0 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,0,0,0,0,0|1,0,3]=4 14 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,0,0,0,0,0|1,0,2]=3 32 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,0,0,0,0,0|1,0,2]=3 33 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,0,0,0,0,0|1,0,3]=4 47 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,0,0,0,0,0|1,0,3]=4 48 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,0,0,0,0|1,0,3]=4 49 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,0,0,0,0|1,0,3]=4 50 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [0,0,0,0,0,0|1,0,3]=4 51 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [0,0,0,0,0,0|1,0,3]=4 52 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [0,0,0,0,0,0|1,0,3]=4 53 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [0,0,0,0,0,0|1,0,3]=4 54 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [0,0,0,0,0,0|1,0,3]=4 55 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,0,0,0,0,0|1,0,3]=4 56 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,0,0,0,0,0|1,0,3]=4 57 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,0,0,0,0,0|2,0,0]=2 61 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,0,0,0,0,0|2,0,0]=2 67 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,0,0,0,0,0|2,0,0]=2 68 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,0,0,0,0,0|2,0,0]=2 69 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [0,0,0,0,0,0|2,0,0]=2 73 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,0,0,0,0,0|2,0,0]=2 74 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,0,0,0,0,0|2,0,0]=2 75 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [0,0,0,0,0,0|2,0,0]=2 76 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [0,0,0,0,0,0|2,0,0]=2 77 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,0,0,0,0,0|2,0,2]=4 80 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,0,0,0,0,0|2,0,2]=4 81 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [0,0,0,0,0,0|2,0,2]=4 82 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,0,0,0,0,0|1,0,2]=3 83 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,0,0,0,0,0|1,0,2]=3 84 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,0,0,0,0,0|2,0,2]=4 87 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,0,0,0,0,0|2,0,2]=4 88 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,0,0,0,0,0|2,0,2]=4 89 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,0,0,0,0,0|2,0,2]=4 90 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,0,0,0,0,0|2,0,2]=4 91 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,0,0,0,0,0|1,0,2]=3 92 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,0,0,0,0,0|1,0,2]=3 93 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,0,0,0,0,0|2,0,2]=4 97 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [0,0,0,0,0,0|2,0,2]=4 99 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [0,0,0,0,0,0|2,0,2]=4 100 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [0,0,0,0,0,0|2,0,2]=4 101 B7R0.1 CCC#CCOCF 34a_100000032950_100015361967 [0,0,0,0,0,0|2,0,2]=4 102 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [0,0,0,0,0,0|2,0,2]=4 104 B7R0.1 CCC#CCSCF 62a_100009813939_100015361967 [0,0,0,0,0,0|2,0,2]=4 105 B7R0.1 CCC#CCSCF 62a_100015361967_100009813939 [0,0,0,0,0,0|2,0,2]=4 106 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,0,0,0,0,0|2,0,2]=4 107 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,0,0,0,0,0|2,0,2]=4 108 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,0,0,0,0,0|2,0,2]=4 109 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,0,0,0,0,0|2,0,2]=4 110 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,0,0,0,0,0|2,0,0]=2 112 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,0,0,0,0,0|2,0,2]=4 114 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,0,0,0,0,0|2,0,2]=4 115 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,0,0,0,0,0|2,0,2]=4 116 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,0,0,0,0,0|2,0,2]=4 118 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,0,0,0,0,0|2,0,2]=4 119 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,0,0,0,0,0|2,0,2]=4 120 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,0,0,0,0,0|2,0,2]=4 122 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,0,0,0,0,0|2,0,2]=4 123 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,0,0,0,0,0|2,0,2]=4 124 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,0,0,0,0,0|2,0,2]=4 125 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,0,0,0,0,0|2,0,2]=4 126 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,0,0,0,0,0|2,0,2]=4 127 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,0,0,0,0,0|2,0,1]=3 128 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,0,0,0,0,0|2,0,1]=3 129 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,0,0,0,0,0|2,0,1]=3 130 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,0,0,0,0,0|2,0,1]=3 132 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,0,0,0,0,0|2,0,2]=4 133 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,0,0,0,0,0|2,0,2]=4 134 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,0,0,0,0,0|2,0,1]=3 135 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,0,0,0,0,0|2,0,1]=3 136 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,0,0,0,0,0|2,0,2]=4 137 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,0,0,0,0,0|2,0,2]=4 138 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,0,0,0,0,0|2,0,1]=3 139 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,0,0,0,0,0|2,0,1]=3 140 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,0,0,0,0,0|2,0,2]=4 141 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,0,0,0,0,0|2,0,2]=4 142 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,0,0,0,0,0|2,0,2]=4 143 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,0,0,0,0,0|1,0,2]=3 144 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,0,0,0,0,0|1,0,2]=3 145 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,0,0,0,0,0|1,0,2]=3 146 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,0,0,0,0,0|1,0,2]=3 147 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,0,0,0,0,0|2,0,2]=4 150 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,0,0,0,0,0|2,0,1]=3 151 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,0,0,0,0,0|2,0,1]=3 152 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,0,0,0,0,0|2,0,1]=3 153 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,0,0,0,0,0|2,0,2]=4 154 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,0,0,0,0,0|2,0,2]=4 155 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,0,0,0,0,0|2,0,2]=4 156 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,0,0,0,0,0|1,0,2]=3 157 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,0,0,0,0,0|1,0,2]=3 158 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,0,0,0,0,0|3,0,1]=4 163 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,0,0,0,0,0|3,0,1]=4 164 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,0,0,0,0,0|2,0,1]=3 168 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,0,0,0,0,0|2,0,2]=4 169 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,0,0,0,0,0|2,0,2]=4 170 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,0,0,0,0,0|1,0,2]=3 171 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,0,0,0,0,0|1,0,2]=3 172 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,0,0,0,0,0|2,0,1]=3 177 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,0,0,0,0,0|2,0,1]=3 178 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,0,0,0,0,0|2,0,1]=3 181 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,0,0,0,0,0|2,0,1]=3 182 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,0,0,0,0,0|2,0,1]=3 183 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,0,0,0,0,0|2,0,1]=3 184 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,0,0,0,0,0|2,0,1]=3 185 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,0,0,0,0,0|1,0,1]=2 186 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,0,0,0,0,0|3,0,1]=4 187 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,0,0,0,0,0|3,0,1]=4 195 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,0,0,0,0,0|3,0,1]=4 197 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,0,0,0,0,0|3,0,1]=4 198 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,0,0,0,0,0|3,0,1]=4 200 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,0,0,0,0,0|3,0,1]=4 201 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,0,0,0,0,0|3,0,1]=4 202 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,0,0,0,0,0|3,0,1]=4 204 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,0,0,0,0,0|3,0,1]=4 205 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,0,0,0,0,0|3,0,1]=4 207 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,0,0,0,0,0|2,0,2]=4 209 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,0,0,0,0,0|2,0,2]=4 210 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,0,0,0,0,0|2,0,1]=3 211 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,0,0,0,0,0|2,0,1]=3 212 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,0,0,0,0,0|1,0,1]=2 213 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,0,0,0,0,0|1,0,1]=2 214 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,0,0,0,0,0|3,0,1]=4 215 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,0,0,0,0,0|3,0,1]=4 217 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,0,0,0,0,0|3,0,1]=4 218 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,0,0,0,0,0|3,0,1]=4 219 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,0,0,0,0,0|3,0,1]=4 220 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,0,0,0,0,0|3,0,1]=4 221 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,0,0,0,0,0|3,0,1]=4 222 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,0,0,0,0,0|3,0,1]=4 223 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [0,0,0,0,0,0|1,0,3]=4 227 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,0,0,0,0,0|2,0,2]=4 228 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,0,0,0,0,0|1,0,3]=4 229 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,0,0,0,0,0|2,0,1]=3 230 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,0,0,0,0,0|1,0,1]=2 231 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,0,0,0,0,0|1,0,1]=2 232 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,0,0,0,0,0|1,0,1]=2 233 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,0,0,0,0,0|3,0,1]=4 234 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,0,0,0,0,0|3,0,1]=4 235 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,0,0,0,0,0|3,0,1]=4 236 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,0,0,0,0,0|3,0,1]=4 237 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,0,0,0,0,0|3,0,1]=4 238 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,0,0,0,0,0|3,0,1]=4 239 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,0,0,0,0,0|3,0,1]=4 240 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,0,0,0,0,0|3,0,1]=4 241 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [0,0,0,0,0,0|1,0,3]=4 242 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,0,0,0,0,0|2,0,1]=3 243 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,0,0,0,0,0|2,0,1]=3 244 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,0,0,0,0,0|2,0,1]=3 245 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,0,0,0,0,0|2,0,1]=3 246 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,0,0,0,0,0|2,0,1]=3 247 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,0,0,0,0,0|2,0,1]=3 248 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,0,0,0,0,0|2,0,1]=3 249 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,0,0,0,0,0|2,0,1]=3 250 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,0,0,0,0,0|1,0,1]=2 251 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,0,0,0,0,0|3,0,1]=4 252 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,0,0,0,0,0|3,0,1]=4 253 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,0,0,0,0,0|3,0,1]=4 254 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,0,0,0,0,0|3,0,1]=4 255 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,0,0,0,0,0|3,0,1]=4 256 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,0,0,0,0,0|3,0,1]=4 257 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,0,0,0,0,0|3,0,1]=4 258 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,0,0,0,0,0|3,0,1]=4 259 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,0,0,0,0,0|3,0,1]=4 260 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,0,0,0,0,0|3,0,1]=4 261 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,0,0,0,0,0|3,0,1]=4 262 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,0,0,0,0,0|3,0,1]=4 263 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,0,0,0,0,0|3,0,1]=4 264 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,0,0,0,0,0|3,0,1]=4 265 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,0,0,0,0,0|3,0,1]=4 266 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,0,0,0,0,0|3,0,1]=4 267 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,0,0,0,0,0|3,0,1]=4 268 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,0,0,0,0,0|3,0,1]=4 269 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,0,0,0,0,0|3,0,1]=4 270 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,0,0,0,0,0|3,0,1]=4 271 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,0,0,0,0,0|3,0,1]=4 272 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,0,0,0,0,0|3,0,1]=4 273 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,0,0,0,0,0|3,0,1]=4 274 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,0,0,0,0,0|3,0,1]=4 275 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,0,0,0,0,0|3,0,1]=4 276 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,0,0,0,0,0|3,0,1]=4 277 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,0,0,0,0,0|3,0,1]=4 278 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,0,0,0,0,0|3,0,1]=4 279 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,0,0,0,0,0|3,0,1]=4 280 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,0,0,0,0,0|3,0,1]=4 281 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,0,0,0,0,0|3,0,1]=4 282 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,0,0,0,0,0|3,0,1]=4 283 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,0,0,0,0,0|3,0,1]=4 284 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,0,0,0,0,0|3,0,1]=4 285 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,0,0,0,0,0|3,0,1]=4 286 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,0,0,0,0,0|3,0,1]=4 287 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,0,0,0,0,0|2,0,1]=3 288 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,0,0,0,0,0|2,0,1]=3 289 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [0,0,0,0,0,0|1,0,3]=4 290 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [0,0,0,0,0,0|1,0,3]=4 291 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,0,0,0,0,0|2,0,2]=4 292 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,0,0,0,0,0|2,0,2]=4 293 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,0,0,0,0,0|1,0,3]=4 294 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,0,0,0,0,0|1,0,3]=4 295 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,0,0,0,0,0|2,0,1]=3 296 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,0,0,0,0,0|2,0,1]=3 297 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,0,0,0,0,0|1,0,1]=2 298 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,0,0,0,0,0|1,0,1]=2 299 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,0,0,0,0,0|3,0,1]=4 300 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,0,0,0,0,0|3,0,1]=4 301 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,0,0,0,0,0|3,0,1]=4 302 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,0,0,0,0,0|3,0,1]=4 303 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,0,0,0,0,0|3,0,1]=4 304 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,0,0,0,0,0|3,0,1]=4 305 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,0,0,0,0,0|3,0,1]=4 307 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,0,0,0,0,0|3,0,1]=4 308 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,0,0,0,0,0|3,0,1]=4 309 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,0,0,0,0,0|3,0,1]=4 310 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,0,0,0,0,0|3,0,1]=4 311 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,0,0,0,0,0|2,0,2]=4 312 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,0,0,0,0,0|2,0,2]=4 313 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,0,0,0,0,0|2,0,2]=4 314 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,0,0,0,0,0|1,0,2]=3 315 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,0,0,0,0,0|1,0,2]=3 316 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,0,0,0,0,0|1,0,2]=3 317 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,0,0,0,0,0|1,0,2]=3 318 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,0,0,0,0,0|1,0,2]=3 319 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,0,0,0,0,0|2,0,2]=4 320 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,0,0,0,0,0|2,0,2]=4 321 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,0,0,0,0,0|2,0,2]=4 322 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,0,0,0,0,0|2,0,2]=4 323 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,0,0,0,0,0|2,0,2]=4 324 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,0,0,0,0,0|2,0,2]=4 325 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,0,0,0,0,0|2,0,2]=4 326 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,0,0,0,0,0|2,0,2]=4 327 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,0,0,0,0,0|2,0,2]=4 328 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,0,0,0,0,0|2,0,2]=4 329 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,0,0,0,0,0|2,0,2]=4 330 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,0,0,0,0,0|2,0,2]=4 331 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,0,0,0,0,0|2,0,2]=4 332 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,0,0,0,0,0|2,0,2]=4 333 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,0,0,0,0,0|1,0,2]=3 334 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,0,0,0,0,0|2,0,2]=4 335 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,0,0,0,0,0|2,0,2]=4 336 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,0,0,0,0,0|2,0,2]=4 337 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,0,0,0,0,0|2,0,2]=4 338 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,0,0,0,0,0|2,0,2]=4 339 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,0,0,0,0,0|2,0,2]=4 340 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,0,0,0,0,0|2,0,2]=4 341 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,0,0,0,0,0|3,0,1]=4 342 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,0,0,0,0,0|3,0,1]=4 343 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,0,0,0,0,0|3,0,1]=4 344 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,0,0,0,0,0|2,0,1]=3 345 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,0,0,0,0,0|2,0,1]=3 346 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,0,0,0,0,0|2,0,2]=4 347 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,0,0,0,0,0|2,0,2]=4 348 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,0,0,0,0,0|1,0,2]=3 349 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,0,0,0,0,0|1,0,2]=3 350 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,0,0,0,0,0|2,0,2]=4 351 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,0,0,0,0,0|2,0,2]=4 352 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,0,0,0,0,0|2,0,2]=4 353 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,0,0,0,0,0|2,0,2]=4 354 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,0,0,0,0,0|2,0,2]=4 355 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,0,0,0,0,0|2,0,2]=4 356 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,0,0,0,0,0|2,0,2]=4 357 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,0,0,0,0,0|2,0,2]=4 358 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,0,0,0,0,0|2,0,2]=4 359 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,0,0,0,0,0|3,0,1]=4 360 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,0,0,0,0,0|3,0,1]=4 361 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,0,0,0,0,0|3,0,1]=4 362 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,0,0,0,0,0|3,0,1]=4 363 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,0,0,0,0,0|3,0,1]=4 364 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,0,0,0,0,0|3,0,1]=4 365 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,0,0,0,0,0|3,0,1]=4 366 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,0,0,0,0,0|3,0,1]=4 367 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,0,0,0,0,0|2,0,1]=3 368 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,0,0,0,0,0|2,0,1]=3 369 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,0,0,0,0,0|3,0,1]=4 370 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,0,0,0,0,0|3,0,1]=4 371 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,0,0,0,0,0|3,0,1]=4 372 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,0,0,0,0,0|3,0,1]=4 373 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,0,0,0,0,0|3,0,1]=4 374 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,0,0,0,0,0|3,0,1]=4 375 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,0,0,0,0,0|3,0,1]=4 376 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,0,0,0,0,0|3,0,1]=4 377 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,0,0,0,0,0|3,0,1]=4 378 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,0,0,0,0,0|3,0,1]=4 379 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,0,0,0,0,0|3,0,1]=4 380 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,0,0,0,0,0|3,0,1]=4 381 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,0,0,0,0,0|3,0,1]=4 382 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,0,0,0,0,0|3,0,1]=4 383 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,0,0,0,0,0|3,0,1]=4 384 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,0,0,0,0,0|3,0,1]=4 385 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,0,0,0,0,0|3,0,1]=4 386 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,0,0,0,0,0|2,0,2]=4 387 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,0,0,0,0,0|2,0,2]=4 388 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,0,0,0,0,0|3,0,1]=4 389 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,0,0,0,0,0|3,0,1]=4 390 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,0,0,0,0,0|2,0,2]=4 391 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,0,0,0,0,0|3,0,1]=4 392 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,0,0,0,0,0|2,0,1]=3 393 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,0,0,0,0,0|2,0,2]=4 394 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,0,0,0,0,0|2,0,2]=4 395 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,0,0,0,0,0|2,0,1]=3 396 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,0,0,0,0,0|2,0,1]=3 397 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,0,0,0,0,0|2,0,1]=3 398 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,0,0,0,0,0|2,0,1]=3 399 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,0,0,0,0,0|2,0,1]=3 400 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,0,0,0,0,0|2,0,1]=3 401 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,0,0,0,0,0|2,0,1]=3 402 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,0,0,0,0,0|2,0,1]=3 403 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,0,0,0,0,0|2,0,1]=3 404 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,0,0,0,0,0|2,0,1]=3 405 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,0,0,0,0,0|2,0,1]=3 406 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,0,0,0,0,0|2,0,2]=4 407 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,0,0,0,0,0|2,0,2]=4 408 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,0,0,0,0,0|2,0,2]=4 409 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,0,0,0,0,0|2,0,2]=4 410 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,0,0,0,0,0|2,0,2]=4 411 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,0,0,0,0,0|2,0,2]=4 412 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,0,0,0,0,0|2,0,2]=4 413 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,0,0,0,0,0|2,0,2]=4 414 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,0,0,0,0,0|2,0,2]=4 415 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,0,0,0,0,0|1,0,2]=3 416 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,0,0,0,0,0|1,0,2]=3 417 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,0,0,0,0,0|2,0,2]=4 418 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,0,0,0,0,0|2,0,2]=4 419 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,0,0,0,0,0|2,0,2]=4 420 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,0,0,0,0,0|2,0,2]=4 421 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,0,0,0,0,0|2,0,2]=4 422 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,0,0,0,0,0|2,0,2]=4 423 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,0,0,0,0,0|2,0,2]=4 424 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,0,0,0,0,0|2,0,2]=4 425 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,0,0,0,0,0|2,0,2]=4 426 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,0,0,0,0,0|2,0,2]=4 427 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,0,0,0,0,0|2,0,2]=4 428 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,0,0,0,0,0|2,0,2]=4 429 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,0,0,0,0,0|1,0,2]=3 430 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,0,0,0,0,0|1,0,2]=3 431 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,0,0,0,0,0|2,0,2]=4 432 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,0,0,0,0,0|2,0,2]=4 433 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|2,0,0]=3 440 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|2,0,0]=3 441 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|2,0,0]=3 444 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|2,0,0]=3 445 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|2,0,0]=3 446 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,0,0,0,0,0|2,0,0]=3 447 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,0,0,0,0,0|2,0,0]=3 448 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|2,0,1]=4 450 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|1,0,2]=4 455 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|1,0,2]=4 456 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|1,0,2]=4 457 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,0,2]=4 458 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,0,2]=4 459 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,0,2]=4 460 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|1,0,0]=2 461 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|1,0,0]=2 462 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|1,0,0]=2 463 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,0,0]=2 464 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,0,0]=2 465 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,0,0]=2 466 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,0]=2 467 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,0]=2 468 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,0]=2 469 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,0]=2 470 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|2,0,0]=3 471 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|2,0,0]=3 473 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|2,0,0]=3 474 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,0,0,0,0,0|2,0,0]=3 475 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,0,0,0,0,0|2,0,0]=3 478 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,0,0,0,0,0|1,0,2]=4 479 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,0,0,0,0,0|1,0,2]=4 480 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,0,0,0,0,0|1,0,2]=4 481 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,0,0,0,0,0|1,0,2]=4 482 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,0,0,0,0,0|1,0,2]=4 483 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,0,0,0,0,0|1,0,2]=4 484 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,0,0,0,0,0|1,0,2]=4 485 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,0,0,0,0,0|1,0,2]=4 486 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,0,0,0,0,0|1,0,2]=4 487 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,0,0,0,0,0|1,0,2]=4 488 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|1,0,2]=4 490 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|1,0,2]=4 491 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|1,0,2]=4 492 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|1,0,2]=4 493 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|1,0,2]=4 494 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|1,0,2]=4 495 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|1,0,2]=4 496 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|1,0,2]=4 497 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|1,0,2]=4 498 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|1,0,2]=4 499 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|1,0,2]=4 500 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|1,0,2]=4 501 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|1,0,2]=4 502 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|1,0,2]=4 503 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|1,0,1]=3 504 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|1,0,1]=3 505 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|1,0,1]=3 506 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 508 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,0,1]=3 509 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 510 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 511 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 512 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,0,1]=3 513 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,0,1]=3 514 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|1,0,1]=3 518 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|1,0,1]=3 519 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|2,0,1]=4 520 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|1,0,1]=3 521 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,0,1]=3 524 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|1,0,1]=3 526 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,1]=3 529 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,1]=3 530 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|2,0,1]=4 531 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|2,0,1]=4 532 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|2,0,1]=4 533 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|2,0,1]=4 534 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,0,0,0,0,0|2,0,1]=4 535 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|2,0,0]=3 536 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|2,0,0]=3 537 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|2,0,0]=3 538 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|1,0,0]=2 539 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,0]=3 544 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,0]=3 545 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,0]=3 546 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,0]=3 547 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,0]=3 548 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|1,0,0]=2 549 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 550 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 551 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,0,1]=4 552 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 553 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 554 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 555 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 556 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 557 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,1]=4 558 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,1]=4 559 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,1]=4 560 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 561 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|3,0,0]=4 562 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 563 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 564 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,1]=4 566 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,1]=4 567 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,1]=4 568 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 569 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,1]=4 570 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,1]=4 571 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,1]=4 572 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|3,0,0]=4 574 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|3,0,0]=4 575 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 576 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 577 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,0]=3 578 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,0]=3 579 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|1,0,0]=2 580 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|1,0,0]=2 581 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|2,0,1]=4 582 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|2,0,1]=4 583 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|2,0,1]=4 585 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,0,1]=4 589 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,0,1]=4 590 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 592 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 593 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,1]=4 594 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,1]=4 595 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,1]=4 596 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,1]=4 597 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,1]=4 598 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|1,0,1]=3 603 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|1,0,1]=3 604 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|1,0,1]=3 605 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|1,0,1]=3 606 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|1,0,1]=3 607 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|2,0,1]=4 608 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 609 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 610 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 611 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 613 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|2,0,1]=4 614 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 615 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|1,0,1]=3 616 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,0,0,0,0|2,0,1]=4 617 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|2,0,1]=4 618 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|2,0,1]=4 619 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|2,0,1]=4 620 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|2,0,1]=4 621 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|1,0,1]=3 622 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|1,0,1]=3 623 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|2,0,1]=4 624 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|2,0,1]=4 625 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|2,0,1]=4 626 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|2,0,1]=4 627 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [1,0,0,0,0,0|3,0,0]=4 628 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|3,0,0]=4 629 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,0,0,0,0,0|3,0,0]=4 630 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,0,0,0,0,0|3,0,0]=4 631 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|3,0,0]=4 632 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|3,0,0]=4 633 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|3,0,0]=4 634 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,0,0,0,0|2,0,1]=4 635 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|2,0,1]=4 636 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|2,0,1]=4 637 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,1]=4 638 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,1]=4 639 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|2,0,0]=3 640 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|2,0,0]=3 641 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,0,0,0,0|2,0,1]=4 644 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,0,0,0,0|2,0,1]=4 645 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,0,0,0,0|2,0,1]=4 646 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,0,0,0,0|2,0,1]=4 647 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,0,0,0,0|2,0,1]=4 648 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,0,0,0,0|2,0,1]=4 649 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,0,0,0,0|2,0,1]=4 650 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|1,0,1]=3 651 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|1,0,1]=3 652 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|2,0,1]=4 653 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 654 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 655 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 656 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 657 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|2,0,1]=4 658 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 659 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|2,0,1]=4 660 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|2,0,1]=4 661 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|1,0,1]=3 662 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|1,0,1]=3 663 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|1,0,2]=4 664 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,0,0,0,0|0,0,3]=4 665 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,0,0,0,0|1,0,2]=4 666 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|1,0,2]=4 667 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|1,0,2]=4 668 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,1,0,0,0,0|1,0,2]=4 672 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|0,0,3]=4 673 B8R0.1 C/C=C/CN(C)CCO 269982a_100000210263_100102629194 [0,1,0,0,0,0|1,0,2]=4 674 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,0,0,0,0|0,0,3]=4 675 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|1,0,2]=4 676 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|0,0,3]=4 677 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|1,0,2]=4 678 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|1,0,2]=4 679 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|1,0,2]=4 680 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|1,0,2]=4 684 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|1,0,2]=4 685 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|0,0,2]=3 686 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,0,0,0,0|2,0,1]=4 694 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|1,0,1]=3 697 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|1,0,1]=3 698 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|0,0,1]=2 699 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|1,0,1]=3 708 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|0,0,3]=4 709 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|0,0,3]=4 710 B8R0.1 CC=CCN(C)CCO 2230a_100000210263_100000070051 [0,1,0,0,0,0|1,0,2]=4 711 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,0,0,0,0|0,0,3]=4 712 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|1,0,2]=4 713 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|1,0,1]=3 714 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|1,0,1]=3 715 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|0,0,1]=2 716 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|0,0,3]=4 719 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|1,0,2]=4 722 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|1,0,1]=3 723 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|0,0,1]=2 724 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|1,0,1]=3 740 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|1,0,1]=3 741 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,1,0,0,0,0|1,0,2]=4 749 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,1,0,0,0,0|1,0,2]=4 750 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,1,0,0,0,0|1,0,2]=4 751 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,1,0,0,0,0|1,0,2]=4 752 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|1,0,2]=4 753 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|1,0,2]=4 754 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,0,0,0,0|1,0,2]=4 755 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,0,0,0,0|1,0,2]=4 756 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|1,0,1]=3 760 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|1,0,1]=3 761 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|0,0,3]=4 763 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|0,0,3]=4 764 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 767 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 768 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 769 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,1,0,0,0,0|1,0,2]=4 785 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,1,0,0,0,0|1,0,2]=4 786 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,1,0,0,0,0|1,0,2]=4 787 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,1,0,0,0,0|1,0,2]=4 788 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,1,0,0,0,0|1,0,2]=4 789 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,1,0,0,0,0|1,0,2]=4 790 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,1,0,0,0,0|1,0,2]=4 793 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,1,0,0,0,0|1,0,2]=4 794 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,1,0,0,0,0|1,0,1]=3 797 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,1,0,0,0,0|1,0,1]=3 798 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,1,0,0,0,0|1,0,1]=3 799 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,1,0,0,0,0|1,0,1]=3 800 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|1,0,2]=4 805 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 811 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,1,0,0,0,0|1,0,1]=3 814 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,1,0,0,0,0|1,0,1]=3 815 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|1,0,1]=3 820 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,0,0,0,0|1,0,1]=3 823 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,0,0,0,0|1,0,1]=3 824 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|3,0,0]=4 830 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|3,0,0]=4 832 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|3,0,0]=4 841 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|3,0,0]=4 842 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|3,0,0]=4 843 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|3,0,0]=4 844 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|3,0,0]=4 851 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 856 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 857 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 861 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|3,0,0]=4 873 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|3,0,0]=4 874 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|3,0,0]=4 876 