,0,1,0,0|2,0,0]=4 9087 B13R1.28 C/C=C/CCOCC1CCCOC1 34a_100016278192_100000741521 [0,1,0,1,0,0|2,0,0]=4 9088 B13R1.28 C=CCCCOC[C@H]1COCCO1 34a_100009875890_100000757094 [0,1,0,1,0,0|1,0,1]=4 9089 B13R1.28 C=COCCNC[C@H]1COCCO1 2230a_100010981119_100000039644 [0,1,0,1,0,0|1,0,1]=4 9090 B13R1.28 C=COCCNC[C@H]1COCCO1 34a_100010981119_100000039644 [0,1,0,1,0,0|1,0,1]=4 9091 B13R1.28 C=COCCOCC1CCCCO1 34a_100000033082_100000211543 [0,1,0,1,0,0|1,0,1]=4 9092 B13R1.28 C=COCCOCC1CCCCO1 34a_100000211370_100000039644 [0,1,0,1,0,0|1,0,1]=4 9093 B13R1.28 C=COCCOCC1CCCCO1 7a_100000211370_100000039644 [0,1,0,1,0,0|1,0,1]=4 9094 B13R1.28 C=COCCOCC1CCCOC1 34a_100000033082_100000741521 [0,1,0,1,0,0|1,0,1]=4 9095 B13R1.28 C=COCCOCC1CCCOC1 34a_100000741520_100000039644 [0,1,0,1,0,0|1,0,1]=4 9096 B13R1.28 C=COCCOC[C@@H]1CNCCO1 34a_100015189573_100000039644 [0,1,0,1,0,0|1,0,1]=4 9097 B13R1.28 C=COCCOC[C@@H]1COCCN1 34a_100000717676_100000039644 [0,1,0,1,0,0|1,0,1]=4 9098 B13R1.28 C=COCCOC[C@H]1COCCO1 34a_100009875890_100000039644 [0,1,0,1,0,0|0,0,1]=3 9099 B13R1.28 CC#CCCOCC1CCCCO1 34a_100000750427_100000211543 [0,1,0,1,0,0|2,0,0]=4 9100 B13R1.28 CC#CCCOCC1CCCOC1 34a_100000750427_100000741521 [0,1,0,1,0,0|2,0,0]=4 9101 B13R1.28 CC/C=C\COC[C@H]1COCCO1 34a_100009875890_100103147603 [0,1,0,1,0,0|1,0,1]=4 9102 B13R1.28 CCC#CCOC[C@H]1COCCO1 34a_100009875890_100009813939 [0,1,0,1,0,0|1,0,1]=4 9103 B13R1.28 CCCCCNC[C@H]1COCCO1 2230a_100010981119_100000210326 [0,1,0,1,0,0|2,0,0]=4 9104 B13R1.28 CCCCCNC[C@H]1COCCO1 34a_100010981119_100000718602 [0,1,0,1,0,0|2,0,0]=4 9105 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [0,1,0,1,0,0|2,0,0]=4 9106 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [0,1,0,1,0,0|2,0,0]=4 9107 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [0,1,0,1,0,0|2,0,0]=4 9108 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [0,1,0,1,0,0|2,0,0]=4 9109 B13R1.28 CCCCCOCC1CCCOC1 34a_100000210253_100000741521 [0,1,0,1,0,0|2,0,0]=4 9110 B13R1.28 CCCCCOCC1CCCOC1 34a_100000741520_100000718602 [0,1,0,1,0,0|2,0,0]=4 9111 B13R1.28 CCCCCOCC1CCCOC1 7a_100000210253_100000741521 [0,1,0,1,0,0|2,0,0]=4 9112 B13R1.28 CCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000718602 [0,1,0,1,0,0|2,0,0]=4 9113 B13R1.28 CCCCCOC[C@@H]1COCCN1 34a_100000717676_100000718602 [0,1,0,1,0,0|2,0,0]=4 9114 B13R1.28 CCCCCOC[C@H]1COCCO1 34a_100009875890_100000718602 [0,1,0,1,0,0|1,0,0]=3 9115 B13R1.28 CCCCOCCC1CCOCC1 34a_100000210227_100011934994 [0,1,0,1,0,0|2,0,0]=4 9116 B13R1.28 CCCCOCCC1CCOCC1 34a_100011933979_100000210210 [0,1,0,1,0,0|2,0,0]=4 9117 B13R1.28 CCCCOCCC1CCOCC1 7a_100000210227_100011934994 [0,1,0,1,0,0|2,0,0]=4 9118 B13R1.28 CCCCOCCC1CCOCC1 7a_100011933979_100000210211 [0,1,0,1,0,0|2,0,0]=4 9119 B13R1.28 CCCCOCCN1CCCOC1 2230a_100000131196_100000743108 [0,1,0,1,0,0|2,0,0]=4 9120 B13R1.28 CCCCOCCN1CCCOC1 269982a_100000131196_100000743108 [0,1,0,1,0,0|2,0,0]=4 9121 B13R1.28 CCCCOCCN1CCCOC1 34a_100000131196_100000743108 [0,1,0,1,0,0|2,0,0]=4 9122 B13R1.28 CCCCOCCN1CCOCC1 2230a_100015191051_100000743108 [0,1,0,1,0,0|2,0,0]=4 9123 B13R1.28 CCCCOCCN1CCOCC1 269982a_100015191051_100000743108 [0,1,0,1,0,0|2,0,0]=4 9124 B13R1.28 CCCCOCCN1CCOCC1 34a_100015191051_100000743108 [0,1,0,1,0,0|2,0,0]=4 9125 B13R1.28 CCCCOCCN1CCOCC1 7a_100000210227_100000211760 [0,1,0,1,0,0|2,0,0]=4 9126 B13R1.28 CCCCOCNC1CCCOC1 2230a_100000719290_100011995733 [0,1,0,1,0,0|2,0,0]=4 9127 B13R1.28 CCCCOCNC1CCCOC1 34a_100000719290_100011995733 [0,1,0,1,0,0|2,0,0]=4 9128 B13R1.28 CCCCOCOC1CCCCO1 34a_100000033831_100011995733 [0,1,0,1,0,0|2,0,0]=4 9129 B13R1.28 CCCCOCOC1CCCOC1 34a_100000754041_100011995733 [0,1,0,1,0,0|2,0,0]=4 9130 B13R1.28 CCCCOCSC1CCCOC1 62a_100011995733_100000693364 [0,1,0,1,0,0|2,0,0]=4 9131 B13R1.28 CCOCCNCC1CCCCO1 2230a_100000174945_100011215890 [0,1,0,1,0,0|2,0,0]=4 9132 B13R1.28 CCOCCNCC1CCCCO1 2230a_102516460346_100000211543 [0,1,0,1,0,0|2,0,0]=4 9133 B13R1.28 CCOCCNCC1CCCCO1 34a_100000174945_100000210147 [0,1,0,1,0,0|2,0,0]=4 9134 B13R1.28 CCOCCNCC1CCCCO1 34a_102516460346_100000211543 [0,1,0,1,0,0|2,0,0]=4 9135 B13R1.28 CCOCCNCC1CCCOC1 2230a_100000720124_100011215890 [0,1,0,1,0,0|2,0,0]=4 9136 B13R1.28 CCOCCNCC1CCCOC1 2230a_102516460346_100000741521 [0,1,0,1,0,0|2,0,0]=4 9137 B13R1.28 CCOCCNCC1CCCOC1 34a_100000720124_100000210147 [0,1,0,1,0,0|2,0,0]=4 9138 B13R1.28 CCOCCNCC1CCCOC1 34a_102516460346_100000741521 [0,1,0,1,0,0|2,0,0]=4 9139 B13R1.28 CCOCCNC[C@H]1COCCO1 2230a_100010981119_100011215890 [0,1,0,1,0,0|1,0,0]=3 9140 B13R1.28 CCOCCNC[C@H]1COCCO1 34a_100010981119_100000210147 [0,1,0,1,0,0|1,0,0]=3 9141 B13R1.28 CCOCCOCC1CCCCC1 34a_100000210136_100000211423 [0,1,0,1,0,0|2,0,0]=4 9142 B13R1.28 CCOCCOCC1CCCCC1 34a_100000212181_100000210147 [0,1,0,1,0,0|2,0,0]=4 9143 B13R1.28 CCOCCOCC1CCCCC1 7a_100000210136_100000211423 [0,1,0,1,0,0|2,0,0]=4 9144 B13R1.28 CCOCCOCC1CCCCC1 7a_100000212181_100011215890 [0,1,0,1,0,0|2,0,0]=4 9145 B13R1.28 CCOCCOCC1CCCCN1 34a_100000210821_100000210147 [0,1,0,1,0,0|2,0,0]=4 9146 B13R1.28 CCOCCOCC1CCCCO1 34a_100000210136_100000211543 [0,1,0,1,0,0|1,0,0]=3 9147 B13R1.28 CCOCCOCC1CCCCO1 34a_100000211370_100000210147 [0,1,0,1,0,0|1,0,0]=3 9148 B13R1.28 CCOCCOCC1CCCCO1 7a_100000210136_100000211543 [0,1,0,1,0,0|1,0,0]=3 9149 B13R1.28 CCOCCOCC1CCCCO1 7a_100000211370_100011215890 [0,1,0,1,0,0|1,0,0]=3 9150 B13R1.28 CCOCCOCC1CCCNC1 34a_100000211344_100000210147 [0,1,0,1,0,0|2,0,0]=4 9151 B13R1.28 CCOCCOCC1CCCOC1 34a_100000210136_100000741521 [0,1,0,1,0,0|1,0,0]=3 9152 B13R1.28 CCOCCOCC1CCCOC1 34a_100000741520_100000210147 [0,1,0,1,0,0|1,0,0]=3 9153 B13R1.28 CCOCCOCC1CCCOC1 7a_100000210136_100000741521 [0,1,0,1,0,0|1,0,0]=3 9154 B13R1.28 CCOCCOC[C@@H]1CNCCO1 34a_100015189573_100000210147 [0,1,0,1,0,0|1,0,0]=3 9155 B13R1.28 CCOCCOC[C@@H]1COCCN1 34a_100000717676_100000210147 [0,1,0,1,0,0|1,0,0]=3 9156 B13R1.28 CCOCCOC[C@H]1COCCO1 34a_100009875890_100000210147 [0,1,0,1,0,0|0,0,0]=2 9157 B13R1.28 CCOCCSCC1CCCCO1 62a_100000210147_100000211543 [0,1,0,1,0,0|1,1,0]=4 9158 B13R1.28 CCOCCSCC1CCCCO1 62a_100000211543_100011215890 [0,1,0,1,0,0|1,1,0]=4 9159 B13R1.28 CCOCCSCC1CCCOC1 62a_100000210147_100000741521 [0,1,0,1,0,0|1,1,0]=4 9160 B13R1.28 CCOCCSCC1CCCOC1 62a_100000741521_100011215890 [0,1,0,1,0,0|1,1,0]=4 9161 B13R1.28 CCSCCNC[C@H]1COCCO1 2230a_100010981119_100000757381 [0,1,0,1,0,0|1,1,0]=4 9162 B13R1.28 CCSCCNC[C@H]1COCCO1 34a_100010981119_100000757381 [0,1,0,1,0,0|1,1,0]=4 9163 B13R1.28 CCSCCOCC1CCCCO1 34a_100000211370_100000757381 [0,1,0,1,0,0|1,1,0]=4 9164 B13R1.28 CCSCCOCC1CCCCO1 34a_100000212035_100000211543 [0,1,0,1,0,0|1,1,0]=4 9165 B13R1.28 CCSCCOCC1CCCCO1 7a_100000211370_100000757381 [0,1,0,1,0,0|1,1,0]=4 9166 B13R1.28 CCSCCOCC1CCCCO1 7a_100000212035_100000211543 [0,1,0,1,0,0|1,1,0]=4 9167 B13R1.28 CCSCCOCC1CCCOC1 34a_100000212035_100000741521 [0,1,0,1,0,0|1,1,0]=4 9168 B13R1.28 CCSCCOCC1CCCOC1 34a_100000741520_100000757381 [0,1,0,1,0,0|1,1,0]=4 9169 B13R1.28 CCSCCOCC1CCCOC1 7a_100000212035_100000741521 [0,1,0,1,0,0|1,1,0]=4 9170 B13R1.28 CCSCCOC[C@@H]1CNCCO1 34a_100015189573_100000757381 [0,1,0,1,0,0|1,1,0]=4 9171 B13R1.28 CCSCCOC[C@@H]1COCCN1 34a_100000717676_100000757381 [0,1,0,1,0,0|1,1,0]=4 9172 B13R1.28 CCSCCOC[C@H]1COCCO1 34a_100009875890_100000757381 [0,1,0,1,0,0|0,1,0]=3 9173 B13R1.28 CNCCCOCC1CCCCO1 34a_100000213112_100000211543 [0,1,0,1,0,0|2,0,0]=4 9174 B13R1.28 CNCCCOCC1CCCOC1 34a_100000213112_100000741521 [0,1,0,1,0,0|2,0,0]=4 9175 B13R1.28 CNCCOCCN1CCOCC1 2230a_100011651319_200000210301 [0,1,0,1,0,0|2,0,0]=4 9176 B13R1.28 COCCCCNC1CCCOC1 2230a_100000719290_100000730899 [0,1,0,1,0,0|2,0,0]=4 9177 B13R1.28 COCCCCNC1CCCOC1 34a_100000719290_100000755781 [0,1,0,1,0,0|2,0,0]=4 9178 B13R1.28 COCCCCOC1CCCCO1 34a_100000033831_100000755781 [0,1,0,1,0,0|2,0,0]=4 9179 B13R1.28 COCCCCOC1CCCCO1 34a_100138415774_100000031530 [0,1,0,1,0,0|2,0,0]=4 9180 B13R1.28 COCCCCOC1CCCOC1 34a_100000740925_100000693364 [0,1,0,1,0,0|2,0,0]=4 9181 B13R1.28 COCCCCOC1CCCOC1 34a_100000754041_100000755781 [0,1,0,1,0,0|2,0,0]=4 9182 B13R1.28 COCCCCSC1CCCOC1 62a_100000730899_100000693364 [0,1,0,1,0,0|2,0,0]=4 9183 B13R1.28 COCCCNCC1CCCCO1 2230a_100000174945_100000740836 [0,1,0,1,0,0|2,0,0]=4 9184 B13R1.28 COCCCNCC1CCCCO1 34a_100000174945_100000740836 [0,1,0,1,0,0|2,0,0]=4 9185 B13R1.28 COCCCNCC1CCCCO1 34a_100150723488_100000211543 [0,1,0,1,0,0|2,0,0]=4 9186 B13R1.28 COCCCNCC1CCCOC1 2230a_100000720124_100000740836 [0,1,0,1,0,0|2,0,0]=4 9187 B13R1.28 COCCCNCC1CCCOC1 34a_100000720124_100000740836 [0,1,0,1,0,0|2,0,0]=4 9188 B13R1.28 COCCCNCC1CCCOC1 34a_100150723488_100000741521 [0,1,0,1,0,0|2,0,0]=4 9189 B13R1.28 COCCCNC[C@H]1COCCO1 2230a_100010981119_100000740836 [0,1,0,1,0,0|1,0,0]=3 9190 B13R1.28 COCCCNC[C@H]1COCCO1 34a_100010981119_100000740836 [0,1,0,1,0,0|1,0,0]=3 9191 B13R1.28 COCCCOCC1CCCCC1 34a_100000212181_100000740836 [0,1,0,1,0,0|2,0,0]=4 9192 B13R1.28 COCCCOCC1CCCCC1 34a_100000740835_100000211423 [0,1,0,1,0,0|2,0,0]=4 9193 B13R1.28 COCCCOCC1CCCCC1 7a_100000212181_100000740836 [0,1,0,1,0,0|2,0,0]=4 9194 B13R1.28 COCCCOCC1CCCCN1 34a_100000210821_100000740836 [0,1,0,1,0,0|2,0,0]=4 9195 B13R1.28 COCCCOCC1CCCCO1 34a_100000211370_100000740836 [0,1,0,1,0,0|1,0,0]=3 9196 B13R1.28 COCCCOCC1CCCCO1 34a_100000740835_100000211543 [0,1,0,1,0,0|1,0,0]=3 9197 B13R1.28 COCCCOCC1CCCCO1 7a_100000211370_100000740836 [0,1,0,1,0,0|1,0,0]=3 9198 B13R1.28 COCCCOCC1CCCNC1 34a_100000211344_100000740836 [0,1,0,1,0,0|2,0,0]=4 9199 B13R1.28 COCCCOCC1CCCOC1 34a_100000740835_100000741521 [0,1,0,1,0,0|1,0,0]=3 9200 B13R1.28 COCCCOCC1CCCOC1 34a_100000741520_100000740836 [0,1,0,1,0,0|1,0,0]=3 9201 B13R1.28 COCCCOC[C@@H]1CNCCO1 34a_100015189573_100000740836 [0,1,0,1,0,0|1,0,0]=3 9202 B13R1.28 COCCCOC[C@@H]1COCCN1 34a_100000717676_100000740836 [0,1,0,1,0,0|1,0,0]=3 9203 B13R1.28 COCCCOC[C@H]1COCCO1 34a_100009875890_100000740836 [0,1,0,1,0,0|0,0,0]=2 9204 B13R1.28 COCCCSCC1CCCCO1 62a_100000211543_100000709357 [0,1,0,1,0,0|1,1,0]=4 9205 B13R1.28 COCCCSCC1CCCCO1 62a_100000709357_100000211543 [0,1,0,1,0,0|1,1,0]=4 9206 B13R1.28 COCCCSCC1CCCOC1 62a_100000709357_100000741521 [0,1,0,1,0,0|1,1,0]=4 9207 B13R1.28 COCCCSCC1CCCOC1 62a_100000741521_100000709357 [0,1,0,1,0,0|1,1,0]=4 9208 B13R1.28 COCCNCCC1CCCCO1 2230a_100015183643_100011201679 [0,1,0,1,0,0|2,0,0]=4 9209 B13R1.28 COCCNCCC1CCCCO1 34a_100015183643_100011201679 [0,1,0,1,0,0|2,0,0]=4 9210 B13R1.28 COCCNCCC1CCOCC1 2230a_100000209980_100011934994 [0,1,0,1,0,0|2,0,0]=4 9211 B13R1.28 COCCNCCC1CCOCC1 2230a_100000755988_100011201679 [0,1,0,1,0,0|2,0,0]=4 9212 B13R1.28 COCCNCCC1CCOCC1 34a_100000755988_100011201679 [0,1,0,1,0,0|2,0,0]=4 9213 B13R1.28 COCCNCCN1CCOCC1 2230a_100000209980_100025781966 [0,1,0,1,0,0|2,0,0]=4 9214 B13R1.28 COCCOCCC1CCCCC1 34a_100000210237_100011209188 [0,1,0,1,0,0|2,0,0]=4 9215 B13R1.28 COCCOCCC1CCCCC1 34a_100011217863_100011201679 [0,1,0,1,0,0|2,0,0]=4 9216 B13R1.28 COCCOCCC1CCCCC1 7a_100011217863_100000233755 [0,1,0,1,0,0|2,0,0]=4 9217 B13R1.28 COCCOCCC1CCCCN1 34a_100000211664_100011201679 [0,1,0,1,0,0|2,0,0]=4 9218 B13R1.28 COCCOCCC1CCCNC1 34a_100000752241_100011201679 [0,1,0,1,0,0|2,0,0]=4 9219 B13R1.28 COCCOCCC1CCNCC1 34a_100015190746_100011201679 [0,1,0,1,0,0|2,0,0]=4 9220 B13R1.28 COCCOCCC1CCOCC1 34a_100000210237_100011934994 [0,1,0,1,0,0|1,0,0]=3 9221 B13R1.28 COCCOCCC1CCOCC1 34a_100011933979_100011201679 [0,1,0,1,0,0|1,0,0]=3 9222 B13R1.28 COCCOCCC1CCOCC1 7a_100011933979_100000233755 [0,1,0,1,0,0|1,0,0]=3 9223 B13R1.28 COCCOCCC1OCCCO1 34a_100000210237_100000764188 [0,1,0,1,0,0|2,0,0]=4 9224 B13R1.28 COCCOCCN1CC=CCC1 2230a_100000698166_100000695917 [0,1,0,1,0,0|2,0,0]=4 9225 B13R1.28 COCCOCCN1CC=CCC1 269982a_100000698166_100000695917 [0,1,0,1,0,0|2,0,0]=4 9226 B13R1.28 COCCOCCN1CC=CCC1 34a_100000698166_100000695917 [0,1,0,1,0,0|2,0,0]=4 9227 B13R1.28 COCCOCCN1CCCCC1 34a_100000210237_100000739454 [0,1,0,1,0,0|2,0,0]=4 9228 B13R1.28 COCCOCCN1CCCCC1 34a_200011409831_200000210301 [0,1,0,1,0,0|2,0,0]=4 9229 B13R1.28 COCCOCCN1CCCCC1 7a_200011409831_200000210301 [0,1,0,1,0,0|2,0,0]=4 9230 B13R1.28 COCCOCCN1CCCOC1 2230a_100000131196_100000695917 [0,1,0,1,0,0|1,0,0]=3 9231 B13R1.28 COCCOCCN1CCCOC1 269982a_100000131196_100000695917 [0,1,0,1,0,0|1,0,0]=3 9232 B13R1.28 COCCOCCN1CCCOC1 34a_100000131196_100000695917 [0,1,0,1,0,0|1,0,0]=3 9233 B13R1.28 COCCOCCN1CCOCC1 2230a_100015191051_100000695917 [0,1,0,1,0,0|1,0,0]=3 9234 B13R1.28 COCCOCCN1CCOCC1 269982a_100015191051_100000695917 [0,1,0,1,0,0|1,0,0]=3 9235 B13R1.28 COCCOCCN1CCOCC1 34a_100011409812_200000210301 [0,1,0,1,0,0|1,0,0]=3 9236 B13R1.28 COCCOCCN1CCOCC1 34a_100015191051_100000695917 [0,1,0,1,0,0|1,0,0]=3 9237 B13R1.28 COCCOCCN1CCSCC1 2230a_100000737611_100000695917 [0,1,0,1,0,0|1,1,0]=4 9238 B13R1.28 COCCOCCN1CCSCC1 269982a_100000737611_100000695917 [0,1,0,1,0,0|1,1,0]=4 9239 B13R1.28 COCCOCCN1CCSCC1 7a_100000686052_100000233755 [0,1,0,1,0,0|1,1,0]=4 9240 B13R1.28 COCCOCC[C@@H]1CNCCN1 34a_100016989929_100011201679 [0,1,0,1,0,0|2,0,0]=4 9241 B13R1.28 COCCOCNC1CCCCC1 2230a_100000182618_100000231047 [0,1,0,1,0,0|2,0,0]=4 9242 B13R1.28 COCCOCNC1CCCOC1 2230a_100000719290_100000231047 [0,1,0,1,0,0|1,0,0]=3 9243 B13R1.28 COCCOCNC1CCOCC1 2230a_100000741149_100000231047 [0,1,0,1,0,0|2,0,0]=4 9244 B13R1.28 COCCOCOC1CCCCC1 34a_100000210237_100011935260 [0,1,0,1,0,0|2,0,0]=4 9245 B13R1.28 COCCOCSC1CCCCC1 62a_100000210327_100000231047 [0,1,0,1,0,0|2,0,0]=4 9246 B13R1.28 COCCOCSC1CCCCC1 62a_100000231047_100000210327 [0,1,0,1,0,0|2,0,0]=4 9247 B13R1.28 COCCOCSC1CCCOC1 62a_100000231047_100000693364 [0,1,0,1,0,0|1,0,0]=3 9248 B13R1.28 COCCOCSC1CCOCC1 62a_100000231047_100011324220 [0,1,0,1,0,0|2,0,0]=4 9249 B13R1.28 COCCSCCC1CCOCC1 62a_100000233755_100011934994 [0,1,0,1,0,0|1,1,0]=4 9250 B13R1.28 COCCSCCC1CCOCC1 62a_100011934994_100000233755 [0,1,0,1,0,0|1,1,0]=4 9251 B13R1.28 COCCSCCN1CCOCC1 62a_100000233755_100000211760 [0,1,0,1,0,0|1,1,0]=4 9252 B13R1.28 CSCCCOCC1CCCCO1 34a_100000690336_100000211543 [0,1,0,1,0,0|1,1,0]=4 9253 B13R1.28 CSCCCOCC1CCCCO1 7a_100000690336_100000211543 [0,1,0,1,0,0|1,1,0]=4 9254 B13R1.28 CSCCCOCC1CCCOC1 34a_100000690336_100000741521 [0,1,0,1,0,0|1,1,0]=4 9255 B13R1.28 CSCCCOCC1CCCOC1 7a_100000690336_100000741521 [0,1,0,1,0,0|1,1,0]=4 9256 B13R1.28 CSCCOCCC1CCOCC1 34a_100000230434_100011934994 [0,1,0,1,0,0|1,1,0]=4 9257 B13R1.28 CSCCOCCC1CCOCC1 34a_100011933979_100000212216 [0,1,0,1,0,0|1,1,0]=4 9258 B13R1.28 CSCCOCCC1CCOCC1 7a_100000230434_100011934994 [0,1,0,1,0,0|1,1,0]=4 9259 B13R1.28 CSCCOCCC1CCOCC1 7a_100011933979_100000212216 [0,1,0,1,0,0|1,1,0]=4 9260 B13R1.28 CSCCOCCN1CCOCC1 7a_100000230434_100000211760 [0,1,0,1,0,0|1,1,0]=4 9261 B13R1.28 ClCCCCOCC1CCCCO1 34a_100000210776_100000211543 [0,1,0,1,0,0|2,0,0]=4 9262 B13R1.28 ClCCCCOCC1CCCCO1 7a_100000210776_100000211543 [0,1,0,1,0,0|2,0,0]=4 9263 B13R1.28 ClCCCCOCC1CCCOC1 34a_100000210776_100000741521 [0,1,0,1,0,0|2,0,0]=4 9264 B13R1.28 ClCCCCOCC1CCCOC1 7a_100000210776_100000741521 [0,1,0,1,0,0|2,0,0]=4 9265 B13R1.28 FCCCCNC[C@H]1COCCO1 2230a_100010981119_100000729493 [0,1,0,1,0,0|2,0,0]=4 9266 B13R1.28 FCCCCNC[C@H]1COCCO1 34a_100010981119_100000729493 [0,1,0,1,0,0|2,0,0]=4 9267 B13R1.28 FCCCCOCC1CCCCO1 34a_100000211370_100000729493 [0,1,0,1,0,0|2,0,0]=4 9268 B13R1.28 FCCCCOCC1CCCCO1 34a_100011995726_100000211543 [0,1,0,1,0,0|2,0,0]=4 9269 B13R1.28 FCCCCOCC1CCCCO1 7a_100000211370_100000729493 [0,1,0,1,0,0|2,0,0]=4 9270 B13R1.28 FCCCCOCC1CCCCO1 7a_100011995726_100000211543 [0,1,0,1,0,0|2,0,0]=4 9271 B13R1.28 FCCCCOCC1CCCOC1 34a_100000741520_100000729493 [0,1,0,1,0,0|2,0,0]=4 9272 B13R1.28 FCCCCOCC1CCCOC1 34a_100011995726_100000741521 [0,1,0,1,0,0|2,0,0]=4 9273 B13R1.28 FCCCCOCC1CCCOC1 7a_100011995726_100000741521 [0,1,0,1,0,0|2,0,0]=4 9274 B13R1.28 FCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000729493 [0,1,0,1,0,0|2,0,0]=4 9275 B13R1.28 FCCCCOC[C@@H]1COCCN1 34a_100000717676_100000729493 [0,1,0,1,0,0|2,0,0]=4 9276 B13R1.28 FCCCCOC[C@H]1COCCO1 34a_100009875890_100000729493 [0,1,0,1,0,0|1,0,0]=3 9277 B13R1.28 ICCCCOCC1CCCCO1 34a_200012148704_100000211543 [0,1,0,1,0,0|2,0,0]=4 9278 B13R1.28 ICCCCOCC1CCCOC1 34a_200012148704_100000741521 [0,1,0,1,0,0|2,0,0]=4 9279 B13R1.28 NCCCCOCC1CCCCO1 34a_100000750430_100000211543 [0,1,0,1,0,0|2,0,0]=4 9280 B13R1.28 NCCCCOCC1CCCOC1 34a_100000750430_100000741521 [0,1,0,1,0,0|2,0,0]=4 9281 B13R1.28 NOCCOCCC1CCOCC1 34a_100000700252_100011934994 [0,1,0,1,0,0|2,0,0]=4 9282 B13R1.28 OCC#CCOC[C@H]1COCCO1 34a_100009875890_200000047223 [0,1,0,1,0,0|1,0,1]=4 9283 B13R1.28 OCCCCNC[C@H]1COCCO1 2230a_100010981119_100000210776 [0,1,0,1,0,0|2,0,0]=4 9284 B13R1.28 OCCCCNC[C@H]1COCCO1 34a_100010981119_100011216708 [0,1,0,1,0,0|2,0,0]=4 9285 B13R1.28 OCCCCOCC1CCCCO1 34a_100000211370_100011216708 [0,1,0,1,0,0|2,0,0]=4 9286 B13R1.28 OCCCCOCC1CCCCO1 7a_100000211370_100000210776 [0,1,0,1,0,0|2,0,0]=4 9287 B13R1.28 OCCCCOCC1CCCOC1 34a_100000741520_100011216708 [0,1,0,1,0,0|2,0,0]=4 9288 B13R1.28 OCCCCOC[C@@H]1CNCCO1 34a_100015189573_100011216708 [0,1,0,1,0,0|2,0,0]=4 9289 B13R1.28 OCCCCOC[C@@H]1COCCN1 34a_100000717676_100011216708 [0,1,0,1,0,0|2,0,0]=4 9290 B13R1.28 OCCCCOC[C@H]1COCCO1 34a_100009875890_100011216708 [0,1,0,1,0,0|1,0,0]=3 9291 B13R1.28 [13CH3]NCCOCCN1CCOCC1 2230a_100011651319_200025704644 [0,1,0,1,0,0|2,0,0]=4 9292 B13R1.28 [13CH3]OCCOCCN1CCCCC1 34a_200011409831_200025704644 [0,1,0,1,0,0|2,0,0]=4 9293 B13R1.28 [13CH3]OCCOCCN1CCCCC1 7a_200011409831_200025704644 [0,1,0,1,0,0|2,0,0]=4 9294 B13R1.28 [13CH3]OCCOCCN1CCOCC1 34a_100011409812_200025704644 [0,1,0,1,0,0|1,0,0]=3 9295 B13R1.84 CCC1CCCCC1OCCOC 34a_100000210738_100011201679 [0,1,0,1,0,0|2,0,0]=4 9296 B13R1.84 CCC1CCCCC1OCCOC 7a_100000210738_100000233755 [0,1,0,1,0,0|2,0,0]=4 9297 B13R1.84 CCCCNC1CCOCC1OC 270004a_100000102301_100000095984 [0,1,0,1,0,0|2,0,0]=4 9298 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210210 [0,1,0,1,0,0|2,0,0]=4 9299 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210211 [0,1,0,1,0,0|2,0,0]=4 9300 B13R1.84 CCOCCN1CCOC[C@@H]1CC 2230a_100016988097_100011215890 [0,1,0,1,0,0|2,0,0]=4 9301 B13R1.84 CCOCCN1CCOC[C@@H]1CC 269982a_100016988097_100011215890 [0,1,0,1,0,0|2,0,0]=4 9302 B13R1.84 CCOCCN1CCOC[C@@H]1CC 34a_100016988097_100000210147 [0,1,0,1,0,0|2,0,0]=4 9303 B13R1.84 CC[C@H]1COCCN1CCCOC 2230a_100016988097_100000740836 [0,1,0,1,0,0|2,0,0]=4 9304 B13R1.84 CC[C@H]1COCCN1CCCOC 269982a_100016988097_100000740836 [0,1,0,1,0,0|2,0,0]=4 9305 B13R1.84 CC[C@H]1COCCN1CCCOC 34a_100016988097_100000740836 [0,1,0,1,0,0|2,0,0]=4 9306 B13R1.84 CN[C@@H]1CCCC[C@H]1OCCOC 34a_100000708425_100011201679 [0,1,0,1,0,0|2,0,0]=4 9307 B13R1.84 COC1COCCC1NCCSC 270004a_100020590264_100000095984 [0,1,0,1,0,0|1,1,0]=4 9308 B13R1.84 COCCNC1CCCCC1OC 270004a_100000209980_100000740605 [0,1,0,1,0,0|2,0,0]=4 9309 B13R1.84 COCCNC1CCCCC1OC 34a_100011208099_100011201679 [0,1,0,1,0,0|2,0,0]=4 9310 B13R1.84 COCCNC1CCOCC1OC 270004a_100000209980_100000095984 [0,1,0,1,0,0|1,0,0]=3 9311 B13R1.84 COCCOC1CCCCC1CN 34a_100011216029_100011201679 [0,1,0,1,0,0|2,0,0]=4 9312 B13R1.84 COCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100011201679 [0,1,0,1,0,0|1,0,0]=3 9313 B13R1.84 COCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000233755 [0,1,0,1,0,0|1,0,0]=3 9314 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCSC 34a_200009815850_100000212216 [0,1,0,1,0,0|1,1,0]=4 9315 B13R1.84 CO[C@H]1CCCC[C@@H]1OCCSC 7a_200009815850_100000212216 [0,1,0,1,0,0|1,1,0]=4 9316 B13R1.137 CCC1CCCN1COCCOC 2230a_100000754278_100000231047 [0,1,0,1,0,0|2,0,0]=4 9317 B13R1.137 CCC1CCCN1COCCOC 269982a_100000754278_100000231047 [0,1,0,1,0,0|2,0,0]=4 9318 B13R1.137 CCN1CCC[C@@H]1COCCOC 34a_100011739246_100011201679 [0,1,0,1,0,0|2,0,0]=4 9319 B13R1.137 CCN1CCC[C@@H]1COCCOC 7a_100011739246_100000233755 [0,1,0,1,0,0|2,0,0]=4 9320 B13R1.192 CCCCOCN1CCC1COC 2230a_100015195929_100011995733 [0,1,0,1,0,0|2,0,0]=4 9321 B13R1.192 CCCCOCN1CCC1COC 269982a_100015195929_100011995733 [0,1,0,1,0,0|2,0,0]=4 9322 B13R1.192 CCCCOCN1CCC1COC 34a_100015195929_100011995733 [0,1,0,1,0,0|2,0,0]=4 9323 B13R1.192 COCCCCN1CCC1COC 2230a_100015195929_100000730899 [0,1,0,1,0,0|2,0,0]=4 9324 B13R1.192 COCCCCN1CCC1COC 269982a_100015195929_100000730899 [0,1,0,1,0,0|2,0,0]=4 9325 B13R1.192 COCCCCN1CCC1COC 34a_100015195929_100000755781 [0,1,0,1,0,0|2,0,0]=4 9326 B13R1.192 COCCOCN1CCC1COC 2230a_100015195929_100000231047 [0,1,0,1,0,0|1,0,0]=3 9327 B13R1.192 COCCOCN1CCC1COC 269982a_100015195929_100000231047 [0,1,0,1,0,0|1,0,0]=3 9328 B13R1.485 CCCC1COCCN1CCOC 2230a_102495339903_100011201679 [0,1,0,1,0,0|2,0,0]=4 9329 B13R1.485 CCCC1COCCN1CCOC 269982a_102495339903_100000233755 [0,1,0,1,0,0|2,0,0]=4 9330 B13R1.485 CCCC1COCCN1CCOC 