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|1,0,2]=4 880 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 882 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|1,0,2]=4 884 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,1,0,0,0,0|2,0,1]=4 890 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,1,0,0,0,0|2,0,1]=4 891 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,1,0,0,0,0|2,0,1]=4 892 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,1,0,0,0,0|1,0,2]=4 893 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,1,0,0,0,0|1,0,2]=4 894 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,0,0,0,0|1,0,1]=3 898 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|1,0,1]=3 900 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|1,0,1]=3 909 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,1,0,0,0,0|1,0,2]=4 918 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|1,0,2]=4 919 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,0,0,0,0|1,0,2]=4 924 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,1,0,0,0,0|2,0,1]=4 925 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,0,0,0,0|1,0,1]=3 926 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,0,0,0,0|1,0,1]=3 929 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,1,0,0,0,0|2,0,1]=4 931 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,0,0,0,0|1,0,1]=3 932 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|1,0,1]=3 934 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.4 C#CCCC=NNCC 4a_100000756455_100011713443 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [0,1,0,0,0,0|2,0,1]=4 949 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [0,1,0,0,0,0|2,0,1]=4 950 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,1,0,0,0,0|2,0,1]=4 951 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [0,1,0,0,0,0|1,0,2]=4 953 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [0,1,0,0,0,0|1,0,2]=4 954 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,1,0,0,0,0|1,0,2]=4 955 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,1,0,0,0,0|1,0,2]=4 956 B8R0.4 C#CCNC/C=C\CC 34a_100000212058_100103147603 [0,1,0,0,0,0|1,0,1]=3 957 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [0,1,0,0,0,0|1,0,2]=4 958 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [0,1,0,0,0,0|1,0,2]=4 959 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [0,1,0,0,0,0|1,0,2]=4 960 B8R0.4 C#CCOC/C=C\CC 34a_100000210247_100103147603 [0,1,0,0,0,0|1,0,1]=3 961 B8R0.4 C#CCOC/C=C\CC 34a_100016268518_100000184674 [0,1,0,0,0,0|1,0,1]=3 962 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [0,1,0,0,0,0|1,0,2]=4 963 B8R0.4 C#CCSC/C=C\CC 62a_100000038162_100103147603 [0,1,0,0,0,0|1,0,1]=3 964 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,1,0,0,0,0|1,0,2]=4 965 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,1,0,0,0,0|1,0,2]=4 966 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,1,0,0,0,0|1,0,2]=4 967 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,1,0,0,0,0|1,0,2]=4 968 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [0,1,0,0,0,0|1,0,2]=4 969 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,1,0,0,0,0|0,0,2]=3 970 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,1,0,0,0,0|1,0,2]=4 971 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [0,1,0,0,0,0|1,0,2]=4 972 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [0,1,0,0,0,0|1,0,2]=4 973 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,1,0,0,0,0|1,0,2]=4 974 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,1,0,0,0,0|1,0,2]=4 975 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,1,0,0,0,0|1,0,2]=4 976 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [0,1,0,0,0,0|1,0,2]=4 977 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [0,1,0,0,0,0|1,0,2]=4 978 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [0,1,0,0,0,0|1,0,2]=4 979 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,1,0,0,0,0|1,0,2]=4 980 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [0,1,0,0,0,0|0,0,2]=3 981 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [0,1,0,0,0,0|1,0,2]=4 982 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [0,1,0,0,0,0|1,0,2]=4 983 B8R0.4 C/C=C/COCCON 34a_100000700252_100102629194 [0,1,0,0,0,0|1,0,2]=4 984 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,1,0,0,0,0|1,0,2]=4 985 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,1,0,0,0,0|1,0,2]=4 986 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,1,0,0,0,0|1,0,2]=4 987 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,1,0,0,0,0|1,0,2]=4 988 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,1,0,0,0,0|0,0,2]=3 989 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,1,0,0,0,0|0,0,2]=3 990 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,1,0,0,0,0|1,0,2]=4 991 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,1,0,0,0,0|1,0,2]=4 992 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [0,1,0,0,0,0|2,0,1]=4 993 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,1,0,0,0,0|2,0,1]=4 994 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,1,0,0,0,0|2,0,1]=4 995 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,1,0,0,0,0|2,0,1]=4 996 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,1,0,0,0,0|2,0,1]=4 997 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,1,0,0,0,0|2,0,1]=4 998 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,1,0,0,0,0|2,0,1]=4 999 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,1,0,0,0,0|2,0,1]=4 1000 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,1,0,0,0,0|2,0,1]=4 1004 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,1,0,0,0,0|2,0,1]=4 1006 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,0,0,0,0|2,0,1]=4 1007 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,0,0,0,0|2,0,1]=4 1008 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,1,0,0,0,0|1,0,2]=4 1009 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,1,0,0,0,0|1,0,2]=4 1010 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,0,0,0,0|1,0,2]=4 1011 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,0,0,0,0|1,0,2]=4 1012 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [0,1,0,0,0,0|1,0,1]=3 1013 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,1,0,0,0,0|1,0,2]=4 1014 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,1,0,0,0,0|1,0,2]=4 1015 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,1,0,0,0,0|1,0,2]=4 1016 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [0,1,0,0,0,0|1,0,1]=3 1017 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [0,1,0,0,0,0|1,0,1]=3 1018 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,1,0,0,0,0|1,0,2]=4 1019 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,1,0,0,0,0|1,0,1]=3 1020 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,1,0,0,0,0|1,0,1]=3 1021 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,1,0,0,0,0|1,0,2]=4 1022 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,1,0,0,0,0|1,0,2]=4 1023 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [0,1,0,0,0,0|0,0,3]=4 1024 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [0,1,0,0,0,0|0,0,3]=4 1025 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [0,1,0,0,0,0|0,0,3]=4 1026 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [0,1,0,0,0,0|0,0,3]=4 1027 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [0,1,0,0,0,0|0,0,3]=4 1028 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [0,1,0,0,0,0|0,0,3]=4 1029 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,1,0,0,0,0|0,0,0]=1 1030 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,1,0,0,0,0|0,0,0]=1 1031 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,1,0,0,0,0|0,0,0]=1 1032 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,1,0,0,0,0|0,0,0]=1 1033 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [0,1,0,0,0,0|1,0,0]=2 1034 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,1,0,0,0,0|1,0,0]=2 1035 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,1,0,0,0,0|1,0,0]=2 1036 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,1,0,0,0,0|1,0,0]=2 1037 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [0,1,0,0,0,0|1,0,0]=2 1038 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [0,1,0,0,0,0|1,0,0]=2 1039 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,1,0,0,0,0|1,0,0]=2 1040 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,1,0,0,0,0|1,0,0]=2 1041 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [0,1,0,0,0,0|1,0,0]=2 1042 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [0,1,0,0,0,0|1,0,0]=2 1043 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,1,0,0,0,0|1,0,0]=2 1044 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,1,0,0,0,0|0,0,0]=1 1045 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,1,0,0,0,0|0,0,0]=1 1046 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,1,0,0,0,0|0,0,2]=3 1047 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [0,1,0,0,0,0|1,0,0]=2 1048 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [0,1,0,0,0,0|1,0,0]=2 1049 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [0,1,0,0,0,0|1,0,0]=2 1050 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [0,1,0,0,0,0|1,0,0]=2 1051 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [0,1,0,0,0,0|1,0,0]=2 1052 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [0,1,0,0,0,0|0,0,0]=1 1053 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [0,1,0,0,0,0|1,1,0]=3 1054 B8R0.4 CC/C=C\CSCC#N 62a_100011215382_100103147603 [0,1,0,0,0,0|1,0,1]=3 1055 B8R0.4 CC/C=C\CSCC#N 62a_100103147603_100011215382 [0,1,0,0,0,0|1,0,1]=3 1056 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,1,0,0,0,0|0,0,2]=3 1057 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,1,0,0,0,0|0,0,2]=3 1058 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,1,0,0,0,0|1,0,0]=2 1059 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,1,0,0,0,0|1,0,0]=2 1060 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [0,1,0,0,0,0|1,0,0]=2 1061 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [0,1,0,0,0,0|1,0,0]=2 1062 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,1,0,0,0,0|0,0,0]=1 1063 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,1,0,0,0,0|0,0,0]=1 1064 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [0,1,0,0,0,0|1,0,0]=2 1065 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [0,1,0,0,0,0|1,0,0]=2 1066 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [0,1,0,0,0,0|1,1,0]=3 1067 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [0,1,0,0,0,0|1,1,0]=3 1068 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [0,1,0,0,0,0|1,0,2]=4 1069 B8R0.4 CC=C=CCCOCF 34a_100011020354_100015361967 [0,1,0,0,0,0|1,0,2]=4 1070 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,1,0,0,0,0|1,0,2]=4 1071 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [0,1,0,0,0,0|1,0,2]=4 1072 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,1,0,0,0,0|1,0,2]=4 1073 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,1,0,0,0,0|1,0,2]=4 1074 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [0,1,0,0,0,0|1,0,2]=4 1075 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [0,1,0,0,0,0|1,0,2]=4 1076 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,1,0,0,0,0|1,0,2]=4 1077 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [0,1,0,0,0,0|1,0,2]=4 1078 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,1,0,0,0,0|1,0,2]=4 1079 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,1,0,0,0,0|1,0,2]=4 1080 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [0,1,0,0,0,0|1,0,2]=4 1081 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [0,1,0,0,0,0|1,0,2]=4 1082 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,1,0,0,0,0|1,0,2]=4 1083 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [0,1,0,0,0,0|1,0,2]=4 1084 B8R0.4 CC=CCOCCON 34a_100000700252_100000070051 [0,1,0,0,0,0|1,0,2]=4 1085 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,1,0,0,0,0|1,0,2]=4 1086 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,1,0,0,0,0|1,0,2]=4 1087 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,1,0,0,0,0|1,0,2]=4 1088 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,1,0,0,0,0|1,0,2]=4 1089 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,1,0,0,0,0|0,0,2]=3 1090 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,1,0,0,0,0|0,0,2]=3 1091 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,1,0,0,0,0|1,0,2]=4 1092 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,1,0,0,0,0|1,0,2]=4 1093 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [0,1,0,0,0,0|1,0,2]=4 1094 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [0,1,0,0,0,0|1,0,2]=4 1095 B8R0.4 CCC#CCCOCF 34a_100000036655_100015361967 [0,1,0,0,0,0|1,0,2]=4 1096 B8R0.4 CCC#CCCOCF 7a_100000036655_100015361967 [0,1,0,0,0,0|1,0,2]=4 1097 B8R0.4 CCC#CCNCCF 34a_100000724931_100009813939 [0,1,0,0,0,0|1,0,2]=4 1098 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [0,1,0,0,0,0|0,0,2]=3 1099 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [0,1,0,0,0,0|0,0,2]=3 1100 B8R0.4 CCC#CCOCCBr 34a_100000211926_100009813939 [0,1,0,0,0,0|1,0,2]=4 1101 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [0,1,0,0,0,0|1,0,2]=4 1102 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [0,1,0,0,0,0|1,0,2]=4 1103 B8R0.4 CCC#CCOCCF 34a_100000032950_100011217306 [0,1,0,0,0,0|1,0,2]=4 1104 B8R0.4 CCC#CCOCCN 34a_100000210304_100009813939 [0,1,0,0,0,0|1,0,2]=4 1105 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [0,1,0,0,0,0|0,0,2]=3 1106 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [0,1,0,0,0,0|1,0,2]=4 1107 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [0,1,0,0,0,0|1,0,2]=4 1108 B8R0.4 CCC#CCSCCF 62a_100009813939_100011217306 [0,1,0,0,0,0|1,0,2]=4 1109 B8R0.4 CCC#CCSCCF 62a_100011217306_100009813939 [0,1,0,0,0,0|1,0,2]=4 1110 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [0,1,0,0,0,0|0,0,2]=3 1111 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [0,1,0,0,0,0|0,0,2]=3 1112 B8R0.4 CCC#CCSCOC 62a_100000766300_100009813939 [0,1,0,0,0,0|1,0,2]=4 1113 B8R0.4 CCC#CCSCOC 62a_100009813939_100000766300 [0,1,0,0,0,0|1,0,2]=4 1114 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,1,0,0,0,0|2,0,0]=3 1115 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,1,0,0,0,0|2,0,0]=3 1116 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [0,1,0,0,0,0|2,0,0]=3 1118 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [0,1,0,0,0,0|2,0,1]=4 1119 B8R0.4 CCC=NNCCC#N 4a_100000229987_100000210100 [0,1,0,0,0,0|2,0,1]=4 1120 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [0,1,0,0,0,0|2,0,0]=3 1121 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,1,0,0,0,0|0,0,3]=4 1122 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,1,0,0,0,0|0,0,3]=4 1123 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,1,0,0,0,0|0,0,3]=4 1124 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,1,0,0,0,0|0,0,3]=4 1125 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,1,0,0,0,0|1,0,0]=2 1126 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,1,0,0,0,0|1,0,0]=2 1127 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,1,0,0,0,0|1,0,0]=2 1128 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,1,0,0,0,0|1,0,0]=2 1129 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [0,1,0,0,0,0|2,0,1]=4 1130 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,1,0,0,0,0|1,0,1]=3 1131 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [0,1,0,0,0,0|1,0,2]=4 1132 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [0,1,0,0,0,0|1,0,2]=4 1133 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [0,1,0,0,0,0|1,0,2]=4 1134 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [0,1,0,0,0,0|1,0,2]=4 1135 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [0,1,0,0,0,0|2,0,0]=3 1136 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,1,0,0,0,0|1,0,2]=4 1137 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,1,0,0,0,0|1,0,2]=4 1138 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,1,0,0,0,0|1,0,2]=4 1139 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,1,0,0,0,0|1,0,2]=4 1140 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,1,0,0,0,0|1,0,2]=4 1141 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,1,0,0,0,0|0,0,2]=3 1142 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,1,0,0,0,0|0,0,2]=3 1143 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,1,0,0,0,0|0,0,2]=3 1144 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,1,0,0,0,0|0,0,2]=3 1145 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,1,0,0,0,0|0,0,2]=3 1146 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,1,0,0,0,0|0,1,2]=4 1147 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,1,0,0,0,0|0,1,2]=4 1148 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,1,0,0,0,0|0,1,2]=4 1149 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,1,0,0,0,0|0,1,2]=4 1150 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,1,0,0,0,0|1,0,2]=4 1151 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,1,0,0,0,0|1,0,2]=4 1152 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,1,0,0,0,0|1,0,2]=4 1153 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,1,0,0,0,0|1,0,2]=4 1154 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,1,0,0,0,0|1,0,2]=4 1155 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,1,0,0,0,0|1,0,2]=4 1156 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,1,0,0,0,0|1,0,2]=4 1157 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,1,0,0,0,0|1,0,2]=4 1158 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,1,0,0,0,0|1,0,2]=4 1159 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,1,0,0,0,0|1,0,2]=4 1160 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,1,0,0,0,0|1,0,2]=4 1161 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,1,0,0,0,0|1,0,2]=4 1162 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,1,0,0,0,0|1,0,2]=4 1163 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,1,0,0,0,0|1,0,2]=4 1164 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,1,0,0,0,0|0,0,2]=3 1165 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,1,0,0,0,0|0,0,2]=3 1166 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,1,0,0,0,0|0,0,2]=3 1167 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,1,0,0,0,0|1,0,2]=4 1168 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,1,0,0,0,0|2,0,1]=4 1169 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,1,0,0,0,0|1,0,2]=4 1170 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,1,0,0,0,0|1,0,2]=4 1171 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,1,0,0,0,0|1,0,2]=4 1172 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,1,0,0,0,0|1,0,2]=4 1173 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,1,0,0,0,0|1,0,2]=4 1174 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,1,0,0,0,0|1,0,2]=4 1175 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,1,0,0,0,0|1,0,2]=4 1176 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,1,0,0,0,0|0,0,2]=3 1177 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,1,0,0,0,0|0,0,2]=3 1178 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,1,0,0,0,0|1,0,2]=4 1180 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,1,0,0,0,0|1,0,2]=4 1181 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,1,0,0,0,0|1,0,2]=4 1182 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,1,0,0,0,0|1,0,2]=4 1183 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,1,0,0,0,0|0,0,2]=3 1184 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,1,0,0,0,0|0,0,2]=3 1185 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,1,0,0,0,0|1,0,2]=4 1186 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,1,0,0,0,0|1,0,2]=4 1187 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,1,0,0,0,0|2,0,1]=4 1188 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,1,0,0,0,0|2,0,1]=4 1189 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,1,0,0,0,0|1,0,2]=4 1190 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,1,0,0,0,0|1,0,2]=4 1191 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,1,0,0,0,0|1,0,2]=4 1192 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,1,0,0,0,0|1,0,2]=4 1193 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,1,0,0,0,0|1,0,2]=4 1194 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,1,0,0,0,0|1,0,2]=4 1195 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,1,0,0,0,0|0,0,2]=3 1196 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,1,0,0,0,0|0,0,2]=3 1197 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,1,0,0,0,0|1,0,2]=4 1198 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,1,0,0,0,0|1,0,2]=4 1199 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,1,0,0,0,0|1,0,2]=4 1200 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,1,0,0,0,0|2,0,1]=4 1201 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,1,0,0,0,0|2,0,1]=4 1202 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,1,0,0,0,0|1,0,2]=4 1204 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,1,0,0,0,0|1,0,2]=4 1205 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,1,0,0,0,0|1,0,2]=4 1206 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,1,0,0,0,0|1,0,2]=4 1207 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,1,0,0,0,0|1,0,2]=4 1208 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,1,0,0,0,0|1,0,2]=4 1209 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,1,0,0,0,0|1,0,2]=4 1210 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,1,0,0,0,0|1,0,2]=4 1211 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,1,0,0,0,0|0,0,2]=3 1212 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,1,0,0,0,0|0,0,2]=3 1213 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,1,0,0,0,0|2,0,1]=4 1214 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,1,0,0,0,0|2,0,1]=4 1215 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,1,0,0,0,0|2,0,1]=4 1216 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,1,0,0,0,0|1,0,2]=4 1217 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,1,0,0,0,0|1,0,2]=4 1218 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,1,0,0,0,0|1,0,2]=4 1219 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,1,0,0,0,0|1,0,2]=4 1220 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,1,0,0,0,0|1,0,2]=4 1221 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,1,0,0,0,0|1,0,2]=4 1222 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,1,0,0,0,0|1,0,2]=4 1223 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,1,0,0,0,0|1,0,2]=4 1224 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,1,0,0,0,0|1,0,2]=4 1225 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,1,0,0,0,0|2,0,1]=4 1228 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,1,0,0,0,0|2,0,1]=4 1233 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,1,0,0,0,0|2,0,1]=4 1235 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,1,0,0,0,0|1,0,2]=4 1238 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,1,0,0,0,0|1,0,2]=4 1239 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,1,0,0,0,0|1,0,2]=4 1240 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,1,0,0,0,0|0,0,2]=3 1241 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,1,0,0,0,0|0,0,2]=3 1242 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,1,0,0,0,0|1,0,2]=4 1245 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,1,0,0,0,0|1,0,2]=4 1246 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,1,0,0,0,0|1,0,2]=4 1247 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,1,0,0,0,0|1,0,2]=4 1248 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,1,0,0,0,0|1,0,2]=4 1249 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,1,0,0,0,0|1,0,2]=4 1250 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,1,0,0,0,0|2,0,1]=4 1252 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,1,0,0,0,0|0,0,2]=3 1255 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,1,0,0,0,0|0,0,2]=3 1256 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,1,0,0,0,0|1,0,1]=3 1257 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,1,0,0,0,0|1,1,1]=4 1258 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [0,1,0,0,0,0|1,0,2]=4 1262 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,1,0,0,0,0|1,0,2]=4 1263 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,1,0,0,0,0|1,0,2]=4 1264 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,1,0,0,0,0|1,0,2]=4 1265 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,1,0,0,0,0|1,0,2]=4 1266 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,1,0,0,0,0|1,0,2]=4 1267 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,1,0,0,0,0|1,0,2]=4 1268 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,1,0,0,0,0|1,0,2]=4 1269 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,1,0,0,0,0|1,0,2]=4 1270 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,1,0,0,0,0|0,0,2]=3 1271 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,1,0,0,0,0|2,0,1]=4 1272 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,1,0,0,0,0|2,0,1]=4 1273 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,1,0,0,0,0|2,0,1]=4 1274 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,1,0,0,0,0|2,0,1]=4 1275 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,1,0,0,0,0|2,0,1]=4 1276 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,1,0,0,0,0|1,0,1]=3 1277 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,1,0,0,0,0|1,0,1]=3 1278 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,1,0,0,0,0|1,1,1]=4 1279 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,1,0,0,0,0|1,1,1]=4 1280 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,1,0,0,0,0|2,0,1]=4 1286 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,1,0,0,0,0|2,0,1]=4 1288 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,1,0,0,0,0|2,0,1]=4 1290 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,1,0,0,0,0|2,0,1]=4 1291 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,1,0,0,0,0|2,0,1]=4 1292 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,1,0,0,0,0|2,0,1]=4 1298 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,1,0,0,0,0|1,0,2]=4 1300 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,1,0,0,0,0|1,0,2]=4 1301 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,1,0,0,0,0|1,0,2]=4 1304 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,1,0,0,0,0|1,0,2]=4 1305 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,1,0,0,0,0|1,0,2]=4 1306 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,1,0,0,0,0|1,0,2]=4 1307 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,1,0,0,0,0|0,0,2]=3 1308 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,1,0,0,0,0|0,0,2]=3 1309 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,1,0,0,0,0|1,0,1]=3 1310 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,1,0,0,0,0|1,0,1]=3 1311 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,1,0,0,0,0|2,0,1]=4 1313 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,1,0,0,0,0|2,0,1]=4 1314 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,1,0,0,0,0|2,0,1]=4 1315 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,1,0,0,0,0|2,0,1]=4 1316 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,1,0,0,0,0|2,0,1]=4 1317 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,1,0,0,0,0|2,0,1]=4 1318 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,1,0,0,0,0|2,0,1]=4 1319 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [0,1,0,0,0,0|2,0,1]=4 1321 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,1,0,0,0,0|1,0,2]=4 1322 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,1,0,0,0,0|1,0,2]=4 1323 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,1,0,0,0,0|0,0,2]=3 1324 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,1,0,0,0,0|0,0,2]=3 1325 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,1,0,0,0,0|0,0,2]=3 1326 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,1,0,0,0,0|1,0,1]=3 1327 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,1,0,0,0,0|2,0,1]=4 1328 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,1,0,0,0,0|2,0,1]=4 1329 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,1,0,0,0,0|2,0,1]=4 1330 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,1,0,0,0,0|1,0,1]=3 1331 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,1,0,0,0,0|1,0,1]=3 1332 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,1,0,0,0,0|1,0,1]=3 1333 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,1,0,0,0,0|1,0,1]=3 1334 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.4 CCNN=CCCSC 4a_100000756455_100000210997 [0,1,0,0,0,0|3,0,0]=4 1336 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,1,0,0,0,0|1,0,2]=4 1337 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,1,0,0,0,0|1,0,2]=4 1338 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,1,0,0,0,0|1,0,2]=4 1339 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,1,0,0,0,0|1,0,2]=4 1340 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,1,0,0,0,0|1,0,2]=4 1341 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,1,0,0,0,0|1,0,2]=4 1342 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,1,0,0,0,0|1,0,2]=4 1343 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,1,0,0,0,0|1,0,2]=4 1344 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,1,0,0,0,0|0,0,2]=3 1345 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,1,0,0,0,0|1,0,1]=3 1346 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,1,0,0,0,0|1,0,1]=3 1347 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,1,0,0,0,0|1,1,1]=4 1348 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,1,0,0,0,0|1,1,1]=4 1349 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,1,0,0,0,0|2,0,1]=4 1350 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,1,0,0,0,0|2,0,1]=4 1351 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,1,0,0,0,0|2,0,1]=4 1352 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,1,0,0,0,0|2,0,1]=4 1353 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,1,0,0,0,0|2,0,1]=4 1354 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,1,0,0,0,0|2,0,1]=4 1355 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,1,0,0,0,0|2,0,1]=4 1357 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,1,0,0,0,0|2,0,1]=4 1358 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,1,0,0,0,0|2,0,1]=4 1359 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,1,0,0,0,0|2,0,1]=4 1360 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,1,0,0,0,0|2,0,1]=4 1361 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,1,0,0,0,0|2,0,1]=4 1362 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,1,0,0,0,0|2,0,1]=4 1363 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,1,0,0,0,0|2,0,1]=4 1364 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,1,0,0,0,0|1,0,1]=3 1365 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,1,0,0,0,0|1,0,1]=3 1366 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,1,0,0,0,0|1,0,1]=3 1367 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,1,0,0,0,0|1,0,1]=3 1368 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,1,0,0,0,0|2,0,1]=4 1369 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,1,0,0,0,0|2,0,1]=4 1370 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,1,0,0,0,0|2,0,1]=4 1371 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,1,0,0,0,0|2,0,1]=4 1372 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,1,0,0,0,0|2,0,1]=4 1373 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,1,0,0,0,0|2,0,1]=4 1374 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,1,0,0,0,0|2,0,1]=4 1375 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,1,0,0,0,0|2,0,1]=4 1376 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,1,0,0,0,0|2,0,1]=4 1377 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,1,0,0,0,0|2,0,1]=4 1381 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,1,0,0,0,0|2,0,1]=4 1382 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,1,0,0,0,0|1,0,1]=3 1383 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,1,0,0,0,0|1,0,1]=3 1384 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,1,0,0,0,0|1,0,1]=3 1385 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,1,0,0,0,0|2,0,1]=4 1386 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,1,0,0,0,0|2,0,1]=4 1387 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,1,0,0,0,0|1,0,1]=3 1388 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,1,0,0,0,0|1,0,1]=3 1389 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,1,0,0,0,0|2,0,1]=4 1390 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,1,0,0,0,0|2,0,1]=4 1392 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,1,0,0,0,0|2,0,1]=4 1393 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,1,0,0,0,0|1,0,1]=3 1394 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,1,0,0,0,0|1,0,1]=3 1395 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,1,0,0,0,0|2,0,1]=4 1396 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,1,0,0,0,0|2,0,1]=4 1397 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,1,0,0,0,0|2,0,1]=4 1398 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,1,0,0,0,0|2,0,1]=4 1399 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,1,0,0,0,0|1,0,2]=4 1400 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,1,0,0,0,0|1,0,2]=4 1401 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,1,0,0,0,0|1,0,2]=4 1402 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,1,0,0,0,0|1,0,2]=4 1403 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,1,0,0,0,0|0,0,2]=3 1404 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,1,0,0,0,0|0,0,2]=3 1405 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,1,0,0,0,0|1,0,1]=3 1406 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,1,0,0,0,0|1,0,1]=3 1407 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,1,0,0,0,0|2,0,1]=4 1408 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,1,0,0,0,0|2,0,1]=4 1409 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,1,0,0,0,0|2,0,1]=4 1410 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,1,0,0,0,0|1,0,1]=3 1412 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,1,0,0,0,0|1,0,1]=3 1413 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,1,0,0,0,0|1,0,1]=3 1414 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,1,0,0,0,0|2,0,1]=4 1415 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [0,1,0,0,0,0|2,0,1]=4 1416 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [0,1,0,0,0,0|2,0,1]=4 1417 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [0,1,0,0,0,0|2,0,1]=4 1418 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [0,1,0,0,0,0|2,0,1]=4 1419 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,1,0,0,0,0|1,0,1]=3 1420 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,1,0,0,0,0|1,0,1]=3 1421 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,1,0,0,0,0|1,0,1]=3 1422 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,1,0,0,0,0|1,0,1]=3 1423 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,1,0,0,0,0|2,0,1]=4 1424 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,1,0,0,0,0|2,0,1]=4 1425 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,1,0,0,0,0|1,0,1]=3 1426 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,1,0,0,0,0|1,0,1]=3 1427 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,1,0,0,0,0|2,0,1]=4 1428 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,1,0,0,0,0|2,0,1]=4 1430 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,1,0,0,0,0|2,0,1]=4 1431 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,1,0,0,0,0|1,0,2]=4 1432 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,1,0,0,0,0|1,0,2]=4 1433 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,1,0,0,0,0|1,0,2]=4 1434 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,1,0,0,0,0|0,0,2]=3 1435 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,1,0,0,0,0|0,0,2]=3 1436 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,1,0,0,0,0|0,0,2]=3 1437 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,1,0,0,0,0|0,0,2]=3 1438 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,1,0,0,0,0|0,0,2]=3 1439 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,1,0,0,0,0|1,0,2]=4 1440 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,1,0,0,0,0|1,0,2]=4 1441 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,1,0,0,0,0|1,0,2]=4 1442 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,1,0,0,0,0|1,0,2]=4 1443 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,1,0,0,0,0|1,0,2]=4 1444 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,1,0,0,0,0|1,0,2]=4 1445 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,1,0,0,0,0|1,0,2]=4 1446 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,1,0,0,0,0|1,0,2]=4 1447 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,1,0,0,0,0|1,0,2]=4 1448 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,1,0,0,0,0|1,0,2]=4 1449 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,1,0,0,0,0|1,0,2]=4 1450 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,1,0,0,0,0|1,0,2]=4 1451 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,1,0,0,0,0|1,0,2]=4 1452 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,1,0,0,0,0|0,0,2]=3 1453 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,1,0,0,0,0|1,0,2]=4 1454 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,1,0,0,0,0|1,0,2]=4 1455 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,1,0,0,0,0|2,0,1]=4 1456 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,1,0,0,0,0|2,0,1]=4 1457 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,1,0,0,0,0|2,0,1]=4 1458 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,1,0,0,0,0|2,0,1]=4 1459 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,1,0,0,0,0|2,0,1]=4 1460 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,1,0,0,0,0|1,0,2]=4 1461 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,1,0,0,0,0|1,0,2]=4 1462 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,1,0,0,0,0|1,0,2]=4 1463 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,1,0,0,0,0|2,0,1]=4 1464 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,1,0,0,0,0|2,0,1]=4 1465 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,1,0,0,0,0|2,0,1]=4 1466 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,1,0,0,0,0|2,0,1]=4 1467 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,1,0,0,0,0|1,0,2]=4 1468 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,1,0,0,0,0|2,0,1]=4 1469 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,1,0,0,0,0|2,0,1]=4 1470 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,1,0,0,0,0|2,0,1]=4 1471 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,1,0,0,0,0|1,0,2]=4 1472 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,1,0,0,0,0|1,0,2]=4 1473 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,1,0,0,0,0|2,0,1]=4 1474 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,1,0,0,0,0|2,0,1]=4 1475 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,1,0,0,0,0|2,0,1]=4 1476 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,1,0,0,0,0|2,0,1]=4 1477 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,1,0,0,0,0|2,0,1]=4 1478 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,1,0,0,0,0|2,0,1]=4 1479 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,1,0,0,0,0|2,0,1]=4 1480 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,1,0,0,0,0|1,0,1]=3 1481 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,1,0,0,0,0|2,0,1]=4 1482 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,1,0,0,0,0|2,0,1]=4 1483 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,1,0,0,0,0|2,0,1]=4 1484 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,1,0,0,0,0|2,0,1]=4 1485 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,1,0,0,0,0|2,0,1]=4 1486 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,1,0,0,0,0|1,0,1]=3 1487 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,1,0,0,0,0|2,0,1]=4 1488 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,1,0,0,0,0|2,0,1]=4 1489 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,1,0,0,0,0|1,0,1]=3 1490 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,1,0,0,0,0|1,0,1]=3 1491 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,1,0,0,0,0|1,0,1]=3 1492 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,1,0,0,0,0|2,0,1]=4 1493 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,1,0,0,0,0|2,0,1]=4 1494 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,1,0,0,0,0|1,0,1]=3 1495 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,1,0,0,0,0|1,0,1]=3 1496 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,1,0,0,0,0|1,0,2]=4 1497 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,1,0,0,0,0|1,0,2]=4 1498 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,1,0,0,0,0|0,0,2]=3 1499 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,1,0,0,0,0|0,0,2]=3 1500 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,1,0,0,0,0|1,0,2]=4 1501 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,1,0,0,0,0|1,0,2]=4 1502 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,1,0,0,0,0|1,0,2]=4 1503 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,1,0,0,0,0|2,0,1]=4 1504 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,1,0,0,0,0|2,0,1]=4 1505 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,1,0,0,0,0|2,0,1]=4 1506 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,1,0,0,0,0|1,0,1]=3 1507 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,1,0,0,0,0|2,0,1]=4 1508 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,1,0,0,0,0|2,0,1]=4 1509 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,1,0,0,0,0|2,0,1]=4 1510 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,1,0,0,0,0|2,0,1]=4 1511 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,1,0,0,0,0|2,0,1]=4 1512 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,1,0,0,0,0|2,0,1]=4 1513 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,1,0,0,0,0|1,0,1]=3 1514 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,1,0,0,0,0|1,0,1]=3 1515 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,1,0,0,0,0|2,0,1]=4 1516 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,1,0,0,0,0|2,0,1]=4 1517 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,1,0,0,0,0|1,0,1]=3 1518 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,1,0,0,0,0|1,0,1]=3 1519 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,1,0,0,0,0|1,0,1]=3 1520 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,1,0,0,0,0|1,0,1]=3 1521 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,1,0,0,0,0|2,0,1]=4 1522 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,1,0,0,0,0|2,0,1]=4 1523 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,1,0,0,0,0|2,0,1]=4 1524 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,1,0,0,0,0|2,0,1]=4 1525 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,1,0,0,0,0|2,0,1]=4 1526 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,1,0,0,0,0|2,0,1]=4 1527 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,1,0,0,0,0|2,0,1]=4 1528 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,1,0,0,0,0|1,0,1]=3 1529 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,1,0,0,0,0|1,0,1]=3 1530 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,1,0,0,0,0|2,0,1]=4 1531 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [0,1,0,0,0,0|2,0,1]=4 1532 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [0,1,0,0,0,0|2,0,1]=4 1533 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [0,1,0,0,0,0|2,0,1]=4 1534 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,1,0,0,0,0|2,0,1]=4 1535 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [0,1,0,0,0,0|2,0,1]=4 1537 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [0,1,0,0,0,0|2,0,1]=4 1538 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [0,1,0,0,0,0|2,0,1]=4 