34a_102495339903_100011201679 [0,1,0,1,0,0|2,0,0]=4 9331 B13R1.485 CCCCN1CCOC[C@@H]1COC 2230a_100016989928_100000210211 [0,1,0,1,0,0|2,0,0]=4 9332 B13R1.485 CCCCN1CCOC[C@@H]1COC 269982a_100016989928_100000210211 [0,1,0,1,0,0|2,0,0]=4 9333 B13R1.485 CCCCN1CCOC[C@@H]1COC 34a_100016989928_100000210210 [0,1,0,1,0,0|2,0,0]=4 9334 B13R1.485 COCCC1CCCCN1COC 2230a_100015186528_100000766300 [0,1,0,1,0,0|2,0,0]=4 9335 B13R1.485 COCCC1CCCCN1COC 269982a_100015186528_100000766300 [0,1,0,1,0,0|2,0,0]=4 9336 B13R1.485 COCCN1CCCCC1COC 2230a_100015184032_100011201679 [0,1,0,1,0,0|2,0,0]=4 9337 B13R1.485 COCCN1CCCCC1COC 269982a_100015184032_100000233755 [0,1,0,1,0,0|2,0,0]=4 9338 B13R1.485 COCCN1CCCCC1COC 34a_100015184032_100011201679 [0,1,0,1,0,0|2,0,0]=4 9339 B13R1.485 COCCN1CCOC[C@@H]1COC 2230a_100016989928_100011201679 [0,1,0,1,0,0|1,0,0]=3 9340 B13R1.485 COCCN1CCOC[C@@H]1COC 269982a_100016989928_100000233755 [0,1,0,1,0,0|1,0,0]=3 9341 B13R1.485 COCCN1CCOC[C@@H]1COC 34a_100016989928_100011201679 [0,1,0,1,0,0|1,0,0]=3 9342 B13R1.485 COC[C@H]1COCCN1CCSC 2230a_100016989928_100000751147 [0,1,0,1,0,0|1,1,0]=4 9343 B13R1.485 COC[C@H]1COCCN1CCSC 269982a_100016989928_100000212216 [0,1,0,1,0,0|1,1,0]=4 9344 B13R1.485 COC[C@H]1COCCN1CCSC 34a_100016989928_100000212216 [0,1,0,1,0,0|1,1,0]=4 9345 B13R1.555 CCCCOCC1COCCC1N 34a_214813039666_100000210210 [0,1,0,1,0,0|2,0,0]=4 9346 B13R1.555 CCCCOCC1COCCN1C 34a_100013547906_100000210210 [0,1,0,1,0,0|2,0,0]=4 9347 B13R1.555 CCOCCOC1CCCCC1C 34a_100000211207_100000210147 [0,1,0,1,0,0|2,0,0]=4 9348 B13R1.555 CCOCCOC1CCCCC1C 7a_100000211207_100011215890 [0,1,0,1,0,0|2,0,0]=4 9349 B13R1.555 CCOCCOC1CNCCC1C 34a_100000696640_100000210147 [0,1,0,1,0,0|2,0,0]=4 9350 B13R1.555 CCOCCOC1COCCC1=O 34a_100000210136_100012180262 [0,1,0,1,0,0|2,0,0]=4 9351 B13R1.555 CCOCCOC1COCCC1=O 7a_100000210136_100012180262 [0,1,0,1,0,0|2,0,0]=4 9352 B13R1.555 CCOCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210147 [0,1,0,1,0,0|2,0,0]=4 9353 B13R1.555 COCCCOC1CCCCC1C 34a_100000211207_100000740836 [0,1,0,1,0,0|2,0,0]=4 9354 B13R1.555 COCCCOC1CCCCC1C 7a_100000211207_100000740836 [0,1,0,1,0,0|2,0,0]=4 9355 B13R1.555 COCCCOC1CNCCC1C 34a_100000696640_100000740836 [0,1,0,1,0,0|2,0,0]=4 9356 B13R1.555 COCCCOC1COCCC1=O 34a_100000740835_100012180262 [0,1,0,1,0,0|2,0,0]=4 9357 B13R1.555 COCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000740836 [0,1,0,1,0,0|2,0,0]=4 9358 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [0,1,0,1,0,0|2,0,0]=4 9359 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [0,1,0,1,0,0|2,0,0]=4 9360 B13R1.555 COCCOCC1CCCCN1C 34a_100000210237_100015186950 [0,1,0,1,0,0|2,0,0]=4 9361 B13R1.555 COCCOCC1CCCCN1C 34a_100000225079_100011201679 [0,1,0,1,0,0|2,0,0]=4 9362 B13R1.555 COCCOCC1COCCC1N 34a_214813039666_100011201679 [0,1,0,1,0,0|1,0,0]=3 9363 B13R1.555 COCCOCC1COCCN1C 34a_100013547906_100011201679 [0,1,0,1,0,0|1,0,0]=3 9364 B13R1.555 COCCOCN1CCCCC1C 2230a_100000211376_100000231047 [0,1,0,1,0,0|2,0,0]=4 9365 B13R1.555 COCCOCN1CCCCC1C 269982a_100000211376_100000231047 [0,1,0,1,0,0|2,0,0]=4 9366 B13R1.555 CSCCOCC1COCCC1N 34a_214813039666_100000212216 [0,1,0,1,0,0|1,1,0]=4 9367 B13R1.555 CSCCOCC1COCCN1C 34a_100013547906_100000212216 [0,1,0,1,0,0|1,1,0]=4 9368 B13R1.559 CCCCOCCOCC1CC1C 34a_100000744939_100000743108 [0,1,0,1,0,0|2,0,0]=4 9369 B13R1.559 CCCCOCCOCC1CC1C 7a_100000744939_100000743108 [0,1,0,1,0,0|2,0,0]=4 9370 B13R1.559 COCCOCCOCC1CC1C 34a_100000744939_100000695917 [0,1,0,1,0,0|1,0,0]=3 9371 B13R1.559 COCCOCCOCC1CC1C 7a_100000744939_100000695917 [0,1,0,1,0,0|1,0,0]=3 9372 B13R1.560 BrCCCCCCCOC1COC1 34a_100000760002_100009818527 [0,1,0,1,0,0|2,0,0]=4 9373 B13R1.560 BrCCCCCCCOC1COC1 7a_100000760002_100009818527 [0,1,0,1,0,0|2,0,0]=4 9374 B13R1.560 C=COCCOCCOC1CCC1 34a_100000039918_100000749161 [0,1,0,1,0,0|1,0,1]=4 9375 B13R1.560 C=COCCOCCOC1COC1 34a_100000039918_100009818527 [0,1,0,1,0,0|0,0,1]=3 9376 B13R1.560 C=COCCOCCOC1COC1 7a_100000039918_100009818527 [0,1,0,1,0,0|0,0,1]=3 9377 B13R1.560 CCCC/C=C\CCOC1COC1 34a_200016286491_100009818527 [0,1,0,1,0,0|2,0,0]=4 9378 B13R1.560 CCCC/C=C\CCOC1COC1 7a_200016286491_100009818527 [0,1,0,1,0,0|2,0,0]=4 9379 B13R1.560 CCCCC#CCCOC1COC1 34a_100000037610_100009818527 [0,1,0,1,0,0|2,0,0]=4 9380 B13R1.560 CCCCC#CCCOC1COC1 7a_100000037610_100009818527 [0,1,0,1,0,0|2,0,0]=4 9381 B13R1.560 CCCCCCCCOC1COC1 34a_100000210232_100009818527 [0,1,0,1,0,0|2,0,0]=4 9382 B13R1.560 CCCCCCCCOC1COC1 7a_100000210232_100009818527 [0,1,0,1,0,0|2,0,0]=4 9383 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,1,0,1,0,0|2,0,0]=4 9384 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,1,0,1,0,0|2,0,0]=4 9385 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,1,0,1,0,0|2,0,0]=4 9386 B13R1.560 CCCCCCCOCC1COC1 34a_100000060846_100000210614 [0,1,0,1,0,0|2,0,0]=4 9387 B13R1.560 CCCCCCCOCC1COC1 34a_100000210272_100010264016 [0,1,0,1,0,0|2,0,0]=4 9388 B13R1.560 CCCCCCCOCC1COC1 7a_100000210272_100010264016 [0,1,0,1,0,0|2,0,0]=4 9389 B13R1.560 CCCCCNCCOC1COC1 34a_100000224656_100009818527 [0,1,0,1,0,0|2,0,0]=4 9390 B13R1.560 CCCCCOCCOC1CCC1 34a_100011215259_100000749161 [0,1,0,1,0,0|2,0,0]=4 9391 B13R1.560 CCCCCOCCOC1COC1 34a_100011215259_100009818527 [0,1,0,1,0,0|1,0,0]=3 9392 B13R1.560 CCCCCOCCOC1COC1 7a_100011215259_100009818527 [0,1,0,1,0,0|1,0,0]=3 9393 B13R1.560 CCCCOCCCNC1COC1 34a_200000211371_100009818527 [0,1,0,1,0,0|2,0,0]=4 9394 B13R1.560 CCCCOCCCOC1CCC1 34a_200011215613_100000749161 [0,1,0,1,0,0|2,0,0]=4 9395 B13R1.560 CCCCOCCCOC1COC1 34a_200011215613_100009818527 [0,1,0,1,0,0|1,0,0]=3 9396 B13R1.560 CCCCOCCCOC1COC1 7a_200011215613_100009818527 [0,1,0,1,0,0|1,0,0]=3 9397 B13R1.560 CCCCOCCNCC1COC1 2230a_100015281925_100000743108 [0,1,0,1,0,0|2,0,0]=4 9398 B13R1.560 CCCCOCCNCC1COC1 34a_100015281925_100000743108 [0,1,0,1,0,0|2,0,0]=4 9399 B13R1.560 CCCCOCCNC[C@@H]1CCO1 2230a_100020831831_100000743108 [0,1,0,1,0,0|2,0,0]=4 9400 B13R1.560 CCCCOCCNC[C@@H]1CCO1 34a_100020831831_100000743108 [0,1,0,1,0,0|2,0,0]=4 9401 B13R1.560 CCCCOCCOCC1CCC1 34a_100000210238_100000763275 [0,1,0,1,0,0|2,0,0]=4 9402 B13R1.560 CCCCOCCOCC1CCC1 34a_100000760304_100000743108 [0,1,0,1,0,0|2,0,0]=4 9403 B13R1.560 CCCCOCCOCC1CCC1 7a_100000210238_100000763275 [0,1,0,1,0,0|2,0,0]=4 9404 B13R1.560 CCCCOCCOCC1CCO1 34a_100000039022_100000743108 [0,1,0,1,0,0|1,0,0]=3 9405 B13R1.560 CCCCOCCOCC1CCO1 34a_100000210238_100000103362 [0,1,0,1,0,0|1,0,0]=3 9406 B13R1.560 CCCCOCCOCC1CCO1 7a_100000210238_100000103362 [0,1,0,1,0,0|1,0,0]=3 9407 B13R1.560 CCCCOCCOCC1CNC1 34a_100016987283_100000743108 [0,1,0,1,0,0|2,0,0]=4 9408 B13R1.560 CCCCOCCOCC1COC1 34a_100000060846_100000743108 [0,1,0,1,0,0|1,0,0]=3 9409 B13R1.560 CCCCOCCOCC1COC1 34a_100000210238_100010264016 [0,1,0,1,0,0|1,0,0]=3 9410 B13R1.560 CCCCOCCOCC1COC1 7a_100000210238_100010264016 [0,1,0,1,0,0|1,0,0]=3 9411 B13R1.560 CCCCOCCSCC1CCO1 62a_100000103362_100000743108 [0,1,0,1,0,0|1,1,0]=4 9412 B13R1.560 CCCCOCCSCC1CCO1 62a_100000743108_100000103362 [0,1,0,1,0,0|1,1,0]=4 9413 B13R1.560 CCCCOCCSCC1COC1 62a_100000743108_100010264016 [0,1,0,1,0,0|1,1,0]=4 9414 B13R1.560 CCCCOCCSCC1COC1 62a_100010264016_100000743108 [0,1,0,1,0,0|1,1,0]=4 9415 B13R1.560 CCCCOCOCCC1COC1 34a_100009855314_100011995733 [0,1,0,1,0,0|2,0,0]=4 9416 B13R1.560 CCCCSCCOCC1CCO1 34a_200000230436_100000103362 [0,1,0,1,0,0|1,1,0]=4 9417 B13R1.560 CCCCSCCOCC1CCO1 7a_200000230436_100000103362 [0,1,0,1,0,0|1,1,0]=4 9418 B13R1.560 CCCCSCCOCC1COC1 34a_200000230436_100010264016 [0,1,0,1,0,0|1,1,0]=4 9419 B13R1.560 CCCCSCCOCC1COC1 7a_200000230436_100010264016 [0,1,0,1,0,0|1,1,0]=4 9420 B13R1.560 CCOCCOCCNC1CCC1 2230a_100000749019_100011211534 [0,1,0,1,0,0|2,0,0]=4 9421 B13R1.560 CCOCCOCCNC1CCC1 270004a_100102712874_100000241760 [0,1,0,1,0,0|2,0,0]=4 9422 B13R1.560 CCOCCOCCNC1CCC1 34a_100000749019_100011211534 [0,1,0,1,0,0|2,0,0]=4 9423 B13R1.560 CCOCCOCCNC1CCC1 34a_100102712874_100000749161 [0,1,0,1,0,0|2,0,0]=4 9424 B13R1.560 CCOCCOCCNC1COC1 2230a_100016991112_100011211534 [0,1,0,1,0,0|1,0,0]=3 9425 B13R1.560 CCOCCOCCNC1COC1 34a_100102712874_100009818527 [0,1,0,1,0,0|1,0,0]=3 9426 B13R1.560 CCOCCOCCOC1CCC1 34a_100000210240_100000749161 [0,1,0,1,0,0|1,0,0]=3 9427 B13R1.560 CCOCCOCCOC1CCC1 34a_100000748187_100011211534 [0,1,0,1,0,0|1,0,0]=3 9428 B13R1.560 CCOCCOCCOC1COC1 34a_100000210240_100009818527 [0,1,0,1,0,0|0,0,0]=2 9429 B13R1.560 CCOCCOCCOC1COC1 7a_100000210240_100009818527 [0,1,0,1,0,0|0,0,0]=2 9430 B13R1.560 CCOCCOCCOC1CSC1 7a_100000072292_100011211534 [0,1,0,1,0,0|0,1,0]=3 9431 B13R1.560 CCOCCOCCSC1CCC1 62a_100011211534_100000749161 [0,1,0,1,0,0|1,1,0]=4 9432 B13R1.560 CCOCCOCCSC1COC1 62a_100011211534_100009818527 [0,1,0,1,0,0|0,1,0]=3 9433 B13R1.560 CNCCCCCOCC1CCO1 34a_100000722520_100000103362 [0,1,0,1,0,0|2,0,0]=4 9434 B13R1.560 CNCCCCCOCC1COC1 34a_100000722520_100010264016 [0,1,0,1,0,0|2,0,0]=4 9435 B13R1.560 CNCCOCCOCC1CCC1 34a_100000228057_100000763275 [0,1,0,1,0,0|2,0,0]=4 9436 B13R1.560 CNCCOCCOCC1CCO1 34a_100000228057_100000103362 [0,1,0,1,0,0|1,0,0]=3 9437 B13R1.560 CNCCOCCOCC1COC1 34a_100000228057_100010264016 [0,1,0,1,0,0|1,0,0]=3 9438 B13R1.560 COCCCCCCNC1COC1 2230a_100016991112_100011998445 [0,1,0,1,0,0|2,0,0]=4 9439 B13R1.560 COCCCCCCOC1CCC1 34a_100000748187_100011998445 [0,1,0,1,0,0|2,0,0]=4 9440 B13R1.560 COCCCCCCOC1CCC1 34a_200012092642_100000749161 [0,1,0,1,0,0|2,0,0]=4 9441 B13R1.560 COCCCCCCOC1COC1 34a_200012092642_100009818527 [0,1,0,1,0,0|1,0,0]=3 9442 B13R1.560 COCCCCCCOC1COC1 7a_200012092642_100009818527 [0,1,0,1,0,0|1,0,0]=3 9443 B13R1.560 COCCCCCCOC1CSC1 7a_100000072292_100011998445 [0,1,0,1,0,0|1,1,0]=4 9444 B13R1.560 COCCCCCCSC1COC1 62a_100011998445_100009818527 [0,1,0,1,0,0|1,1,0]=4 9445 B13R1.560 COCCCCCNCC1CCO1 2230a_100000747528_100000103362 [0,1,0,1,0,0|2,0,0]=4 9446 B13R1.560 COCCCCCNCC1CCO1 34a_100000747528_100000103362 [0,1,0,1,0,0|2,0,0]=4 9447 B13R1.560 COCCCCCNCC1COC1 2230a_100000747528_100010264016 [0,1,0,1,0,0|2,0,0]=4 9448 B13R1.560 COCCCCCNCC1COC1 34a_100000747528_100010264016 [0,1,0,1,0,0|2,0,0]=4 9449 B13R1.560 COCCCCOCCC1COC1 34a_100009855314_100000755781 [0,1,0,1,0,0|2,0,0]=4 9450 B13R1.560 COCCOCCCNC1CCC1 2230a_100000749019_100011216529 [0,1,0,1,0,0|2,0,0]=4 9451 B13R1.560 COCCOCCCNC1CCC1 270004a_100000206027_100000241760 [0,1,0,1,0,0|2,0,0]=4 9452 B13R1.560 