1539 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [0,1,0,0,0,0|2,0,1]=4 1540 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [0,1,0,0,0,0|2,0,1]=4 1541 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,1,0,0,0,0|2,0,1]=4 1542 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [0,1,0,0,0,0|2,0,1]=4 1543 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [0,1,0,0,0,0|2,0,1]=4 1544 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [0,1,0,0,0,0|2,0,1]=4 1545 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [0,1,0,0,0,0|2,0,1]=4 1546 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,1,0,0,0,0|1,0,2]=4 1547 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,1,0,0,0,0|1,0,2]=4 1548 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [0,1,0,0,0,0|1,0,2]=4 1549 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,1,0,0,0,0|1,0,2]=4 1550 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,1,0,0,0,0|1,0,2]=4 1551 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [0,1,0,0,0,0|2,0,1]=4 1552 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,1,0,0,0,0|1,0,2]=4 1553 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [0,1,0,0,0,0|2,0,1]=4 1554 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,1,0,0,0,0|1,0,1]=3 1555 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [0,1,0,0,0,0|2,0,1]=4 1556 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,1,0,0,0,0|1,0,1]=3 1557 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,1,0,0,0,0|2,0,1]=4 1558 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,1,0,0,0,0|1,0,2]=4 1559 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,1,0,0,0,0|1,0,2]=4 1560 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,1,0,0,0,0|1,0,2]=4 1561 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,1,0,0,0,0|1,0,2]=4 1562 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [0,1,0,0,0,0|1,0,2]=4 1563 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [0,1,0,0,0,0|1,0,2]=4 1564 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [0,1,0,0,0,0|1,0,2]=4 1565 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [0,1,0,0,0,0|1,0,2]=4 1566 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,1,0,0,0,0|1,0,2]=4 1567 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,1,0,0,0,0|1,0,2]=4 1568 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,1,0,0,0,0|1,0,2]=4 1569 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,1,0,0,0,0|1,0,1]=3 1570 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,1,0,0,0,0|1,0,1]=3 1571 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,1,0,0,0,0|1,0,1]=3 1572 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,1,0,0,0,0|1,0,1]=3 1573 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,1,0,0,0,0|1,0,1]=3 1574 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,1,0,0,0,0|1,0,1]=3 1575 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,1,0,0,0,0|1,0,1]=3 1576 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,1,0,0,0,0|1,0,1]=3 1577 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,1,0,0,0,0|1,0,1]=3 1578 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,1,0,0,0,0|1,0,1]=3 1579 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,1,0,0,0,0|1,0,1]=3 1580 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,1,0,0,0,0|1,0,1]=3 1581 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,1,0,0,0,0|1,0,1]=3 1582 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,1,0,0,0,0|1,0,1]=3 1583 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,1,0,0,0,0|1,0,1]=3 1584 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,1,0,0,0,0|1,0,1]=3 1585 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,1,0,0,0,0|1,0,1]=3 1586 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,1,0,0,0,0|1,0,1]=3 1587 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,1,0,0,0,0|1,0,1]=3 1588 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,1,0,0,0,0|1,0,1]=3 1589 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,1,0,0,0,0|1,0,2]=4 1590 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,1,0,0,0,0|1,0,2]=4 1591 B8R0.4 OCCOCC#CCCl 34a_200000047223_100000211926 [0,1,0,0,0,0|1,0,2]=4 1592 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,1,0,0,0,0|1,0,2]=4 1593 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,1,0,0,0,0|1,0,2]=4 1594 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,1,0,0,0,0|1,0,2]=4 1595 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,1,0,0,0,0|1,0,2]=4 1596 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,1,0,0,0,0|1,0,2]=4 1597 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,1,0,0,0,0|1,0,2]=4 1598 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [0,1,0,0,0,0|2,0,1]=4 1599 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [0,1,0,0,0,0|2,0,1]=4 1600 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [0,1,0,0,0,0|2,0,1]=4 1601 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,1,0,0,0,0|1,0,2]=4 1602 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,1,0,0,0,0|1,0,2]=4 1603 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,1,0,0,0,0|0,0,2]=3 1604 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,1,0,0,0,0|0,0,2]=3 1605 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,1,0,0,0,0|1,0,2]=4 1606 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,1,0,0,0,0|1,0,2]=4 1607 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,1,0,0,0,0|1,0,2]=4 1608 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,1,0,0,0,0|1,0,2]=4 1609 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,1,0,0,0,0|1,0,2]=4 1610 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,1,0,0,0,0|1,0,2]=4 1611 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,1,0,0,0,0|1,0,2]=4 1612 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,1,0,0,0,0|1,0,2]=4 1613 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,1,0,0,0,0|1,0,2]=4 1614 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,1,0,0,0,0|0,0,2]=3 1615 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,1,0,0,0,0|0,0,2]=3 1616 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|1,0,2]=4 1617 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,0,0,0,0|0,0,3]=4 1618 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|1,0,2]=4 1619 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|1,0,2]=4 1620 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1621 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1622 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1623 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1624 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [0,1,0,0,0,0|1,0,2]=4 1625 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [0,1,0,0,0,0|1,0,2]=4 1626 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [0,1,0,0,0,0|1,0,2]=4 1627 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [0,1,0,0,0,0|1,0,2]=4 1628 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|1,0,2]=4 1629 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,0,0,0,0|0,0,3]=4 1630 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,0,0,0,0|1,0,2]=4 1631 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|1,0,2]=4 1632 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|1,0,2]=4 1633 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1634 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1635 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1636 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1637 B8R0.6 CC(=NNCCO)CF 4a_100000210001_100000039719 [0,1,0,0,0,0|3,0,0]=4 1638 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [0,1,0,0,0,0|3,0,0]=4 1639 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,1,0,0,0,0|2,0,1]=4 1640 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,1,0,0,0,0|2,0,1]=4 1641 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|2,0,1]=4 1642 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,1,0,0,0,0|2,0,1]=4 1643 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,1,0,0,0,0|2,0,1]=4 1644 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,1,0,0,0,0|2,0,1]=4 1645 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,0,0,0,0|2,0,1]=4 1646 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|1,0,1]=3 1647 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|1,0,1]=3 1648 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|2,0,1]=4 1649 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 1650 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 1651 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 1652 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|1,0,1]=3 1653 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|0,0,1]=2 1654 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,1,0,0,0,0|2,0,0]=3 1655 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,1,0,0,0,0|2,0,0]=3 1656 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [0,1,0,0,0,0|1,0,2]=4 1657 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [0,1,0,0,0,0|1,0,2]=4 1658 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [0,1,0,0,0,0|1,0,2]=4 1659 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [0,1,0,0,0,0|1,0,2]=4 1660 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|0,0,3]=4 1661 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|2,0,1]=4 1662 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|0,0,3]=4 1663 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|1,0,2]=4 1664 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|1,0,2]=4 1665 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|1,0,1]=3 1666 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|0,0,1]=2 1667 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|0,0,1]=2 1668 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|2,0,1]=4 1669 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|2,0,1]=4 1670 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|2,0,1]=4 1671 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|2,0,1]=4 1672 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|1,0,1]=3 1673 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|1,0,1]=3 1674 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|2,0,1]=4 1675 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|2,0,1]=4 1676 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|1,0,1]=3 1677 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|1,0,1]=3 1678 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1679 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1680 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1681 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1682 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1684 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1685 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1686 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|1,0,0]=2 1687 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|1,0,0]=2 1688 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,0,0,0,0|3,0,0]=4 1689 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,0,0,0,0|3,0,0]=4 1690 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,0,0,0,0|3,0,0]=4 1691 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,0,0,0,0|3,0,0]=4 1692 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,0,0,0,0|3,0,0]=4 1693 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,0,0,0,0|3,0,0]=4 1694 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,0,0,0,0|3,0,0]=4 1695 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,0,0,0,0|3,0,0]=4 1696 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,0,0,0,0|3,0,0]=4 1697 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|3,0,0]=4 1698 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|3,0,0]=4 1699 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|3,0,0]=4 1700 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|3,0,0]=4 1701 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|2,0,0]=3 1702 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,0,0,0,0|3,0,0]=4 1703 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,0,0,0,0|3,0,0]=4 1704 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,1,0,0,0,0|1,0,2]=4 1705 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,1,0,0,0,0|1,0,2]=4 1706 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,1,0,0,0,0|1,0,2]=4 1707 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,1,0,0,0,0|1,0,2]=4 1708 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,0,0,0,0|1,0,2]=4 1709 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,0,0,0,0|1,0,2]=4 1710 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,1,0,0,0,0|2,0,1]=4 1711 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,1,0,0,0,0|2,0,1]=4 1712 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,1,0,0,0,0|2,0,1]=4 1713 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,1,0,0,0,0|1,0,1]=3 1714 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,1,0,0,0,0|2,0,1]=4 1715 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,1,0,0,0,0|2,0,1]=4 1716 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,1,0,0,0,0|2,0,1]=4 1717 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,1,0,0,0,0|2,0,1]=4 1718 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,1,0,0,0,0|2,0,1]=4 1719 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,0,0,0,0|1,0,1]=3 1720 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,1,0,0,0,0|2,0,1]=4 1721 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,1,0,0,0,0|2,0,1]=4 1722 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,0,0,0,0|1,0,1]=3 1723 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,0,0,0,0|1,0,1]=3 1724 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,0,0,0,0|1,0,2]=4 1725 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,0,0,0,0|1,0,2]=4 1726 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,0,0,0,0|1,0,2]=4 1727 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,0,0,0,0|1,0,2]=4 1728 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,0,0,0,0|1,0,2]=4 1729 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [0,1,0,0,0,0|3,0,0]=4 1730 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|1,0,2]=4 1731 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|1,0,1]=3 1732 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|2,0,1]=4 1733 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|2,0,1]=4 1734 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 1735 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 1736 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|1,0,1]=3 1737 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|1,0,1]=3 1738 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|2,0,1]=4 1739 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|0,0,3]=4 1740 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|2,0,1]=4 1741 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|2,0,1]=4 1742 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|2,0,1]=4 1743 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|2,0,1]=4 1744 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,0,0,0,0|2,0,1]=4 1745 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,0,0,0,0|2,0,1]=4 1746 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,0,0,0,0|2,0,1]=4 1747 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,0,0,0,0|2,0,1]=4 1748 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1749 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1750 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1751 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1752 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|3,0,0]=4 1753 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|3,0,0]=4 1754 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|3,0,0]=4 1755 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|3,0,0]=4 1756 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|3,0,0]=4 1757 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|3,0,0]=4 1758 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|3,0,0]=4 1759 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|3,0,0]=4 1760 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,1,0,0,0,0|2,0,1]=4 1761 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,1,0,0,0,0|2,0,1]=4 1762 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,1,0,0,0,0|2,0,1]=4 1763 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,1,0,0,0,0|1,0,2]=4 1764 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,1,0,0,0,0|1,0,2]=4 1765 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,1,0,0,0,0|1,0,2]=4 1766 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,0,0,0,0|2,0,1]=4 1767 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,0,0,0,0|2,0,1]=4 1768 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,0,0,0,0|2,0,1]=4 1769 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,1,0,0,0,0|1,0,2]=4 1770 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,1,0,0,0,0|1,0,2]=4 1771 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|2,0,1]=4 1772 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|2,0,1]=4 1773 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,0,0,0,0|1,0,2]=4 1774 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,0,0,0,0|1,0,2]=4 1775 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,0,0,0,0|1,0,2]=4 1776 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,1,0,0,0,0|2,0,1]=4 1777 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,1,0,0,0,0|2,0,1]=4 1778 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,1,0,0,0,0|1,0,1]=3 1779 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,0,0,0,0|2,0,1]=4 1780 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,1,0,0,0,0|1,0,1]=3 1781 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,0,0,0,0|1,0,1]=3 1782 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|3,0,0]=4 1783 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|2,0,1]=4 1784 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|2,0,1]=4 1785 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,0,0,0,0|2,0,1]=4 1786 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,1,0,0,0,0|2,0,1]=4 1787 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,1,0,0,0,0|2,0,1]=4 1788 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,0,0,0,0|2,0,1]=4 1789 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,0,0,0,0|1,0,1]=3 1790 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,0,0,0,0|2,0,1]=4 1791 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,0,0,0,0|2,0,1]=4 1792 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,0,0,0,0|1,0,1]=3 1793 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,1,0,0,0,0|2,0,1]=4 1794 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,0,0,0,0|1,0,1]=3 1795 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,1,0,0,0,0|2,0,1]=4 1796 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|2,0,1]=4 1797 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|2,0,1]=4 1798 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|2,0,1]=4 1799 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|2,0,1]=4 1800 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|2,0,1]=4 1801 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|2,0,1]=4 1802 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|2,0,1]=4 1803 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,0,0,0,0|1,0,1]=3 1804 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,0,0,0,0|1,0,1]=3 1805 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|2,0,1]=4 1806 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|2,0,1]=4 1807 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,0,0,0,0|1,0,1]=3 1808 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,0,0,0,0|1,0,1]=3 1809 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,0,0,0,0|2,0,1]=4 1810 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,0,0,0,0|2,0,1]=4 1811 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,0,0,0,0|1,0,1]=3 1812 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,0,0,0,0|1,0,1]=3 1813 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,1,0,0,0,0|2,0,1]=4 1814 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,1,0,0,0,0|2,0,1]=4 1815 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,1,0,0,0,0|1,0,1]=3 1816 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,1,0,0,0,0|1,0,1]=3 1817 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,1,0,0,0,0|1,0,1]=3 1818 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,1,0,0,0,0|1,0,1]=3 1819 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,1,0,0,0,0|1,0,1]=3 1820 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,1,0,0,0,0|1,0,1]=3 1821 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,1,0,0,0,0|1,0,1]=3 1822 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,1,0,0,0,0|1,0,1]=3 1823 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|2,0,1]=4 1824 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,1,0,0,0,0|1,0,1]=3 1825 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,1,0,0,0,0|1,0,1]=3 1826 B8R0.6 CCNN=CC(O)CO 4a_100000756455_100000033539 [0,1,0,0,0,0|2,0,1]=4 1827 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|2,0,1]=4 1828 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|2,0,1]=4 1829 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|2,0,1]=4 1830 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|1,0,2]=4 1831 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1832 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,1,0,0,0,0|2,0,1]=4 1833 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,1,0,0,0,0|2,0,1]=4 1834 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,1,0,0,0,0|2,0,1]=4 1835 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|2,0,1]=4 1836 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|2,0,1]=4 1837 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|1,0,2]=4 1838 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,1,0,0,0,0|1,0,2]=4 1839 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,1,0,0,0,0|1,0,2]=4 1840 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,0,0,0,0|1,0,2]=4 1841 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,0,0,0,0|1,0,2]=4 1842 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,0,0,0,0|1,0,2]=4 1843 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,1,0,0,0,0|2,0,1]=4 1844 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|1,0,1]=3 1845 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|2,0,1]=4 1846 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|2,0,1]=4 1847 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|2,0,1]=4 1848 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|2,0,1]=4 1849 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|2,0,1]=4 1850 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|2,0,1]=4 1851 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,0,1]=4 1852 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,0,1]=4 1853 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,0,0,0,0|3,0,0]=4 1854 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,0,0,0,0|3,0,0]=4 1855 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,0,0,0,0|3,0,0]=4 1856 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,0,0,0,0|3,0,0]=4 1857 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,0,0,0,0|3,0,0]=4 1858 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,0,0,0,0|3,0,0]=4 1859 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 1860 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|2,0,0]=3 1861 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 1862 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|2,0,0]=3 1863 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,1,0,0,0,0|3,0,0]=4 1864 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,1,0,0,0,0|3,0,0]=4 1865 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|2,0,1]=4 1866 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|2,0,1]=4 1867 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|2,0,1]=4 1868 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|2,0,1]=4 1869 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,1,0,0,0,0|2,0,1]=4 1870 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,1,0,0,0,0|2,0,1]=4 1871 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,1,0,0,0,0|2,0,1]=4 1872 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,1,0,0,0,0|2,0,1]=4 1873 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,1,0,0,0,0|2,0,1]=4 1874 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,1,0,0,0,0|2,0,1]=4 1875 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,1,0,0,0,0|2,0,1]=4 1876 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,1,0,0,0,0|2,0,1]=4 1877 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,1,0,0,0,0|2,0,1]=4 1878 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,1,0,0,0,0|2,0,1]=4 1879 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,1,0,0,0,0|2,0,1]=4 1880 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,1,0,0,0,0|2,0,1]=4 1881 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,1,0,0,0,0|2,0,1]=4 1882 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,1,0,0,0,0|2,0,1]=4 1883 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,1,0,0,0,0|2,0,1]=4 1884 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,1,0,0,0,0|2,0,1]=4 1885 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,1,0,0,0,0|2,0,1]=4 1886 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,1,0,0,0,0|2,0,1]=4 1887 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,1,0,0,0,0|2,0,1]=4 1888 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,1,0,0,0,0|2,0,1]=4 1889 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,1,0,0,0,0|2,0,1]=4 1890 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,1,0,0,0,0|2,0,1]=4 1891 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,1,0,0,0,0|2,0,1]=4 1892 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,1,0,0,0,0|2,0,1]=4 1893 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,1,0,0,0,0|2,0,1]=4 1894 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,0,0,0,0|2,0,1]=4 1895 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,0,0,0,0|2,0,1]=4 1896 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,1,0,0,0,0|2,0,1]=4 1897 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,0,0,0,0|2,0,1]=4 1898 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,0,0,0,0|2,0,1]=4 1899 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,1,0,0,0,0|2,0,1]=4 1900 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,1,0,0,0,0|2,0,1]=4 1901 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|1,0,1]=3 1902 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,0,0,0,0|2,0,1]=4 1903 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|2,0,1]=4 1904 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|1,0,1]=3 1905 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|3,0,0]=4 1906 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|3,0,0]=4 1907 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 1908 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 1909 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,0,0,0,0|3,0,0]=4 1910 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,1,0,0,0,0|2,0,1]=4 1911 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,1,0,0,0,0|2,0,1]=4 1912 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,1,0,0,0,0|2,0,1]=4 1913 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,1,0,0,0,0|2,0,1]=4 1914 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,1,0,0,0,0|2,0,1]=4 1915 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,1,0,0,0,0|2,0,1]=4 1916 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,1,0,0,0,0|2,0,1]=4 1917 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,1,0,0,0,0|2,0,1]=4 1918 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,1,0,0,0,0|2,0,1]=4 1919 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,1,0,0,0,0|2,0,1]=4 1920 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,0,0,0,0|2,0,1]=4 1921 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,0,0,0,0|2,0,1]=4 1922 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,0,0,0,0|2,0,1]=4 1923 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,0,0,0,0|2,0,1]=4 1924 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,1,0,0,0,0|2,0,1]=4 1925 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,1,0,0,0,0|2,0,1]=4 1926 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,1,0,0,0,0|2,0,1]=4 1927 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,1,0,0,0,0|2,0,1]=4 1928 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,1,0,0,0,0|2,0,1]=4 1929 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,1,0,0,0,0|2,0,1]=4 1930 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [0,1,0,0,0,0|1,0,2]=4 1931 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [0,1,0,0,0,0|1,0,2]=4 1932 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [0,1,0,0,0,0|1,0,2]=4 1933 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,1,0,0,0,0|1,0,2]=4 1934 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,1,0,0,0,0|1,0,2]=4 1935 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,1,0,0,0,0|1,0,2]=4 1936 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,1,0,0,0,0|1,0,2]=4 1937 B8R0.7 C=C(C)C=NNCCO 4a_100000210001_100000210575 [0,1,0,0,0,0|2,0,1]=4 1938 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,1,0,0,0,0|1,0,2]=4 1939 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,0,0,0,0|1,0,2]=4 1940 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,0,0,0,0|1,0,2]=4 1941 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,1,0,0,0,0|1,0,2]=4 1942 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,1,0,0,0,0|1,0,2]=4 1943 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,1,0,0,0,0|1,0,2]=4 1944 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [0,1,0,0,0,0|1,0,2]=4 1945 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,1,0,0,0,0|1,0,2]=4 1946 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [0,1,0,0,0,0|1,0,2]=4 1947 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,0,0,0,0|0,0,3]=4 1948 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,0,0,0,0|0,0,3]=4 1949 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,0,0,0,0|1,0,2]=4 1950 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,0,0,0,0|1,0,2]=4 1951 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,0,0,0,0|1,0,2]=4 1952 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,1,0,0,0,0|1,0,2]=4 1953 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [0,1,0,0,0,0|2,0,1]=4 1954 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,1,0,0,0,0|1,0,1]=3 1955 B8R0.7 CC(C)C=NNCCO 4a_100000210001_100000210432 [0,1,0,0,0,0|2,0,0]=3 1956 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|1,0,2]=4 1957 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|1,0,2]=4 1958 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|1,0,2]=4 1959 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|1,0,2]=4 1960 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|1,0,2]=4 1961 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|1,0,2]=4 1962 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|1,0,2]=4 1963 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 1964 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,1,0,0,0,0|2,0,1]=4 1965 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,1,0,0,0,0|2,0,1]=4 1966 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 1967 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,1,0,0,0,0|2,0,1]=4 1968 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|1,0,1]=3 1969 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|1,0,1]=3 1970 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|1,0,1]=3 1971 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,1,0,0,0,0|2,0,1]=4 1972 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,1,0,0,0,0|2,0,1]=4 1973 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,1,0,0,0,0|2,0,1]=4 1974 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,1,0,0,0,0|2,0,1]=4 1975 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,1,0,0,0,0|2,0,1]=4 1976 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|1,0,1]=3 1977 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|2,0,1]=4 1978 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|2,0,1]=4 1979 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|1,0,1]=3 1980 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|1,0,1]=3 1981 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 1982 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 1983 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,1,0,0,0,0|1,0,1]=3 1984 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,1,0,0,0,0|1,0,1]=3 1985 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,1,0,0,0,0|1,0,1]=3 1986 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,1,0,0,0,0|1,0,1]=3 1987 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,1,0,0,0,0|2,0,1]=4 1988 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 1989 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 1990 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,1,0,0,0,0|2,0,1]=4 1991 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 1992 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 1993 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,1,0,0,0,0|2,0,1]=4 1994 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 1995 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,1,0,0,0,0|1,0,1]=3 1996 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [0,1,0,0,0,0|2,0,1]=4 1997 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [0,1,0,0,0,0|2,0,1]=4 1998 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [0,1,0,0,0,0|2,0,1]=4 1999 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [0,1,0,0,0,0|2,0,1]=4 2000 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,1,0,0,0,0|2,0,1]=4 2001 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,1,0,0,0,0|2,0,1]=4 2002 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,1,0,0,0,0|1,0,1]=3 2003 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,1,0,0,0,0|1,0,1]=3 2004 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [0,1,0,0,0,0|2,0,1]=4 2005 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,1,0,0,0,0|1,0,1]=3 2006 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,1,0,0,0,0|2,0,1]=4 2007 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,1,0,0,0,0|2,0,1]=4 2008 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,1,0,0,0,0|2,0,1]=4 2009 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,1,0,0,0,0|2,0,1]=4 2010 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,1,0,0,0,0|1,0,2]=4 2011 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,1,0,0,0,0|1,0,2]=4 2012 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,1,0,0,0,0|1,0,2]=4 2013 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,1,0,0,0,0|2,0,1]=4 2014 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,0,0,0,0|2,0,1]=4 2015 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,1,0,0,0,0|2,0,1]=4 2016 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,1,0,0,0,0|2,0,1]=4 2017 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,0,0,0,0|1,0,2]=4 2018 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,0,0,0,0|1,0,2]=4 2019 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,1,0,0,0,0|2,0,1]=4 2020 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,1,0,0,0,0|2,0,1]=4 2021 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,1,0,0,0,0|2,0,1]=4 2022 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,1,0,0,0,0|2,0,1]=4 2023 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,0,0,0,0|1,0,1]=3 2024 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|1,0,1]=3 2025 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,1,0,0,0,0|2,0,1]=4 2026 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,1,0,0,0,0|2,0,1]=4 2027 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,1,0,0,0,0|2,0,1]=4 2028 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,1,0,0,0,0|2,0,1]=4 2029 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,1,0,0,0,0|2,0,1]=4 2030 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,1,0,0,0,0|2,0,1]=4 2031 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,0,0,0,0|1,0,1]=3 2032 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,0,0,0,0|1,0,1]=3 2033 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,0,0,0,0|0,0,2]=3 2034 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [0,1,0,0,0,0|2,0,0]=3 2035 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [0,1,0,0,0,0|2,0,0]=3 2036 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [0,1,0,0,0,0|2,0,0]=3 2037 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [0,1,0,0,0,0|2,0,0]=3 2038 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [0,1,0,0,0,0|2,0,0]=3 2039 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [0,1,0,0,0,0|2,0,0]=3 2040 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [0,1,0,0,0,0|2,0,0]=3 2041 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [0,1,0,0,0,0|2,0,0]=3 2042 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [0,1,0,0,0,0|1,0,2]=4 2043 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [0,1,0,0,0,0|1,0,2]=4 2044 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,1,0,0,0,0|1,0,2]=4 2045 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,1,0,0,0,0|1,0,2]=4 2046 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,1,0,0,0,0|1,0,2]=4 2047 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,1,0,0,0,0|1,0,2]=4 2048 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [0,1,0,0,0,0|2,0,0]=3 2049 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,0,0,0,0|1,0,1]=3 2050 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,0,0,0,0|1,0,1]=3 2051 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,0,0,0,0|2,0,1]=4 2052 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,0,0,0,0|2,0,1]=4 2053 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,0,0,0,0|2,0,1]=4 2054 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 2055 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,0,0,0,0|2,0,1]=4 2056 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 2057 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,0,0,0,0|2,0,1]=4 2058 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,0,0,0,0|2,0,1]=4 2059 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,1,0,0,0,0|2,0,1]=4 2060 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,1,0,0,0,0|2,0,1]=4 2061 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,1,0,0,0,0|2,0,1]=4 2062 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,1,0,0,0,0|2,0,1]=4 2063 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,1,0,0,0,0|2,0,1]=4 2064 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,0,0,0,0|1,0,2]=4 2065 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,0,0,0,0|1,0,2]=4 2066 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,0,0,0,0|1,0,2]=4 2067 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,0,0,0,0|1,0,2]=4 2068 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,0,0,0,0|1,0,2]=4 2069 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,0,0,0,0|1,0,2]=4 2070 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,1,0,0,0,0|2,0,1]=4 2071 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,1,0,0,0,0|2,0,1]=4 2072 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,1,0,0,0,0|2,0,1]=4 2073 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,1,0,0,0,0|2,0,1]=4 2074 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,1,0,0,0,0|2,0,1]=4 2075 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,0,0,0,0|1,0,2]=4 2076 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,0,0,0,0|1,0,2]=4 2077 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,1,0,0,0,0|2,0,1]=4 2078 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,1,0,0,0,0|2,0,1]=4 2079 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,0,0,0,0|1,0,2]=4 2080 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,0,0,0,0|1,0,2]=4 2081 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|2,0,1]=4 2082 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|2,0,1]=4 2083 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,0,0,0,0|1,0,2]=4 2084 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,0,0,0,0|1,0,2]=4 2085 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,0,0,0,0|1,0,2]=4 2086 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,0,0,0,0|1,0,2]=4 2087 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,1,0,0,0,0|2,0,1]=4 2088 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,0,0,0,0|1,0,1]=3 2089 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [0,1,0,0,0,0|3,0,0]=4 2090 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,1,0,0,0,0|2,0,1]=4 2091 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,1,0,0,0,0|2,0,1]=4 2092 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,1,0,0,0,0|2,0,1]=4 2093 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,1,0,0,0,0|2,0,1]=4 2094 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,0,0,0,0|1,0,1]=3 2095 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [0,1,0,0,0,0|2,0,1]=4 2096 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,1,0,0,0,0|2,0,1]=4 2097 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|2,0,1]=4 2098 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|2,0,1]=4 2099 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,0,0,0,0|1,0,1]=3 2100 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,0,0,0,0|1,0,1]=3 2101 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,0,0,0,0|2,0,1]=4 2102 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,0,0,0,0|2,0,1]=4 2103 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,0,0,0,0|2,0,1]=4 2104 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,0,0,0,0|1,0,1]=3 2105 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,0,0,0,0|2,0,1]=4 2106 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,0,0,0,0|2,0,1]=4 2107 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,0,0,0,0|2,0,1]=4 2108 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,0,0,0,0|1,0,1]=3 2109 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,1,0,0,0,0|2,0,1]=4 2110 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,1,0,0,0,0|2,0,1]=4 2111 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,1,0,0,0,0|2,0,1]=4 2112 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,1,0,0,0,0|2,0,1]=4 2113 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,0,0,0,0|2,0,1]=4 2114 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,0,0,0,0|2,0,1]=4 2115 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,1,0,0,0,0|1,0,1]=3 2116 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,1,0,0,0,0|1,0,1]=3 2117 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,1,0,0,0,0|1,0,2]=4 2118 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,1,0,0,0,0|1,0,2]=4 2119 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,1,0,0,0,0|1,0,2]=4 2120 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,1,0,0,0,0|1,0,2]=4 2121 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,1,0,0,0,0|1,0,2]=4 2122 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,1,0,0,0,0|1,0,2]=4 2123 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,1,0,0,0,0|2,0,1]=4 2124 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,1,0,0,0,0|2,0,1]=4 2125 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,1,0,0,0,0|2,0,1]=4 2126 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,1,0,0,0,0|2,0,1]=4 2127 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,1,0,0,0,0|2,0,1]=4 2128 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,1,0,0,0,0|2,0,1]=4 2129 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [0,1,0,0,0,0|2,0,1]=4 2130 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,1,0,0,0,0|1,0,1]=3 2131 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|1,0,2]=4 2132 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [0,1,0,0,0,0|2,0,1]=4 2133 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,1,0,0,0,0|1,0,1]=3 2134 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,1,0,0,0,0|2,0,1]=4 2135 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,1,0,0,0,0|2,0,1]=4 2136 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,1,0,0,0,0|2,0,1]=4 2137 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,1,0,0,0,0|2,0,1]=4 2138 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,1,0,0,0,0|2,0,1]=4 2139 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,1,0,0,0,0|2,0,1]=4 2140 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,1,0,0,0,0|2,0,1]=4 2141 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,1,0,0,0,0|2,0,1]=4 2142 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,0,0,0,0|1,0,1]=3 2143 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,0,0,0,0|1,0,1]=3 2144 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [0,1,0,0,0,0|2,0,1]=4 2145 B8R0.7 OCCCOCC(F)F 34a_100000743014_100000230001 [0,1,0,0,0,0|2,0,1]=4 2146 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,1,0,0,0,0|2,0,1]=4 2147 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,1,0,0,0,0|2,0,1]=4 2148 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,0,0,0,0|0,0,3]=4 2149 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,0,0,1,0,0|2,0,0]=3 2150 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,0,0,1,0,0|2,0,0]=3 2151 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,0,0,1,0,0|2,0,0]=3 2152 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,0,0,1,0,0|2,0,0]=3 2153 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,0,0,1,0,0|1,0,2]=4 2154 B8R1.2 FCN1CC=CCC1 269982a_100000698166_100015361967 [0,0,0,1,0,0|2,0,0]=3 2155 B8R1.2 FCN1CC=CCC1 34a_100000698166_100015361967 [0,0,0,1,0,0|2,0,0]=3 2156 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,0,0,1,0,0|2,0,0]=3 2157 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,0,0,1,0,0|1,0,2]=4 2158 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,0,0,1,0,0|2,0,1]=4 2159 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,0,0,1,0,0|2,0,1]=4 2160 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,1,0,0|2,0,1]=4 2161 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,1,0,0|2,0,1]=4 2162 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,1,0,0|2,0,1]=4 2163 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,1,0,0|2,0,1]=4 2164 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 2165 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|2,0,1]=4 2166 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 2167 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,1,0,0|1,0,1]=3 2168 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,1,0,0|2,0,1]=4 2169 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,1,0,0|2,0,1]=4 2170 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,0,0,1,0,0|1,0,2]=4 2171 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,0,0,1,0,0|1,0,2]=4 2172 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,0,0,1,0,0|1,0,2]=4 2173 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,0,0,1,0,0|1,0,2]=4 2174 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,0,0,1,0,0|1,0,2]=4 2175 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,0,0,1,0,0|1,0,2]=4 2176 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,0,1,0,0|1,0,2]=4 2177 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,0,1,0,0|1,0,2]=4 2178 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,0,0,1,0,0|2,0,1]=4 2179 B8R1.8 OCCN1CC=CC1 269982a_100015195280_100000211926 [0,0,0,1,0,0|1,0,2]=4 2180 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,0,0,1,0,0|1,0,2]=4 2181 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,0,0,1,0,0|1,0,2]=4 2182 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,0,0,1,0,0|2,0,1]=4 2183 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,0,0,1,0,0|2,0,1]=4 2184 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,0,0,1,0,0|1,0,2]=4 2185 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,0,0,1,0,0|1,0,2]=4 2186 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,0,0,1,0,0|1,0,2]=4 2187 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,0,0,1,0,0|1,0,2]=4 2188 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,0,1,0,0|1,0,2]=4 2189 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,0,1,0,0|1,0,2]=4 2190 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,0,0,1,0,0|2,0,1]=4 2191 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,0,0,1,0,0|2,0,1]=4 2192 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,0,0,1,0,0|2,0,1]=4 2193 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 2194 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 2195 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,0,0,1,0,0|2,0,1]=4 2196 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,0,0,1,0,0|2,0,1]=4 2197 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,0,0,1,0,0|2,0,1]=4 2198 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,0,0,1,0,0|2,0,1]=4 2199 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,0,0,1,0,0|2,0,1]=4 2200 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,0,0,1,0,0|2,0,1]=4 2201 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,0,0,1,0,0|2,0,1]=4 2202 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,0,0,1,0,0|2,0,1]=4 2203 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,0,0,1,0,0|2,0,1]=4 2204 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,0,0,1,0,0|2,0,1]=4 2205 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,0,0,1,0,0|2,0,1]=4 2206 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,0,0,1,0,0|1,0,1]=3 2207 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,0,0,1,0,0|1,0,1]=3 2208 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,0,0,1,0,0|1,0,1]=3 2209 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,0,0,1,0,0|2,0,1]=4 2210 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,0,0,1,0,0|2,0,1]=4 2211 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,0,0,1,0,0|1,0,1]=3 2212 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,0,0,1,0,0|1,0,1]=3 2213 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,0,0,1,0,0|2,0,1]=4 2214 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,0,0,1,0,0|2,0,1]=4 2215 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,0,0,1,0,0|1,0,1]=3 2216 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,0,0,1,0,0|1,0,1]=3 2217 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [0,0,0,1,0,0|2,0,1]=4 2218 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [0,0,0,1,0,0|2,0,1]=4 2219 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [0,0,0,1,0,0|2,0,1]=4 2220 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [0,0,0,1,0,0|2,0,1]=4 2221 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [0,0,0,1,0,0|2,0,1]=4 2222 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,0,0,1,0,0|1,0,1]=3 2223 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [0,0,0,1,0,0|1,0,2]=4 2224 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [0,0,0,1,0,0|1,0,2]=4 2225 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [0,0,0,1,0,0|1,0,2]=4 2226 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [0,0,0,1,0,0|1,0,2]=4 2227 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,0,0,1,0,0|1,0,2]=4 2228 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,0,0,1,0,0|1,0,2]=4 2229 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|2,0,1]=4 2230 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|2,0,1]=4 2231 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|2,0,1]=4 2232 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|2,0,1]=4 2233 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|2,0,1]=4 2234 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,0,0,1,0,0|1,0,2]=4 2235 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,0,0,1,0,0|1,0,2]=4 2236 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,0,0,1,0,0|1,0,2]=4 2237 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,0,0,1,0,0|1,0,2]=4 2238 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,0,0,1,0,0|1,0,2]=4 2239 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,0,0,1,0,0|1,0,2]=4 2240 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,0,0,1,0,0|1,0,2]=4 2241 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,0,0,1,0,0|1,0,2]=4 2242 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,0,0,1,0,0|1,0,2]=4 2243 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,0,0,1,0,0|1,0,2]=4 2244 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,0,0,1,0,0|1,0,2]=4 2245 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,0,0,1,0,0|1,0,2]=4 2246 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,0,0,1,0,0|1,0,2]=4 2247 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,0,0,1,0,0|1,0,2]=4 2248 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,0,0,1,0,0|2,0,1]=4 2249 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,0,0,1,0,0|2,0,1]=4 2250 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [0,0,0,1,0,0|2,0,1]=4 2251 B8R1.36 BrCCOCC1CO1 34a_100000211926_102125554688 [0,0,0,1,0,0|2,0,1]=4 2252 B8R1.36 CCC=NNC1CC1 4a_100000701032_100000210100 [0,0,0,1,0,0|3,0,0]=4 2253 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [0,0,0,1,0,0|2,0,1]=4 2254 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [0,0,0,1,0,0|2,0,1]=4 2255 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [0,0,0,1,0,0|2,0,1]=4 2256 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [0,0,0,1,0,0|2,0,1]=4 2257 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [0,0,0,1,0,0|2,0,1]=4 2258 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [0,0,0,1,0,0|2,0,1]=4 2259 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [0,0,0,1,0,0|2,0,1]=4 2260 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [0,0,0,1,0,0|2,0,1]=4 2261 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,0,0,1,0,0|1,0,1]=3 2262 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,0,0,1,0,0|1,0,1]=3 2263 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [0,0,0,1,0,0|2,0,1]=4 2264 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [0,0,0,1,0,0|2,0,1]=4 2265 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,0,0,1,0,0|1,0,1]=3 2266 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,0,0,1,0,0|1,0,1]=3 2267 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,0,0,1,0,0|1,1,1]=4 2268 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,0,0,1,0,0|1,1,1]=4 2269 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,0,0,1,0,0|1,0,1]=3 2270 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,0,0,1,0,0|1,0,1]=3 2271 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,0,1,0,0|2,0,1]=4 2272 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,0,1,0,0|2,0,1]=4 2273 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [0,0,0,1,0,0|1,0,1]=3 2274 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 2275 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,0,0,1,0,0|2,0,1]=4 2276 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 2277 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [0,0,0,1,0,0|1,0,1]=3 2278 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [0,0,0,1,0,0|1,0,1]=3 2279 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,0,0,1,0,0|2,0,1]=4 2280 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,0,0,1,0,0|2,0,1]=4 2281 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [0,0,0,1,0,0|1,0,1]=3 2282 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [0,0,0,1,0,0|1,0,1]=3 2283 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [0,0,0,1,0,0|1,0,2]=4 2284 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [0,0,0,1,0,0|1,0,2]=4 2285 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [0,0,0,1,0,0|1,0,2]=4 2286 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [0,0,0,1,0,0|1,0,2]=4 2287 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [0,0,0,1,0,0|2,0,1]=4 2288 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [0,0,0,1,0,0|2,0,1]=4 2289 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [0,0,0,1,0,0|2,0,1]=4 2290 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [0,0,0,1,0,0|2,0,1]=4 2291 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,0,0,1,0,0|1,0,2]=4 2292 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,0,0,1,0,0|1,0,2]=4 2293 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [0,0,0,1,0,0|2,0,1]=4 2294 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [0,0,0,1,0,0|2,0,1]=4 2295 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [0,0,0,1,0,0|2,0,1]=4 2296 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [0,0,0,1,0,0|2,0,1]=4 2297 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [0,0,0,1,0,0|2,0,1]=4 2298 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [0,0,0,1,0,0|2,0,1]=4 2299 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [0,0,0,1,0,0|2,0,1]=4 2300 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [0,0,0,1,0,0|2,0,1]=4 2301 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [0,0,0,1,0,0|2,0,1]=4 2302 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [0,0,0,1,0,0|2,0,1]=4 2303 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [0,0,0,1,0,0|2,0,1]=4 2304 B8R1.36 FCCOC[C@@H]1CO1 34a_100000757423_100011217306 [0,0,0,1,0,0|2,0,1]=4 2305 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [0,0,0,1,0,0|2,0,1]=4 2306 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [0,0,0,1,0,0|2,0,1]=4 2307 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [0,0,0,1,0,0|2,0,1]=4 2308 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [0,0,0,1,0,0|2,0,1]=4 2309 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [0,0,0,1,0,0|2,0,1]=4 2310 B8R1.36 FCSCCC1CO1 62a_100000732470_100015361967 [0,0,0,1,0,0|2,0,1]=4 2311 B8R1.36 FCSCCC1CO1 62a_100015361967_100000732470 [0,0,0,1,0,0|2,0,1]=4 2312 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [0,0,0,1,0,0|2,0,1]=4 2313 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [0,0,0,1,0,0|2,0,1]=4 2314 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [0,0,0,1,0,0|1,0,1]=3 2315 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,0,0,1,0,0|1,0,1]=3 2316 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [0,0,0,1,0,0|1,0,2]=4 2317 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [0,0,0,1,0,0|1,0,2]=4 2318 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [0,0,0,1,0,0|1,0,2]=4 2319 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [0,0,0,1,0,0|1,0,2]=4 2320 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [0,0,0,1,0,0|1,0,2]=4 2321 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [0,0,0,1,0,0|2,0,1]=4 2322 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [0,0,0,1,0,0|2,0,1]=4 2323 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [0,0,0,1,0,0|1,0,2]=4 2324 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [0,0,0,1,0,0|2,0,1]=4 2325 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [0,0,0,1,0,0|1,0,2]=4 2326 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [0,0,0,1,0,0|1,0,2]=4 2327 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [0,0,0,1,0,0|2,0,1]=4 2328 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [0,0,0,1,0,0|2,0,1]=4 2329 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [0,0,0,1,0,0|2,0,1]=4 2330 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [0,0,0,1,0,0|2,0,1]=4 2331 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,0,0,1,0,0|1,0,2]=4 2332 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,0,0,1,0,0|1,0,2]=4 2333 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,0]=3 2334 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,0]=3 2335 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,0]=3 2336 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,0]=3 2337 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,0]=3 2338 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,0]=3 2339 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,0]=3 2340 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,0]=3 2341 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,0]=3 2342 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2343 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 2344 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 2345 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 2346 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2347 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 2348 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 2349 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 2350 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 2351 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 2352 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 2353 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 2354 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|2,0,0]=4 2355 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|2,0,0]=4 2356 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|2,0,0]=4 2357 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|2,0,0]=4 2358 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [2,0,0,0,0,0|2,0,0]=4 2359 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 2360 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 2361 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [2,0,0,0,0,0|2,0,0]=4 2362 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [2,0,0,0,0,0|2,0,0]=4 2363 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,0]=3 2364 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,0]=3 2365 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,0]=3 2366 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,0]=3 2367 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,0]=3 2368 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,0]=3 2369 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,0]=3 2370 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,0]=3 2371 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 2372 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 2373 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 2374 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 2375 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 2376 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 2377 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 2378 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 2379 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 2380 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,1]=4 2381 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 2382 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 2383 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 2384 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,1]=4 2385 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,1]=4 2386 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,1]=4 2387 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,1]=4 2388 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 2389 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,0]=3 2390 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,0]=3 2391 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 2392 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,0]=3 2393 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,0]=3 2394 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 2395 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 2396 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 2397 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 2398 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,0]=3 2399 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,0]=3 2400 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,0]=3 2401 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 2402 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 2403 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 2404 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 2405 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|2,0,0]=4 2406 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,0]=3 2407 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|2,0,0]=4 2408 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|2,0,0]=4 2409 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|2,0,0]=4 2410 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|2,0,0]=4 2411 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|2,0,0]=4 2412 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 2413 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 2414 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,0]=3 2415 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 2416 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|2,0,0]=4 2417 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|2,0,0]=4 2418 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|2,0,0]=4 2419 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|2,0,0]=4 2420 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 2421 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 2422 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 2423 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 2424 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 2425 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,0]=3 2426 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,0]=3 2427 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,0]=3 2428 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 2429 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 2430 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 2431 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 2432 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2433 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,0]=3 2434 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 2435 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 2436 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,0]=3 2437 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,0]=3 2438 B5R0.2 OCCNCF 34a_100016990907_100015361967 [2,0,0,0,0,0|2,0,0]=4 2439 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 2440 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|2,0,0]=4 2441 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 2442 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 2443 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 2444 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 2445 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 2446 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 2447 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 2448 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 2449 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,0]=3 2450 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,0]=3 2451 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,1,0,0,0,0|0,0,2]=4 2452 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|1,0,1]=4 2453 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|1,0,1]=4 2454 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|1,0,1]=4 2455 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,1]=3 2456 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,1]=4 2458 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|1,0,1]=4 2459 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|0,0,1]=3 2460 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,1,0,0,0,0|1,0,1]=4 2461 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|1,0,1]=4 2462 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|1,0,1]=4 2463 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 2464 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 2465 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [1,1,0,0,0,0|2,0,0]=4 2466 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|1,0,1]=4 2467 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|1,0,1]=4 2468 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|1,0,1]=4 2469 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,1]=3 2470 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|0,0,2]=4 2472 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,1,0,0,0,0|0,0,2]=4 2473 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|1,0,1]=4 2474 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|1,0,1]=4 2475 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|1,0,1]=4 2476 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|1,0,0]=3 2477 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,0,0]=2 2478 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|1,0,1]=4 2479 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|1,0,1]=4 2480 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|1,0,1]=4 2481 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|1,0,1]=4 2482 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|2,0,0]=4 2483 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|2,0,0]=4 2484 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|2,0,0]=4 2485 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 2486 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 2487 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 2488 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 2489 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 2490 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 2491 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|1,0,1]=4 2494 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,1]=4 2495 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,1]=4 2496 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,1]=4 2497 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|0,0,1]=3 2498 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,1]=4 2499 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,1]=4 2500 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 2501 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 2502 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|0,0,1]=3 2503 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|0,0,1]=3 2504 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,1]=4 2505 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,2]=4 2506 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,1]=4 2507 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 2508 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 2509 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 2510 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,1,0,0,0,0|1,0,1]=4 2511 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,1,0,0,0,0|1,0,1]=4 2512 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,1,0,0,0,0|1,0,1]=4 2513 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,1,0,0,0,0|1,0,1]=4 2514 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,1,0,0,0,0|1,0,1]=4 2515 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,1,0,0,0,0|1,0,1]=4 2516 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 2519 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 2520 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 2521 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 2522 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|2,0,0]=4 2523 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|2,0,0]=4 2524 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 2525 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 2526 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 2527 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 2528 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 2529 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 2530 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|1,0,1]=4 2531 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 2532 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 2533 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 2534 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|1,0,1]=4 2535 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|1,0,1]=4 2536 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|1,0,1]=4 2537 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 2538 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,0,1]=4 2539 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 2540 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 2541 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 2542 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|1,0,0]=3 2543 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|1,0,0]=3 2544 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|1,0,0]=3 2545 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|1,0,0]=3 2546 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|1,0,1]=4 2547 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|1,0,1]=4 2548 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|1,0,1]=4 2549 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,0]=3 2550 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,1,0,0,0,0|1,0,1]=4 2551 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,1,0,0,0,0|1,0,1]=4 2552 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,1,0,0,0,0|1,0,0]=3 2553 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|1,0,1]=4 2554 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|1,0,0]=3 2555 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,1,0,0,0,0|1,0,0]=3 2556 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,1,0,0,0,0|2,0,0]=4 2557 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,1,0,0,0,0|1,0,0]=3 2558 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,1,0,0,0,0|1,0,0]=3 2559 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|2,0,0]=4 2560 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|1,0,1]=4 2561 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|1,0,1]=4 2562 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 2563 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|2,0,0]=4 2564 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [1,1,0,0,0,0|2,0,0]=4 2565 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|1,0,1]=4 2566 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|1,0,0]=3 2567 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 2568 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 2569 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|1,0,0]=3 2570 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,1,0,0,0,0|2,0,0]=4 2571 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|1,0,0]=3 2572 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [1,1,0,0,0,0|2,0,0]=4 2573 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|1,0,1]=4 2574 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|1,0,1]=4 2575 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|1,0,1]=4 2576 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,1]=4 2577 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,1]=4 2578 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|1,0,1]=4 2579 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|1,0,1]=4 2580 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|1,0,0]=3 2581 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|1,0,0]=3 2582 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,1]=4 2583 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,1]=4 2584 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|1,0,0]=3 2585 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|1,0,0]=3 2586 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,1,0,0,0,0|2,0,0]=4 2587 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2588 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|1,0,0]=3 2589 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|1,0,0]=3 2590 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [1,1,0,0,0,0|2,0,0]=4 2591 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 2592 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 2593 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 2594 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 2595 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 2596 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 2597 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [1,1,0,0,0,0|2,0,0]=4 2598 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [1,1,0,0,0,0|2,0,0]=4 2599 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|2,0,0]=4 2600 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,0,0]=3 2601 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 2602 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 2603 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [1,1,0,0,0,0|2,0,0]=4 2604 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [1,1,0,0,0,0|2,0,0]=4 2605 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [1,1,0,0,0,0|2,0,0]=4 2606 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [1,1,0,0,0,0|2,0,0]=4 2607 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [1,1,0,0,0,0|2,0,0]=4 2608 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,1,0,0,0,0|2,0,0]=4 2609 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,1,0,0,0,0|2,0,0]=4 2610 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,1,0,0,0,0|2,0,0]=4 2611 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|2,0,0]=4 2612 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|2,0,0]=4 2613 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,1,0,0,0,0|1,0,1]=4 2614 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,1,0,0,0,0|1,0,1]=4 2615 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|1,0,1]=4 2616 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|1,0,1]=4 2617 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|1,0,1]=4 2618 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|2,0,0]=4 2619 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|2,0,0]=4 2620 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,1,0,0,0,0|2,0,0]=4 2621 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,1,0,0,0,0|2,0,0]=4 2622 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,1,0,0,0,0|2,0,0]=4 2623 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,1,0,0,0,0|2,0,0]=4 2624 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,1]=4 2625 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|0,0,1]=3 2626 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|0,0,1]=3 2627 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|1,0,1]=4 2628 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2629 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 2630 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 2631 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 2632 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 2633 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,0,0]=3 2634 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,0,0]=3 2635 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|2,0,0]=4 2636 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 2637 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,1,0,0,0,0|1,0,1]=4 2638 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,1,0,0,0,0|1,0,1]=4 2639 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,1,0,0,0,0|1,0,1]=4 2640 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,1,0,0,0,0|1,0,1]=4 2641 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,1,0,0,0,0|1,0,1]=4 2642 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|1,0,1]=4 2643 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|1,0,1]=4 2644 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|1,0,1]=4 2645 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,1,0,0,0,0|2,0,0]=4 2646 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,1,0,0,0,0|2,0,0]=4 2647 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,1,0,0,0,0|2,0,0]=4 2648 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,1,0,0,0,0|2,0,0]=4 2649 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,1,0,0,0,0|1,0,0]=3 2650 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,1,0,0,0,0|1,0,0]=3 2651 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|2,0,0]=4 2652 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|2,0,0]=4 2653 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|2,0,0]=4 2654 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|2,0,0]=4 2655 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|2,0,0]=4 2656 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|1,0,0]=3 2657 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,1,0,0,0,0|2,0,0]=4 2658 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,1,0,0,0,0|2,0,0]=4 2659 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,1,0,0,0,0|1,0,0]=3 2660 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,1,0,0,0,0|1,0,0]=3 2661 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|1,0,1]=4 2662 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 2663 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 2664 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,1,0,0,0,0|2,0,0]=4 2665 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,1,0,0,0,0|2,0,0]=4 2666 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 2667 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,1,0,0,0,0|1,0,1]=4 2668 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,1]=4 2669 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,1,0,0,0,0|1,0,1]=4 2670 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|1,0,1]=4 2671 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|1,0,1]=4 2672 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|0,0,1]=3 2673 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|0,0,1]=3 2674 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|0,0,1]=3 2675 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,1,0,0,0,0|1,0,0]=3 2676 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,1,0,0,0,0|1,0,0]=3 2677 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,1,0,0,0,0|2,0,0]=4 2678 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,1,0,0,0,0|2,0,0]=4 2679 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,1,0,0,0,0|2,0,0]=4 2680 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|2,0,0]=4 2681 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|2,0,0]=4 2682 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,1,0,0,0,0|2,0,0]=4 2683 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [1,1,0,0,0,0|2,0,0]=4 2684 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|0,0,1]=3 2685 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|0,0,1]=3 2686 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,1]=4 2687 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,1]=4 2688 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,1]=4 2689 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 2690 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 2691 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|2,0,0]=4 2692 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|2,0,0]=4 2693 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|1,0,1]=4 2694 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|1,0,1]=4 2695 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|1,0,1]=4 2696 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|1,0,1]=4 2697 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2698 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,1]=4 2699 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2700 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2701 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,1]=4 2702 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 2703 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|1,0,1]=4 2704 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 2705 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 2706 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 2707 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 2708 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|1,0,1]=4 2709 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|1,0,1]=4 2710 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|1,0,1]=4 2711 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|1,0,1]=4 2712 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 2713 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 2714 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|1,0,1]=4 2715 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|1,0,1]=4 2716 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|1,0,1]=4 2717 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|1,0,1]=4 2718 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|1,0,1]=4 2719 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|1,0,1]=4 2720 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|1,0,1]=4 2721 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|2,0,0]=4 2722 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|2,0,0]=4 2723 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|1,0,1]=4 2724 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|1,0,1]=4 2725 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|1,0,0]=3 2726 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|1,0,0]=3 2727 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [1,1,0,0,0,0|2,0,0]=4 2728 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2729 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2730 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2731 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|2,0,0]=4 2732 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 2733 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 2734 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,1]=4 2735 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 2736 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,0]=3 2737 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,1,0,0,0,0|2,0,0]=4 2738 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 2739 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|2,0,0]=4 2740 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|2,0,0]=4 2741 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,1]=4 2742 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,1]=4 2743 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|1,0,0]=3 2744 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|1,0,0]=3 2745 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,1,0,0,0,0|1,0,1]=4 2746 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,1,0,0,0,0|1,0,1]=4 2747 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,1,0,0,0,0|1,0,1]=4 2748 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,1,0,0,0,0|1,0,1]=4 2749 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,1,0,0,0,0|1,0,1]=4 2750 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,1,0,0,0,0|1,0,1]=4 2751 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 2752 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|2,0,0]=4 2753 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 2754 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 2755 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|1,0,1]=4 2756 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|1,0,1]=4 2757 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|1,0,1]=4 2758 