COCCOCCCNC1CCC1 34a_100000206027_100000749161 [0,1,0,1,0,0|2,0,0]=4 9453 B13R1.560 COCCOCCCNC1CCC1 34a_100000749019_100011216529 [0,1,0,1,0,0|2,0,0]=4 9454 B13R1.560 COCCOCCCNC1COC1 2230a_100016991112_100011216529 [0,1,0,1,0,0|1,0,0]=3 9455 B13R1.560 COCCOCCCNC1COC1 34a_100000206027_100009818527 [0,1,0,1,0,0|1,0,0]=3 9456 B13R1.560 COCCOCCCOC1CCC1 34a_100000748187_100011216529 [0,1,0,1,0,0|1,0,0]=3 9457 B13R1.560 COCCOCCCOC1CSC1 7a_100000072292_100011216529 [0,1,0,1,0,0|0,1,0]=3 9458 B13R1.560 COCCOCCCSC1CCC1 62a_100011216529_100000749161 [0,1,0,1,0,0|1,1,0]=4 9459 B13R1.560 COCCOCCCSC1COC1 62a_100011216529_100009818527 [0,1,0,1,0,0|0,1,0]=3 9460 B13R1.560 COCCOCCNCC1CCC1 2230a_100000738700_100000695917 [0,1,0,1,0,0|2,0,0]=4 9461 B13R1.560 COCCOCCNCC1CCC1 2230a_100000745349_100000763275 [0,1,0,1,0,0|2,0,0]=4 9462 B13R1.560 COCCOCCNCC1CCC1 269862a_100000745349_100000753134 [0,1,0,1,0,0|2,0,0]=4 9463 B13R1.560 COCCOCCNCC1CCC1 34a_100000738700_100000695917 [0,1,0,1,0,0|2,0,0]=4 9464 B13R1.560 COCCOCCNCC1CCC1 34a_100000745349_100000763275 [0,1,0,1,0,0|2,0,0]=4 9465 B13R1.560 COCCOCCNCC1CCO1 2230a_100000745349_100000103362 [0,1,0,1,0,0|1,0,0]=3 9466 B13R1.560 COCCOCCNCC1CCO1 34a_100000745349_100000103362 [0,1,0,1,0,0|1,0,0]=3 9467 B13R1.560 COCCOCCNCC1COC1 2230a_100000745349_100010264016 [0,1,0,1,0,0|1,0,0]=3 9468 B13R1.560 COCCOCCNCC1COC1 2230a_100015281925_100000695917 [0,1,0,1,0,0|1,0,0]=3 9469 B13R1.560 COCCOCCNCC1COC1 34a_100000745349_100010264016 [0,1,0,1,0,0|1,0,0]=3 9470 B13R1.560 COCCOCCNCC1COC1 34a_100015281925_100000695917 [0,1,0,1,0,0|1,0,0]=3 9471 B13R1.560 COCCOCCNC[C@@H]1CCO1 2230a_100020831831_100000695917 [0,1,0,1,0,0|1,0,0]=3 9472 B13R1.560 COCCOCCNC[C@@H]1CCO1 34a_100020831831_100000695917 [0,1,0,1,0,0|1,0,0]=3 9473 B13R1.560 COCCOCCOCC1CCC1 34a_100000760304_100000695917 [0,1,0,1,0,0|1,0,0]=3 9474 B13R1.560 COCCOCCOCC1CCC1 34a_100011215163_100000763275 [0,1,0,1,0,0|1,0,0]=3 9475 B13R1.560 COCCOCCOCC1CCC1 7a_100011215163_100000763275 [0,1,0,1,0,0|1,0,0]=3 9476 B13R1.560 COCCOCCOCC1CCO1 34a_100000039022_100000695917 [0,1,0,1,0,0|0,0,0]=2 9477 B13R1.560 COCCOCCOCC1CCO1 34a_100011215163_100000103362 [0,1,0,1,0,0|0,0,0]=2 9478 B13R1.560 COCCOCCOCC1CCO1 7a_100011215163_100000103362 [0,1,0,1,0,0|0,0,0]=2 9479 B13R1.560 COCCOCCOCC1CNC1 34a_100016987283_100000695917 [0,1,0,1,0,0|1,0,0]=3 9480 B13R1.560 COCCOCCOCC1COC1 34a_100000060846_100000695917 [0,1,0,1,0,0|0,0,0]=2 9481 B13R1.560 COCCOCCOCC1COC1 34a_100011215163_100010264016 [0,1,0,1,0,0|0,0,0]=2 9482 B13R1.560 COCCOCCOCC1COC1 7a_100011215163_100010264016 [0,1,0,1,0,0|0,0,0]=2 9483 B13R1.560 COCCOCCSCC1CCC1 62a_100000695917_100000763275 [0,1,0,1,0,0|1,1,0]=4 9484 B13R1.560 COCCOCCSCC1CCC1 62a_100000763275_100000695917 [0,1,0,1,0,0|1,1,0]=4 9485 B13R1.560 COCCOCCSCC1CCO1 62a_100000103362_100000695917 [0,1,0,1,0,0|0,1,0]=3 9486 B13R1.560 COCCOCCSCC1CCO1 62a_100000695917_100000103362 [0,1,0,1,0,0|0,1,0]=3 9487 B13R1.560 COCCOCCSCC1COC1 62a_100000695917_100010264016 [0,1,0,1,0,0|0,1,0]=3 9488 B13R1.560 COCCOCCSCC1COC1 62a_100010264016_100000695917 [0,1,0,1,0,0|0,1,0]=3 9489 B13R1.560 NCCCCCCCOC1COC1 34a_100011996573_100009818527 [0,1,0,1,0,0|2,0,0]=4 9490 B13R1.560 NCCCOCCCOC1COC1 34a_100011310245_100009818527 [0,1,0,1,0,0|2,0,0]=4 9491 B13R1.659 BrCCCCCCCOCC1CO1 34a_100000760002_102125554688 [0,1,0,1,0,0|2,0,0]=4 9492 B13R1.659 BrCCCCCCCOCC1CO1 7a_100000760002_102125554688 [0,1,0,1,0,0|2,0,0]=4 9493 B13R1.659 BrCCCCCCCOC[C@@H]1CO1 7a_100000760002_100000745022 [0,1,0,1,0,0|2,0,0]=4 9494 B13R1.659 C=COCCOCCOCC1CC1 34a_100000039918_100000742324 [0,1,0,1,0,0|1,0,1]=4 9495 B13R1.659 C=COCCOCCOCC1CC1 7a_100000039918_100000742324 [0,1,0,1,0,0|1,0,1]=4 9496 B13R1.659 C=COCCOCCOCC1CO1 34a_100000039918_102125554688 [0,1,0,1,0,0|0,0,1]=3 9497 B13R1.659 C=COCCOCCOCC1CO1 7a_100000039918_102125554688 [0,1,0,1,0,0|0,0,1]=3 9498 B13R1.659 C=COCCOCCOCC1CS1 7a_100000039918_100000031435 [0,1,0,1,0,0|0,1,1]=4 9499 B13R1.659 C=COCCOCCOC[C@@H]1CO1 7a_100000039918_100000745022 [0,1,0,1,0,0|0,0,1]=3 9500 B13R1.659 CCCC/C=C\CCOCC1CO1 34a_200016286491_102125554688 [0,1,0,1,0,0|2,0,0]=4 9501 B13R1.659 CCCC/C=C\CCOCC1CO1 7a_200016286491_102125554688 [0,1,0,1,0,0|2,0,0]=4 9502 B13R1.659 CCCC/C=C\CCOC[C@@H]1CO1 7a_200016286491_100000745022 [0,1,0,1,0,0|2,0,0]=4 9503 B13R1.659 CCCCC#CCCOCC1CO1 34a_100000037610_102125554688 [0,1,0,1,0,0|2,0,0]=4 9504 B13R1.659 CCCCC#CCCOCC1CO1 7a_100000037610_102125554688 [0,1,0,1,0,0|2,0,0]=4 9505 B13R1.659 CCCCC#CCCOC[C@@H]1CO1 7a_100000037610_100000745022 [0,1,0,1,0,0|2,0,0]=4 9506 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|2,0,0]=4 9507 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|2,0,0]=4 9508 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|2,0,0]=4 9509 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|2,0,0]=4 9510 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,1,0,1,0,0|2,0,0]=4 9511 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,1,0,1,0,0|2,0,0]=4 9512 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,1,0,1,0,0|2,0,0]=4 9513 B13R1.659 CCCCCNCCOCC1CO1 34a_100000224656_102125554688 [0,1,0,1,0,0|2,0,0]=4 9514 B13R1.659 CCCCCOCCOCC1CC1 34a_100011215259_100000742324 [0,1,0,1,0,0|2,0,0]=4 9515 B13R1.659 CCCCCOCCOCC1CC1 7a_100011215259_100000742324 [0,1,0,1,0,0|2,0,0]=4 9516 B13R1.659 CCCCCOCCOCC1CO1 34a_100011215259_102125554688 [0,1,0,1,0,0|1,0,0]=3 9517 B13R1.659 CCCCCOCCOCC1CO1 7a_100011215259_102125554688 [0,1,0,1,0,0|1,0,0]=3 9518 B13R1.659 CCCCCOCCOCC1CS1 7a_100011215259_100000031435 [0,1,0,1,0,0|1,1,0]=4 9519 B13R1.659 CCCCCOCCOC[C@@H]1CO1 7a_100011215259_100000745022 [0,1,0,1,0,0|1,0,0]=3 9520 B13R1.659 CCCCOCCCNCC1CO1 2230a_200000211371_100011216344 [0,1,0,1,0,0|2,0,0]=4 9521 B13R1.659 CCCCOCCCNCC1CO1 34a_200000211371_102125554688 [0,1,0,1,0,0|2,0,0]=4 9522 B13R1.659 CCCCOCCCOCC1CC1 34a_200011215613_100000742324 [0,1,0,1,0,0|2,0,0]=4 9523 B13R1.659 CCCCOCCCOCC1CC1 7a_200011215613_100000742324 [0,1,0,1,0,0|2,0,0]=4 9524 B13R1.659 CCCCOCCCOCC1CO1 34a_200011215613_102125554688 [0,1,0,1,0,0|1,0,0]=3 9525 B13R1.659 CCCCOCCCOCC1CO1 7a_200011215613_102125554688 [0,1,0,1,0,0|1,0,0]=3 9526 B13R1.659 CCCCOCCCOCC1CS1 7a_200011215613_100000031435 [0,1,0,1,0,0|1,1,0]=4 9527 B13R1.659 CCCCOCCCOC[C@@H]1CO1 7a_200011215613_100000745022 [0,1,0,1,0,0|1,0,0]=3 9528 B13R1.659 CCCCOCCOCCC1CC1 34a_100000210238_100000694398 [0,1,0,1,0,0|2,0,0]=4 9529 B13R1.659 CCCCOCCOCCC1CC1 34a_100000754188_100000743108 [0,1,0,1,0,0|2,0,0]=4 9530 B13R1.659 CCCCOCCOCCC1CC1 7a_100000210238_100000764125 [0,1,0,1,0,0|2,0,0]=4 9531 B13R1.659 CCCCOCCOCCC1CC1 7a_100000754188_100000743108 [0,1,0,1,0,0|2,0,0]=4 9532 B13R1.659 CCCCOCCOCCC1CO1 34a_100000210238_100000732470 [0,1,0,1,0,0|1,0,0]=3 9533 B13R1.659 CCCCOCCOCCC1CO1 7a_100000210238_100000732470 [0,1,0,1,0,0|1,0,0]=3 9534 B13R1.659 CCCCOCCOCC[C@@H]1CO1 34a_100009820653_100000743108 [0,1,0,1,0,0|1,0,0]=3 9535 B13R1.659 CCCCOCCSCCC1CO1 62a_100000732470_100000743108 [0,1,0,1,0,0|1,1,0]=4 9536 B13R1.659 CCCCOCCSCCC1CO1 62a_100000743108_100000732470 [0,1,0,1,0,0|1,1,0]=4 9537 B13R1.659 CCCCOCSCCCC1CO1 62a_100000733510_100011995733 [0,1,0,1,0,0|2,0,0]=4 9538 B13R1.659 CCCCOCSCCCC1CO1 62a_100011995733_100000733510 [0,1,0,1,0,0|2,0,0]=4 9539 B13R1.659 CCCCSCCOCCC1CO1 34a_200000230436_100000732470 [0,1,0,1,0,0|1,1,0]=4 9540 B13R1.659 CCCCSCCOCCC1CO1 7a_200000230436_100000732470 [0,1,0,1,0,0|1,1,0]=4 9541 B13R1.659 CCCOCCCCOCC1CO1 34a_100010889290_100000210303 [0,1,0,1,0,0|2,0,0]=4 9542 B13R1.659 CCCOCCCCOCC1CO1 7a_100010889290_100000210303 [0,1,0,1,0,0|2,0,0]=4 9543 B13R1.659 CCOCCOCCNCC1CC1 2230a_100000735609_100011211534 [0,1,0,1,0,0|2,0,0]=4 9544 B13R1.659 CCOCCOCCNCC1CC1 2230a_100102712874_100000742324 [0,1,0,1,0,0|2,0,0]=4 9545 B13R1.659 CCOCCOCCNCC1CC1 269862a_100102712874_100000741477 [0,1,0,1,0,0|2,0,0]=4 9546 B13R1.659 CCOCCOCCNCC1CC1 34a_100000735609_100011211534 [0,1,0,1,0,0|2,0,0]=4 9547 B13R1.659 CCOCCOCCNCC1CC1 34a_100102712874_100000742324 [0,1,0,1,0,0|2,0,0]=4 9548 B13R1.659 CCOCCOCCNCC1CO1 2230a_100102712874_100011216344 [0,1,0,1,0,0|1,0,0]=3 9549 B13R1.659 CCOCCOCCNCC1CO1 34a_100102712874_102125554688 [0,1,0,1,0,0|1,0,0]=3 9550 B13R1.659 CCOCCOCCOCC1CC1 34a_100000210240_100000742324 [0,1,0,1,0,0|1,0,0]=3 9551 B13R1.659 CCOCCOCCOCC1CC1 34a_100000211283_100011211534 [0,1,0,1,0,0|1,0,0]=3 9552 B13R1.659 CCOCCOCCOCC1CC1 7a_100000210240_100000742324 [0,1,0,1,0,0|1,0,0]=3 9553 B13R1.659 CCOCCOCCOCC1CO1 34a_100000210240_102125554688 [0,1,0,1,0,0|0,0,0]=2 9554 B13R1.659 CCOCCOCCOCC1CO1 7a_100000210240_102125554688 [0,1,0,1,0,0|0,0,0]=2 9555 B13R1.659 CCOCCOCCOCC1CS1 7a_100000210240_100000031435 [0,1,0,1,0,0|0,1,0]=3 9556 B13R1.659 CCOCCOCCOC[C@@H]1CO1 34a_100000757423_100011211534 [0,1,0,1,0,0|0,0,0]=2 9557 B13R1.659 CCOCCOCCOC[C@@H]1CO1 7a_100000210240_100000745022 [0,1,0,1,0,0|0,0,0]=2 9558 B13R1.659 CCOCCOCCSCC1CC1 62a_100000756562_100011211534 [0,1,0,1,0,0|1,1,0]=4 9559 B13R1.659 CCOCCOCCSCC1CC1 62a_100011211534_100000742324 [0,1,0,1,0,0|1,1,0]=4 9560 B13R1.659 CCOCCOCCSCC1CO1 62a_100011211534_102125554688 [0,1,0,1,0,0|0,1,0]=3 9561 B13R1.659 CCOCCOCCSCC1CO1 62a_102125554688_100011211534 [0,1,0,1,0,0|0,1,0]=3 9562 B13R1.659 CCOCCOCCSCC1CS1 62a_100000031435_100011211534 [0,1,0,1,0,0|0,2,0]=4 9563 B13R1.659 CCOCCOCCSCC1CS1 62a_100011211534_100000031435 [0,1,0,1,0,0|0,2,0]=4 9564 B13R1.659 CCOCCOCCSC[C@@H]1CO1 62a_100000745022_100011211534 [0,1,0,1,0,0|0,1,0]=3 9565 B13R1.659 CCOCCOCCSC[C@@H]1CO1 62a_100011211534_100000745022 [0,1,0,1,0,0|0,1,0]=3 9566 B13R1.659 CNCCCCCOCCC1CO1 34a_100000722520_100000732470 [0,1,0,1,0,0|2,0,0]=4 9567 B13R1.659 CNCCOCCOCCC1CC1 34a_100000228057_100000694398 [0,1,0,1,0,0|2,0,0]=4 9568 B13R1.659 CNCCOCCOCCC1CO1 34a_100000228057_100000732470 [0,1,0,1,0,0|1,0,0]=3 9569 B13R1.659 COCCCCCCOCC1CC1 34a_100000211283_100011998445 [0,1,0,1,0,0|2,0,0]=4 9570 B13R1.659 COCCCCCCOCC1CC1 34a_200012092642_100000742324 [0,1,0,1,0,0|2,0,0]=4 9571 B13R1.659 COCCCCCCOCC1CC1 7a_200012092642_100000742324 [0,1,0,1,0,0|2,0,0]=4 9572 B13R1.659 COCCCCCCOCC1CO1 34a_200012092642_102125554688 [0,1,0,1,0,0|1,0,0]=3 9573 B13R1.659 COCCCCCCOCC1CO1 7a_200012092642_102125554688 [0,1,0,1,0,0|1,0,0]=3 9574 B13R1.659 COCCCCCCOCC1CS1 7a_200012092642_100000031435 [0,1,0,1,0,0|1,1,0]=4 9575 B13R1.659 COCCCCCCOC[C@@H]1CO1 34a_100000757423_100011998445 [0,1,0,1,0,0|1,0,0]=3 9576 B13R1.659 COCCCCCCOC[C@@H]1CO1 7a_200012092642_100000745022 [0,1,0,1,0,0|1,0,0]=3 9577 B13R1.659 COCCCCCCSCC1CO1 62a_100011998445_102125554688 [0,1,0,1,0,0|1,1,0]=4 9578 B13R1.659 COCCCCCCSCC1CO1 62a_102125554688_100011998445 [0,1,0,1,0,0|1,1,0]=4 9579 B13R1.659 COCCCCCCSC[C@@H]1CO1 62a_100000745022_100011998445 [0,1,0,1,0,0|1,1,0]=4 9580 B13R1.659 COCCCCCCSC[C@@H]1CO1 62a_100011998445_100000745022 [0,1,0,1,0,0|1,1,0]=4 9581 B13R1.659 COCCCCCNCCC1CO1 2230a_100000747528_100000732470 [0,1,0,1,0,0|2,0,0]=4 9582 B13R1.659 COCCCCCNCCC1CO1 34a_100000747528_100000732470 [0,1,0,1,0,0|2,0,0]=4 9583 B13R1.659 COCCCCOCCCC1CO1 34a_100000740925_100000733510 [0,1,0,1,0,0|2,0,0]=4 9584 B13R1.659 COCCCCSCCCC1CO1 62a_100000730899_100000733510 [0,1,0,1,0,0|2,0,0]=4 9585 B13R1.659 COCCCCSCCCC1CO1 62a_100000733510_100000730899 [0,1,0,1,0,0|2,0,0]=4 9586 B13R1.659 COCCOCCCNCC1CC1 2230a_100000206027_100000742324 [0,1,0,1,0,0|2,0,0]=4 9587 B13R1.659 COCCOCCCNCC1CC1 2230a_100000735609_100011216529 [0,1,0,1,0,0|2,0,0]=4 9588 B13R1.659 COCCOCCCNCC1CC1 269862a_100000206027_100000741477 [0,1,0,1,0,0|2,0,0]=4 9589 B13R1.659 COCCOCCCNCC1CC1 34a_100000206027_100000742324 [0,1,0,1,0,0|2,0,0]=4 9590 B13R1.659 COCCOCCCNCC1CC1 34a_100000735609_100011216529 [0,1,0,1,0,0|2,0,0]=4 9591 B13R1.659 COCCOCCCNCC1CO1 2230a_100000206027_100011216344 [0,1,0,1,0,0|1,0,0]=3 9592 B13R1.659 COCCOCCCNCC1CO1 34a_100000206027_102125554688 [0,1,0,1,0,0|1,0,0]=3 9593 B13R1.659 COCCOCCCOCC1CC1 34a_100000211283_100011216529 [0,1,0,1,0,0|1,0,0]=3 9594 B13R1.659 COCCOCCCOC[C@@H]1CO1 34a_100000757423_100011216529 [0,1,0,1,0,0|0,0,0]=2 9595 B13R1.659 COCCOCCCSCC1CC1 62a_100000756562_100011216529 [0,1,0,1,0,0|1,1,0]=4 9596 B13R1.659 COCCOCCCSCC1CC1 62a_100011216529_100000742324 [0,1,0,1,0,0|1,1,0]=4 9597 B13R1.659 COCCOCCCSCC1CO1 62a_100011216529_102125554688 [0,1,0,1,0,0|0,1,0]=3 9598 B13R1.659 COCCOCCCSCC1CO1 62a_102125554688_100011216529 [0,1,0,1,0,0|0,1,0]=3 9599 B13R1.659 COCCOCCCSCC1CS1 62a_100000031435_100011216529 [0,1,0,1,0,0|0,2,0]=4 9600 B13R1.659 COCCOCCCSCC1CS1 62a_100011216529_100000031435 [0,1,0,1,0,0|0,2,0]=4 9601 B13R1.659 COCCOCCCSC[C@@H]1CO1 62a_100000745022_100011216529 [0,1,0,1,0,0|0,1,0]=3 9602 B13R1.659 COCCOCCCSC[C@@H]1CO1 62a_100011216529_100000745022 [0,1,0,1,0,0|0,1,0]=3 9603 B13R1.659 COCCOCCNCCC1CC1 2230a_100000745349_100000694398 [0,1,0,1,0,0|2,0,0]=4 9604 B13R1.659 COCCOCCNCCC1CC1 34a_100000745349_100000694398 [0,1,0,1,0,0|2,0,0]=4 9605 B13R1.659 COCCOCCNCCC1CC1 34a_100000764129_100000695917 [0,1,0,1,0,0|2,0,0]=4 9606 B13R1.659 COCCOCCNCCC1CO1 2230a_100000745349_100000732470 [0,1,0,1,0,0|1,0,0]=3 9607 B13R1.659 COCCOCCNCCC1CO1 34a_100000745349_100000732470 [0,1,0,1,0,0|1,0,0]=3 9608 B13R1.659 COCCOCCOCCC1CC1 34a_100000754188_100000695917 [0,1,0,1,0,0|1,0,0]=3 9609 B13R1.659 COCCOCCOCCC1CC1 34a_100011215163_100000694398 [0,1,0,1,0,0|1,0,0]=3 9610 B13R1.659 COCCOCCOCCC1CC1 7a_100000754188_100000695917 [0,1,0,1,0,0|1,0,0]=3 9611 B13R1.659 COCCOCCOCCC1CC1 7a_100011215163_100000764125 [0,1,0,1,0,0|1,0,0]=3 9612 B13R1.659 COCCOCCOCCC1CO1 34a_100011215163_100000732470 [0,1,0,1,0,0|0,0,0]=2 9613 B13R1.659 COCCOCCOCCC1CO1 7a_100011215163_100000732470 [0,1,0,1,0,0|0,0,0]=2 9614 B13R1.659 COCCOCCOCC[C@@H]1CO1 34a_100009820653_100000695917 [0,1,0,1,0,0|0,0,0]=2 9615 B13R1.659 COCCOCCSCCC1CC1 62a_100000695917_100000764125 [0,1,0,1,0,0|1,1,0]=4 9616 B13R1.659 COCCOCCSCCC1CC1 62a_100000764125_100000695917 [0,1,0,1,0,0|1,1,0]=4 9617 B13R1.659 COCCOCCSCCC1CO1 62a_100000695917_100000732470 [0,1,0,1,0,0|0,1,0]=3 9618 B13R1.659 COCCOCCSCCC1CO1 62a_100000732470_100000695917 [0,1,0,1,0,0|0,1,0]=3 9619 B13R1.659 COCCOCSCCCC1CO1 62a_100000231047_100000733510 [0,1,0,1,0,0|1,0,0]=3 9620 B13R1.659 COCCOCSCCCC1CO1 62a_100000733510_100000231047 [0,1,0,1,0,0|1,0,0]=3 9621 B13R1.659 CSCOCCCCOCC1CO1 34a_100010889290_100011218213 [0,1,0,1,0,0|1,1,0]=4 9622 B13R1.659 NCCCCCCCOCC1CO1 34a_100011996573_102125554688 [0,1,0,1,0,0|2,0,0]=4 9623 B13R1.659 NCCCOCCCOCC1CO1 34a_100011310245_102125554688 [0,1,0,1,0,0|2,0,0]=4 9624 B13R1.659 OCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000760002 [0,1,0,1,0,0|2,0,0]=4 9625 B13R1.667 CCOCCOCCN1CCC1C 269982a_100000755817_100011211534 [0,1,0,1,0,0|2,0,0]=4 9626 B13R1.667 CCOCCOCCN1CCC1C 34a_100000755817_100011211534 [0,1,0,1,0,0|2,0,0]=4 9627 B13R1.667 COCCOCCCN1CCC1C 269982a_100000755817_100011216529 [0,1,0,1,0,0|2,0,0]=4 9628 B13R1.667 COCCOCCCN1CCC1C 34a_100000755817_100011216529 [0,1,0,1,0,0|2,0,0]=4 9629 B13R1.667 COCCOCCOC1CCC1=O 34a_100011215163_100009892977 [0,1,0,1,0,0|1,0,1]=4 9630 B13R1.667 COCCOCCOC1CCC1=O 7a_100011215163_100009892977 [0,1,0,1,0,0|1,0,1]=4 9631 B13R1.671 CCOCCN1CCC[C@H]1COC 2230a_100020646714_100011215890 [0,1,0,1,0,0|2,0,0]=4 9632 B13R1.671 CCOCCN1CCC[C@H]1COC 269982a_100020646714_100011215890 [0,1,0,1,0,0|2,0,0]=4 9633 B13R1.671 CCOCCN1CCC[C@H]1COC 34a_100020646714_100000210147 [0,1,0,1,0,0|2,0,0]=4 9634 B13R1.671 COCCCN1CCC[C@H]1COC 2230a_100020646714_100000740836 [0,1,0,1,0,0|2,0,0]=4 9635 B13R1.671 COCCCN1CCC[C@H]1COC 269982a_100020646714_100000740836 [0,1,0,1,0,0|2,0,0]=4 9636 B13R1.671 COCCCN1CCC[C@H]1COC 34a_100020646714_100000740836 [0,1,0,1,0,0|2,0,0]=4 9637 B13R1.1150 COCCOC1CCCCCCC1 34a_100000210054_100011201679 [0,1,0,1,0,0|2,0,0]=4 9638 B13R1.1150 COCCOC1CCCCCCC1 7a_100000210054_100000233755 [0,1,0,1,0,0|2,0,0]=4 9639 B13R1.1887 CCCCOCC1CNCCOC1 34a_100103147999_100000210210 [0,1,0,1,0,0|2,0,0]=4 9640 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210136_100011217769 [0,1,0,1,0,0|2,0,0]=4 9641 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210887_100000210147 [0,1,0,1,0,0|2,0,0]=4 9642 B13R1.1887 CCOCCOC1CCCCCC1 7a_100000210887_100011215890 [0,1,0,1,0,0|2,0,0]=4 9643 B13R1.1887 COCCCOC1CCCCCC1 34a_100000210887_100000740836 [0,1,0,1,0,0|2,0,0]=4 9644 B13R1.1887 COCCCOC1CCCCCC1 34a_100000740835_100011217769 [0,1,0,1,0,0|2,0,0]=4 9645 B13R1.1887 COCCCOC1CCCCCC1 7a_100000210887_100000740836 [0,1,0,1,0,0|2,0,0]=4 9646 B13R1.1887 COCCOCC1CCCCCC1 34a_100000210237_200000696569 [0,1,0,1,0,0|2,0,0]=4 9647 B13R1.1887 COCCOCC1CCCCCC1 34a_100000699130_100011201679 [0,1,0,1,0,0|2,0,0]=4 9648 B13R1.1887 COCCOCC1CCCCCC1 7a_100000699130_100000233755 [0,1,0,1,0,0|2,0,0]=4 9649 B13R1.1887 COCCOCC1CNCCOC1 34a_100103147999_100011201679 [0,1,0,1,0,0|1,0,0]=3 9650 B13R1.1887 COCCOCN1CCCCCC1 2230a_100000185865_100000231047 [0,1,0,1,0,0|2,0,0]=4 9651 B13R1.1887 COCCOCN1CCCCCC1 269982a_100000185865_100000231047 [0,1,0,1,0,0|2,0,0]=4 9652 B13R1.1887 COCCOCN1CCCOCC1 2230a_100000685342_100000231047 [0,1,0,1,0,0|2,0,0]=4 9653 B13R1.1887 COCCOCN1CCCOCC1 269982a_100000685342_100000231047 [0,1,0,1,0,0|2,0,0]=4 9654 B13R1.1887 CSCCOCC1CNCCOC1 34a_100103147999_100000212216 [0,1,0,1,0,0|1,1,0]=4 9655 B13R1.24 COCCCC(=O)C1COCCO1 1458a_100000045528_100000740836 [0,1,0,1,0,0|1,0,1]=4 9656 B13R1.24 COCCNC(=O)C1COCCO1 1626a_100000209980_100000045528 [0,1,0,1,0,0|1,0,1]=4 9657 B13R1.24 COCCNC(=O)C1COCCO1 240690a_100000209980_100000045528 [0,1,0,1,0,0|1,0,1]=4 9658 B13R1.24 COCCNC(=O)C1COCCO1 527a_100000209980_100000045528 [0,1,0,1,0,0|1,0,1]=4 9659 B13R1.24 COCCOC(C)C1CCCCC1 34a_100011216961_100011201679 [0,1,0,1,0,0|2,0,0]=4 9660 B13R1.24 COCCOC(C)C1CCCCC1 7a_100011216961_100000233755 [0,1,0,1,0,0|2,0,0]=4 9661 B13R1.24 COCCOC(C)C1CCCNC1 34a_100000740858_100011201679 [0,1,0,1,0,0|2,0,0]=4 9662 B13R1.48 COCCOCC(=O)C1CCOC1 1458a_100000211095_100000690089 [0,1,0,1,0,0|1,0,1]=4 9663 B13R1.48 COCCOCN(C)C1CCOC1 2230a_100016988252_100000231047 [0,1,0,1,0,0|2,0,0]=4 9664 B13R1.48 COCCOCN(C)C1CCOC1 269982a_100016988252_100000231047 [0,1,0,1,0,0|2,0,0]=4 9665 B13R1.189 COCCOCN1CC[C@H](C1)OC 2230a_100000766984_100000231047 [0,1,0,1,0,0|2,0,0]=4 9666 B13R1.189 COCCOCN1CC[C@H](C1)OC 269982a_100000766984_100000231047 [0,1,0,1,0,0|2,0,0]=4 9667 B13R1.666 CCC1CCCC(C1)OCCOC 7a_100011985506_100000233755 [0,1,0,1,0,0|2,0,0]=4 9668 B13R1.725 COCCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100011201679 [0,1,0,1,0,0|2,0,0]=4 9669 B13R1.728 COCCOC(=O)CNC1COC1 2230a_100016991112_200000040189 [0,1,0,1,0,0|1,0,1]=4 9670 B13R1.728 COCCOC(=O)COC1CCC1 34a_100000748187_200000040189 [0,1,0,1,0,0|1,0,1]=4 9671 B13R1.728 COCCOC(=O)COC1CSC1 7a_100000072292_200000040189 [0,1,0,1,0,0|0,1,1]=4 9672 B13R1.728 COCCOC(=O)CSC1COC1 62a_200000040189_100009818527 [0,1,0,1,0,0|0,1,1]=4 9673 B13R1.729 CCCCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000211628 [0,1,0,1,0,0|1,0,1]=4 9674 B13R1.729 COCCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183275 [0,1,0,1,0,0|1,0,1]=4 9675 B13R1.729 COCCOC(=O)COCC1CC1 34a_100000211283_200000040189 [0,1,0,1,0,0|1,0,1]=4 9676 B13R1.729 COCCOC(=O)COC[C@@H]1CO1 34a_100000757423_200000040189 [0,1,0,1,0,0|0,0,1]=3 9677 B13R1.729 COCCOC(=O)CSCC1CO1 62a_102125554688_200000040189 [0,1,0,1,0,0|0,1,1]=4 9678 B13R1.729 COCCOC(=O)CSCC1CO1 62a_200000040189_102125554688 [0,1,0,1,0,0|0,1,1]=4 9679 B13R1.729 COCCOC(=O)CSC[C@@H]1CO1 62a_100000745022_200000040189 [0,1,0,1,0,0|0,1,1]=4 9680 B13R1.729 COCCOC(=O)CSC[C@@H]1CO1 62a_200000040189_100000745022 [0,1,0,1,0,0|0,1,1]=4 9681 B13R1.2465 COCCOC1(CCCCCC1)C 34a_100000708895_100011201679 [0,1,0,1,0,0|2,0,0]=4 9682 B13R1.2465 COCCOC1(CCCCCC1)C 7a_100000708895_100000233755 [0,1,0,1,0,0|2,0,0]=4 9683 B13R1.2916 CCCCCCC(C)OC1COC1 34a_100000210265_100009818527 [0,1,0,1,0,0|2,0,0]=4 9684 B13R1.2916 CCCCCCC(C)OC1COC1 7a_100000210265_100009818527 [0,1,0,1,0,0|2,0,0]=4 9685 B13R1.2916 CCCCOCC(C)OC1CCC1 34a_100011217071_100000749161 [0,1,0,1,0,0|2,0,0]=4 9686 B13R1.2916 CCCCOCC(C)OC1COC1 34a_100011217071_100009818527 [0,1,0,1,0,0|1,0,0]=3 9687 B13R1.2916 CCCCOCC(C)OC1COC1 7a_100011217071_100009818527 [0,1,0,1,0,0|1,0,0]=3 9688 B13R1.2916 COCCOCC(=O)CC1COC1 1458a_100000211095_100010264016 [0,1,0,1,0,0|1,0,1]=4 9689 B13R1.2916 COCCOCC(=O)NC1COC1 11a_100016991112_100000211095 [0,1,0,1,0,0|1,0,1]=4 9690 B13R1.2916 COCCOCC(=O)NC1COC1 1626a_100016991112_100000211095 [0,1,0,1,0,0|1,0,1]=4 9691 B13R1.2916 COCCOCC(=O)NC1COC1 240690a_100016991112_100000211095 [0,1,0,1,0,0|1,0,1]=4 9692 B13R1.2916 COCCOCC(=O)NC1COC1 527a_100016991112_100000211095 [0,1,0,1,0,0|1,0,1]=4 9693 B13R1.2917 CCCCCCC(C)OCC1CO1 34a_100000210265_102125554688 [0,1,0,1,0,0|2,0,0]=4 9694 B13R1.2917 CCCCCCC(C)OCC1CO1 