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|1,0,1]=4 2759 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|2,0,0]=4 2760 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|1,0,1]=4 2761 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|2,0,0]=4 2762 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|2,0,0]=4 2763 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 2764 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 2765 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 2766 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 2767 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,1,0,0,0,0|1,0,1]=4 2768 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,1,0,0,0,0|1,0,1]=4 2769 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2770 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|1,0,1]=4 2771 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|0,0,1]=3 2772 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|1,0,1]=4 2773 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,1,0,0,0,0|2,0,0]=4 2774 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [1,1,0,0,0,0|2,0,0]=4 2775 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,1,0,0,0,0|0,0,2]=4 2776 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,1,0,0,0,0|0,0,2]=4 2777 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2778 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [1,1,0,0,0,0|2,0,0]=4 2779 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|0,0,1]=3 2780 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|1,0,1]=4 2781 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|0,0,1]=3 2782 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|1,0,1]=4 2783 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|1,0,1]=4 2784 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,1]=4 2785 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,1]=4 2786 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,1]=4 2787 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|0,0,1]=3 2788 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|1,0,1]=4 2789 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,0,1]=3 2790 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,0,1]=3 2791 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|1,0,1]=4 2792 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|1,0,1]=4 2793 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|1,0,1]=4 2794 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|1,0,1]=4 2795 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|1,0,1]=4 2796 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|1,0,1]=4 2797 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|1,0,1]=4 2798 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|1,0,1]=4 2799 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 2800 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 2801 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 2802 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|2,0,0]=4 2803 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|1,0,1]=4 2805 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|1,0,1]=4 2806 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 2807 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 2808 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 2809 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,1]=4 2810 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,1]=4 2811 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,1,0,0,0,0|1,0,1]=4 2813 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,1,0,0,0,0|1,0,1]=4 2814 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,1,0,0,0,0|1,0,1]=4 2815 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|1,0,1]=4 2816 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|1,0,1]=4 2817 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|1,0,1]=4 2818 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|1,0,1]=4 2819 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|1,0,1]=4 2820 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|1,0,1]=4 2821 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,1,0,0,0,0|1,0,1]=4 2822 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,1,0,0,0,0|1,0,1]=4 2823 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|1,0,1]=4 2824 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|1,0,1]=4 2825 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,0]=3 2826 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2827 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|2,0,0]=4 2828 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|2,0,0]=4 2829 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|2,0,0]=4 2830 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2831 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|2,0,0]=4 2832 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|2,0,0]=4 2833 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|2,0,0]=4 2834 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|2,0,0]=4 2835 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|2,0,0]=4 2836 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|2,0,0]=4 2837 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|2,0,0]=4 2838 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|2,0,0]=4 2839 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|2,0,0]=4 2840 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|2,0,0]=4 2841 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|2,0,0]=4 2842 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 2843 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 2844 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 2845 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|1,0,0]=3 2846 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 2847 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 2848 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|2,0,0]=4 2849 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|2,0,0]=4 2850 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|2,0,0]=4 2851 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|2,0,0]=4 2852 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|2,0,0]=4 2853 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|2,0,0]=4 2854 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|2,0,0]=4 2856 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,1,0,0,0,0|2,0,0]=4 2857 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|1,0,0]=3 2858 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|1,0,0]=3 2859 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2860 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,1,0,0,0,0|2,0,0]=4 2861 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|1,0,1]=4 2862 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,0,1]=4 2863 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [1,1,0,0,0,0|2,0,0]=4 2864 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,1,0,0,0,0|1,0,1]=4 2865 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,1,0,0,0,0|1,0,1]=4 2866 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,1,0,0,0,0|1,0,1]=4 2867 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|1,0,1]=4 2868 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|1,0,1]=4 2869 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,2,0,0,0,0|1,0,1]=4 2871 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,2,0,0,0,0|1,0,1]=4 2872 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,2,0,0,0,0|0,0,1]=3 2873 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,2,0,0,0,0|0,0,1]=3 2874 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,2,0,0,0,0|0,0,1]=3 2875 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,2,0,0,0,0|1,0,1]=4 2876 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,2,0,0,0,0|1,0,1]=4 2877 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,2,0,0,0,0|1,0,1]=4 2878 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,2,0,0,0,0|0,0,1]=3 2879 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,2,0,0,0,0|1,0,1]=4 2880 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,2,0,0,0,0|1,0,1]=4 2881 B9R0.4 CC(C)CN(C)CCCO 2230a_100000213112_100000210760 [0,2,0,0,0,0|1,0,1]=4 2882 B9R0.4 CC(C)CN(C)CCCO 2230a_100000747067_100000230001 [0,2,0,0,0,0|1,0,1]=4 2883 B9R0.4 CC(C)CN(C)CCCO 269982a_100000213112_100000210624 [0,2,0,0,0,0|1,0,1]=4 2884 B9R0.4 CC(C)CN(C)CCCO 269982a_100000747067_100011215043 [0,2,0,0,0,0|1,0,1]=4 2885 B9R0.4 CC(C)CN(C)CCCO 270004a_100000213112_100000210432 [0,2,0,0,0,0|1,0,1]=4 2886 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 2887 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 2888 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 2889 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [0,2,0,0,0,0|1,0,1]=4 2890 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [0,2,0,0,0,0|1,0,1]=4 2891 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [0,2,0,0,0,0|1,0,1]=4 2892 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [0,2,0,0,0,0|1,0,1]=4 2893 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|1,0,1]=4 2894 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|0,0,1]=3 2895 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,2,0,0,0,0|1,0,1]=4 2896 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|1,0,1]=4 2897 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|1,0,1]=4 2898 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|1,0,1]=4 2899 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|1,0,1]=4 2900 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|1,0,1]=4 2901 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|1,0,1]=4 2902 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|1,0,1]=4 2903 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2904 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2905 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2906 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2907 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,2,0,0,0,0|1,0,1]=4 2908 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,2,0,0,0,0|1,0,1]=4 2909 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,2,0,0,0,0|1,0,1]=4 2910 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|0,0,1]=3 2911 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,2,0,0,0,0|1,0,1]=4 2912 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [0,2,0,0,0,0|1,0,1]=4 2913 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [0,2,0,0,0,0|1,0,1]=4 2914 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,2,0,0,0,0|1,0,1]=4 2915 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,2,0,0,0,0|1,0,1]=4 2916 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [0,2,0,0,0,0|1,0,1]=4 2917 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [0,2,0,0,0,0|1,0,1]=4 2918 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,2,0,0,0,0|0,0,2]=4 2919 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,2,0,0,0,0|0,0,2]=4 2920 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [0,2,0,0,0,0|1,0,1]=4 2921 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,2,0,0,0,0|1,0,1]=4 2922 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,2,0,0,0,0|1,0,1]=4 2923 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,2,0,0,0,0|1,0,1]=4 2924 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 2925 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 2926 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 2927 B9R0.5 C#CCN(C)C/C=C\CC 2230a_100000225692_100103147603 [0,2,0,0,0,0|1,0,1]=4 2928 B9R0.5 C#CCN(C)C/C=C\CC 34a_100000225692_100103147603 [0,2,0,0,0,0|1,0,1]=4 2929 B9R0.5 C/C=C/C(C)OCCCO 34a_200102604097_100000230001 [0,2,0,0,0,0|0,0,2]=4 2930 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|0,0,2]=4 2931 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [0,2,0,0,0,0|0,0,2]=4 2932 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [0,2,0,0,0,0|0,0,2]=4 2933 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [0,2,0,0,0,0|0,0,2]=4 2934 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [0,2,0,0,0,0|0,0,2]=4 2935 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,2,0,0,0,0|1,0,1]=4 2936 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,2,0,0,0,0|1,0,1]=4 2937 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,2,0,0,0,0|0,0,2]=4 2938 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,2,0,0,0,0|0,0,2]=4 2939 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,2,0,0,0,0|1,0,1]=4 2940 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,2,0,0,0,0|1,0,1]=4 2941 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,2,0,0,0,0|1,0,1]=4 2942 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|1,0,1]=4 2943 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|1,0,1]=4 2944 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 2945 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 2946 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 2947 B9R0.5 C=CCN(C)C/C=C\CC 2230a_100000225617_100103147603 [0,2,0,0,0,0|1,0,1]=4 2948 B9R0.5 C=CCN(C)C/C=C\CC 269982a_100000225617_100103147603 [0,2,0,0,0,0|1,0,1]=4 2949 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,2,0,0,0,0|0,0,2]=4 2950 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,2,0,0,0,0|0,0,2]=4 2951 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [0,2,0,0,0,0|1,0,1]=4 2952 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [0,2,0,0,0,0|1,0,1]=4 2953 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [0,2,0,0,0,0|1,0,1]=4 2954 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [0,2,0,0,0,0|1,0,1]=4 2955 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [0,2,0,0,0,0|1,0,1]=4 2956 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [0,2,0,0,0,0|1,0,1]=4 2957 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [0,2,0,0,0,0|1,0,1]=4 2958 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [0,2,0,0,0,0|1,0,1]=4 2959 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [0,2,0,0,0,0|1,0,1]=4 2960 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [0,2,0,0,0,0|1,0,1]=4 2961 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [0,2,0,0,0,0|1,0,1]=4 2962 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [0,2,0,0,0,0|1,0,1]=4 2963 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|1,0,0]=3 2964 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|1,0,0]=3 2965 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|0,0,0]=2 2966 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 2967 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 2968 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 2969 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [0,2,0,0,0,0|1,0,1]=4 2970 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|1,0,0]=3 2971 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|0,0,0]=2 2972 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|0,0,1]=3 2973 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|0,1,1]=4 2974 B9R0.5 CC/C=C\CN(C)CC#N 2230a_100000748184_100103147603 [0,2,0,0,0,0|1,0,1]=4 2975 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [0,2,0,0,0,0|1,0,0]=3 2976 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [0,2,0,0,0,0|1,0,0]=3 2977 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [0,2,0,0,0,0|0,0,0]=2 2978 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [0,2,0,0,0,0|0,0,0]=2 2979 B9R0.5 CC=CC(=NNCCO)C 4a_100000210001_100011218416 [0,2,0,0,0,0|1,0,1]=4 2980 B9R0.5 CC=CC(=O)CC#CCO 1458a_100000210699_200000047223 [0,2,0,0,0,0|0,0,2]=4 2981 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,2,0,0,0,0|1,0,1]=4 2982 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|1,0,1]=4 2983 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|1,0,1]=4 2984 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|0,0,1]=3 2985 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,2,0,0,0,0|0,0,1]=3 2986 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|1,0,1]=4 2987 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|1,0,1]=4 2988 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,2,0,0,0,0|1,0,1]=4 2989 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,2,0,0,0,0|1,0,1]=4 2990 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,2,0,0,0,0|1,0,1]=4 2991 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 2992 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 2993 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 2994 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,2,0,0,0,0|0,0,1]=3 2995 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,2,0,0,0,0|1,0,1]=4 2996 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,2,0,0,0,0|1,0,1]=4 2997 B9R0.5 CC=CC(=O)NNCCO 22a_100000210001_100000210699 [0,2,0,0,0,0|1,0,1]=4 2998 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [0,2,0,0,0,0|0,0,2]=4 2999 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [0,2,0,0,0,0|0,0,2]=4 3000 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [0,2,0,0,0,0|0,0,2]=4 3001 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [0,2,0,0,0,0|0,0,2]=4 3002 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,2,0,0,0,0|0,0,2]=4 3003 B9R0.5 CCC#CCN(C)CCO 2230a_100000210263_100009813939 [0,2,0,0,0,0|0,0,2]=4 3004 B9R0.5 CCCC(=NNCCO)C 4a_100000210001_100000211909 [0,2,0,0,0,0|1,0,1]=4 3005 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|1,0,1]=4 3006 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|1,0,1]=4 3007 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,2,0,0,0,0|0,0,2]=4 3008 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,2,0,0,0,0|1,0,1]=4 3009 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,2,0,0,0,0|1,0,1]=4 3010 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|1,0,1]=4 3011 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|0,0,1]=3 3012 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|0,0,1]=3 3013 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|0,0,1]=3 3014 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|0,0,1]=3 3015 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|0,1,1]=4 3016 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|1,0,1]=4 3017 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|1,0,1]=4 3018 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|1,0,1]=4 3019 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|1,0,1]=4 3020 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|0,0,1]=3 3021 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|0,0,1]=3 3022 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|1,0,1]=4 3023 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|1,0,1]=4 3024 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|0,0,1]=3 3025 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|0,0,1]=3 3026 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|1,0,1]=4 3027 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|1,0,1]=4 3028 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|1,0,1]=4 3029 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|1,0,1]=4 3030 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|1,0,1]=4 3031 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|1,0,1]=4 3032 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|0,0,1]=3 3033 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|0,0,1]=3 3034 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|1,0,1]=4 3035 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|1,0,1]=4 3036 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|1,0,1]=4 3037 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,2,0,0,0,0|1,0,1]=4 3038 B9R0.5 CCCC(C)C=NNCC 4a_100000756455_100000243154 [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,2,0,0,0,0|0,0,2]=4 3040 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,2,0,0,0,0|0,0,2]=4 3041 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,2,0,0,0,0|0,0,2]=4 3042 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,2,0,0,0,0|0,0,2]=4 3043 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,2,0,0,0,0|0,0,2]=4 3044 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,2,0,0,0,0|0,0,2]=4 3045 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,2,0,0,0,0|0,0,2]=4 3046 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,2,0,0,0,0|0,0,2]=4 3047 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,2,0,0,0,0|0,0,2]=4 3048 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,2,0,0,0,0|0,0,2]=4 3049 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,2,0,0,0,0|0,0,2]=4 3050 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,2,0,0,0,0|0,0,2]=4 3051 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,2,0,0,0,0|0,0,2]=4 3052 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,2,0,0,0,0|0,0,2]=4 3053 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,2,0,0,0,0|0,0,2]=4 3054 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,2,0,0,0,0|0,0,2]=4 3055 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,2,0,0,0,0|0,0,2]=4 3056 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|1,0,1]=4 3057 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|1,0,1]=4 3058 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|0,0,1]=3 3059 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|1,0,1]=4 3060 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|1,0,1]=4 3061 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|1,0,1]=4 3062 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|1,0,1]=4 3063 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|1,0,1]=4 3064 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|0,0,2]=4 3065 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|0,0,2]=4 3066 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|1,0,1]=4 3067 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|1,0,1]=4 3068 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|1,0,1]=4 3070 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|1,0,1]=4 3071 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|1,0,1]=4 3072 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|1,0,1]=4 3073 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|1,0,1]=4 3074 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|1,0,1]=4 3075 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|1,0,1]=4 3076 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|1,0,1]=4 3077 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|1,0,1]=4 3078 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|1,0,1]=4 3079 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,2,0,0,0,0|0,0,2]=4 3080 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,2,0,0,0,0|0,0,2]=4 3081 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,2,0,0,0,0|0,0,2]=4 3082 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,2,0,0,0,0|0,0,2]=4 3083 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,2,0,0,0,0|0,0,2]=4 3084 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,2,0,0,0,0|0,0,2]=4 3085 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,2,0,0,0,0|0,0,2]=4 3086 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,2,0,0,0,0|0,0,2]=4 3087 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|1,0,1]=4 3088 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|1,0,1]=4 3089 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|1,0,1]=4 3090 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|1,0,1]=4 3091 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 3093 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3098 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,2,0,0,0,0|2,0,0]=4 3106 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 3111 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 3112 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,2,0,0,0,0|0,0,2]=4 3115 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,2,0,0,0,0|0,0,2]=4 3116 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,2,0,0,0,0|0,0,2]=4 3117 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,2,0,0,0,0|0,0,2]=4 3118 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|2,0,0]=4 3119 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|2,0,0]=4 3120 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|2,0,0]=4 3121 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|2,0,0]=4 3122 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|2,0,0]=4 3123 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|2,0,0]=4 3124 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|2,0,0]=4 3125 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,2,0,0,0,0|0,0,2]=4 3127 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,2,0,0,0,0|0,0,2]=4 3128 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,2,0,0,0,0|0,0,2]=4 3129 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,2,0,0,0,0|0,0,2]=4 3130 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,2,0,0,0,0|0,0,2]=4 3131 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,2,0,0,0,0|0,0,2]=4 3132 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,2,0,0,0,0|0,0,2]=4 3133 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,2,0,0,0,0|0,0,2]=4 3134 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,2,0,0,0,0|1,0,1]=4 3135 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,2,0,0,0,0|1,0,1]=4 3136 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,2,0,0,0,0|1,0,1]=4 3137 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,2,0,0,0,0|1,0,1]=4 3138 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,2,0,0,0,0|1,0,1]=4 3140 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,2,0,0,0,0|1,0,1]=4 3141 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|1,0,1]=4 3142 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|1,0,1]=4 3143 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 3144 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|2,0,0]=4 3148 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|1,0,1]=4 3152 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|1,0,1]=4 3153 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|1,0,1]=4 3154 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 3155 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 3157 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|2,0,0]=4 3158 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|2,0,0]=4 3159 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|2,0,0]=4 3160 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|2,0,0]=4 3161 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,2,0,0,0,0|1,0,1]=4 3162 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,2,0,0,0,0|1,0,1]=4 3163 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,2,0,0,0,0|0,0,2]=4 3164 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 3165 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 3166 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 3168 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 3169 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 3170 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|1,1,0]=4 3171 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|1,1,0]=4 3172 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|1,1,0]=4 3173 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|2,0,0]=4 3175 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|2,0,0]=4 3176 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|2,0,0]=4 3177 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|2,0,0]=4 3178 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|2,0,0]=4 3179 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|1,0,0]=3 3187 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|1,0,0]=3 3188 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|1,0,0]=3 3189 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 3191 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|2,0,0]=4 3192 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|2,0,0]=4 3194 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|1,0,0]=3 3196 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|2,0,0]=4 3198 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 3201 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 3203 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 3206 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|1,0,0]=3 3207 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 3208 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 3209 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|2,0,0]=4 3216 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|2,0,0]=4 3217 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|2,0,0]=4 3218 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|2,0,0]=4 3219 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|2,0,0]=4 3220 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|1,0,0]=3 3221 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|1,0,0]=3 3222 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|1,0,0]=3 3223 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|1,1,0]=4 3224 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|1,1,0]=4 3225 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|1,1,0]=4 3226 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|1,1,0]=4 3227 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|2,0,0]=4 3228 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|1,0,0]=3 3233 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|1,0,0]=3 3234 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|1,0,0]=3 3239 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 3240 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|2,0,0]=4 3241 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|2,0,0]=4 3242 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3243 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3244 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 3245 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 3246 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|1,0,1]=4 3247 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|0,0,1]=3 3248 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|1,0,1]=4 3249 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|1,0,1]=4 3250 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|2,0,0]=4 3251 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [0,2,0,0,0,0|1,0,1]=4 3252 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [0,2,0,0,0,0|1,0,1]=4 3253 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [0,2,0,0,0,0|1,0,1]=4 3254 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [0,2,0,0,0,0|1,0,1]=4 3255 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|1,0,1]=4 3256 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|1,0,1]=4 3257 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [0,2,0,0,0,0|1,0,1]=4 3258 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [0,2,0,0,0,0|1,0,1]=4 3259 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [0,2,0,0,0,0|1,0,1]=4 3260 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [0,2,0,0,0,0|1,0,1]=4 3261 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,2,0,0,0,0|1,0,1]=4 3262 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,2,0,0,0,0|1,0,1]=4 3263 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,2,0,0,0,0|1,0,1]=4 3264 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,2,0,0,0,0|1,0,1]=4 3265 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,2,0,0,0,0|2,0,0]=4 3266 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,2,0,0,0,0|2,0,0]=4 3267 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,2,0,0,0,0|2,0,0]=4 3268 B9R0.5 COCC(=NNCCO)C 4a_100000210001_100000749346 [0,2,0,0,0,0|2,0,0]=4 3269 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|1,0,1]=4 3270 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|0,0,1]=3 3271 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3272 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3273 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3274 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3275 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 3276 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 3277 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,2,0,0,0,0|2,0,0]=4 3278 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [0,2,0,0,0,0|1,0,1]=4 3279 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [0,2,0,0,0,0|1,0,1]=4 3280 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [0,2,0,0,0,0|1,0,1]=4 3281 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|1,0,1]=4 3282 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|0,0,1]=3 3283 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,2,0,0,0,0|1,0,1]=4 3284 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,2,0,0,0,0|1,0,1]=4 3285 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,2,0,0,0,0|1,0,1]=4 3286 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|1,0,1]=4 3287 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|1,0,1]=4 3288 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|1,0,1]=4 3289 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|1,0,1]=4 3290 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|1,0,1]=4 3291 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [0,2,0,0,0,0|1,0,1]=4 3292 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [0,2,0,0,0,0|1,0,1]=4 3293 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [0,2,0,0,0,0|1,0,1]=4 3294 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,2,0,0,0,0|1,0,1]=4 3295 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [0,2,0,0,0,0|1,0,1]=4 3296 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [0,2,0,0,0,0|1,0,1]=4 3297 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,2,0,0,0,0|1,0,1]=4 3298 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,2,0,0,0,0|1,0,1]=4 3299 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [0,2,0,0,0,0|1,0,1]=4 3300 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,2,0,0,0,0|1,0,1]=4 3301 B9R0.5 CSCC(=NNCCO)C 4a_100000210001_100011216314 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|1,0,1]=4 3303 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|0,0,1]=3 3304 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3305 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|1,0,0]=3 3309 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.5 CSCC(=O)NNCCO 22a_100000210001_100000184570 [0,2,0,0,0,0|2,0,0]=4 3311 B9R0.5 CSCC(C)NCCCO 270004a_100000182051_100011216314 [0,2,0,0,0,0|1,0,1]=4 3312 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [0,2,0,0,0,0|1,0,1]=4 3313 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [0,2,0,0,0,0|1,0,1]=4 3314 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [0,2,0,0,0,0|1,0,1]=4 3315 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [0,2,0,0,0,0|1,0,1]=4 3316 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [0,2,0,0,0,0|1,0,1]=4 3317 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [0,2,0,0,0,0|1,0,1]=4 3318 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [0,2,0,0,0,0|1,0,1]=4 3319 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [0,2,0,0,0,0|1,0,1]=4 3320 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [0,2,0,0,0,0|1,0,1]=4 3321 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [0,2,0,0,0,0|1,0,1]=4 3322 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [0,2,0,0,0,0|1,0,1]=4 3323 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [0,2,0,0,0,0|1,0,1]=4 3324 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [0,2,0,0,0,0|1,0,1]=4 3325 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,2,0,0,0,0|0,0,2]=4 3326 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,2,0,0,0,0|0,0,2]=4 3327 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [0,2,0,0,0,0|1,0,1]=4 3328 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,2,0,0,0,0|1,0,1]=4 3329 B9R0.5 O=C(C=CBr)NCCCO 240690a_100000182051_100016273825 [0,2,0,0,0,0|1,0,1]=4 3330 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,2,0,0,0,0|1,0,1]=4 3331 B9R0.5 O=C(C=CCl)NCCCO 240690a_100000182051_200016279998 [0,2,0,0,0,0|1,0,1]=4 3332 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,2,0,0,0,0|1,0,1]=4 3333 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|0,0,1]=3 3334 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|1,0,1]=4 3335 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|1,0,1]=4 3336 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|0,0,1]=3 3337 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|0,0,1]=3 3338 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|1,0,1]=4 3339 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|1,0,0]=3 3341 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 3346 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|1,0,1]=4 3347 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,2,0,0,0,0|1,0,1]=4 3348 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,2,0,0,0,0|0,0,1]=3 3349 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|1,0,1]=4 3350 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|1,0,1]=4 3351 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|1,0,1]=4 3352 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|1,0,0]=3 3353 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|1,0,0]=3 3354 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|1,0,1]=4 3355 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|0,0,1]=3 3356 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,2,0,0,0,0|1,0,1]=4 3357 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,2,0,0,0,0|1,0,1]=4 3358 B9R0.8 CCC(C)N(C)CCCO 2230a_100000213112_100000758301 [0,2,0,0,0,0|1,0,1]=4 3359 B9R0.8 CCC(C)N(C)CCCO 2230a_100000741768_100000230001 [0,2,0,0,0,0|1,0,1]=4 3360 B9R0.8 CCC(C)N(C)CCCO 269982a_100000213112_100000758301 [0,2,0,0,0,0|1,0,1]=4 3361 B9R0.8 CCC(C)N(C)CCCO 269982a_100000741768_100011215043 [0,2,0,0,0,0|1,0,1]=4 3362 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|1,0,1]=4 3363 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|0,0,1]=3 3364 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,2,0,0,0,0|1,0,1]=4 3365 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|1,0,1]=4 3366 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|1,0,1]=4 3367 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|2,0,0]=4 3368 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|1,0,1]=4 3369 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|1,0,1]=4 3370 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|1,0,1]=4 3371 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3372 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|1,0,1]=4 3376 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|1,0,1]=4 3377 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|1,0,1]=4 3378 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|2,0,0]=4 3383 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,2,0,0,0,0|2,0,0]=4 3384 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 3385 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 3386 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,0]=3 3388 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 3392 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,2,0,0,0,0|2,0,0]=4 3393 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,2,0,0,0,0|2,0,0]=4 3394 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|1,0,1]=4 3395 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|1,0,1]=4 3396 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|1,0,1]=4 3397 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,2,0,0,0,0|1,0,1]=4 3398 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,2,0,0,0,0|0,0,2]=4 3399 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|1,0,1]=4 3400 B9R0.18 C/C=C/CN(C)CCCO 269982a_100000213112_100102629194 [0,2,0,0,0,0|0,0,2]=4 3401 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,2,0,0,0,0|0,0,2]=4 3402 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|1,0,1]=4 3403 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|0,0,2]=4 3404 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|1,0,1]=4 3405 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|1,0,1]=4 3406 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,2,0,0,0,0|1,0,1]=4 3407 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,2,0,0,0,0|0,0,1]=3 3408 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,2,0,0,0,0|1,0,1]=4 3409 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,2,0,0,0,0|1,0,1]=4 3410 B9R0.18 CC=CCN(C)CCCO 2230a_100000213112_100000070051 [0,2,0,0,0,0|0,0,2]=4 3411 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,2,0,0,0,0|1,0,1]=4 3412 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,2,0,0,0,0|1,0,1]=4 3413 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,2,0,0,0,0|0,0,1]=3 3414 B9R0.18 CCC#CC(C)OCCO 34a_100000033903_100000211926 [0,2,0,0,0,0|0,0,2]=4 3415 B9R0.18 CCC#CC(C)OCCO 7a_100000033903_100000211926 [0,2,0,0,0,0|0,0,2]=4 3416 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,2,0,0,0,0|1,0,1]=4 3417 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|1,0,0]=3 3418 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|1,0,0]=3 3419 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|0,0,0]=2 3420 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|0,0,1]=3 3421 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|0,1,1]=4 3422 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|1,0,1]=4 3423 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|1,0,1]=4 3424 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|1,0,1]=4 3425 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 3426 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 3427 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,2,0,0,0,0|1,0,1]=4 3428 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|0,0,1]=3 3429 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,2,0,0,0,0|1,0,1]=4 3431 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|1,0,1]=4 3432 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|1,0,1]=4 3433 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|0,0,1]=3 3434 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|1,0,1]=4 3435 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|1,0,1]=4 3437 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|1,0,1]=4 3438 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|1,0,1]=4 3439 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|1,0,1]=4 3440 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|1,0,1]=4 3441 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|1,0,1]=4 3442 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|1,0,1]=4 3443 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|1,0,1]=4 3444 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3447 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|1,0,1]=4 3449 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|1,0,1]=4 3450 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,2,0,0,0,0|0,0,2]=4 3452 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,2,0,0,0,0|0,0,2]=4 3453 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,2,0,0,0,0|0,0,2]=4 3454 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,2,0,0,0,0|0,0,2]=4 3455 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,2,0,0,0,0|0,0,2]=4 3456 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,2,0,0,0,0|0,0,2]=4 3457 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,2,0,0,0,0|0,0,2]=4 3458 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,2,0,0,0,0|0,0,2]=4 3459 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,2,0,0,0,0|0,0,2]=4 3460 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,2,0,0,0,0|0,0,2]=4 3461 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,2,0,0,0,0|0,0,2]=4 3462 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,2,0,0,0,0|0,0,2]=4 3463 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,2,0,0,0,0|1,0,1]=4 3464 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,2,0,0,0,0|1,0,1]=4 3465 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,2,0,0,0,0|1,0,1]=4 3467 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,2,0,0,0,0|1,0,1]=4 3468 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [0,2,0,0,0,0|0,0,2]=4 3469 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [0,2,0,0,0,0|0,0,2]=4 3470 B9R0.18 CCNN=C(C)CCCO 4a_100000756455_100000759063 [0,2,0,0,0,0|1,0,0]=3 3471 B9R0.18 CCNNC(=O)NCCO 273464a_100000210304_100000756455 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.18 CCNNC(=O)NCCO 512a_100000756455_100000210304 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|1,0,1]=4 3474 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|0,0,1]=3 3475 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|1,0,1]=4 3476 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|1,0,1]=4 3477 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,2,0,0,0,0|1,0,1]=4 3478 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,2,0,0,0,0|1,0,1]=4 3479 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [0,2,0,0,0,0|1,0,1]=4 3480 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,2,0,0,0,0|1,0,1]=4 3481 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,2,0,0,0,0|0,0,1]=3 3482 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,2,0,0,0,0|1,0,1]=4 3483 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,2,0,0,0,0|1,0,1]=4 3484 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [0,2,0,0,0,0|1,0,1]=4 3485 B9R0.18 CN(CCCO)CCCF 2230a_100000213112_100011934791 [0,2,0,0,0,0|1,0,1]=4 3486 B9R0.18 CN(CCCO)CCCF 269982a_100000213112_100011934791 [0,2,0,0,0,0|1,0,1]=4 3487 B9R0.18 CN(CCCO)CCCO 2230a_100000212923_200000210301 [0,2,0,0,0,0|1,0,1]=4 3488 B9R0.18 CN(CCCO)CCCO 2230a_100000213112_100000230001 [0,2,0,0,0,0|1,0,1]=4 3489 B9R0.18 CN(CCCO)CCCO 269982a_100000212923_200000210301 [0,2,0,0,0,0|1,0,1]=4 3490 B9R0.18 CN(CCCO)CCCO 269982a_100000213112_100011215043 [0,2,0,0,0,0|1,0,1]=4 3491 B9R0.18 CN(CCCO)CCCO 34a_100000212923_200000210301 [0,2,0,0,0,0|1,0,1]=4 3492 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,2,0,0,0,0|1,0,1]=4 3493 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|0,0,1]=3 3494 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|1,0,1]=4 3495 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,2,0,0,0,0|1,0,1]=4 3496 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,2,0,0,0,0|1,0,1]=4 3497 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|0,0,1]=3 3498 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|1,0,1]=4 3499 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|1,0,1]=4 3500 B9R0.18 COCCN(C)CCCO 2230a_100000213112_100011201679 [0,2,0,0,0,0|1,0,1]=4 3501 B9R0.18 COCCN(C)CCCO 2230a_100000743101_100000230001 [0,2,0,0,0,0|1,0,1]=4 3502 B9R0.18 COCCN(C)CCCO 269982a_100000213112_100000233755 [0,2,0,0,0,0|1,0,1]=4 3503 B9R0.18 COCCN(C)CCCO 269982a_100000743101_100011215043 [0,2,0,0,0,0|1,0,1]=4 3504 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,2,0,0,0,0|1,0,1]=4 3505 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|0,0,1]=3 3506 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|1,0,1]=4 3507 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|1,0,1]=4 3508 B9R0.18 CSCCN(C)CCCO 2230a_100000213112_100000751147 [0,2,0,0,0,0|1,0,1]=4 3509 B9R0.18 CSCCN(C)CCCO 2230a_100000686725_100000230001 [0,2,0,0,0,0|1,0,1]=4 3510 B9R0.18 CSCCN(C)CCCO 269982a_100000213112_100000212216 [0,2,0,0,0,0|1,0,1]=4 3511 B9R0.18 CSCCN(C)CCCO 269982a_100000686725_100011215043 [0,2,0,0,0,0|1,0,1]=4 3512 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,2,0,0,0,0|0,0,2]=4 3513 B9R0.18 O=C(C#CCO)CCCO 1458a_100000049017_100011215043 [0,2,0,0,0,0|0,0,2]=4 3514 B9R0.18 O=C(NCCO)NCCF 273464a_100000210304_100000724931 [0,2,0,0,0,0|2,0,0]=4 3515 B9R0.18 O=C(NCCO)NCCF 273464a_100000724931_100000210304 [0,2,0,0,0,0|2,0,0]=4 3516 B9R0.18 O=C(NCCO)NCCO 273464a_100000210304_100000210304 [0,2,0,0,0,0|2,0,0]=4 3517 B9R0.18 [13CH3]N(CCCO)CCCO 2230a_100000212923_200025704644 [0,2,0,0,0,0|1,0,1]=4 3518 B9R0.18 [13CH3]N(CCCO)CCCO 269982a_100000212923_200025704644 [0,2,0,0,0,0|1,0,1]=4 3519 B9R0.18 [13CH3]N(CCCO)CCCO 34a_100000212923_200025704644 [0,2,0,0,0,0|1,0,1]=4 3520 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,2,0,0,0,0|0,0,2]=4 3521 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|1,0,1]=4 3522 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,2,0,0,0,0|1,0,1]=4 3523 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|1,0,1]=4 3524 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,2,0,0,0,0|0,0,1]=3 3525 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,2,0,0,0,0|1,0,1]=4 3526 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,2,0,0,0,0|1,0,1]=4 3527 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|0,0,1]=3 3528 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|0,0,2]=4 3529 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|1,0,1]=4 3530 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|1,0,0]=3 3531 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|1,0,0]=3 3532 B9R0.34 CCC(C)NC(C)CCO 2230a_100000209981_100009893172 [0,2,0,0,0,0|1,0,1]=4 3533 B9R0.34 CCC(C)N[C@H](C)CCO 2230a_100000706166_100000758301 [0,2,0,0,0,0|1,0,1]=4 3534 B9R0.34 CCC(C)N[C@H](C)CCO 34a_100000706166_100011215416 [0,2,0,0,0,0|1,0,1]=4 3535 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,2,0,0,0,0|1,0,1]=4 3536 B9R0.34 CCC(C)SC(C)CCO 62a_100000758301_100009893172 [0,2,0,0,0,0|1,0,1]=4 3537 B9R0.34 CCC(C)SC(C)CCO 62a_100009893172_100000758301 [0,2,0,0,0,0|1,0,1]=4 3538 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|1,0,1]=4 3539 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|1,0,1]=4 3540 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|0,0,2]=4 3541 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|1,0,1]=4 3542 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|1,0,1]=4 3543 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|1,0,1]=4 3544 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|1,0,1]=4 3545 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|1,0,1]=4 3546 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|0,0,1]=3 3547 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|1,0,1]=4 3548 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|1,0,1]=4 3549 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|1,0,1]=4 3550 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|1,0,1]=4 3551 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [0,2,0,0,0,0|1,0,1]=4 3556 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [0,2,0,0,0,0|1,0,1]=4 3557 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [0,2,0,0,0,0|1,0,1]=4 3558 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [0,2,0,0,0,0|1,0,1]=4 3559 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [0,2,0,0,0,0|1,0,1]=4 3560 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,2,0,0,0,0|1,0,1]=4 3561 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,2,0,0,0,0|1,0,1]=4 3562 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [0,2,0,0,0,0|1,0,1]=4 3563 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [0,2,0,0,0,0|1,0,1]=4 3564 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [0,2,0,0,0,0|1,0,1]=4 3565 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 3566 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|2,0,0]=4 3570 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 3571 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 3573 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 3575 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|1,0,1]=4 3580 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|1,0,1]=4 3581 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,2,0,0,0,0|1,0,1]=4 3582 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,2,0,0,0,0|1,0,1]=4 3583 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,2,0,0,0,0|1,0,1]=4 3584 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|1,0,1]=4 3585 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,2,0,0,0,0|0,0,2]=4 3588 B9R0.35 CC(CCO)C(=O)C=CBr 1458a_100016273825_100009893172 [0,2,0,0,0,0|1,0,1]=4 3589 B9R0.35 CC(CCO)C(=O)C=CCl 1458a_200016279998_100009893172 [0,2,0,0,0,0|1,0,1]=4 3590 B9R0.35 CC(CCO)C(=O)C=CI 1458a_100016256311_100009893172 [0,2,0,0,0,0|1,0,1]=4 3591 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|1,0,1]=4 3592 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|1,0,1]=4 3593 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|1,0,1]=4 3594 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|0,0,1]=3 3595 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|1,0,1]=4 3596 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,2,0,0,0,0|0,0,1]=3 3597 B9R0.35 CC=CC(=O)N(C)CCO 240690a_100000210263_100000210699 [0,2,0,0,0,0|1,0,1]=4 3598 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|1,0,1]=4 3599 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|1,0,1]=4 3600 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|0,0,1]=3 3601 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,2,0,0,0,0|1,0,1]=4 3602 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,2,0,0,0,0|1,0,1]=4 3603 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|1,0,1]=4 3604 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.35 CCCN(C)C(C)CCO 2230a_100000731037_100000210303 [0,2,0,0,0,0|1,0,1]=4 3608 B9R0.35 CCCN(C)C(C)CCO 2230a_100000747261_100009893172 [0,2,0,0,0,0|1,0,1]=4 3609 B9R0.35 CCCN(C)C(C)CCO 269982a_100000731037_100000210303 [0,2,0,0,0,0|1,0,1]=4 3610 B9R0.35 CCCN(C)C(C)CCO 269982a_100000747261_100009893172 [0,2,0,0,0,0|1,0,1]=4 3611 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,0,1]=4 3613 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|1,0,1]=4 3616 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|1,0,1]=4 3617 B9R0.40 CCCN(CC)CCCO 2230a_100000226822_100000230001 [0,2,0,0,0,0|1,0,1]=4 3618 B9R0.40 CCCN(CC)CCCO 269982a_100000226822_100011215043 [0,2,0,0,0,0|1,0,1]=4 3619 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|0,0,2]=4 3620 B9R0.48 CC(Br)COC(C)CCO 34a_100012180447_100009893172 [0,2,0,0,0,0|1,0,1]=4 3621 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|1,0,1]=4 3622 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|0,0,1]=3 3623 B9R0.48 CC(C)CNC(C)CCO 2230a_100000210953_100009893172 [0,2,0,0,0,0|1,0,1]=4 3624 B9R0.48 CC(C)CNC(C)CCO 34a_100000210953_100009893172 [0,2,0,0,0,0|1,0,1]=4 3625 B9R0.48 CC(C)CN[C@H](C)CCO 2230a_100000706166_100000210760 [0,2,0,0,0,0|1,0,1]=4 3626 B9R0.48 CC(C)CN[C@H](C)CCO 270004a_100000706166_100000210432 [0,2,0,0,0,0|1,0,1]=4 3627 B9R0.48 CC(C)CN[C@H](C)CCO 34a_100000706166_100000210624 [0,2,0,0,0,0|1,0,1]=4 3628 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,2,0,0,0,0|1,0,1]=4 3629 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,2,0,0,0,0|1,0,1]=4 3630 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,2,0,0,0,0|1,0,1]=4 3631 B9R0.48 CC(CCO)OC[C@@H](C)Cl 34a_100016084084_100009893172 [0,2,0,0,0,0|1,0,1]=4 3632 B9R0.48 CC(CCO)OC[C@@H](C)N 34a_100000737577_100009893172 [0,2,0,0,0,0|1,0,1]=4 3633 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,2,0,0,0,0|1,0,1]=4 3634 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,2,0,0,0,0|1,0,1]=4 3635 B9R0.48 CC(F)COC(C)CCO 34a_100015925927_100009893172 [0,2,0,0,0,0|1,0,1]=4 3636 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,2,0,0,0,0|1,0,1]=4 3637 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,2,0,0,0,0|1,0,1]=4 3638 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,2,0,0,0,0|1,0,1]=4 3639 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|1,0,1]=4 3640 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,2,0,0,0,0|1,0,1]=4 3641 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,2,0,0,0,0|1,0,1]=4 3642 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,2,0,0,0,0|1,0,1]=4 3643 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,2,0,0,0,0|1,0,1]=4 3644 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,2,0,0,0,0|1,0,1]=4 3645 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,2,0,0,0,0|1,0,1]=4 3646 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|1,0,1]=4 3647 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|0,0,1]=3 3648 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,2,0,0,0,0|1,0,1]=4 3649 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,2,0,0,0,0|1,0,1]=4 3650 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|1,0,1]=4 3651 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|1,0,1]=4 3652 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|1,0,1]=4 3653 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|0,0,1]=3 3654 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|1,0,1]=4 3655 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|1,0,1]=4 3656 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|1,0,1]=4 3657 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,2,0,0,0,0|1,0,1]=4 3658 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,2,0,0,0,0|1,0,1]=4 3659 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 3661 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 3664 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3665 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 3666 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|1,0,1]=4 3668 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|1,0,1]=4 3669 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,2,0,0,0,0|1,0,1]=4 3670 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,2,0,0,0,0|1,0,1]=4 3671 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [0,2,0,0,0,0|0,0,2]=4 3672 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [0,2,0,0,0,0|0,0,2]=4 3673 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,2,0,0,0,0|0,0,2]=4 3674 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,2,0,0,0,0|0,0,2]=4 3675 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,2,0,0,0,0|0,0,2]=4 3676 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,2,0,0,0,0|1,0,1]=4 3677 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,2,0,0,0,0|1,0,1]=4 3678 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,2,0,0,0,0|1,0,1]=4 3679 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,2,0,0,0,0|1,0,1]=4 3680 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,2,0,0,0,0|1,0,1]=4 3681 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [0,2,0,0,0,0|1,0,1]=4 3682 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [0,2,0,0,0,0|1,0,1]=4 3683 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,2,0,0,0,0|1,0,1]=4 3684 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [0,2,0,0,0,0|1,0,1]=4 3685 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [0,2,0,0,0,0|1,0,1]=4 3686 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,2,0,0,0,0|1,0,1]=4 3687 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,2,0,0,0,0|1,0,1]=4 3688 B9R0.2 C=C(F)COC/C=C\CC 34a_100016268518_100009893438 [0,2,0,0,0,0|1,0,1]=4 3689 B9R0.2 C=C(F)COC/C=C\CC 34a_200010262243_100103147603 [0,2,0,0,0,0|1,0,1]=4 3690 B9R0.2 C=C(F)CSC/C=C\CC 62a_100000042424_100103147603 [0,2,0,0,0,0|1,0,1]=4 3691 B9R0.2 C=C(F)CSC/C=C\CC 62a_100103147603_100000042424 [0,2,0,0,0,0|1,0,1]=4 3692 B9R0.2 CC(=CC=NNCCO)C 4a_100000210001_100011215525 [0,2,0,0,0,0|1,0,1]=4 3693 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [0,2,0,0,0,0|0,0,2]=4 3694 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [0,2,0,0,0,0|0,0,2]=4 3695 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,2,0,0,0,0|0,0,2]=4 3696 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,2,0,0,0,0|0,0,2]=4 3697 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [0,2,0,0,0,0|0,0,2]=4 3698 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,2,0,0,0,0|0,0,2]=4 3699 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,2,0,0,0,0|0,0,2]=4 3700 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,2,0,0,0,0|0,0,2]=4 3701 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,2,0,0,0,0|0,0,2]=4 3702 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,2,0,0,0,0|0,0,2]=4 3703 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,2,0,0,0,0|1,0,1]=4 3704 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,2,0,0,0,0|1,0,1]=4 3705 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,2,0,0,0,0|1,0,1]=4 3706 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,2,0,0,0,0|1,0,1]=4 3707 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,2,0,0,0,0|1,0,1]=4 3708 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,2,0,0,0,0|0,0,2]=4 3709 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,2,0,0,0,0|0,0,2]=4 3710 B9R0.2 CC(C)CC=NNCCO 4a_100000210001_100000185833 [0,2,0,0,0,0|1,0,1]=4 3711 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,2,0,0,0,0|0,0,2]=4 3712 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,2,0,0,0,0|0,0,2]=4 3713 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,2,0,0,0,0|0,0,2]=4 3714 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,2,0,0,0,0|0,0,2]=4 3715 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,2,0,0,0,0|0,0,2]=4 3716 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,2,0,0,0,0|0,0,2]=4 3717 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,2,0,0,0,0|0,0,2]=4 3718 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,2,0,0,0,0|0,0,2]=4 3719 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,2,0,0,0,0|0,0,2]=4 3720 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,2,0,0,0,0|0,0,2]=4 3721 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,2,0,0,0,0|0,0,2]=4 3722 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,2,0,0,0,0|0,0,2]=4 3723 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,2,0,0,0,0|0,0,2]=4 3724 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,2,0,0,0,0|0,0,2]=4 3725 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,2,0,0,0,0|0,0,2]=4 3726 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,2,0,0,0,0|0,0,2]=4 3727 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,2,0,0,0,0|0,0,2]=4 3728 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,2,0,0,0,0|0,0,2]=4 3729 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,2,0,0,0,0|0,0,2]=4 3730 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,2,0,0,0,0|0,0,2]=4 3731 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,2,0,0,0,0|0,0,2]=4 3732 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,2,0,0,0,0|0,0,2]=4 3733 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,2,0,0,0,0|0,0,2]=4 3734 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,2,0,0,0,0|0,0,2]=4 3735 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,2,0,0,0,0|0,0,2]=4 3736 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,2,0,0,0,0|0,0,2]=4 3737 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,2,0,0,0,0|0,0,2]=4 3738 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,2,0,0,0,0|1,0,1]=4 3739 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [0,2,0,0,0,0|1,0,1]=4 3740 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [0,2,0,0,0,0|1,0,1]=4 3741 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [0,2,0,0,0,0|1,0,1]=4 3742 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [0,2,0,0,0,0|1,0,1]=4 3743 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [0,2,0,0,0,0|1,0,1]=4 3744 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [0,2,0,0,0,0|1,0,1]=4 3745 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,2,0,0,0,0|0,0,2]=4 3746 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [0,2,0,0,0,0|1,0,1]=4 3747 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [0,2,0,0,0,0|1,0,1]=4 3748 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [0,2,0,0,0,0|1,0,1]=4 3749 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [0,2,0,0,0,0|1,0,1]=4 3750 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,2,0,0,0,0|1,0,1]=4 3751 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,2,0,0,0,0|1,0,1]=4 3752 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,2,0,0,0,0|1,0,1]=4 3753 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,2,0,0,0,0|1,0,1]=4 3754 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,2,0,0,0,0|1,0,1]=4 3755 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [0,2,0,0,0,0|1,0,1]=4 3756 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [0,2,0,0,0,0|1,0,1]=4 3757 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,2,0,0,0,0|0,0,2]=4 3758 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,2,0,0,0,0|0,0,2]=4 3759 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [0,2,0,0,0,0|1,0,1]=4 3760 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [0,2,0,0,0,0|1,0,1]=4 3761 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [0,2,0,0,0,0|1,0,1]=4 3762 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [0,2,0,0,0,0|1,0,1]=4 3763 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [0,2,0,0,0,0|1,0,1]=4 3764 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [0,2,0,0,0,0|1,0,1]=4 3765 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [0,2,0,0,0,0|1,0,1]=4 3766 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [0,2,0,0,0,0|1,0,1]=4 3767 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [0,2,0,0,0,0|1,0,1]=4 3768 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [0,2,0,0,0,0|1,0,1]=4 3769 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,2,0,0,0,0|0,0,2]=4 3770 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,2,0,0,0,0|1,0,1]=4 3771 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,2,0,0,0,0|0,0,2]=4 3772 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,2,0,0,0,0|0,0,2]=4 3773 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,2,0,0,0,0|1,0,1]=4 3774 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,2,0,0,0,0|1,0,1]=4 3775 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,2,0,0,0,0|1,0,1]=4 3776 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,2,0,0,0,0|1,0,1]=4 3777 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,2,0,0,0,0|0,0,2]=4 3778 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,2,0,0,0,0|0,0,2]=4 3779 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,2,0,0,0,0|1,0,1]=4 3780 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,2,0,0,0,0|1,0,1]=4 3781 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,2,0,0,0,0|1,0,1]=4 3782 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,2,0,0,0,0|0,0,2]=4 3783 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,2,0,0,0,0|1,0,1]=4 3784 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,2,0,0,0,0|1,0,1]=4 3785 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,2,0,0,0,0|1,0,1]=4 3786 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,2,0,0,0,0|1,0,1]=4 3787 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,2,0,0,0,0|1,0,1]=4 3788 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,2,0,0,0,0|1,0,1]=4 3789 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,2,0,0,0,0|0,0,2]=4 3790 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,2,0,0,0,0|0,0,2]=4 3791 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,2,0,0,0,0|0,0,2]=4 3792 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,2,0,0,0,0|0,0,2]=4 3793 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|0,0,2]=4 3794 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,2,0,0,0,0|0,0,2]=4 3795 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,2,0,0,0,0|0,0,2]=4 3796 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,2,0,0,0,0|0,0,2]=4 3797 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [0,2,0,0,0,0|1,0,0]=3 3798 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [0,2,0,0,0,0|1,0,0]=3 3799 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,2,0,0,0,0|1,0,0]=3 3800 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,2,0,0,0,0|1,0,0]=3 3801 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,2,0,0,0,0|1,0,0]=3 3802 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [0,2,0,0,0,0|1,0,0]=3 3803 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [0,2,0,0,0,0|1,0,0]=3 3804 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,2,0,0,0,0|0,0,2]=4 3805 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,2,0,0,0,0|0,0,1]=3 3806 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [0,2,0,0,0,0|1,0,0]=3 3807 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [0,2,0,0,0,0|1,0,0]=3 3808 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [0,2,0,0,0,0|0,0,0]=2 3809 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [0,2,0,0,0,0|0,0,0]=2 3810 B9R0.2 CC/C=C\CNCC(F)F 34a_100000765723_100103147603 [0,2,0,0,0,0|1,0,0]=3 3811 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,2,0,0,0,0|0,0,2]=4 3812 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,2,0,0,0,0|0,0,2]=4 3813 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,2,0,0,0,0|0,0,2]=4 3814 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [0,2,0,0,0,0|1,0,0]=3 3815 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [0,2,0,0,0,0|1,0,0]=3 3816 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [0,2,0,0,0,0|1,0,0]=3 3817 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [0,2,0,0,0,0|1,0,0]=3 3818 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [0,2,0,0,0,0|0,0,0]=2 3819 B9R0.2 CC/C=C\COCC(F)F 34a_100000743014_100103147603 [0,2,0,0,0,0|1,0,0]=3 3820 B9R0.2 CC/C=C\COCC(F)F 34a_100016268518_100011934356 [0,2,0,0,0,0|1,0,0]=3 3821 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [0,2,0,0,0,0|1,0,0]=3 3822 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [0,2,0,0,0,0|1,0,0]=3 3823 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [0,2,0,0,0,0|0,0,0]=2 3824 B9R0.2 CC/C=C\COC[N+](=O)[O-] 34a_100016268518_100000761209 [0,2,0,0,0,0|1,0,1]=4 3825 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,2,0,0,0,0|0,0,2]=4 3826 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,2,0,0,0,0|0,0,2]=4 3827 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,2,0,0,0,0|0,0,2]=4 3828 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,2,0,0,0,0|0,0,2]=4 3829 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [0,2,0,0,0,0|1,0,0]=3 3830 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [0,2,0,0,0,0|1,0,0]=3 3831 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,2,0,0,0,0|0,0,0]=2 3832 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,2,0,0,0,0|0,0,0]=2 3833 B9R0.2 CC/C=C\CSCC(F)F 62a_100011934356_100103147603 [0,2,0,0,0,0|1,0,0]=3 3834 B9R0.2 CC/C=C\CSCC(F)F 62a_100103147603_100011934356 [0,2,0,0,0,0|1,0,0]=3 3835 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,2,0,0,0,0|0,0,0]=2 3836 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,2,0,0,0,0|0,0,0]=2 3837 B9R0.2 CC/C=C\CSC[N+](=O)[O-] 62a_100103147603_100000761209 [0,2,0,0,0,0|1,0,1]=4 3838 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [0,2,0,0,0,0|0,0,2]=4 3839 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,2,0,0,0,0|0,0,2]=4 3840 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,2,0,0,0,0|0,0,2]=4 3841 B9R0.2 CCC#CCNCC(C)O 2230a_100000210904_100009813939 [0,2,0,0,0,0|0,0,2]=4 3842 B9R0.2 CCC#CCNCC(C)O 34a_100000210904_100009813939 [0,2,0,0,0,0|0,0,2]=4 3843 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [0,2,0,0,0,0|0,0,2]=4 3844 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [0,2,0,0,0,0|0,0,2]=4 3845 B9R0.2 CCC#CCSCC(C)O 62a_100009813939_100011218427 [0,2,0,0,0,0|0,0,2]=4 3846 B9R0.2 CCC#CCSCC(C)O 62a_100011218427_100009813939 [0,2,0,0,0,0|0,0,2]=4 3847 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009813939_100009817552 [0,2,0,0,0,0|0,0,2]=4 3848 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009817552_100009813939 [0,2,0,0,0,0|0,0,2]=4 3849 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [0,2,0,0,0,0|2,0,0]=4 3850 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [0,2,0,0,0,0|2,0,0]=4 3851 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,2,0,0,0,0|1,0,0]=3 3852 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,2,0,0,0,0|1,0,0]=3 3853 B9R0.2 CCCC=NNCC(C)O 4a_200000730056_100000185831 [0,2,0,0,0,0|1,0,1]=4 3854 B9R0.2 CCCCC=NNC(C)C 4a_100000741168_100000210104 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,2,0,0,0,0|1,0,1]=4 3856 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,2,0,0,0,0|1,0,1]=4 3857 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,2,0,0,0,0|0,0,2]=4 3858 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,2,0,0,0,0|0,0,2]=4 3859 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,2,0,0,0,0|0,0,2]=4 3860 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,2,0,0,0,0|0,0,2]=4 3861 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,2,0,0,0,0|0,0,2]=4 3862 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,2,0,0,0,0|0,0,2]=4 3863 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,2,0,0,0,0|0,0,2]=4 3864 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,2,0,0,0,0|0,0,2]=4 3865 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,2,0,0,0,0|0,0,2]=4 3866 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,2,0,0,0,0|0,0,2]=4 3867 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,2,0,0,0,0|0,0,2]=4 3868 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,2,0,0,0,0|0,0,2]=4 3869 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,2,0,0,0,0|0,0,2]=4 3870 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,2,0,0,0,0|0,0,2]=4 3871 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,2,0,0,0,0|0,0,2]=4 3872 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,2,0,0,0,0|0,0,2]=4 3874 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,2,0,0,0,0|0,0,2]=4 3875 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,2,0,0,0,0|0,0,2]=4 3876 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,2,0,0,0,0|0,0,2]=4 3877 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,2,0,0,0,0|0,0,2]=4 3878 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,2,0,0,0,0|0,0,2]=4 3879 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,2,0,0,0,0|0,0,2]=4 3880 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,2,0,0,0,0|1,0,1]=4 3881 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,2,0,0,0,0|1,0,1]=4 3882 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,2,0,0,0,0|1,0,1]=4 3883 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,2,0,0,0,0|1,0,1]=4 3884 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,2,0,0,0,0|1,0,1]=4 3885 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,2,0,0,0,0|1,0,1]=4 3886 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,2,0,0,0,0|1,0,1]=4 3887 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,2,0,0,0,0|1,0,1]=4 3888 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,2,0,0,0,0|1,0,1]=4 3889 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,2,0,0,0,0|1,0,1]=4 3890 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,2,0,0,0,0|1,0,1]=4 3891 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,2,0,0,0,0|1,0,1]=4 3892 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,2,0,0,0,0|1,0,1]=4 3893 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,2,0,0,0,0|1,0,1]=4 3894 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,2,0,0,0,0|1,0,1]=4 3895 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,2,0,0,0,0|1,0,1]=4 3896 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,2,0,0,0,0|1,0,1]=4 3897 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,2,0,0,0,0|1,0,1]=4 3898 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,2,0,0,0,0|1,0,1]=4 3899 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,2,0,0,0,0|1,0,1]=4 3900 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,2,0,0,0,0|1,0,1]=4 3901 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,2,0,0,0,0|1,0,1]=4 3902 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,2,0,0,0,0|1,0,1]=4 3903 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,2,0,0,0,0|1,0,1]=4 3904 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,2,0,0,0,0|1,0,1]=4 3905 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,2,0,0,0,0|1,0,1]=4 3906 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,2,0,0,0,0|1,0,1]=4 3907 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,2,0,0,0,0|1,0,1]=4 3908 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,2,0,0,0,0|1,0,1]=4 3909 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,2,0,0,0,0|1,0,1]=4 3910 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,2,0,0,0,0|1,0,1]=4 3911 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,2,0,0,0,0|1,0,1]=4 3912 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,2,0,0,0,0|0,0,2]=4 3913 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,2,0,0,0,0|0,0,2]=4 3914 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,2,0,0,0,0|1,0,1]=4 3915 B9R0.2 COCCC/C=C/B(O)O 34a_100138415774_200016261450 [0,2,0,0,0,0|2,0,0]=4 3916 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,2,0,0,0,0|0,0,2]=4 3917 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,2,0,0,0,0|0,0,2]=4 3918 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,2,0,0,0,0|0,0,2]=4 3919 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,2,0,0,0,0|1,0,1]=4 3920 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,2,0,0,0,0|1,0,1]=4 3921 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,2,0,0,0,0|1,0,1]=4 3922 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,2,0,0,0,0|1,0,1]=4 3923 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,2,0,0,0,0|1,0,1]=4 3924 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,2,0,0,0,0|1,0,1]=4 3925 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,2,0,0,0,0|1,0,1]=4 3926 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,2,0,0,0,0|1,0,1]=4 3927 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,2,0,0,0,0|1,0,1]=4 3928 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,2,0,0,0,0|1,0,1]=4 3929 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,2,0,0,0,0|1,0,1]=4 3930 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,2,0,0,0,0|1,0,1]=4 3931 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,2,0,0,0,0|1,0,1]=4 3932 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,2,0,0,0,0|1,0,1]=4 3933 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,2,0,0,0,0|1,0,1]=4 3934 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,2,0,0,0,0|1,0,1]=4 3935 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,2,0,0,0,0|1,0,1]=4 3936 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,2,0,0,0,0|1,0,1]=4 3937 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,2,0,0,0,0|1,0,1]=4 3938 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,2,0,0,0,0|1,0,1]=4 3939 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,2,0,0,0,0|1,0,1]=4 3940 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,2,0,0,0,0|1,0,1]=4 3941 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,2,0,0,0,0|1,0,1]=4 3942 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,2,0,0,0,0|1,0,1]=4 3943 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,2,0,0,0,0|1,0,1]=4 3944 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,2,0,0,0,0|1,0,1]=4 3945 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,2,0,0,0,0|1,0,1]=4 3946 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,2,0,0,0,0|1,0,1]=4 3947 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,2,0,0,0,0|1,0,1]=4 3948 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,2,0,0,0,0|1,0,1]=4 3949 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,2,0,0,0,0|1,0,1]=4 3950 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,2,0,0,0,0|1,0,1]=4 3951 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,2,0,0,0,0|1,0,1]=4 3952 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,2,0,0,0,0|1,0,1]=4 3953 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,2,0,0,0,0|1,0,1]=4 3954 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,2,0,0,0,0|1,0,1]=4 3955 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,2,0,0,0,0|1,0,1]=4 3956 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,2,0,0,0,0|1,0,1]=4 3957 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,2,0,0,0,0|1,0,1]=4 3958 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,2,0,0,0,0|1,0,1]=4 3959 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,2,0,0,0,0|1,0,1]=4 3960 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,2,0,0,0,0|1,0,1]=4 3961 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,2,0,0,0,0|1,0,1]=4 3962 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,2,0,0,0,0|1,0,1]=4 3963 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,2,0,0,0,0|0,0,2]=4 3964 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,2,0,0,0,0|0,0,2]=4 3965 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,2,0,0,0,0|0,0,2]=4 3966 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,2,0,0,0,0|0,0,2]=4 3967 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,2,0,0,0,0|0,0,2]=4 3968 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,2,0,0,0,0|0,0,2]=4 3969 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,2,0,0,0,0|0,0,2]=4 3970 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [0,2,0,0,0,0|1,0,1]=4 3971 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [0,2,0,0,0,0|1,0,1]=4 3972 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [0,2,0,0,0,0|1,0,1]=4 3973 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [0,2,0,0,0,0|1,0,1]=4 3974 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [0,2,0,0,0,0|1,0,1]=4 3975 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [0,2,0,0,0,0|1,0,1]=4 3976 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [0,2,0,0,0,0|1,0,1]=4 3977 B9R0.2 OCCNC/C=C/B(O)O 2230a_100016997473_100016262062 [0,2,0,0,0,0|2,0,0]=4 3978 B9R0.2 OCCNC/C=C/B(O)O 34a_100016990907_100016262062 [0,2,0,0,0,0|2,0,0]=4 3979 B9R0.2 OCCSC/C=C/B(O)O 62a_100000211926_100016262062 [0,2,0,0,0,0|2,0,0]=4 3980 B9R0.2 OCCSC/C=C/B(O)O 62a_100016262062_100000211926 [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,2,0,0,0,0|0,0,2]=4 3982 B9R0.45 C#CCCC=NNCCO 4a_100000210001_100011713443 [0,2,0,0,0,0|2,0,0]=4 3983 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [0,2,0,0,0,0|1,0,1]=4 3984 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [0,2,0,0,0,0|1,0,1]=4 3985 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [0,2,0,0,0,0|1,0,1]=4 3986 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,2,0,0,0,0|1,0,1]=4 3987 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,2,0,0,0,0|1,0,1]=4 3988 B9R0.45 C#CCCNC/C=C\CC 34a_100000755551_100103147603 [0,2,0,0,0,0|1,0,0]=3 3989 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [0,2,0,0,0,0|1,0,1]=4 3990 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [0,2,0,0,0,0|1,0,1]=4 3991 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [0,2,0,0,0,0|1,0,1]=4 3992 B9R0.45 C#CCCOC/C=C\CC 34a_100011215631_100103147603 [0,2,0,0,0,0|1,0,0]=3 3993 B9R0.45 C#CCCOC/C=C\CC 34a_100016268518_100000688953 [0,2,0,0,0,0|1,0,0]=3 3994 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [0,2,0,0,0,0|1,0,1]=4 3995 B9R0.45 C#CCCSC/C=C\CC 62a_100000688953_100103147603 [0,2,0,0,0,0|1,0,0]=3 3996 B9R0.45 C#CCCSC/C=C\CC 62a_100103147603_100000688953 [0,2,0,0,0,0|1,0,0]=3 3997 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,2,0,0,0,0|1,0,1]=4 3998 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,2,0,0,0,0|1,0,1]=4 3999 B9R0.45 C#CCNCC/C=C\CC 34a_100000212058_100015370543 [0,2,0,0,0,0|1,0,0]=3 4000 B9R0.45 C#CCOC/C=C/CCC 34a_100016278788_100000184674 [0,2,0,0,0,0|1,0,1]=4 4001 B9R0.45 C#CCOC/C=C/CCC 7a_100016278788_100000038162 [0,2,0,0,0,0|1,0,1]=4 4002 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [0,2,0,0,0,0|1,0,0]=3 4003 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [0,2,0,0,0,0|1,0,0]=3 4004 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [0,2,0,0,0,0|1,0,0]=3 4005 B9R0.45 C#CCSCC/C=C\CC 62a_100000038162_100015370543 [0,2,0,0,0,0|1,0,0]=3 4006 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,2,0,0,0,0|1,0,1]=4 4007 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [0,2,0,0,0,0|1,0,1]=4 4008 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,2,0,0,0,0|0,0,1]=3 4009 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,2,0,0,0,0|0,0,2]=4 4010 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,2,0,0,0,0|0,0,2]=4 4011 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,2,0,0,0,0|0,0,2]=4 4012 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,2,0,0,0,0|0,0,2]=4 4013 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [0,2,0,0,0,0|1,0,1]=4 4014 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [0,2,0,0,0,0|1,0,1]=4 4015 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,2,0,0,0,0|0,0,2]=4 4016 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,2,0,0,0,0|0,0,2]=4 4017 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,2,0,0,0,0|0,0,2]=4 4018 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [0,2,0,0,0,0|1,0,1]=4 4019 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [0,2,0,0,0,0|1,0,1]=4 4020 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,2,0,0,0,0|0,0,2]=4 4021 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,2,0,0,0,0|0,0,2]=4 4022 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,2,0,0,0,0|0,0,2]=4 4023 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,2,0,0,0,0|0,0,2]=4 4024 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [0,2,0,0,0,0|1,0,0]=3 4025 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [0,2,0,0,0,0|1,0,0]=3 4026 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [0,2,0,0,0,0|1,0,0]=3 4027 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [0,2,0,0,0,0|1,0,0]=3 4028 B9R0.45 C=CCCC=NNCCO 4a_100000210001_100011216789 [0,2,0,0,0,0|2,0,0]=4 4029 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,2,0,0,0,0|1,0,1]=4 4030 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,2,0,0,0,0|1,0,1]=4 4031 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,2,0,0,0,0|1,0,1]=4 4032 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,2,0,0,0,0|1,0,1]=4 4033 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,2,0,0,0,0|1,0,1]=4 4034 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,2,0,0,0,0|1,0,1]=4 4035 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,2,0,0,0,0|1,0,0]=3 4036 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,2,0,0,0,0|1,0,1]=4 4037 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,2,0,0,0,0|1,0,1]=4 4038 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,2,0,0,0,0|1,0,1]=4 4039 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,2,0,0,0,0|1,0,0]=3 4040 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,2,0,0,0,0|1,0,0]=3 4041 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,2,0,0,0,0|1,0,1]=4 4042 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,2,0,0,0,0|1,0,0]=3 4043 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,2,0,0,0,0|1,0,0]=3 4044 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,2,0,0,0,0|1,0,1]=4 4045 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,2,0,0,0,0|1,0,1]=4 4046 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,2,0,0,0,0|1,0,0]=3 4047 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,2,0,0,0,0|1,0,1]=4 4048 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,2,0,0,0,0|1,0,1]=4 4049 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,2,0,0,0,0|1,0,0]=3 4050 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,2,0,0,0,0|1,0,0]=3 4051 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,2,0,0,0,0|1,0,0]=3 4052 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,2,0,0,0,0|1,0,0]=3 