7a_100000210265_102125554688 [0,1,0,1,0,0|2,0,0]=4 9695 B13R1.2917 CCCCCCC(C)OC[C@@H]1CO1 34a_100000757423_100011215978 [0,1,0,1,0,0|2,0,0]=4 9696 B13R1.2917 CCCCCCC(C)OC[C@@H]1CO1 7a_100000210265_100000745022 [0,1,0,1,0,0|2,0,0]=4 9697 B13R1.2917 CCCCOCC(C)OCC1CC1 34a_100011217071_100000742324 [0,1,0,1,0,0|2,0,0]=4 9698 B13R1.2917 CCCCOCC(C)OCC1CC1 7a_100011217071_100000742324 [0,1,0,1,0,0|2,0,0]=4 9699 B13R1.2917 CCCCOCC(C)OCC1CO1 34a_100011217071_102125554688 [0,1,0,1,0,0|1,0,0]=3 9700 B13R1.2917 CCCCOCC(C)OCC1CO1 7a_100011217071_102125554688 [0,1,0,1,0,0|1,0,0]=3 9701 B13R1.2917 CCCCOCC(C)OCC1CS1 7a_100011217071_100000031435 [0,1,0,1,0,0|1,1,0]=4 9702 B13R1.2917 CCCCOCC(C)OC[C@@H]1CO1 7a_100011217071_100000745022 [0,1,0,1,0,0|1,0,0]=3 9703 B13R1.2917 COCCOCC(=O)CCC1CO1 1458a_100000211095_100000732470 [0,1,0,1,0,0|1,0,1]=4 9704 B13R1.3674 COCCOCC1(CCCCC1)C 34a_100000688186_100011201679 [0,1,0,1,0,0|2,0,0]=4 9705 B13R1.3674 COCCOCC1(CCCCC1)C 7a_100000688186_100000233755 [0,1,0,1,0,0|2,0,0]=4 9706 B13R1.3674 COCCOCC1(CCCCC1)F 34a_100000090305_100011201679 [0,1,0,1,0,0|2,0,0]=4 9707 B13R1.3674 COCCOCC1(CCCCC1)F 7a_100000090305_100000233755 [0,1,0,1,0,0|2,0,0]=4 9708 B13R1.3674 COCCOCC1(CCCCC1)N 34a_100000740034_100011201679 [0,1,0,1,0,0|2,0,0]=4 9709 B13R1.8919 COCCOC1C(CCCC1C)C 34a_100011218088_100011201679 [0,1,0,1,0,0|2,0,0]=4 9710 B13R1.8919 COCCOC1C(CCCC1C)C 7a_100011218088_100000233755 [0,1,0,1,0,0|2,0,0]=4 9711 B13R1.27 COCCOCCN1CCC(C1)O 2230a_100011215560_100000695917 [0,1,0,1,0,0|2,0,0]=4 9712 B13R1.27 COCCOCCN1CCC(C1)O 269982a_100011215560_100000695917 [0,1,0,1,0,0|2,0,0]=4 9713 B13R1.27 COCCOCCN1CC[C@@H](C1)F 2230a_100015203821_100000695917 [0,1,0,1,0,0|2,0,0]=4 9714 B13R1.27 COCCOCCN1CC[C@@H](C1)F 269982a_100015203821_100000695917 [0,1,0,1,0,0|2,0,0]=4 9715 B13R1.27 COCCOCCN1CC[C@@H](C1)F 34a_100015203821_100000695917 [0,1,0,1,0,0|2,0,0]=4 9716 B13R1.27 COCCOCCN1CC[C@H](C1)C 2230a_100016987628_100000695917 [0,1,0,1,0,0|2,0,0]=4 9717 B13R1.27 COCCOCCN1CC[C@H](C1)C 269982a_100016987628_100000695917 [0,1,0,1,0,0|2,0,0]=4 9718 B13R1.27 COCCOCCN1CC[C@H](C1)C 34a_100016987628_100000695917 [0,1,0,1,0,0|2,0,0]=4 9719 B13R1.44 CCCCN(C)CC1COCCO1 2230a_100011398995_100000210211 [0,1,0,1,0,0|2,0,0]=4 9720 B13R1.44 CCCCN(C)CC1COCCO1 269982a_100011398995_100000210211 [0,1,0,1,0,0|2,0,0]=4 9721 B13R1.44 CCCCN(C)CC1COCCO1 34a_100011398995_100000210210 [0,1,0,1,0,0|2,0,0]=4 9722 B13R1.44 COCCC(=O)CC1CCCCO1 1458a_100000238585_100000233755 [0,1,0,1,0,0|2,0,0]=4 9723 B13R1.44 COCCC(=O)CC1CCCCO1 1458a_100000749529_100000211543 [0,1,0,1,0,0|2,0,0]=4 9724 B13R1.44 COCCC(=O)CC1CCCOC1 1458a_100000741523_100000233755 [0,1,0,1,0,0|2,0,0]=4 9725 B13R1.44 COCCC(=O)CC1CCCOC1 1458a_100000749529_100000741521 [0,1,0,1,0,0|2,0,0]=4 9726 B13R1.44 COCCN(C)CC1CCCCO1 2230a_100000225654_100011201679 [0,1,0,1,0,0|2,0,0]=4 9727 B13R1.44 COCCN(C)CC1CCCCO1 2230a_100000743101_100000211543 [0,1,0,1,0,0|2,0,0]=4 9728 B13R1.44 COCCN(C)CC1CCCCO1 269982a_100000225654_100000233755 [0,1,0,1,0,0|2,0,0]=4 9729 B13R1.44 COCCN(C)CC1CCCCO1 269982a_100000743101_100000211543 [0,1,0,1,0,0|2,0,0]=4 9730 B13R1.44 COCCN(C)CC1CCCCO1 34a_100000225654_100011201679 [0,1,0,1,0,0|2,0,0]=4 9731 B13R1.44 COCCN(C)CC1CCCOC1 2230a_100000743101_100000741521 [0,1,0,1,0,0|2,0,0]=4 9732 B13R1.44 COCCN(C)CC1CCCOC1 269982a_100000743101_100000741521 [0,1,0,1,0,0|2,0,0]=4 9733 B13R1.44 COCCN(C)CC1COCCO1 2230a_100011398995_100011201679 [0,1,0,1,0,0|1,0,0]=3 9734 B13R1.44 COCCN(C)CC1COCCO1 269982a_100011398995_100000233755 [0,1,0,1,0,0|1,0,0]=3 9735 B13R1.44 COCCN(C)CC1COCCO1 34a_100011398995_100011201679 [0,1,0,1,0,0|1,0,0]=3 9736 B13R1.44 CSCCN(C)CC1COCCO1 2230a_100011398995_100000751147 [0,1,0,1,0,0|1,1,0]=4 9737 B13R1.44 CSCCN(C)CC1COCCO1 269982a_100011398995_100000212216 [0,1,0,1,0,0|1,1,0]=4 9738 B13R1.44 CSCCN(C)CC1COCCO1 34a_100011398995_100000212216 [0,1,0,1,0,0|1,1,0]=4 9739 B13R1.656 COCCOC1CC(CCC1C)C 34a_100011217446_100011201679 [0,1,0,1,0,0|2,0,0]=4 9740 B13R1.656 COCCOC1CC(CCC1C)C 7a_100011217446_100000233755 [0,1,0,1,0,0|2,0,0]=4 9741 B13R1.2436 COCCOCNC1(CCOC1)C 2230a_100000693475_100000231047 [0,1,0,1,0,0|2,0,0]=4 9742 B13R1.2439 CCC1CN(C1)CCOCCOC 2230a_100015205115_100000695917 [0,1,0,1,0,0|2,0,0]=4 9743 B13R1.2439 CCC1CN(C1)CCOCCOC 269982a_100015205115_100000695917 [0,1,0,1,0,0|2,0,0]=4 9744 B13R1.2439 CCCCOCCN1CC(C1)OC 269982a_100000755009_100000743108 [0,1,0,1,0,0|2,0,0]=4 9745 B13R1.2439 COCCOCCN1CC(C1)OC 269982a_100000755009_100000695917 [0,1,0,1,0,0|1,0,0]=3 9746 B13R1.2439 COCCOCCN1CC(C1)SC 269982a_100016990038_100000695917 [0,1,0,1,0,0|1,1,0]=4 9747 B13R1.2439 COCCOCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000231047 [0,1,0,1,0,0|2,0,0]=4 9748 B13R1.3572 CCCCOCCC(=O)C1COC1 1458a_100000758290_100000743108 [0,1,0,1,0,0|2,0,0]=4 9749 B13R1.3572 CCCCOCCN(C)C1COC1 2230a_100102693430_100000743108 [0,1,0,1,0,0|2,0,0]=4 9750 B13R1.3572 CCCCOCCN(C)C1COC1 269982a_100102693430_100000743108 [0,1,0,1,0,0|2,0,0]=4 9751 B13R1.3572 COCCCCCC(=O)C1COC1 1458a_100011935119_100000687716 [0,1,0,1,0,0|2,0,0]=4 9752 B13R1.3572 COCCOCCC(=O)C1CCC1 1458a_100000209988_100000695917 [0,1,0,1,0,0|2,0,0]=4 9753 B13R1.3572 COCCOCCC(=O)C1CCC1 1458a_100000745395_100000749161 [0,1,0,1,0,0|2,0,0]=4 9754 B13R1.3572 COCCOCCC(=O)C1COC1 1458a_100000745395_100000687716 [0,1,0,1,0,0|1,0,0]=3 9755 B13R1.3572 COCCOCCC(=O)C1COC1 1458a_100000758290_100000695917 [0,1,0,1,0,0|1,0,0]=3 9756 B13R1.3572 COCCOCCN(C)C1CCC1 2230a_100000758072_100000695917 [0,1,0,1,0,0|2,0,0]=4 9757 B13R1.3572 COCCOCCN(C)C1CCC1 269982a_100000758072_100000695917 [0,1,0,1,0,0|2,0,0]=4 9758 B13R1.3572 COCCOCCN(C)C1CCC1 34a_100000758072_100000695917 [0,1,0,1,0,0|2,0,0]=4 9759 B13R1.3572 COCCOCCN(C)C1COC1 2230a_100102693430_100000695917 [0,1,0,1,0,0|1,0,0]=3 9760 B13R1.3572 COCCOCCN(C)C1COC1 269982a_100102693430_100000695917 [0,1,0,1,0,0|1,0,0]=3 9761 B13R1.3574 COCCCCCC(=O)CC1CO1 1458a_100011935119_100011216344 [0,1,0,1,0,0|2,0,0]=4 9762 B13R1.3574 COCCCCCC(=O)C[C@@H]1CO1 1458a_100011935119_100000745022 [0,1,0,1,0,0|2,0,0]=4 9763 B13R1.3574 COCCOCCC(=O)CC1CC1 1458a_100000738066_100000695917 [0,1,0,1,0,0|2,0,0]=4 9764 B13R1.3574 COCCOCCC(=O)CC1CC1 1458a_100000745395_100000742324 [0,1,0,1,0,0|2,0,0]=4 9765 B13R1.3574 COCCOCCC(=O)CC1CO1 1458a_100000745395_100011216344 [0,1,0,1,0,0|1,0,0]=3 9766 B13R1.3574 COCCOCCC(=O)CC1CS1 1458a_100000745395_100000031435 [0,1,0,1,0,0|1,1,0]=4 9767 B13R1.3574 COCCOCCC(=O)C[C@@H]1CO1 1458a_100000745395_100000745022 [0,1,0,1,0,0|1,0,0]=3 9768 B13R1.3574 COCCOCCN(C)CC1CC1 2230a_100000741881_100000695917 [0,1,0,1,0,0|2,0,0]=4 9769 B13R1.3574 COCCOCCN(C)CC1CC1 269982a_100000741881_100000695917 [0,1,0,1,0,0|2,0,0]=4 9770 B13R1.6366 COCCOCCC(=O)C1CC1C 1458a_100000211227_100000695917 [0,1,0,1,0,0|2,0,0]=4 9771 B13R1.337 C=C(C)CCNC[C@H]1COCCO1 2230a_100010981119_100000730704 [0,1,0,1,0,0|2,0,0]=4 9772 B13R1.337 C=C(C)CCNC[C@H]1COCCO1 34a_100010981119_100000730704 [0,1,0,1,0,0|2,0,0]=4 9773 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000211370_100000730704 [0,1,0,1,0,0|2,0,0]=4 9774 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000764851_100000211543 [0,1,0,1,0,0|2,0,0]=4 9775 B13R1.337 C=C(C)CCOCC1CCCCO1 7a_100000211370_100000730704 [0,1,0,1,0,0|2,0,0]=4 9776 B13R1.337 C=C(C)CCOCC1CCCOC1 34a_100000741520_100000730704 [0,1,0,1,0,0|2,0,0]=4 9777 B13R1.337 C=C(C)CCOCC1CCCOC1 34a_100000764851_100000741521 [0,1,0,1,0,0|2,0,0]=4 9778 B13R1.337 C=C(C)CCOC[C@@H]1CNCCO1 34a_100015189573_100000730704 [0,1,0,1,0,0|2,0,0]=4 9779 B13R1.337 C=C(C)CCOC[C@@H]1COCCN1 34a_100000717676_100000730704 [0,1,0,1,0,0|2,0,0]=4 9780 B13R1.337 C=C(C)CCOC[C@H]1COCCO1 34a_100009875890_100000730704 [0,1,0,1,0,0|1,0,0]=3 9781 B13R1.337 CC(=CCOC[C@H]1COCCO1)C 34a_100009875890_100000761012 [0,1,0,1,0,0|1,0,1]=4 9782 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 9783 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,1,0,1,0,0|2,0,0]=4 9784 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 9785 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 9786 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 9787 B13R1.337 CC(=O)OCOC[C@H]1COCCO1 34a_100009875890_100009813279 [0,1,0,1,0,0|2,0,0]=4 9788 B13R1.337 CC(Br)CCOCC1CCCCO1 34a_100009893172_100000211543 [0,1,0,1,0,0|2,0,0]=4 9789 B13R1.337 CC(Br)CCOCC1CCCOC1 34a_100009893172_100000741521 [0,1,0,1,0,0|2,0,0]=4 9790 B13R1.337 CC(C)CCNC[C@H]1COCCO1 2230a_100010981119_100000210312 [0,1,0,1,0,0|2,0,0]=4 9791 B13R1.337 CC(C)CCNC[C@H]1COCCO1 269862a_100010981119_100000185833 [0,1,0,1,0,0|2,0,0]=4 9792 B13R1.337 CC(C)CCNC[C@H]1COCCO1 34a_100010981119_100000210312 [0,1,0,1,0,0|2,0,0]=4 9793 B13R1.337 CC(C)CCOCC1CCCCO1 34a_100000210254_100000211543 [0,1,0,1,0,0|2,0,0]=4 9794 B13R1.337 CC(C)CCOCC1CCCCO1 34a_100000211370_100000210312 [0,1,0,1,0,0|2,0,0]=4 9795 B13R1.337 CC(C)CCOCC1CCCCO1 7a_100000210254_100000211543 [0,1,0,1,0,0|2,0,0]=4 9796 B13R1.337 CC(C)CCOCC1CCCCO1 7a_100000211370_100000210626 [0,1,0,1,0,0|2,0,0]=4 9797 B13R1.337 CC(C)CCOCC1CCCOC1 34a_100000210254_100000741521 [0,1,0,1,0,0|2,0,0]=4 9798 B13R1.337 CC(C)CCOCC1CCCOC1 34a_100000741520_100000210312 [0,1,0,1,0,0|2,0,0]=4 9799 B13R1.337 CC(C)CCOCC1CCCOC1 7a_100000210254_100000741521 [0,1,0,1,0,0|2,0,0]=4 9800 B13R1.337 CC(C)CCOC[C@@H]1CNCCO1 34a_100015189573_100000210312 [0,1,0,1,0,0|2,0,0]=4 9801 B13R1.337 CC(C)CCOC[C@@H]1COCCN1 34a_100000717676_100000210312 [0,1,0,1,0,0|2,0,0]=4 9802 B13R1.337 CC(C)CCOC[C@H]1COCCO1 34a_100009875890_100000210312 [0,1,0,1,0,0|1,0,0]=3 9803 B13R1.337 CC(C)OCOC[C@H]1COCCO1 34a_100009875890_100000709892 [0,1,0,1,0,0|2,0,0]=4 9804 B13R1.337 CC(O)CCNC[C@H]1COCCO1 2230a_100010981119_100012276601 [0,1,0,1,0,0|2,0,0]=4 9805 B13R1.337 CC(O)CCNC[C@H]1COCCO1 34a_100010981119_100012276601 [0,1,0,1,0,0|2,0,0]=4 9806 B13R1.337 CC(O)CCOCC1CCCCO1 34a_100000211370_100012276601 [0,1,0,1,0,0|2,0,0]=4 9807 B13R1.337 CC(O)CCOCC1CCCCO1 7a_100000211370_100012276601 [0,1,0,1,0,0|2,0,0]=4 9808 B13R1.337 CC(O)CCOCC1CCCOC1 34a_100000741520_100012276601 [0,1,0,1,0,0|2,0,0]=4 9809 B13R1.337 CC(O)CCOC[C@@H]1CNCCO1 34a_100015189573_100012276601 [0,1,0,1,0,0|2,0,0]=4 9810 B13R1.337 CC(O)CCOC[C@@H]1COCCN1 34a_100000717676_100012276601 [0,1,0,1,0,0|2,0,0]=4 9811 B13R1.337 CC(O)CCOC[C@H]1COCCO1 34a_100009875890_100012276601 [0,1,0,1,0,0|1,0,0]=3 9812 B13R1.337 CN(C)CCOCC1CCCCO1 7a_100000211370_100000755713 [0,1,0,1,0,0|2,0,0]=4 9813 B13R1.337 C[C@@H](N)CCOCC1CCCCO1 34a_100000706166_100000211543 [0,1,0,1,0,0|2,0,0]=4 9814 B13R1.337 C[C@@H](N)CCOCC1CCCOC1 34a_100000706166_100000741521 [0,1,0,1,0,0|2,0,0]=4 9815 B13R1.337 NC(=O)CCOC[C@H]1COCCO1 34a_100009875890_100000731001 [0,1,0,1,0,0|2,0,0]=4 9816 B13R1.343 C=C(C)CCOCCC1CCOC1 34a_100011879284_100000730704 [0,1,0,1,0,0|2,0,0]=4 9817 B13R1.343 CC(C)CCOCCC1CCOC1 34a_100011879284_100000210312 [0,1,0,1,0,0|2,0,0]=4 9818 B13R1.343 CC(O)CCOCCC1CCOC1 34a_100011879284_100012276601 [0,1,0,1,0,0|2,0,0]=4 9819 B13R1.572 COCCN1CCOC[C@@H]1C(C)C 2230a_100025712635_100011201679 [0,1,0,1,0,0|2,0,0]=4 9820 B13R1.572 COCCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000233755 [0,1,0,1,0,0|2,0,0]=4 9821 B13R1.572 COCCN1CCOC[C@@H]1C(C)C 34a_100025712635_100011201679 [0,1,0,1,0,0|2,0,0]=4 9822 B13R1.586 CC(C)CCCCCOC1COC1 34a_100011995859_100009818527 [0,1,0,1,0,0|2,0,0]=4 9823 B13R1.586 CC(C)CCCCCOC1COC1 7a_100011995859_100009818527 [0,1,0,1,0,0|2,0,0]=4 9824 B13R1.1052 CC(C)CCCCCOCC1CO1 34a_100011995859_102125554688 [0,1,0,1,0,0|2,0,0]=4 9825 B13R1.1052 CC(C)CCCCCOCC1CO1 7a_100011995859_102125554688 [0,1,0,1,0,0|2,0,0]=4 9826 B13R1.1052 CC(C)CCCCCOC[C@@H]1CO1 34a_100000757423_100000210682 [0,1,0,1,0,0|2,0,0]=4 9827 B13R1.1052 CC(C)CCCCCOC[C@@H]1CO1 7a_100011995859_100000745022 [0,1,0,1,0,0|2,0,0]=4 9828 B13R1.9 COCCOCC1CCC(CC1)C 34a_100000701341_100011201679 [0,1,0,1,0,0|2,0,0]=4 9829 B13R1.9 COCCOC[C@@H]1CN[C@H](CN1)C 34a_100160570299_100011201679 [0,1,0,1,0,0|2,0,0]=4 9830 B13R1.9 COCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100011201679 [0,1,0,1,0,0|2,0,0]=4 9831 B13R1.16 COCCOC1CCCC(C1C)C 34a_100011217532_100011201679 [0,1,0,1,0,0|2,0,0]=4 9832 B13R1.16 COCCOC1CCCC(C1C)C 7a_100011217532_100000233755 [0,1,0,1,0,0|2,0,0]=4 9833 B13R1.528 COC(C)COC1COCCC1=O 34a_100000690652_100012180262 [0,1,0,1,0,0|2,0,0]=4 9834 B13R1.536 CCC(C)COCCC1CCOC1 34a_100011879284_100000748023 [0,1,0,1,0,0|2,0,0]=4 9835 B13R1.536 CCC(O)COCCC1CCOC1 34a_100011879284_100011218378 [0,1,0,1,0,0|2,0,0]=4 9836 B13R1.536 CC[C@H](C)COCCC1CCOC1 34a_100011879284_100009816398 [0,1,0,1,0,0|2,0,0]=4 9837 B13R1.536 COC(=O)COCCC1CCOC1 34a_100011879284_100000747449 [0,1,0,1,0,0|1,0,1]=4 9838 B13R1.536 COC(C)COCCC1CCCC1 34a_100000690652_100000760354 [0,1,0,1,0,0|2,0,0]=4 9839 B13R1.539 COC(=O)CCCCOC1COC1 34a_100000059025_100009818527 [0,1,0,1,0,0|1,0,1]=4 9840 B13R1.539 COC(=O)CCCCOC1COC1 7a_100000059025_100009818527 [0,1,0,1,0,0|1,0,1]=4 9841 B13R1.539 COC(=O)COCCNC1COC1 2230a_100016991112_100000090808 [0,1,0,1,0,0|1,0,1]=4 9842 B13R1.539 COC(=O)COCCOC1CCC1 34a_100000748187_100000090808 [0,1,0,1,0,0|1,0,1]=4 9843 B13R1.539 COC(=O)COCCOC1CSC1 7a_100000072292_100000090808 [0,1,0,1,0,0|0,1,1]=4 9844 B13R1.539 COC(=O)COCCSC1COC1 62a_100000090808_100009818527 [0,1,0,1,0,0|0,1,1]=4 9845 B13R1.594 COC(=O)CCCCOCC1CO1 34a_100000059025_102125554688 [0,1,0,1,0,0|1,0,1]=4 9846 B13R1.594 COC(=O)CCCCOCC1CO1 7a_100000059025_102125554688 [0,1,0,1,0,0|1,0,1]=4 9847 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000204269 [0,1,0,1,0,0|1,0,1]=4 9848 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 7a_100000059025_100000745022 [0,1,0,1,0,0|1,0,1]=4 9849 B13R1.594 COC(=O)COCCOCC1CC1 34a_100000211283_100000090808 [0,1,0,1,0,0|1,0,1]=4 9850 B13R1.594 COC(=O)COCCOC[C@@H]1CO1 34a_100000757423_100000090808 [0,1,0,1,0,0|0,0,1]=3 9851 B13R1.594 COC(=O)COCCSCC1CO1 62a_100000090808_102125554688 [0,1,0,1,0,0|0,1,1]=4 9852 B13R1.594 COC(=O)COCCSCC1CO1 62a_102125554688_100000090808 [0,1,0,1,0,0|0,1,1]=4 9853 B13R1.594 COC(=O)COCCSC[C@@H]1CO1 62a_100000090808_100000745022 [0,1,0,1,0,0|0,1,1]=4 9854 B13R1.594 COC(=O)COCCSC[C@@H]1CO1 62a_100000745022_100000090808 [0,1,0,1,0,0|0,1,1]=4 9855 B13R1.718 C=CC(O)COC[C@H]1COCCO1 34a_100009875890_100000730141 [0,1,0,1,0,0|1,0,1]=4 9856 B13R1.718 CCC(C)CNC[C@H]1COCCO1 2230a_100010981119_100000748023 [0,1,0,1,0,0|2,0,0]=4 9857 B13R1.718 CCC(C)CNC[C@H]1COCCO1 270004a_100010981119_100000243153 [0,1,0,1,0,0|2,0,0]=4 9858 B13R1.718 CCC(C)CNC[C@H]1COCCO1 34a_100010981119_100000748023 [0,1,0,1,0,0|2,0,0]=4 9859 B13R1.718 CCC(C)COCC1CCCCO1 34a_100000211370_100000748023 [0,1,0,1,0,0|2,0,0]=4 9860 B13R1.718 CCC(C)COCC1CCCCO1 7a_100000211370_100000748023 [0,1,0,1,0,0|2,0,0]=4 9861 B13R1.718 CCC(C)COCC1CCCOC1 34a_100000741520_100000748023 [0,1,0,1,0,0|2,0,0]=4 9862 B13R1.718 CCC(C)COC[C@@H]1CNCCO1 34a_100015189573_100000748023 [0,1,0,1,0,0|2,0,0]=4 9863 B13R1.718 CCC(C)COC[C@@H]1COCCN1 34a_100000717676_100000748023 [0,1,0,1,0,0|2,0,0]=4 9864 B13R1.718 CCC(C)COC[C@H]1COCCO1 34a_100009875890_100000748023 [0,1,0,1,0,0|1,0,0]=3 9865 B13R1.718 CCC(O)CNC[C@H]1COCCO1 2230a_100010981119_100011218378 [0,1,0,1,0,0|2,0,0]=4 9866 B13R1.718 CCC(O)CNC[C@H]1COCCO1 34a_100010981119_100011218378 [0,1,0,1,0,0|2,0,0]=4 9867 B13R1.718 CCC(O)COCC1CCCCO1 34a_100000211370_100011218378 [0,1,0,1,0,0|2,0,0]=4 9868 B13R1.718 CCC(O)COCC1CCCCO1 7a_100000211370_100011218378 [0,1,0,1,0,0|2,0,0]=4 9869 B13R1.718 CCC(O)COCC1CCCOC1 34a_100000741520_100011218378 [0,1,0,1,0,0|2,0,0]=4 9870 B13R1.718 CCC(O)COC[C@@H]1CNCCO1 34a_100015189573_100011218378 [0,1,0,1,0,0|2,0,0]=4 9871 B13R1.718 CCC(O)COC[C@@H]1COCCN1 34a_100000717676_100011218378 [0,1,0,1,0,0|2,0,0]=4 9872 B13R1.718 CCC(O)COC[C@H]1COCCO1 34a_100009875890_100011218378 [0,1,0,1,0,0|1,0,0]=3 9873 B13R1.718 CC[C@H](C)CNC[C@H]1COCCO1 2230a_100010981119_100009816398 [0,1,0,1,0,0|2,0,0]=4 9874 B13R1.718 CC[C@H](C)CNC[C@H]1COCCO1 34a_100010981119_100009816398 [0,1,0,1,0,0|2,0,0]=4 9875 B13R1.718 CC[C@H](C)COCC1CCCCO1 34a_100000211370_100009816398 [0,1,0,1,0,0|2,0,0]=4 9876 B13R1.718 CC[C@H](C)COCC1CCCCO1 7a_100000211370_100009816398 [0,1,0,1,0,0|2,0,0]=4 9877 B13R1.718 CC[C@H](C)COCC1CCCCO1 7a_100009816381_100000211543 [0,1,0,1,0,0|2,0,0]=4 9878 B13R1.718 CC[C@H](C)COCC1CCCOC1 34a_100000741520_100009816398 [0,1,0,1,0,0|2,0,0]=4 9879 B13R1.718 CC[C@H](C)COCC1CCCOC1 7a_100009816381_100000741521 [0,1,0,1,0,0|2,0,0]=4 9880 B13R1.718 CC[C@H](C)COC[C@@H]1CNCCO1 34a_100015189573_100009816398 [0,1,0,1,0,0|2,0,0]=4 9881 B13R1.718 CC[C@H](C)COC[C@@H]1COCCN1 34a_100000717676_100009816398 [0,1,0,1,0,0|2,0,0]=4 9882 B13R1.718 CC[C@H](C)COC[C@H]1COCCO1 34a_100009875890_100009816398 [0,1,0,1,0,0|1,0,0]=3 9883 B13R1.718 CNC(=O)COC[C@H]1COCCO1 34a_100009875890_100000183359 [0,1,0,1,0,0|1,0,1]=4 9884 B13R1.718 COC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000747449 [0,1,0,1,0,0|1,0,1]=4 9885 B13R1.718 COC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000747449 [0,1,0,1,0,0|1,0,1]=4 9886 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [0,1,0,1,0,0|1,0,1]=4 9887 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [0,1,0,1,0,0|1,0,1]=4 9888 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [0,1,0,1,0,0|1,0,1]=4 9889 B13R1.718 COC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000747449 [0,1,0,1,0,0|1,0,1]=4 9890 B13R1.718 COC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000747449 [0,1,0,1,0,0|1,0,1]=4 9891 B13R1.718 COC(=O)COC[C@H]1COCCO1 34a_100009875890_100000747449 [0,1,0,1,0,0|0,0,1]=3 9892 B13R1.718 COC(C)COCC1CCCCC1 34a_100000690652_100000211423 [0,1,0,1,0,0|2,0,0]=4 9893 B13R1.718 COC(C)COCC1CCCCO1 34a_100000690652_100000211543 [0,1,0,1,0,0|1,0,0]=3 9894 B13R1.718 COC(C)COCC1CCCOC1 34a_100000690652_100000741521 [0,1,0,1,0,0|1,0,0]=3 9895 B13R1.718 CO[C@H](C)CNCC1CCCCO1 2230a_100020591295_100000211543 [0,1,0,1,0,0|2,0,0]=4 9896 B13R1.718 CO[C@H](C)CNCC1CCCOC1 2230a_100020591295_100000741521 [0,1,0,1,0,0|2,0,0]=4 9897 B13R1.718 C[C@@H](CO)COC[C@H]1COCCO1 34a_100009875890_100000059175 [0,1,0,1,0,0|2,0,0]=4 9898 B13R1.718 OCC(O)COC[C@H]1COCCO1 34a_100009875890_100011219619 [0,1,0,1,0,0|2,0,0]=4 9899 B13R1.718 OC[C@H](O)COC[C@H]1COCCO1 34a_100009875890_100009815848 [0,1,0,1,0,0|2,0,0]=4 9900 B13R1.718 O[C@@H](CF)COC[C@H]1COCCO1 34a_100009875890_100015614560 [0,1,0,1,0,0|2,0,0]=4 9901 B13R1.1711 COC(C)COC1CCCCCC1 34a_100000690652_100011217769 [0,1,0,1,0,0|2,0,0]=4 9902 B13R1.2437 COCCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000695917 [0,1,0,1,0,0|2,0,0]=4 9903 B13R1.2437 COCCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000695917 [0,1,0,1,0,0|2,0,0]=4 9904 B13R1.2938 CCCCCCCOCC1(CO1)C 34a_100000210272_100000760498 [0,1,0,1,0,0|2,0,0]=4 9905 B13R1.2938 CCCCOCCOCC1(CC1)C 7a_100000698024_100000743108 [0,1,0,1,0,0|2,0,0]=4 9906 B13R1.2938 CCCCOCCOCC1(CC1)F 34a_200000703853_100000743108 [0,1,0,1,0,0|2,0,0]=4 9907 B13R1.2938 CCCCOCCOCC1(CC1)F 7a_200000703853_100000743108 [0,1,0,1,0,0|2,0,0]=4 9908 B13R1.2938 CCCCOCCOCC1(CO1)C 34a_100000210238_100000760498 [0,1,0,1,0,0|1,0,0]=3 9909 B13R1.2938 CCCCOCCSCC1(CO1)C 62a_100000743108_100000760498 [0,1,0,1,0,0|1,1,0]=4 9910 B13R1.2938 CCCCOCCSCC1(CO1)C 62a_100000760498_100000743108 [0,1,0,1,0,0|1,1,0]=4 9911 B13R1.2938 CCCCSCCOCC1(CO1)C 34a_200000230436_100000760498 [0,1,0,1,0,0|1,1,0]=4 9912 B13R1.2938 CNCCCCCOCC1(CO1)C 34a_100000722520_100000760498 [0,1,0,1,0,0|2,0,0]=4 9913 B13R1.2938 CNCCOCCOCC1(CO1)C 34a_100000228057_100000760498 [0,1,0,1,0,0|1,0,0]=3 9914 B13R1.2938 COCCCCCNCC1(CO1)C 34a_100000747528_100000760498 [0,1,0,1,0,0|2,0,0]=4 9915 B13R1.2938 COCCOCCNCC1(CC1)C 2230a_100000766693_100000695917 [0,1,0,1,0,0|2,0,0]=4 9916 B13R1.2938 COCCOCCNCC1(CC1)O 2230a_100011936951_100000695917 [0,1,0,1,0,0|2,0,0]=4 9917 B13R1.2938 COCCOCCNCC1(CO1)C 34a_100000745349_100000760498 [0,1,0,1,0,0|1,0,0]=3 9918 B13R1.2938 COCCOCCOCC1(CC1)C 7a_100000698024_100000695917 [0,1,0,1,0,0|1,0,0]=3 9919 B13R1.2938 COCCOCCOCC1(CC1)F 34a_200000703853_100000695917 [0,1,0,1,0,0|1,0,0]=3 9920 B13R1.2938 COCCOCCOCC1(CC1)F 7a_200000703853_100000695917 [0,1,0,1,0,0|1,0,0]=3 9921 B13R1.2938 COCCOCCOCC1(CO1)C 34a_100011215163_100000760498 [0,1,0,1,0,0|0,0,0]=2 9922 B13R1.2938 COCCOCCSCC1(CO1)C 62a_100000695917_100000760498 [0,1,0,1,0,0|0,1,0]=3 9923 B13R1.2938 COCCOCCSCC1(CO1)C 62a_100000760498_100000695917 [0,1,0,1,0,0|0,1,0]=3 9924 B13R2.1234 COCCOCC1C2C1CNC2 34a_100000045132_100011201679 [0,0,0,2,0,0|2,0,0]=4 9925 B13R2.2382 C1CCC(CC1)COCC2CO2 34a_100000212181_102125554688 [0,0,0,2,0,0|2,0,0]=4 9926 B13R2.2382 C1CCC(CC1)COCC2CO2 7a_100000212181_102125554688 [0,0,0,2,0,0|2,0,0]=4 9927 B13R2.2382 