4053 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,2,0,0,0,0|1,0,0]=3 4054 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,2,0,0,0,0|1,0,1]=4 4055 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,2,0,0,0,0|1,0,1]=4 4056 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,2,0,0,0,0|1,0,1]=4 4057 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,2,0,0,0,0|1,0,1]=4 4058 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [0,2,0,0,0,0|1,0,1]=4 4059 B9R0.45 CC#CCNC/C=C\CC 2230a_100000685387_100103147603 [0,2,0,0,0,0|1,0,1]=4 4060 B9R0.45 CC#CCNC/C=C\CC 34a_100000685387_100103147603 [0,2,0,0,0,0|1,0,1]=4 4061 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [0,2,0,0,0,0|1,0,1]=4 4062 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [0,2,0,0,0,0|1,0,1]=4 4063 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [0,2,0,0,0,0|1,0,1]=4 4064 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [0,2,0,0,0,0|1,0,1]=4 4065 B9R0.45 CC#CCOC/C=C\CC 34a_100000761923_100103147603 [0,2,0,0,0,0|1,0,1]=4 4066 B9R0.45 CC#CCOC/C=C\CC 34a_100016268518_100000748600 [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [0,2,0,0,0,0|1,0,1]=4 4068 B9R0.45 CC#CCSC/C=C\CC 62a_100000748600_100103147603 [0,2,0,0,0,0|1,0,1]=4 4069 B9R0.45 CC#CCSC/C=C\CC 62a_100103147603_100000748600 [0,2,0,0,0,0|1,0,1]=4 4070 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [0,2,0,0,0,0|1,0,1]=4 4071 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [0,2,0,0,0,0|1,0,1]=4 4072 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,2,0,0,0,0|0,0,0]=2 4073 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,2,0,0,0,0|0,0,0]=2 4074 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,2,0,0,0,0|0,0,0]=2 4075 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,2,0,0,0,0|0,0,0]=2 4076 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,2,0,0,0,0|0,0,0]=2 4077 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,2,0,0,0,0|0,0,0]=2 4078 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,2,0,0,0,0|0,0,0]=2 4079 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,2,0,0,0,0|0,0,0]=2 4080 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [0,2,0,0,0,0|1,0,0]=3 4081 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,2,0,0,0,0|0,0,0]=2 4082 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,2,0,0,0,0|0,0,0]=2 4083 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [0,2,0,0,0,0|1,0,0]=3 4084 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,2,0,0,0,0|0,0,1]=3 4085 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,2,0,0,0,0|0,0,1]=3 4086 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [0,2,0,0,0,0|1,0,0]=3 4087 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,2,0,0,0,0|1,0,0]=3 4088 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,2,0,0,0,0|1,0,0]=3 4089 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,2,0,0,0,0|1,0,0]=3 4090 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [0,2,0,0,0,0|1,0,0]=3 4091 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [0,2,0,0,0,0|1,0,0]=3 4092 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [0,2,0,0,0,0|1,0,0]=3 4093 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,2,0,0,0,0|0,0,0]=2 4094 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,2,0,0,0,0|0,0,0]=2 4095 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [0,2,0,0,0,0|0,1,0]=3 4096 B9R0.45 CC/C=C\CCSCC#N 62a_100011215382_100015370543 [0,2,0,0,0,0|1,0,0]=3 4097 B9R0.45 CC/C=C\CCSCC#N 62a_100015370543_100011215382 [0,2,0,0,0,0|1,0,0]=3 4098 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,2,0,0,0,0|0,0,1]=3 4099 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,2,0,0,0,0|0,0,1]=3 4100 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,2,0,0,0,0|1,0,0]=3 4101 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,2,0,0,0,0|1,0,0]=3 4102 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,2,0,0,0,0|1,0,0]=3 4103 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,2,0,0,0,0|1,0,0]=3 4104 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,2,0,0,0,0|0,0,0]=2 4105 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,2,0,0,0,0|0,0,0]=2 4106 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,2,0,0,0,0|0,0,0]=2 4107 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,2,0,0,0,0|0,0,0]=2 4108 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [0,2,0,0,0,0|0,1,0]=3 4109 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [0,2,0,0,0,0|0,1,0]=3 4110 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,2,0,0,0,0|1,0,0]=3 4111 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,2,0,0,0,0|1,0,0]=3 4112 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [0,2,0,0,0,0|1,0,0]=3 4113 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [0,2,0,0,0,0|1,0,0]=3 4114 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,2,0,0,0,0|0,0,0]=2 4115 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [0,2,0,0,0,0|0,1,0]=3 4116 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [0,2,0,0,0,0|1,0,0]=3 4117 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,2,0,0,0,0|1,0,0]=3 4118 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,2,0,0,0,0|1,0,0]=3 4119 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,2,0,0,0,0|1,0,0]=3 4120 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [0,2,0,0,0,0|1,0,0]=3 4121 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [0,2,0,0,0,0|1,0,0]=3 4122 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [0,2,0,0,0,0|1,0,0]=3 4123 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [0,2,0,0,0,0|1,0,0]=3 4124 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,2,0,0,0,0|0,0,0]=2 4125 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,2,0,0,0,0|0,0,0]=2 4126 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,2,0,0,0,0|0,0,0]=2 4127 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,2,0,0,0,0|0,0,0]=2 4128 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [0,2,0,0,0,0|0,1,0]=3 4129 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [0,2,0,0,0,0|0,1,0]=3 4130 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [0,2,0,0,0,0|0,1,0]=3 4131 B9R0.45 CC/C=C\CSCCC#N 62a_100011215226_100103147603 [0,2,0,0,0,0|1,0,0]=3 4132 B9R0.45 CC/C=C\CSCCC#N 62a_100103147603_100011215226 [0,2,0,0,0,0|1,0,0]=3 4133 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,2,0,0,0,0|1,0,0]=3 4134 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,2,0,0,0,0|1,0,0]=3 4135 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,2,0,0,0,0|1,0,0]=3 4136 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,2,0,0,0,0|1,0,0]=3 4137 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,2,0,0,0,0|0,0,0]=2 4138 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,2,0,0,0,0|0,0,0]=2 4139 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,2,0,0,0,0|0,0,0]=2 4140 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,2,0,0,0,0|0,0,0]=2 4141 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [0,2,0,0,0,0|0,1,0]=3 4142 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [0,2,0,0,0,0|0,1,0]=3 4143 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,2,0,0,0,0|1,0,0]=3 4144 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,2,0,0,0,0|1,0,0]=3 4145 B9R0.45 CC/C=C\CSCSC#N 62a_100000211825_100103147603 [0,2,0,0,0,0|1,0,1]=4 4146 B9R0.45 CC/C=C\CSCSC#N 62a_100103147603_100000211825 [0,2,0,0,0,0|1,0,1]=4 4147 B9R0.45 CC=C=CCCOCCO 34a_100011020354_100000211926 [0,2,0,0,0,0|0,0,2]=4 4148 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,2,0,0,0,0|0,0,2]=4 4149 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,2,0,0,0,0|0,0,2]=4 4150 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,2,0,0,0,0|0,0,2]=4 4151 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,2,0,0,0,0|0,0,2]=4 4152 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [0,2,0,0,0,0|1,0,1]=4 4153 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,2,0,0,0,0|0,0,2]=4 4154 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [0,2,0,0,0,0|1,0,1]=4 4155 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [0,2,0,0,0,0|1,0,1]=4 4156 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,2,0,0,0,0|0,0,2]=4 4157 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,2,0,0,0,0|0,0,2]=4 4158 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,2,0,0,0,0|0,0,2]=4 4159 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,2,0,0,0,0|0,0,2]=4 4160 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [0,2,0,0,0,0|0,0,2]=4 4161 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [0,2,0,0,0,0|0,0,2]=4 4162 B9R0.45 CCC#CCNCCOC 2230a_100000209980_100009813939 [0,2,0,0,0,0|0,0,2]=4 4163 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [0,2,0,0,0,0|0,0,2]=4 4164 B9R0.45 CCC#CCOCCOC 34a_100000032950_100011201679 [0,2,0,0,0,0|0,0,2]=4 4165 B9R0.45 CCC#CCOCCOC 34a_100000210237_100009813939 [0,2,0,0,0,0|0,0,2]=4 4166 B9R0.45 CCC#CCOCCON 34a_100000700252_100009813939 [0,2,0,0,0,0|0,0,2]=4 4167 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,2,0,0,0,0|0,0,2]=4 4168 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,2,0,0,0,0|0,0,2]=4 4169 B9R0.45 CCC#CCSCCOC 62a_100000233755_100009813939 [0,2,0,0,0,0|0,0,2]=4 4170 B9R0.45 CCC#CCSCCOC 62a_100009813939_100000233755 [0,2,0,0,0,0|0,0,2]=4 4171 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [0,2,0,0,0,0|0,0,2]=4 4172 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [0,2,0,0,0,0|0,0,2]=4 4173 B9R0.45 CCC/C=C/COCC#N 7a_100016278788_100011215382 [0,2,0,0,0,0|1,0,1]=4 4174 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,2,0,0,0,0|0,0,2]=4 4175 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,2,0,0,0,0|0,0,2]=4 4176 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,2,0,0,0,0|1,0,0]=3 4177 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,2,0,0,0,0|1,0,0]=3 4178 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,2,0,0,0,0|1,0,0]=3 4180 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,2,0,0,0,0|0,0,0]=2 4181 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,2,0,0,0,0|0,0,0]=2 4182 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [0,2,0,0,0,0|1,1,0]=4 4183 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [0,2,0,0,0,0|1,0,1]=4 4184 B9R0.45 CCC=CC=NNCCO 4a_100000210001_100011216943 [0,2,0,0,0,0|0,0,1]=3 4185 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,2,0,0,0,0|1,0,1]=4 4186 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [0,2,0,0,0,0|2,0,0]=4 4187 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,2,0,0,0,0|0,0,2]=4 4188 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,2,0,0,0,0|0,0,2]=4 4189 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,2,0,0,0,0|1,0,0]=3 4190 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,2,0,0,0,0|1,0,0]=3 4191 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,2,0,0,0,0|1,0,0]=3 4192 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,2,0,0,0,0|1,0,0]=3 4193 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,2,0,0,0,0|1,0,0]=3 4194 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,2,0,0,0,0|1,0,0]=3 4195 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,2,0,0,0,0|1,0,0]=3 4196 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,2,0,0,0,0|1,0,0]=3 4197 B9R0.45 CCCC=CC=NNCC 4a_100000756455_100016266791 [0,2,0,0,0,0|1,0,1]=4 4198 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,2,0,0,0,0|1,0,1]=4 4199 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,2,0,0,0,0|1,0,0]=3 4200 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,2,0,0,0,0|1,0,0]=3 4201 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,2,0,0,0,0|1,0,0]=3 4202 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,2,0,0,0,0|1,0,0]=3 4203 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [0,2,0,0,0,0|1,0,1]=4 4204 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [0,2,0,0,0,0|1,0,1]=4 4205 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,2,0,0,0,0|1,0,1]=4 4206 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,2,0,0,0,0|0,0,2]=4 4207 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,2,0,0,0,0|0,0,2]=4 4208 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,2,0,0,0,0|0,0,2]=4 4209 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,2,0,0,0,0|0,0,2]=4 4210 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,2,0,0,0,0|0,0,2]=4 4211 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,2,0,0,0,0|0,0,2]=4 4212 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,2,0,0,0,0|0,0,2]=4 4213 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,2,0,0,0,0|0,0,2]=4 4214 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,2,0,0,0,0|0,0,2]=4 4215 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,2,0,0,0,0|0,0,2]=4 4216 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,2,0,0,0,0|0,0,2]=4 4217 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,2,0,0,0,0|0,0,2]=4 4218 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,2,0,0,0,0|0,0,2]=4 4219 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,2,0,0,0,0|0,0,2]=4 4220 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,2,0,0,0,0|0,0,2]=4 4221 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,2,0,0,0,0|0,0,2]=4 4222 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,2,0,0,0,0|0,0,2]=4 4223 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,2,0,0,0,0|0,0,2]=4 4224 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,2,0,0,0,0|0,0,2]=4 4225 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,2,0,0,0,0|0,0,2]=4 4226 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,2,0,0,0,0|0,0,2]=4 4227 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,2,0,0,0,0|0,0,2]=4 4228 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,2,0,0,0,0|0,0,2]=4 4229 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,2,0,0,0,0|0,0,2]=4 4230 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,2,0,0,0,0|0,0,2]=4 4231 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,2,0,0,0,0|0,0,2]=4 4232 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,2,0,0,0,0|0,0,2]=4 4233 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,2,0,0,0,0|0,0,2]=4 4234 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,2,0,0,0,0|0,0,2]=4 4235 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,2,0,0,0,0|0,0,2]=4 4236 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,2,0,0,0,0|0,0,2]=4 4237 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,2,0,0,0,0|0,0,2]=4 4238 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,2,0,0,0,0|0,0,2]=4 4239 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,2,0,0,0,0|0,0,2]=4 4240 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,2,0,0,0,0|0,0,2]=4 4241 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,2,0,0,0,0|0,0,2]=4 4242 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,2,0,0,0,0|0,0,2]=4 4243 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,2,0,0,0,0|0,0,2]=4 4244 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,2,0,0,0,0|0,0,2]=4 4245 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,2,0,0,0,0|0,0,2]=4 4246 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,2,0,0,0,0|0,0,2]=4 4247 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,2,0,0,0,0|0,0,2]=4 4248 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,2,0,0,0,0|0,0,2]=4 4249 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,2,0,0,0,0|0,0,2]=4 4250 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,2,0,0,0,0|0,0,2]=4 4251 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,2,0,0,0,0|0,0,2]=4 4252 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,2,0,0,0,0|0,0,2]=4 4253 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,2,0,0,0,0|0,0,2]=4 4254 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,2,0,0,0,0|0,0,2]=4 4255 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,2,0,0,0,0|0,0,2]=4 4256 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,2,0,0,0,0|0,0,2]=4 4257 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,2,0,0,0,0|0,0,2]=4 4258 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,2,0,0,0,0|0,0,2]=4 4259 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,2,0,0,0,0|0,0,2]=4 4260 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,2,0,0,0,0|0,0,2]=4 4261 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,2,0,0,0,0|0,0,2]=4 4262 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,2,0,0,0,0|0,0,2]=4 4263 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,2,0,0,0,0|0,0,2]=4 4264 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,2,0,0,0,0|0,0,2]=4 4265 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,2,0,0,0,0|0,0,2]=4 4266 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,2,0,0,0,0|0,0,2]=4 4267 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,2,0,0,0,0|0,0,2]=4 4268 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,2,0,0,0,0|0,0,2]=4 4269 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,2,0,0,0,0|0,0,2]=4 4270 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,2,0,0,0,0|0,0,2]=4 4271 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,2,0,0,0,0|1,0,1]=4 4272 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,2,0,0,0,0|1,0,1]=4 4273 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,2,0,0,0,0|0,0,2]=4 4274 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,2,0,0,0,0|0,0,2]=4 4275 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,2,0,0,0,0|0,0,2]=4 4276 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,2,0,0,0,0|0,0,2]=4 4277 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,2,0,0,0,0|0,0,2]=4 4278 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,2,0,0,0,0|0,0,2]=4 4279 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,2,0,0,0,0|1,0,1]=4 4280 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,2,0,0,0,0|1,0,1]=4 4281 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,2,0,0,0,0|1,0,1]=4 4282 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,2,0,0,0,0|0,0,2]=4 4283 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,2,0,0,0,0|0,0,2]=4 4284 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,2,0,0,0,0|0,0,2]=4 4285 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,2,0,0,0,0|0,0,2]=4 4286 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,2,0,0,0,0|1,0,1]=4 4287 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,2,0,0,0,0|0,0,2]=4 4288 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,2,0,0,0,0|0,0,2]=4 4289 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,2,0,0,0,0|0,0,2]=4 4290 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,2,0,0,0,0|0,0,2]=4 4291 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,2,0,0,0,0|0,0,2]=4 4292 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,2,0,0,0,0|1,0,1]=4 4293 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,2,0,0,0,0|1,0,1]=4 4294 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,2,0,0,0,0|0,0,2]=4 4295 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,2,0,0,0,0|0,0,2]=4 4296 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,2,0,0,0,0|0,0,2]=4 4297 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,2,0,0,0,0|0,0,2]=4 4298 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,2,0,0,0,0|1,0,1]=4 4299 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,2,0,0,0,0|1,0,1]=4 4300 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,2,0,0,0,0|0,0,2]=4 4301 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,2,0,0,0,0|1,0,1]=4 4302 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,2,0,0,0,0|0,0,2]=4 4303 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,2,0,0,0,0|0,0,2]=4 4304 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,2,0,0,0,0|0,0,2]=4 4305 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,2,0,0,0,0|0,0,2]=4 4306 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,2,0,0,0,0|1,0,1]=4 4307 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,2,0,0,0,0|1,0,1]=4 4308 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,2,0,0,0,0|0,0,2]=4 4309 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,2,0,0,0,0|0,0,2]=4 4310 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,2,0,0,0,0|0,0,2]=4 4311 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,2,0,0,0,0|0,0,2]=4 4312 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,2,0,0,0,0|0,0,2]=4 4313 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,2,0,0,0,0|1,0,1]=4 4314 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,2,0,0,0,0|1,0,1]=4 4315 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,2,0,0,0,0|1,0,1]=4 4316 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [0,2,0,0,0,0|0,0,1]=3 4317 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,2,0,0,0,0|0,0,2]=4 4318 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,2,0,0,0,0|0,0,2]=4 4319 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,2,0,0,0,0|0,0,2]=4 4320 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,2,0,0,0,0|0,0,2]=4 4321 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,2,0,0,0,0|0,0,2]=4 4322 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,2,0,0,0,0|1,0,1]=4 4323 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,2,0,0,0,0|0,0,2]=4 4324 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,2,0,0,0,0|0,0,2]=4 4325 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,2,0,0,0,0|0,0,2]=4 4326 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,2,0,0,0,0|0,0,2]=4 4327 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,2,0,0,0,0|1,0,1]=4 4328 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,2,0,0,0,0|1,0,1]=4 4329 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,2,0,0,0,0|0,0,2]=4 4330 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,2,0,0,0,0|0,0,2]=4 4331 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,2,0,0,0,0|1,0,1]=4 4332 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,2,0,0,0,0|1,0,1]=4 4333 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,2,0,0,0,0|1,0,1]=4 4334 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,2,0,0,0,0|0,0,2]=4 4335 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,2,0,0,0,0|0,0,2]=4 4336 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,2,0,0,0,0|1,0,1]=4 4337 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,2,0,0,0,0|1,0,1]=4 4338 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,2,0,0,0,0|1,0,1]=4 4339 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,2,0,0,0,0|1,0,1]=4 4340 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,2,0,0,0,0|1,0,1]=4 4341 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,2,0,0,0,0|1,0,1]=4 4342 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,2,0,0,0,0|1,0,1]=4 4343 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,2,0,0,0,0|1,0,1]=4 4344 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,2,0,0,0,0|1,0,1]=4 4345 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,2,0,0,0,0|1,0,1]=4 4346 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,2,0,0,0,0|1,0,1]=4 4347 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,2,0,0,0,0|1,0,1]=4 4348 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,2,0,0,0,0|0,0,2]=4 4349 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,2,0,0,0,0|0,0,2]=4 4350 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,2,0,0,0,0|1,0,1]=4 4351 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,2,0,0,0,0|1,0,1]=4 4352 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,2,0,0,0,0|0,0,2]=4 4353 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,2,0,0,0,0|0,0,2]=4 4354 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,2,0,0,0,0|1,0,1]=4 4355 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,2,0,0,0,0|1,0,1]=4 4356 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,2,0,0,0,0|0,0,2]=4 4357 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,2,0,0,0,0|0,0,2]=4 4358 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,2,0,0,0,0|0,0,2]=4 4359 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,2,0,0,0,0|0,0,2]=4 4360 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,2,0,0,0,0|0,0,2]=4 4361 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,2,0,0,0,0|1,0,1]=4 4362 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,2,0,0,0,0|1,0,1]=4 4363 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,2,0,0,0,0|0,0,2]=4 4364 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,2,0,0,0,0|0,0,2]=4 4365 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,2,0,0,0,0|1,0,1]=4 4366 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,2,0,0,0,0|1,0,1]=4 4367 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,2,0,0,0,0|1,0,1]=4 4368 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,2,0,0,0,0|1,0,1]=4 4369 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,2,0,0,0,0|1,0,1]=4 4370 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,2,0,0,0,0|1,0,1]=4 4371 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,2,0,0,0,0|0,0,2]=4 4372 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,2,0,0,0,0|0,0,2]=4 4373 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,2,0,0,0,0|1,0,1]=4 4374 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,2,0,0,0,0|1,0,1]=4 4375 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,2,0,0,0,0|0,0,2]=4 4376 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,2,0,0,0,0|0,0,2]=4 4377 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,2,0,0,0,0|0,0,2]=4 4378 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,2,0,0,0,0|0,0,2]=4 4379 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,2,0,0,0,0|0,0,2]=4 4380 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,2,0,0,0,0|0,0,2]=4 4381 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,2,0,0,0,0|0,0,2]=4 4382 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,2,0,0,0,0|0,0,2]=4 4383 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,2,0,0,0,0|0,0,2]=4 4384 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,2,0,0,0,0|0,0,2]=4 4385 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,2,0,0,0,0|0,0,2]=4 4386 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,2,0,0,0,0|0,0,2]=4 4387 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,2,0,0,0,0|0,0,2]=4 4388 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,2,0,0,0,0|0,0,2]=4 4389 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,2,0,0,0,0|0,0,2]=4 4390 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,2,0,0,0,0|0,0,2]=4 4391 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,2,0,0,0,0|0,0,2]=4 4392 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,2,0,0,0,0|0,0,2]=4 4393 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,2,0,0,0,0|0,0,2]=4 4394 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,2,0,0,0,0|0,0,2]=4 4395 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,2,0,0,0,0|0,0,2]=4 4396 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,2,0,0,0,0|0,0,2]=4 4397 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,2,0,0,0,0|0,0,2]=4 4398 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,2,0,0,0,0|0,0,2]=4 4399 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,2,0,0,0,0|1,0,1]=4 4400 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,2,0,0,0,0|0,0,2]=4 4401 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,2,0,0,0,0|0,0,2]=4 4402 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,2,0,0,0,0|1,0,1]=4 4403 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,2,0,0,0,0|1,0,1]=4 4404 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,2,0,0,0,0|1,0,1]=4 4405 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,2,0,0,0,0|0,0,2]=4 4406 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,2,0,0,0,0|1,0,1]=4 4407 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,2,0,0,0,0|1,0,1]=4 4408 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,2,0,0,0,0|1,0,1]=4 4409 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,2,0,0,0,0|0,0,2]=4 4410 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,2,0,0,0,0|0,0,2]=4 4411 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,2,0,0,0,0|1,0,1]=4 4412 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,2,0,0,0,0|1,0,1]=4 4413 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,2,0,0,0,0|1,0,1]=4 4414 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,2,0,0,0,0|1,0,1]=4 4415 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,2,0,0,0,0|1,0,1]=4 4416 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,2,0,0,0,0|1,0,1]=4 4417 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,2,0,0,0,0|1,0,1]=4 4418 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,2,0,0,0,0|0,0,2]=4 4419 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,2,0,0,0,0|1,0,1]=4 4420 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,2,0,0,0,0|1,0,1]=4 4421 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,2,0,0,0,0|1,0,1]=4 4422 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,2,0,0,0,0|1,0,1]=4 4423 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,2,0,0,0,0|1,0,1]=4 4424 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,2,0,0,0,0|1,0,1]=4 4425 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,2,0,0,0,0|1,0,1]=4 4426 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,2,0,0,0,0|1,0,1]=4 4427 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,2,0,0,0,0|1,0,1]=4 4428 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,2,0,0,0,0|1,0,1]=4 4429 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,2,0,0,0,0|0,0,2]=4 4430 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,2,0,0,0,0|1,0,1]=4 4431 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,2,0,0,0,0|1,0,1]=4 4432 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,2,0,0,0,0|1,0,1]=4 4433 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,2,0,0,0,0|1,0,1]=4 4434 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,2,0,0,0,0|1,0,1]=4 4435 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,2,0,0,0,0|1,0,1]=4 4436 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,2,0,0,0,0|1,0,1]=4 4437 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,2,0,0,0,0|1,0,1]=4 4438 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,2,0,0,0,0|0,0,2]=4 4439 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,2,0,0,0,0|0,0,2]=4 4440 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,2,0,0,0,0|1,0,1]=4 4441 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,2,0,0,0,0|1,0,1]=4 4442 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,2,0,0,0,0|1,0,1]=4 4443 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,2,0,0,0,0|1,0,1]=4 4444 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,2,0,0,0,0|0,0,2]=4 4445 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,2,0,0,0,0|0,0,2]=4 4446 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,2,0,0,0,0|0,0,2]=4 4447 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,2,0,0,0,0|0,0,2]=4 4448 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,2,0,0,0,0|1,0,1]=4 4449 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,2,0,0,0,0|1,0,1]=4 4450 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,2,0,0,0,0|1,0,1]=4 4451 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,2,0,0,0,0|0,0,2]=4 4452 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,2,0,0,0,0|0,0,2]=4 4453 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,2,0,0,0,0|0,0,2]=4 4454 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,2,0,0,0,0|1,0,1]=4 4455 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,2,0,0,0,0|1,0,1]=4 4456 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,2,0,0,0,0|0,0,2]=4 4457 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,2,0,0,0,0|0,0,2]=4 4458 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,2,0,0,0,0|1,0,1]=4 4459 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,2,0,0,0,0|1,0,1]=4 4460 B9R0.45 CSCCC=NNCCO 4a_100000210001_100000210997 [0,2,0,0,0,0|1,0,1]=4 4461 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,2,0,0,0,0|0,0,2]=4 4462 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,2,0,0,0,0|0,0,2]=4 4463 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,2,0,0,0,0|0,0,2]=4 4464 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,2,0,0,0,0|0,0,2]=4 4465 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,2,0,0,0,0|0,0,2]=4 4466 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,2,0,0,0,0|0,0,2]=4 4467 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,2,0,0,0,0|0,0,2]=4 4468 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,2,0,0,0,0|0,0,2]=4 4469 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,2,0,0,0,0|0,0,2]=4 4470 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,2,0,0,0,0|0,0,2]=4 4471 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,2,0,0,0,0|0,0,2]=4 4472 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,2,0,0,0,0|0,0,2]=4 4473 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,2,0,0,0,0|0,0,2]=4 4474 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,2,0,0,0,0|0,0,2]=4 4475 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,2,0,0,0,0|0,0,2]=4 4476 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,2,0,0,0,0|0,0,2]=4 4477 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [0,2,0,0,0,0|1,0,1]=4 4478 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [0,2,0,0,0,0|1,0,1]=4 4479 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,2,0,0,0,0|1,0,1]=4 4480 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,2,0,0,0,0|0,0,2]=4 4481 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,2,0,0,0,0|0,0,2]=4 4482 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,2,0,0,0,0|1,0,1]=4 4483 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,2,0,0,0,0|1,0,1]=4 4484 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,2,0,0,0,0|1,0,1]=4 4485 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,2,0,0,0,0|1,0,1]=4 4486 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [0,2,0,0,0,0|1,0,1]=4 4487 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,2,0,0,0,0|1,0,1]=4 4488 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,2,0,0,0,0|1,0,1]=4 4489 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,2,0,0,0,0|0,0,2]=4 4490 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,2,0,0,0,0|0,0,2]=4 4491 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,2,0,0,0,0|0,0,2]=4 4492 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,2,0,0,0,0|0,0,2]=4 4493 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [0,2,0,0,0,0|1,0,1]=4 4494 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [0,2,0,0,0,0|1,0,1]=4 4495 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,2,0,0,0,0|1,0,1]=4 4496 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,2,0,0,0,0|1,0,1]=4 4497 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,2,0,0,0,0|1,0,1]=4 4498 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,2,0,0,0,0|0,0,2]=4 4499 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,2,0,0,0,0|0,0,2]=4 4500 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,2,0,0,0,0|0,0,2]=4 4501 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,2,0,0,0,0|0,0,2]=4 4502 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,2,0,0,0,0|0,0,2]=4 4503 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,2,0,0,0,0|0,0,2]=4 4504 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,2,0,0,0,0|0,0,2]=4 4505 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,2,0,0,0,0|0,0,2]=4 4506 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,2,0,0,0,0|0,0,2]=4 4507 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,2,0,0,0,0|0,0,2]=4 4508 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,2,0,0,0,0|0,0,2]=4 4509 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,2,0,0,0,0|0,0,2]=4 4510 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,2,0,0,0,0|0,0,2]=4 4511 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,2,0,0,0,0|0,0,2]=4 4512 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,2,0,0,0,0|0,0,2]=4 4513 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,2,0,0,0,0|0,0,2]=4 4514 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,2,0,0,0,0|0,0,2]=4 4515 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,2,0,0,0,0|0,0,2]=4 4516 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,2,0,0,0,0|0,0,2]=4 4517 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,2,0,0,0,0|0,0,2]=4 4518 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,2,0,0,0,0|0,0,2]=4 4519 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,2,0,0,0,0|0,0,2]=4 4520 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,2,0,0,0,0|0,0,2]=4 4521 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,2,0,0,0,0|0,0,2]=4 4522 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,2,0,0,0,0|0,0,2]=4 4523 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,2,0,0,0,0|0,0,2]=4 4524 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,2,0,0,0,0|0,0,2]=4 4525 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,2,0,0,0,0|0,0,2]=4 4526 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,2,0,0,0,0|0,0,2]=4 4527 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,2,0,0,0,0|0,0,2]=4 4528 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,2,0,0,0,0|0,0,2]=4 4529 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,2,0,0,0,0|0,0,2]=4 4530 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,2,0,0,0,0|0,0,2]=4 4531 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,2,0,0,0,0|0,0,2]=4 4532 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,2,0,0,0,0|0,0,2]=4 4533 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,2,0,0,0,0|0,0,2]=4 4534 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,2,0,0,0,0|0,0,2]=4 4535 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,2,0,0,0,0|0,0,2]=4 4536 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,2,0,0,0,0|1,0,1]=4 4537 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,2,0,0,0,0|1,0,1]=4 4538 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,2,0,0,0,0|1,0,1]=4 4539 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,2,0,0,0,0|1,0,1]=4 4540 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,2,0,0,0,0|1,0,1]=4 4541 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,2,0,0,0,0|0,0,2]=4 4542 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,2,0,0,0,0|0,0,2]=4 4543 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,2,0,0,0,0|0,0,2]=4 4544 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,2,0,0,0,0|0,0,2]=4 4545 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,2,0,0,0,0|0,0,2]=4 4546 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,2,0,0,0,0|0,0,2]=4 4547 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [0,2,0,0,0,0|1,0,1]=4 4548 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [0,2,0,0,0,0|1,0,1]=4 4549 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [0,2,0,0,0,0|1,0,1]=4 4550 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [0,2,0,0,0,0|1,0,1]=4 4551 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [0,2,0,0,0,0|1,0,1]=4 4552 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [0,2,0,0,0,0|1,0,1]=4 4553 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [0,2,0,0,0,0|1,0,1]=4 4554 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [0,2,0,0,0,0|1,0,1]=4 4555 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [0,2,0,0,0,0|1,0,1]=4 4556 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [0,2,0,0,0,0|1,0,1]=4 4557 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [0,2,0,0,0,0|1,0,1]=4 4558 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [0,2,0,0,0,0|1,0,1]=4 4559 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,2,0,0,0,0|1,0,1]=4 4560 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,2,0,0,0,0|1,0,1]=4 4561 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,2,0,0,0,0|1,0,1]=4 4562 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,2,0,0,0,0|1,0,1]=4 4563 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,2,0,0,0,0|0,0,2]=4 4564 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,2,0,0,0,0|0,0,2]=4 4565 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,2,0,0,0,0|1,0,1]=4 4566 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,2,0,0,0,0|0,0,2]=4 4567 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,2,0,0,0,0|0,0,2]=4 4568 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,2,0,0,0,0|0,0,2]=4 4569 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,2,0,0,0,0|0,0,2]=4 4570 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,2,0,0,0,0|0,0,2]=4 4571 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,2,0,0,0,0|0,0,2]=4 4572 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,2,0,0,0,0|0,0,2]=4 4573 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,2,0,0,0,0|1,0,1]=4 4574 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,2,0,0,0,0|0,0,2]=4 4575 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,2,0,0,0,0|0,0,2]=4 4576 B9R0.46 C#C/C(=C\COCCO)/C 34a_100016990848_100000211926 [0,2,0,0,0,0|0,0,2]=4 4577 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,2,0,0,0,0|0,0,2]=4 4578 B9R0.46 C#CC(C)NC/C=C\CC 2230a_100000707721_100103147603 [0,2,0,0,0,0|1,0,1]=4 4579 B9R0.46 C#CC(C)NC/C=C\CC 34a_100000707721_100103147603 [0,2,0,0,0,0|1,0,1]=4 4580 B9R0.46 C#CC(C)NCCCCO 2230a_100000707721_100000210776 [0,2,0,0,0,0|1,0,1]=4 4581 B9R0.46 C#CC(C)NCCCCO 34a_100000707721_100011216708 [0,2,0,0,0,0|1,0,1]=4 4582 B9R0.46 C#CC(C)NCCCCO 34a_100000750430_200000035995 [0,2,0,0,0,0|1,0,1]=4 4583 B9R0.46 C#CC(C)OC/C=C\CC 34a_100016268518_200000035995 [0,2,0,0,0,0|1,0,1]=4 4584 B9R0.46 C#CC(C)SC/C=C\CC 62a_200000035995_100103147603 [0,2,0,0,0,0|1,0,1]=4 4585 B9R0.46 C#CC(C)SCCCCO 62a_200000035995_100000210776 [0,2,0,0,0,0|1,0,1]=4 4586 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,2,0,0,0,0|1,0,1]=4 4587 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,2,0,0,0,0|1,0,1]=4 4588 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,2,0,0,0,0|2,0,0]=4 4589 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,2,0,0,0,0|2,0,0]=4 4590 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,2,0,0,0,0|2,0,0]=4 4591 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,2,0,0,0,0|2,0,0]=4 4592 B9R0.46 C#C[C@@H](C)OC/C=C\CC 34a_100009815206_100103147603 [0,2,0,0,0,0|1,0,1]=4 4593 B9R0.46 C#C[C@@H](C)OC/C=C\CC 7a_100009815206_100103147603 [0,2,0,0,0,0|1,0,1]=4 4594 B9R0.46 C#C[C@@H](C)OCCCCO 34a_100009815206_100011216708 [0,2,0,0,0,0|1,0,1]=4 4595 B9R0.46 C#C[C@@H](C)OCCCCO 7a_100009815206_100000210776 [0,2,0,0,0,0|1,0,1]=4 4596 B9R0.46 C/C=C(\C)/C=NNCCO 4a_100000210001_100020587592 [0,2,0,0,0,0|1,0,1]=4 4597 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [0,2,0,0,0,0|0,0,2]=4 4598 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [0,2,0,0,0,0|0,0,2]=4 4599 B9R0.46 C/C=C/CNC[C@@H](F)CO 34a_100015665980_100102629194 [0,2,0,0,0,0|0,0,2]=4 4600 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [0,2,0,0,0,0|0,0,2]=4 4601 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [0,2,0,0,0,0|0,0,2]=4 4602 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [0,2,0,0,0,0|0,0,2]=4 4603 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [0,2,0,0,0,0|0,0,2]=4 4604 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [0,2,0,0,0,0|0,0,2]=4 4605 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [0,2,0,0,0,0|0,0,2]=4 4606 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [0,2,0,0,0,0|0,0,2]=4 4607 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [0,2,0,0,0,0|0,0,2]=4 4608 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [0,2,0,0,0,0|0,0,2]=4 4609 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,2,0,0,0,0|0,0,2]=4 4610 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [0,2,0,0,0,0|1,0,1]=4 4611 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [0,2,0,0,0,0|1,0,1]=4 4612 