C1CCC(CC1)COC[C@@H]2CO2 34a_100000757423_100000211423 [0,0,0,2,0,0|2,0,0]=4 9928 B13R2.2382 C1CCC(CC1)COC[C@@H]2CO2 7a_100000212181_100000745022 [0,0,0,2,0,0|2,0,0]=4 9929 B13R2.2382 C1CCC(NC1)COCC2CO2 34a_100000210821_102125554688 [0,0,0,2,0,0|2,0,0]=4 9930 B13R2.2382 C1CCC(OC1)CNCC2CO2 2230a_100000174945_100011216344 [0,0,0,2,0,0|2,0,0]=4 9931 B13R2.2382 C1CCC(OC1)CNCC2CO2 34a_100000174945_102125554688 [0,0,0,2,0,0|2,0,0]=4 9932 B13R2.2382 C1CCC(OC1)COCC2CC2 34a_100000211283_100000211543 [0,0,0,2,0,0|2,0,0]=4 9933 B13R2.2382 C1CCC(OC1)COCC2CC2 34a_100000211370_100000742324 [0,0,0,2,0,0|2,0,0]=4 9934 B13R2.2382 C1CCC(OC1)COCC2CC2 7a_100000211370_100000742324 [0,0,0,2,0,0|2,0,0]=4 9935 B13R2.2382 C1CCC(OC1)COCC2CO2 34a_100000211370_102125554688 [0,0,0,2,0,0|1,0,0]=3 9936 B13R2.2382 C1CCC(OC1)COCC2CO2 7a_100000211370_102125554688 [0,0,0,2,0,0|1,0,0]=3 9937 B13R2.2382 C1CCC(OC1)COCC2CS2 7a_100000211370_100000031435 [0,0,0,2,0,0|1,1,0]=4 9938 B13R2.2382 C1CCC(OC1)COC[C@@H]2CO2 34a_100000757423_100000211543 [0,0,0,2,0,0|1,0,0]=3 9939 B13R2.2382 C1CCC(OC1)COC[C@@H]2CO2 7a_100000211370_100000745022 [0,0,0,2,0,0|1,0,0]=3 9940 B13R2.2382 C1CCC(OC1)CSCC2CO2 62a_100000211543_102125554688 [0,0,0,2,0,0|1,1,0]=4 9941 B13R2.2382 C1CCC(OC1)CSCC2CO2 62a_102125554688_100000211543 [0,0,0,2,0,0|1,1,0]=4 9942 B13R2.2382 C1CCC(OC1)CSC[C@@H]2CO2 62a_100000211543_100000745022 [0,0,0,2,0,0|1,1,0]=4 9943 B13R2.2382 C1CCC(OC1)CSC[C@@H]2CO2 62a_100000745022_100000211543 [0,0,0,2,0,0|1,1,0]=4 9944 B13R2.2382 C1CNCC(C1)COCC2CO2 34a_100000211344_102125554688 [0,0,0,2,0,0|2,0,0]=4 9945 B13R2.2382 C1COCC(C1)CNCC2CO2 2230a_100000720124_100011216344 [0,0,0,2,0,0|2,0,0]=4 9946 B13R2.2382 C1COCC(C1)CNCC2CO2 34a_100000720124_102125554688 [0,0,0,2,0,0|2,0,0]=4 9947 B13R2.2382 C1COCC(C1)COCC2CC2 34a_100000211283_100000741521 [0,0,0,2,0,0|2,0,0]=4 9948 B13R2.2382 C1COCC(C1)COCC2CC2 34a_100000741520_100000742324 [0,0,0,2,0,0|2,0,0]=4 9949 B13R2.2382 C1COCC(C1)COCC2CO2 34a_100000741520_102125554688 [0,0,0,2,0,0|1,0,0]=3 9950 B13R2.2382 C1COCC(C1)COC[C@@H]2CO2 34a_100000757423_100000741521 [0,0,0,2,0,0|1,0,0]=3 9951 B13R2.2382 C1COCC(C1)CSCC2CO2 62a_100000741521_102125554688 [0,0,0,2,0,0|1,1,0]=4 9952 B13R2.2382 C1COCC(C1)CSCC2CO2 62a_102125554688_100000741521 [0,0,0,2,0,0|1,1,0]=4 9953 B13R2.2382 C1COCC(C1)CSC[C@@H]2CO2 62a_100000741521_100000745022 [0,0,0,2,0,0|1,1,0]=4 9954 B13R2.2382 C1COCC(C1)CSC[C@@H]2CO2 62a_100000745022_100000741521 [0,0,0,2,0,0|1,1,0]=4 9955 B13R2.2382 C1COC[C@H](N1)COCC2CC2 34a_100000717676_100000742324 [0,0,0,2,0,0|2,0,0]=4 9956 B13R2.2382 C1COC[C@H](N1)COCC2CO2 34a_100000717676_102125554688 [0,0,0,2,0,0|1,0,0]=3 9957 B13R2.2382 C1CO[C@@H](CN1)COCC2CC2 34a_100015189573_100000742324 [0,0,0,2,0,0|2,0,0]=4 9958 B13R2.2382 C1CO[C@@H](CN1)COCC2CO2 34a_100015189573_102125554688 [0,0,0,2,0,0|1,0,0]=3 9959 B13R2.2382 C1CO[C@H](CO1)CNCC2CC2 2230a_100010981119_100000742324 [0,0,0,2,0,0|2,0,0]=4 9960 B13R2.2382 C1CO[C@H](CO1)CNCC2CC2 269862a_100010981119_100000741477 [0,0,0,2,0,0|2,0,0]=4 9961 B13R2.2382 C1CO[C@H](CO1)CNCC2CC2 34a_100010981119_100000742324 [0,0,0,2,0,0|2,0,0]=4 9962 B13R2.2382 C1CO[C@H](CO1)CNCC2CO2 2230a_100010981119_100011216344 [0,0,0,2,0,0|1,0,0]=3 9963 B13R2.2382 C1CO[C@H](CO1)CNCC2CO2 34a_100010981119_102125554688 [0,0,0,2,0,0|1,0,0]=3 9964 B13R2.2382 C1CO[C@H](CO1)COCC2CC2 34a_100009875890_100000742324 [0,0,0,2,0,0|1,0,0]=3 9965 B13R2.2382 C1CO[C@H](CO1)COCC2CO2 34a_100009875890_102125554688 [0,0,0,2,0,0|0,0,0]=2 9966 B13R2.2383 C1CC(C1)NC[C@H]2COCCO2 270004a_100010981119_100000241760 [0,0,0,2,0,0|2,0,0]=4 9967 B13R2.2383 C1CC(C1)NC[C@H]2COCCO2 34a_100010981119_100000749161 [0,0,0,2,0,0|2,0,0]=4 9968 B13R2.2383 C1CC(C1)OC[C@@H]2CNCCO2 34a_100015189573_100000749161 [0,0,0,2,0,0|2,0,0]=4 9969 B13R2.2383 C1CC(C1)OC[C@@H]2COCCN2 34a_100000717676_100000749161 [0,0,0,2,0,0|2,0,0]=4 9970 B13R2.2383 C1CC(C1)OC[C@H]2COCCO2 34a_100009875890_100000749161 [0,0,0,2,0,0|1,0,0]=3 9971 B13R2.2383 C1CCC(CC1)COC2COC2 34a_100000212181_100009818527 [0,0,0,2,0,0|2,0,0]=4 9972 B13R2.2383 C1CCC(CC1)COC2COC2 7a_100000212181_100009818527 [0,0,0,2,0,0|2,0,0]=4 9973 B13R2.2383 C1CCC(NC1)COC2COC2 34a_100000210821_100009818527 [0,0,0,2,0,0|2,0,0]=4 9974 B13R2.2383 C1CCC(OC1)CNC2COC2 2230a_100016991112_100000211543 [0,0,0,2,0,0|2,0,0]=4 9975 B13R2.2383 C1CCC(OC1)CNC2COC2 34a_100000174945_100009818527 [0,0,0,2,0,0|2,0,0]=4 9976 B13R2.2383 C1CCC(OC1)COC2CCC2 34a_100000211370_100000749161 [0,0,0,2,0,0|2,0,0]=4 9977 B13R2.2383 C1CCC(OC1)COC2CCC2 34a_100000748187_100000211543 [0,0,0,2,0,0|2,0,0]=4 9978 B13R2.2383 C1CCC(OC1)COC2COC2 34a_100000211370_100009818527 [0,0,0,2,0,0|1,0,0]=3 9979 B13R2.2383 C1CCC(OC1)COC2COC2 7a_100000211370_100009818527 [0,0,0,2,0,0|1,0,0]=3 9980 B13R2.2383 C1CCC(OC1)COC2CSC2 7a_100000072292_100000211543 [0,0,0,2,0,0|1,1,0]=4 9981 B13R2.2383 C1CCC(OC1)CSC2COC2 62a_100000211543_100009818527 [0,0,0,2,0,0|1,1,0]=4 9982 B13R2.2383 C1CNCC(C1)COC2COC2 34a_100000211344_100009818527 [0,0,0,2,0,0|2,0,0]=4 9983 B13R2.2383 C1COCC(C1)CNC2COC2 2230a_100016991112_100000741521 [0,0,0,2,0,0|2,0,0]=4 9984 B13R2.2383 C1COCC(C1)CNC2COC2 34a_100000720124_100009818527 [0,0,0,2,0,0|2,0,0]=4 9985 B13R2.2383 C1COCC(C1)COC2CCC2 34a_100000741520_100000749161 [0,0,0,2,0,0|2,0,0]=4 9986 B13R2.2383 C1COCC(C1)COC2CCC2 34a_100000748187_100000741521 [0,0,0,2,0,0|2,0,0]=4 9987 B13R2.2383 C1COCC(C1)COC2COC2 34a_100000741520_100009818527 [0,0,0,2,0,0|1,0,0]=3 9988 B13R2.2383 C1COCC(C1)COC2CSC2 7a_100000072292_100000741521 [0,0,0,2,0,0|1,1,0]=4 9989 B13R2.2383 C1COCC(C1)CSC2COC2 62a_100000741521_100009818527 [0,0,0,2,0,0|1,1,0]=4 9990 B13R2.2383 C1COC[C@H](N1)COC2COC2 34a_100000717676_100009818527 [0,0,0,2,0,0|1,0,0]=3 9991 B13R2.2383 C1CO[C@@H](CN1)COC2COC2 34a_100015189573_100009818527 [0,0,0,2,0,0|1,0,0]=3 9992 B13R2.2383 C1CO[C@H](CO1)CNC2COC2 34a_100010981119_100009818527 [0,0,0,2,0,0|1,0,0]=3 9993 B13R2.2383 C1CO[C@H](CO1)COC2COC2 34a_100009875890_100009818527 [0,0,0,2,0,0|0,0,0]=2 9994 B13R2.2388 COCCOC1C2CCC1CC2 34a_100000210237_100009813300 [0,0,0,2,0,0|2,0,0]=4 9995 B13R2.2380 C1CC(CN1)CCOCC2CO2 34a_100016987287_102125554688 [0,0,0,2,0,0|2,0,0]=4 9996 B13R2.2380 C1CC(CO1)CCOCC2CC2 34a_100011879284_100000742324 [0,0,0,2,0,0|2,0,0]=4 9997 B13R2.2380 C1CC(CO1)CCOCC2CO2 34a_100011879284_102125554688 [0,0,0,2,0,0|1,0,0]=3 9998 B13R2.2380 C1CCC(C1)CCOCC2CO2 34a_100000749090_102125554688 [0,0,0,2,0,0|2,0,0]=4 9999 B13R2.2380 C1CCC(C1)CCOCC2CO2 7a_100000749090_102125554688 [0,0,0,2,0,0|2,0,0]=4 10000 B13R2.2380 C1CCC(C1)CCOC[C@@H]2CO2 34a_100000757423_100000760354 [0,0,0,2,0,0|2,0,0]=4 10001 B13R2.2380 C1CCC(C1)CCOC[C@@H]2CO2 7a_100000749090_100000745022 [0,0,0,2,0,0|2,0,0]=4 10002 B13R2.2381 C1CC(C1)OCCC2CCOC2 34a_100011879284_100000749161 [0,0,0,2,0,0|2,0,0]=4 10003 B13R2.2381 C1CC(CN1)CCOC2COC2 34a_100016987287_100009818527 [0,0,0,2,0,0|2,0,0]=4 10004 B13R2.2381 C1CC(CO1)CCOC2COC2 34a_100011879284_100009818527 [0,0,0,2,0,0|1,0,0]=3 10005 B13R2.2381 C1CCC(C1)CCOC2COC2 34a_100000749090_100009818527 [0,0,0,2,0,0|2,0,0]=4 10006 B13R2.2381 C1CCC(C1)CCOC2COC2 7a_100000749090_100009818527 [0,0,0,2,0,0|2,0,0]=4 10007 B13R2.2520 COCCOC1CC2CCC1C2 34a_100000210237_100000727232 [0,0,0,2,0,0|2,0,0]=4 10008 B13R2.2520 COCCOC1CC2CCC1C2 34a_100000211339_100011201679 [0,0,0,2,0,0|2,0,0]=4 10009 B13R2.489 COCCN1C2CCC1COC2 2230a_100015205251_100011201679 [0,0,0,2,0,0|2,0,0]=4 10010 B13R2.489 COCCN1C2CCC1COC2 269982a_100015205251_100000233755 [0,0,0,2,0,0|2,0,0]=4 10011 B13R2.489 COCCN1C2CCC1COC2 34a_100015205251_100011201679 [0,0,0,2,0,0|2,0,0]=4 10012 B13R2.621 CC[C@H]1COCCN1CC2CO2 2230a_100016988097_100011216344 [0,0,0,2,0,0|2,0,0]=4 10013 B13R2.621 CC[C@H]1COCCN1CC2CO2 269982a_100016988097_102125554688 [0,0,0,2,0,0|2,0,0]=4 10014 B13R2.621 CC[C@H]1COCCN1CC2CO2 34a_100016988097_102125554688 [0,0,0,2,0,0|2,0,0]=4 10015 B13R2.621 CC[C@H]1COCCN1C[C@@H]2CO2 269982a_100016988097_100000745022 [0,0,0,2,0,0|2,0,0]=4 10016 B13R2.2528 CC[C@H]1COCCN1C2COC2 269982a_100016988097_100000687716 [0,0,0,2,0,0|2,0,0]=4 10017 B13R2.2528 CC[C@H]1COCCN1C2COC2 34a_100016988097_100009818527 [0,0,0,2,0,0|2,0,0]=4 10018 B13R2.3587 CC1CCCCC1OCC2CO2 34a_100000211207_102125554688 [0,0,0,2,0,0|2,0,0]=4 10019 B13R2.3587 CC1CCCCC1OCC2CO2 7a_100000211207_102125554688 [0,0,0,2,0,0|2,0,0]=4 10020 B13R2.3587 CC1CCCCC1OC[C@@H]2CO2 7a_100000211207_100000745022 [0,0,0,2,0,0|2,0,0]=4 10021 B13R2.3587 CC1CCNCC1OCC2CO2 34a_100000696640_102125554688 [0,0,0,2,0,0|2,0,0]=4 10022 B13R2.3587 N[C@@H]1CCOC[C@@H]1OCC2CO2 34a_100016994285_102125554688 [0,0,0,2,0,0|2,0,0]=4 10023 B13R2.3587 O=C1CCOCC1OC[C@@H]2CO2 34a_100000757423_100012180262 [0,0,0,2,0,0|2,0,0]=4 10024 B13R2.5225 CC1CCCCC1OC2COC2 34a_100000211207_100009818527 [0,0,0,2,0,0|2,0,0]=4 10025 B13R2.5225 CC1CCCCC1OC2COC2 7a_100000211207_100009818527 [0,0,0,2,0,0|2,0,0]=4 10026 B13R2.5225 CC1CCNCC1OC2COC2 34a_100000696640_100009818527 [0,0,0,2,0,0|2,0,0]=4 10027 B13R2.5225 N[C@@H]1CCOC[C@@H]1OC2COC2 34a_100016994285_100009818527 [0,0,0,2,0,0|2,0,0]=4 10028 B13R2.775 COC[C@@H]1CCCN1C2COC2 269982a_100020646714_100000687716 [0,0,0,2,0,0|2,0,0]=4 10029 B13R2.775 COC[C@@H]1CCCN1C2COC2 34a_100020646714_100009818527 [0,0,0,2,0,0|2,0,0]=4 10030 B13R2.3152 CN1CCCC1COC2COC2 34a_100000743107_100009818527 [0,0,0,2,0,0|2,0,0]=4 10031 B13R2.6840 C1CCCC(CC1)OC2COC2 34a_100000210887_100009818527 [0,0,0,2,0,0|2,0,0]=4 10032 B13R2.6840 C1CCCC(CC1)OC2COC2 7a_100000210887_100009818527 [0,0,0,2,0,0|2,0,0]=4 10033 B13R2.281 COC[C@@H]1CCCN1CC2CO2 2230a_100020646714_100011216344 [0,0,0,2,0,0|2,0,0]=4 10034 B13R2.281 COC[C@@H]1CCCN1CC2CO2 269982a_100020646714_102125554688 [0,0,0,2,0,0|2,0,0]=4 10035 B13R2.281 COC[C@@H]1CCCN1CC2CO2 34a_100020646714_102125554688 [0,0,0,2,0,0|2,0,0]=4 10036 B13R2.281 COC[C@@H]1CCCN1C[C@@H]2CO2 269982a_100020646714_100000745022 [0,0,0,2,0,0|2,0,0]=4 10037 B13R2.3140 CN1CCCC1COCC2CO2 34a_100000743107_102125554688 [0,0,0,2,0,0|2,0,0]=4 10038 B13R2.6841 C1CCCC(CC1)OCC2CO2 34a_100000210887_102125554688 [0,0,0,2,0,0|2,0,0]=4 10039 B13R2.6841 C1CCCC(CC1)OCC2CO2 7a_100000210887_102125554688 [0,0,0,2,0,0|2,0,0]=4 10040 B13R2.6841 C1CCCC(CC1)OC[C@@H]2CO2 34a_100000757423_100011217769 [0,0,0,2,0,0|2,0,0]=4 10041 B13R2.6841 C1CCCC(CC1)OC[C@@H]2CO2 7a_100000210887_100000745022 [0,0,0,2,0,0|2,0,0]=4