B9R0.46 C=CC(C)OC/C=C\CC 34a_100000695699_100103147603 [0,2,0,0,0,0|1,0,1]=4 4613 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [0,2,0,0,0,0|1,0,1]=4 4614 B9R0.46 C=CC(C)SC/C=C\CC 62a_100011215867_100103147603 [0,2,0,0,0,0|1,0,1]=4 4615 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [0,2,0,0,0,0|1,0,1]=4 4616 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|1,0,1]=4 4617 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|1,0,1]=4 4618 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,2,0,0,0,0|2,0,0]=4 4619 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,2,0,0,0,0|2,0,0]=4 4620 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,2,0,0,0,0|2,0,0]=4 4621 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,2,0,0,0,0|2,0,0]=4 4622 B9R0.46 CC(C#N)NCCCCO 2230a_100000737613_100000210776 [0,2,0,0,0,0|1,0,1]=4 4623 B9R0.46 CC(C#N)NCCCCO 2230a_100000750430_100000184139 [0,2,0,0,0,0|1,0,1]=4 4624 B9R0.46 CC(C#N)OCCCCO 34a_100011218135_100011216708 [0,2,0,0,0,0|1,0,1]=4 4625 B9R0.46 CC(C#N)SCCCCO 62a_100000210776_100000703298 [0,2,0,0,0,0|1,0,1]=4 4626 B9R0.46 CC(C#N)SCCCCO 62a_100000703298_100000210776 [0,2,0,0,0,0|1,0,1]=4 4627 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [0,2,0,0,0,0|1,0,1]=4 4628 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [0,2,0,0,0,0|1,0,1]=4 4629 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,2,0,0,0,0|1,0,1]=4 4630 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|1,0,1]=4 4631 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [0,2,0,0,0,0|1,0,1]=4 4632 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [0,2,0,0,0,0|1,0,1]=4 4633 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,2,0,0,0,0|1,0,1]=4 4634 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,2,0,0,0,0|1,0,1]=4 4635 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,2,0,0,0,0|1,0,1]=4 4636 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,2,0,0,0,0|1,0,1]=4 4637 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,2,0,0,0,0|1,0,1]=4 4638 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,2,0,0,0,0|1,0,1]=4 4639 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,2,0,0,0,0|1,0,1]=4 4640 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|1,0,0]=3 4641 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|0,0,0]=2 4642 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [0,2,0,0,0,0|1,0,0]=3 4643 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [0,2,0,0,0,0|1,0,0]=3 4644 B9R0.46 CC/C=C\CNC(C)C#N 2230a_100000737613_100103147603 [0,2,0,0,0,0|1,0,1]=4 4645 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [0,2,0,0,0,0|1,0,0]=3 4646 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [0,2,0,0,0,0|0,0,0]=2 4647 B9R0.46 CC/C=C\COC(C)C#N 34a_100011218135_100103147603 [0,2,0,0,0,0|1,0,1]=4 4648 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [0,2,0,0,0,0|1,0,0]=3 4649 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [0,2,0,0,0,0|1,0,0]=3 4650 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [0,2,0,0,0,0|1,0,0]=3 4651 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [0,2,0,0,0,0|1,0,0]=3 4652 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [0,2,0,0,0,0|1,0,0]=3 4653 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [0,2,0,0,0,0|0,0,0]=2 4654 B9R0.46 CC/C=C\CSC(C)C#N 62a_100000703298_100103147603 [0,2,0,0,0,0|1,0,1]=4 4655 B9R0.46 CC/C=C\CSC(C)C#N 62a_100103147603_100000703298 [0,2,0,0,0,0|1,0,1]=4 4656 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [0,2,0,0,0,0|1,0,0]=3 4657 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [0,2,0,0,0,0|1,0,0]=3 4658 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [0,2,0,0,0,0|0,0,0]=2 4659 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [0,2,0,0,0,0|1,0,0]=3 4660 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [0,2,0,0,0,0|1,0,0]=3 4661 B9R0.46 CC/C=C\CSC(F)C#N 62a_100103147603_200000117898 [0,2,0,0,0,0|1,0,1]=4 4662 B9R0.46 CC/C=C\CSC(F)C#N 62a_200000117898_100103147603 [0,2,0,0,0,0|1,0,1]=4 4663 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [0,2,0,0,0,0|0,0,0]=2 4664 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [0,2,0,0,0,0|0,0,0]=2 4665 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [0,2,0,0,0,0|0,0,2]=4 4666 B9R0.46 CC=CCNC[C@@H](F)CO 34a_100015665980_100000070051 [0,2,0,0,0,0|0,0,2]=4 4667 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,2,0,0,0,0|0,0,2]=4 4668 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [0,2,0,0,0,0|0,0,2]=4 4669 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [0,2,0,0,0,0|0,0,2]=4 4670 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [0,2,0,0,0,0|0,0,2]=4 4671 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [0,2,0,0,0,0|0,0,2]=4 4672 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [0,2,0,0,0,0|0,0,2]=4 4673 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [0,2,0,0,0,0|0,0,2]=4 4674 B9R0.46 CCC#CCN[C@H](C)CO 2230a_100000737577_100009813939 [0,2,0,0,0,0|0,0,2]=4 4675 B9R0.46 CCC#CCOC(C)CO 34a_100000032950_100012180447 [0,2,0,0,0,0|0,0,2]=4 4676 B9R0.46 CCC#CCSC(C)CO 62a_100012180447_100009813939 [0,2,0,0,0,0|0,0,2]=4 4677 B9R0.46 CCC#CCS[C@H](C)CO 62a_100009813939_100016084084 [0,2,0,0,0,0|0,0,2]=4 4678 B9R0.46 CCC#CCS[C@H](C)CO 62a_100016084084_100009813939 [0,2,0,0,0,0|0,0,2]=4 4679 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,2,0,0,0,0|1,0,1]=4 4680 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,2,0,0,0,0|1,0,1]=4 4681 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,2,0,0,0,0|0,0,1]=3 4682 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,2,0,0,0,0|0,0,1]=3 4683 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,2,0,0,0,0|0,0,1]=3 4684 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,2,0,0,0,0|0,0,1]=3 4685 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,2,0,0,0,0|0,0,1]=3 4686 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,2,0,0,0,0|1,0,1]=4 4687 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,2,0,0,0,0|0,0,1]=3 4688 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,2,0,0,0,0|1,0,1]=4 4689 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,2,0,0,0,0|1,0,1]=4 4690 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|1,0,1]=4 4691 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|1,0,1]=4 4692 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|0,0,1]=3 4693 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|0,0,1]=3 4694 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|1,0,1]=4 4695 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|1,0,1]=4 4696 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,2,0,0,0,0|0,0,1]=3 4697 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,2,0,0,0,0|0,0,1]=3 4698 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 4699 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 4700 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 4701 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,2,0,0,0,0|1,1,0]=4 4702 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,2,0,0,0,0|1,1,0]=4 4703 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,2,0,0,0,0|1,1,0]=4 4704 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,2,0,0,0,0|1,1,0]=4 4705 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,2,0,0,0,0|2,0,0]=4 4706 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,2,0,0,0,0|2,0,0]=4 4710 B9R0.46 CCC(C)C=NNCCO 4a_100000210001_100000243153 [0,2,0,0,0,0|1,0,1]=4 4711 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,2,0,0,0,0|0,0,2]=4 4712 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,2,0,0,0,0|0,0,2]=4 4713 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,2,0,0,0,0|0,0,2]=4 4714 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,2,0,0,0,0|0,0,2]=4 4715 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,2,0,0,0,0|0,0,2]=4 4716 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,2,0,0,0,0|0,0,2]=4 4717 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,2,0,0,0,0|0,0,2]=4 4718 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,2,0,0,0,0|0,0,2]=4 4719 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,2,0,0,0,0|0,0,2]=4 4720 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,2,0,0,0,0|1,0,1]=4 4721 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,2,0,0,0,0|1,0,1]=4 4722 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,2,0,0,0,0|0,0,2]=4 4723 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,2,0,0,0,0|1,0,1]=4 4724 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,2,0,0,0,0|1,0,1]=4 4725 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,2,0,0,0,0|0,0,2]=4 4726 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,2,0,0,0,0|0,0,2]=4 4727 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,2,0,0,0,0|1,0,1]=4 4728 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,2,0,0,0,0|1,0,1]=4 4729 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,2,0,0,0,0|0,0,2]=4 4730 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,2,0,0,0,0|0,0,2]=4 4731 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,2,0,0,0,0|0,0,2]=4 4732 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|1,0,1]=4 4733 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,2,0,0,0,0|1,0,1]=4 4734 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [0,2,0,0,0,0|2,0,0]=4 4735 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|1,0,0]=3 4736 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,2,0,0,0,0|1,0,1]=4 4737 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|1,0,1]=4 4738 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|1,0,1]=4 4739 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|1,0,1]=4 4740 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,2,0,0,0,0|1,0,1]=4 4741 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,2,0,0,0,0|1,0,1]=4 4742 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,2,0,0,0,0|0,0,2]=4 4743 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,2,0,0,0,0|0,0,2]=4 4744 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,2,0,0,0,0|0,0,2]=4 4745 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,2,0,0,0,0|0,0,2]=4 4746 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,2,0,0,0,0|0,0,2]=4 4747 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,2,0,0,0,0|0,0,2]=4 4748 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,2,0,0,0,0|1,0,1]=4 4749 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,2,0,0,0,0|1,0,1]=4 4750 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,2,0,0,0,0|1,0,1]=4 4751 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,2,0,0,0,0|1,0,1]=4 4752 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,2,0,0,0,0|0,0,2]=4 4753 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,2,0,0,0,0|0,0,2]=4 4754 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,2,0,0,0,0|0,0,2]=4 4755 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,2,0,0,0,0|0,0,2]=4 4756 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,2,0,0,0,0|0,0,2]=4 4757 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,2,0,0,0,0|0,0,2]=4 4758 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,2,0,0,0,0|0,0,2]=4 4759 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,2,0,0,0,0|1,0,1]=4 4760 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,2,0,0,0,0|0,0,2]=4 4761 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,2,0,0,0,0|0,0,2]=4 4762 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,2,0,0,0,0|0,0,2]=4 4763 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,2,0,0,0,0|0,0,2]=4 4764 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,2,0,0,0,0|0,0,2]=4 4765 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,2,0,0,0,0|0,0,2]=4 4766 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,2,0,0,0,0|0,0,2]=4 4767 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,2,0,0,0,0|0,0,2]=4 4768 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,2,0,0,0,0|0,0,2]=4 4769 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,2,0,0,0,0|2,0,0]=4 4770 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|1,0,1]=4 4771 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|1,0,1]=4 4772 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|1,0,1]=4 4773 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|1,0,1]=4 4774 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,2,0,0,0,0|0,0,2]=4 4775 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,2,0,0,0,0|0,0,2]=4 4776 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,2,0,0,0,0|0,0,2]=4 4777 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,2,0,0,0,0|0,0,2]=4 4778 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,2,0,0,0,0|0,0,2]=4 4779 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,2,0,0,0,0|0,0,2]=4 4780 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|1,0,1]=4 4781 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|1,0,1]=4 4782 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|1,0,1]=4 4783 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,2,0,0,0,0|0,0,2]=4 4784 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,2,0,0,0,0|0,0,2]=4 4785 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,2,0,0,0,0|0,0,2]=4 4786 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,2,0,0,0,0|0,0,2]=4 4787 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,2,0,0,0,0|0,0,2]=4 4788 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,2,0,0,0,0|0,0,2]=4 4789 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,2,0,0,0,0|0,0,2]=4 4790 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,2,0,0,0,0|0,0,2]=4 4791 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|1,0,1]=4 4792 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|1,0,1]=4 4793 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,2,0,0,0,0|1,0,1]=4 4794 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,2,0,0,0,0|0,0,2]=4 4795 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,2,0,0,0,0|0,0,2]=4 4796 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,2,0,0,0,0|0,0,2]=4 4797 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,2,0,0,0,0|0,0,2]=4 4798 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,2,0,0,0,0|1,0,1]=4 4799 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,2,0,0,0,0|1,0,1]=4 4800 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [0,2,0,0,0,0|1,0,1]=4 4801 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [0,2,0,0,0,0|1,0,1]=4 4802 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [0,2,0,0,0,0|1,0,1]=4 4803 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [0,2,0,0,0,0|1,0,1]=4 4804 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,2,0,0,0,0|2,0,0]=4 4805 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,2,0,0,0,0|1,0,1]=4 4806 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|1,0,1]=4 4807 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,2,0,0,0,0|2,0,0]=4 4808 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,2,0,0,0,0|2,0,0]=4 4809 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,2,0,0,0,0|2,0,0]=4 4810 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,2,0,0,0,0|2,0,0]=4 4811 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,2,0,0,0,0|2,0,0]=4 4812 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,2,0,0,0,0|2,0,0]=4 4813 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,2,0,0,0,0|1,0,1]=4 4814 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,2,0,0,0,0|1,0,1]=4 4815 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,2,0,0,0,0|1,0,1]=4 4816 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,2,0,0,0,0|2,0,0]=4 4817 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,2,0,0,0,0|1,0,1]=4 4818 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,2,0,0,0,0|1,0,1]=4 4819 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,2,0,0,0,0|1,0,1]=4 4820 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,2,0,0,0,0|1,0,1]=4 4821 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,2,0,0,0,0|1,0,1]=4 4822 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,2,0,0,0,0|1,0,1]=4 4823 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,2,0,0,0,0|1,0,1]=4 4824 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,2,0,0,0,0|1,0,1]=4 4825 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,2,0,0,0,0|1,0,1]=4 4826 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,2,0,0,0,0|1,0,1]=4 4827 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,2,0,0,0,0|1,0,1]=4 4828 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,2,0,0,0,0|2,0,0]=4 4829 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,2,0,0,0,0|2,0,0]=4 4830 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,2,0,0,0,0|2,0,0]=4 4831 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,2,0,0,0,0|2,0,0]=4 4832 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [0,2,0,0,0,0|1,0,1]=4 4833 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [0,2,0,0,0,0|1,0,1]=4 4834 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [0,2,0,0,0,0|1,0,1]=4 4835 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [0,2,0,0,0,0|1,0,1]=4 4836 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,2,0,0,0,0|1,0,1]=4 4837 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,2,0,0,0,0|1,0,1]=4 4838 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,2,0,0,0,0|1,0,1]=4 4839 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,2,0,0,0,0|0,0,2]=4 4840 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,2,0,0,0,0|0,0,2]=4 4841 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,2,0,0,0,0|0,0,2]=4 4842 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,2,0,0,0,0|1,0,1]=4 4843 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,2,0,0,0,0|1,0,1]=4 4844 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,2,0,0,0,0|1,0,1]=4 4845 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,2,0,0,0,0|1,0,1]=4 4846 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,2,0,0,0,0|1,0,1]=4 4847 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,2,0,0,0,0|1,0,1]=4 4848 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,2,0,0,0,0|1,0,1]=4 4849 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,2,0,0,0,0|1,0,1]=4 4850 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,2,0,0,0,0|1,0,1]=4 4851 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,2,0,0,0,0|1,0,1]=4 4852 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,2,0,0,0,0|1,0,1]=4 4853 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,2,0,0,0,0|1,0,1]=4 4854 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,2,0,0,0,0|1,0,1]=4 4855 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,2,0,0,0,0|1,0,1]=4 4856 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,2,0,0,0,0|1,0,1]=4 4857 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,2,0,0,0,0|1,0,1]=4 4858 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,2,0,0,0,0|1,0,1]=4 4859 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,2,0,0,0,0|1,0,1]=4 4860 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,2,0,0,0,0|1,0,1]=4 4861 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,2,0,0,0,0|1,0,1]=4 4862 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,2,0,0,0,0|2,0,0]=4 4863 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,2,0,0,0,0|2,0,0]=4 4864 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,2,0,0,0,0|2,0,0]=4 4865 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,2,0,0,0,0|2,0,0]=4 4867 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,2,0,0,0,0|2,0,0]=4 4868 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,2,0,0,0,0|1,0,1]=4 4869 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,2,0,0,0,0|1,0,1]=4 4870 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,2,0,0,0,0|1,0,1]=4 4871 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,2,0,0,0,0|1,0,1]=4 4872 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,2,0,0,0,0|1,0,1]=4 4873 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,2,0,0,0,0|1,0,1]=4 4874 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|1,0,1]=4 4875 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|1,0,1]=4 4876 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,2,0,0,0,0|2,0,0]=4 4877 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,2,0,0,0,0|1,0,1]=4 4878 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,2,0,0,0,0|1,0,1]=4 4879 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,2,0,0,0,0|1,0,1]=4 4880 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|1,0,1]=4 4881 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,2,0,0,0,0|1,0,1]=4 4882 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,2,0,0,0,0|1,0,1]=4 4883 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,2,0,0,0,0|1,0,1]=4 4884 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|2,0,0]=4 4885 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|2,0,0]=4 4886 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,2,0,0,0,0|1,0,1]=4 4887 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,2,0,0,0,0|1,0,1]=4 4888 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,2,0,0,0,0|1,0,1]=4 4889 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,2,0,0,0,0|1,0,1]=4 4890 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,2,0,0,0,0|1,0,1]=4 4891 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,2,0,0,0,0|1,0,1]=4 4892 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,2,0,0,0,0|1,0,1]=4 4893 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,2,0,0,0,0|1,0,1]=4 4894 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,2,0,0,0,0|1,0,1]=4 4895 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,2,0,0,0,0|1,0,1]=4 4896 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,2,0,0,0,0|1,0,1]=4 4897 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,2,0,0,0,0|1,0,1]=4 4898 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,2,0,0,0,0|1,0,1]=4 4899 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,2,0,0,0,0|1,0,1]=4 4900 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,2,0,0,0,0|1,0,1]=4 4901 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [0,2,0,0,0,0|1,0,1]=4 4902 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,2,0,0,0,0|1,0,1]=4 4903 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,2,0,0,0,0|1,0,1]=4 4904 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,2,0,0,0,0|1,0,1]=4 4905 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,2,0,0,0,0|1,0,1]=4 4906 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,2,0,0,0,0|1,0,1]=4 4907 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,2,0,0,0,0|1,0,1]=4 4908 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,2,0,0,0,0|1,0,1]=4 4909 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,2,0,0,0,0|1,0,1]=4 4910 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,2,0,0,0,0|1,0,1]=4 4911 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,2,0,0,0,0|1,0,1]=4 4912 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,2,0,0,0,0|1,0,1]=4 4913 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,2,0,0,0,0|1,0,1]=4 4914 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,2,0,0,0,0|1,0,1]=4 4915 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,2,0,0,0,0|1,0,1]=4 4916 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,2,0,0,0,0|1,0,1]=4 4917 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,2,0,0,0,0|1,0,1]=4 4918 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,2,0,0,0,0|1,0,1]=4 4919 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,2,0,0,0,0|1,0,1]=4 4920 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,2,0,0,0,0|1,0,1]=4 4921 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [0,2,0,0,0,0|1,0,1]=4 4922 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [0,2,0,0,0,0|1,0,1]=4 4923 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,2,0,0,0,0|1,0,1]=4 4924 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,2,0,0,0,0|1,0,1]=4 4925 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,2,0,0,0,0|1,0,1]=4 4926 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,2,0,0,0,0|1,0,1]=4 4927 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,2,0,0,0,0|1,0,1]=4 4928 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,2,0,0,0,0|1,0,1]=4 4929 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,2,0,0,0,0|1,0,1]=4 4930 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,2,0,0,0,0|1,0,1]=4 4931 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,2,0,0,0,0|1,0,1]=4 4932 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,2,0,0,0,0|1,0,1]=4 4933 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,2,0,0,0,0|1,0,1]=4 4934 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,2,0,0,0,0|1,0,1]=4 4935 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,2,0,0,0,0|1,0,1]=4 4936 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,2,0,0,0,0|1,0,1]=4 4937 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,2,0,0,0,0|1,0,1]=4 4938 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,2,0,0,0,0|1,0,1]=4 4939 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,2,0,0,0,0|1,0,1]=4 4940 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,2,0,0,0,0|1,0,1]=4 4941 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|1,0,1]=4 4942 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|1,0,1]=4 4943 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|1,0,1]=4 4944 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|1,0,1]=4 4945 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,2,0,0,0,0|1,0,1]=4 4946 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,2,0,0,0,0|1,0,1]=4 4947 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,2,0,0,0,0|1,0,1]=4 4948 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,2,0,0,0,0|1,0,1]=4 4949 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,2,0,0,0,0|1,0,1]=4 4950 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,2,0,0,0,0|1,0,1]=4 4951 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,2,0,0,0,0|1,0,1]=4 4952 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,2,0,0,0,0|1,0,1]=4 4953 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,2,0,0,0,0|1,0,1]=4 4954 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,2,0,0,0,0|1,0,1]=4 4955 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,2,0,0,0,0|1,0,1]=4 4956 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,2,0,0,0,0|1,0,1]=4 4957 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,2,0,0,0,0|1,0,1]=4 4958 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,2,0,0,0,0|1,0,1]=4 4959 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,2,0,0,0,0|1,0,1]=4 4960 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,2,0,0,0,0|1,0,1]=4 4961 B9R0.46 OCCNN=CC(O)CO 4a_100000210001_100000033539 [0,2,0,0,0,0|2,0,0]=4 4962 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,2,0,0,0,0|1,0,1]=4 4963 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,2,0,0,0,0|1,0,1]=4 4964 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,2,0,0,0,0|1,0,1]=4 4965 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,2,0,0,0,0|1,0,1]=4 4966 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,2,0,0,0,0|1,0,1]=4 4967 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,2,0,0,0,0|1,0,1]=4 4968 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,2,0,0,0,0|1,0,1]=4 4969 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,2,0,0,0,0|1,0,1]=4 4970 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,2,0,0,0,0|1,0,1]=4 4971 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [0,2,0,0,0,0|1,0,1]=4 4972 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [0,2,0,0,0,0|1,0,1]=4 4973 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [0,2,0,0,0,0|1,0,1]=4 4974 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,2,0,0,0,0|1,0,1]=4 4975 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,2,0,0,0,0|1,0,1]=4 4976 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,2,0,0,0,0|1,0,1]=4 4977 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,2,0,0,0,0|1,0,1]=4 4978 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,2,0,0,0,0|1,0,1]=4 4979 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,2,0,0,0,0|1,0,1]=4 4980 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [0,2,0,0,0,0|1,0,1]=4 4981 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [0,2,0,0,0,0|1,0,1]=4 4982 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,2,0,0,0,0|1,0,1]=4 4983 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,2,0,0,0,0|1,0,1]=4 4984 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,2,0,0,0,0|1,0,1]=4 4985 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,2,0,0,0,0|1,0,1]=4 4986 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,2,0,0,0,0|1,0,1]=4 4987 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,2,0,0,0,0|1,0,1]=4 4988 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,2,0,0,0,0|1,0,1]=4 4989 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,2,0,0,0,0|1,0,1]=4 4990 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,2,0,0,0,0|1,0,1]=4 4991 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,2,0,0,0,0|1,0,1]=4 4992 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,2,0,0,0,0|1,0,1]=4 4993 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,2,0,0,0,0|1,0,1]=4 4994 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,2,0,0,0,0|1,0,1]=4 4995 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,2,0,0,0,0|1,0,1]=4 4996 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,2,0,0,0,0|1,0,1]=4 4997 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [0,2,0,0,0,0|1,0,1]=4 4998 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [0,2,0,0,0,0|1,0,1]=4 4999 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [0,2,0,0,0,0|1,0,1]=4 5000 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|1,0,1]=4 5001 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 5002 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 5003 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,2,0,0,0,0|1,0,1]=4 5004 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,2,0,0,0,0|1,0,1]=4 5005 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,2,0,0,0,0|1,0,1]=4 5006 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,2,0,0,0,0|1,0,1]=4 5007 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|1,0,1]=4 5008 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,2,0,0,0,0|1,0,1]=4 5009 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,2,0,0,0,0|1,0,1]=4 5010 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,2,0,0,0,0|1,0,1]=4 5011 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,2,0,0,0,0|1,0,1]=4 5012 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,2,0,0,0,0|1,0,1]=4 5013 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,2,0,0,0,0|1,0,1]=4 5014 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,2,0,0,0,0|1,0,1]=4 5015 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,2,0,0,0,0|1,0,1]=4 5016 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,2,0,0,0,0|1,0,1]=4 5017 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,2,0,0,0,0|1,0,1]=4 5018 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,2,0,0,0,0|1,0,1]=4 5019 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|1,0,1]=4 5020 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|1,0,1]=4 5021 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|0,0,1]=3 5022 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,2,0,0,0,0|1,0,1]=4 5023 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,2,0,0,0,0|1,0,1]=4 5024 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|1,0,1]=4 5025 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|1,0,1]=4 5026 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|1,0,1]=4 5027 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|1,0,1]=4 5028 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 5029 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 5030 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 5031 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 5032 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|1,0,0]=3 5033 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|1,0,0]=3 5034 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,2,0,0,0,0|2,0,0]=4 5035 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,2,0,0,0,0|1,0,1]=4 5036 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,2,0,0,0,0|1,0,1]=4 5037 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,2,0,0,0,0|1,0,1]=4 5038 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,2,0,0,0,0|1,0,1]=4 5039 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,2,0,0,0,0|1,0,1]=4 5040 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,2,0,0,0,0|1,0,1]=4 5041 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,2,0,0,0,0|1,0,1]=4 5042 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,2,0,0,0,0|1,0,1]=4 5043 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,2,0,0,0,0|1,0,1]=4 5044 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,2,0,0,0,0|2,0,0]=4 5045 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 5046 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,2,0,0,0,0|2,0,0]=4 5047 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 5048 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [0,2,0,0,0,0|1,0,1]=4 5049 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [0,2,0,0,0,0|1,0,1]=4 5050 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,2,0,0,0,0|1,0,1]=4 5051 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,2,0,0,0,0|1,0,1]=4 5052 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [0,2,0,0,0,0|1,0,1]=4 5053 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [0,2,0,0,0,0|1,0,1]=4 5054 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [0,2,0,0,0,0|1,0,1]=4 5055 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [0,2,0,0,0,0|1,0,1]=4 5056 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,2,0,0,0,0|1,0,1]=4 5057 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,2,0,0,0,0|1,0,1]=4 5058 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,2,0,0,0,0|1,0,1]=4 5059 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,2,0,0,0,0|1,0,1]=4 5060 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,2,0,0,0,0|1,0,1]=4 5061 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,2,0,0,0,0|1,0,1]=4 5062 B9R0.20 CCC(C)(C)NCCCO 2230a_100000211385_100000230001 [0,2,0,0,0,0|1,0,1]=4 5063 B9R0.20 CCC(C)(C)OCCCO 7a_100000210230_100011215043 [0,2,0,0,0,0|1,0,1]=4 5064 B9R0.20 CCC(C)(C)SCCCO 62a_100000032637_100011215043 [0,2,0,0,0,0|1,0,1]=4 5065 B9R0.20 CCC(C)(C)SCCCO 62a_100011215043_100000032637 [0,2,0,0,0,0|1,0,1]=4 5066 B9R0.20 CCCNCC(C)(C)CO 2230a_100020635058_100000210303 [0,2,0,0,0,0|1,0,1]=4 5067 B9R0.20 CCCOCC(C)(C)CO 34a_100000210258_100009813988 [0,2,0,0,0,0|1,0,1]=4 5068 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [0,2,0,0,0,0|1,0,1]=4 5069 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [0,2,0,0,0,0|1,0,1]=4 5070 B9R0.20 CCS(=O)(=O)NCCCO 270084a_100000182051_100000211323 [0,2,0,0,0,0|2,0,0]=4 5071 B9R0.20 CCS(=O)(=O)NCCCO 274078a_100000182051_100000211323 [0,2,0,0,0,0|2,0,0]=4 5072 B9R0.20 CCS(=O)(=O)NCCCO 40a_100000182051_100000053943 [0,2,0,0,0,0|2,0,0]=4 5073 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 5074 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 5075 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|1,0,1]=4 5076 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|1,0,1]=4 5077 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|1,0,1]=4 5078 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|1,0,1]=4 5079 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|1,0,1]=4 5080 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 5081 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 5082 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 5083 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 5084 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|1,0,0]=3 5085 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|1,0,0]=3 5086 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 5087 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 5088 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 5089 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|1,0,0]=3 5090 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|1,0,0]=3 5091 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|1,0,0]=3 5092 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|1,0,0]=3 5093 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,2,0,0,0,0|1,0,1]=4 5094 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,2,0,0,0,0|1,0,1]=4 5095 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,2,0,0,0,0|1,0,1]=4 5096 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [0,2,0,0,0,0|1,0,1]=4 5097 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,2,0,0,0,0|1,0,1]=4 5098 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,2,0,0,0,0|1,0,1]=4 5099 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,2,0,0,0,0|1,0,1]=4 5100 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,2,0,0,0,0|1,0,1]=4 5101 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,2,0,0,0,0|1,0,1]=4 5102 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,2,0,0,0,0|1,0,1]=4 5103 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,2,0,0,0,0|1,0,1]=4 5104 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,2,0,0,0,0|1,0,1]=4 5105 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,2,0,0,0,0|1,0,1]=4 5106 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,2,0,0,0,0|1,0,1]=4 5107 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,2,0,0,0,0|1,0,1]=4 5108 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 5109 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 5110 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 5111 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 5112 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,2,0,0,0,0|2,0,0]=4 5113 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 5114 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 5115 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 5116 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 5117 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,2,0,0,0,0|2,0,0]=4 5118 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 5119 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,2,0,0,0,0|2,0,0]=4 5120 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 5121 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 5122 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 5123 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 5124 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 5125 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|0,0,2]=4 5126 B9R0.47 CC(=NNCCO)C(C)C 4a_100000210001_100000211110 [0,2,0,0,0,0|2,0,0]=4 5127 B9R0.47 CC(=NNCCO)C(C)O 4a_100000210001_100000212229 [0,2,0,0,0,0|2,0,0]=4 5128 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|1,0,1]=4 5129 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|0,0,1]=3 5130 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|0,0,1]=3 5131 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|1,0,1]=4 5132 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|1,0,1]=4 5133 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|1,0,1]=4 5134 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|1,0,1]=4 5135 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|1,0,1]=4 5136 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 5137 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 5138 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 5139 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 5140 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|1,0,0]=3 5141 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|1,0,0]=3 5142 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,2,0,0,0,0|2,0,0]=4 5143 B9R0.47 CC(C)C(C)NCCCO 2230a_100000211541_100000230001 [0,2,0,0,0,0|1,0,1]=4 5144 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,2,0,0,0,0|1,0,1]=4 5145 B9R0.47 CC(C)N(C)CCCCO 2230a_100000717598_100000210206 [0,2,0,0,0,0|1,0,1]=4 5146 B9R0.47 CC(C)N(C)CCCCO 2230a_100011521146_200000210301 [0,2,0,0,0,0|1,0,1]=4 5147 B9R0.47 CC(C)N(C)CCCCO 269982a_100000717598_100000210206 [0,2,0,0,0,0|1,0,1]=4 5148 B9R0.47 CC(C)N(C)CCCCO 269982a_100011521146_200000210301 [0,2,0,0,0,0|1,0,1]=4 5149 B9R0.47 CC(C)N(C)CCCCO 269982a_200000211004_100000210776 [0,2,0,0,0,0|1,0,1]=4 5150 B9R0.47 CC(C)N([13CH3])CCCCO 2230a_100011521146_200025704644 [0,2,0,0,0,0|1,0,1]=4 5151 B9R0.47 CC(C)N([13CH3])CCCCO 269982a_100011521146_200025704644 [0,2,0,0,0,0|1,0,1]=4 5152 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|1,0,1]=4 5153 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|0,0,1]=3 5154 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 5155 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 5156 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 5157 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 5158 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|1,0,0]=3 5159 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|1,0,0]=3 5160 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,2,0,0,0,0|2,0,0]=4 5161 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|1,0,1]=4 5162 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|1,0,1]=4 5163 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|1,0,1]=4 5164 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,2,0,0,0,0|0,0,1]=3 5165 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|0,0,1]=3 5166 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|0,0,1]=3 5167 B9R0.47 CC/C=C\CN(C)C(C)C 269982a_200000211004_100103147603 [0,2,0,0,0,0|2,0,0]=4 5168 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|1,0,1]=4 5169 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|1,0,1]=4 5170 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|1,0,1]=4 5171 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|1,0,1]=4 5172 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|1,0,1]=4 5173 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|1,0,1]=4 5174 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5175 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5176 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5177 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5178 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5179 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5180 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5181 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5182 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|2,0,0]=4 5183 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|2,0,0]=4 5184 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|2,0,0]=4 5185 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,2,0,0,0,0|1,0,1]=4 5186 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|1,0,1]=4 5187 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|0,0,1]=3 5188 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,2,0,0,0,0|2,0,0]=4 5189 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|1,0,0]=3 5190 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,2,0,0,0,0|2,0,0]=4 5191 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|1,0,1]=4 5192 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|0,0,1]=3 5193 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 5194 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 5195 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|1,0,0]=3 5196 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,2,0,0,0,0|2,0,0]=4 5197 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,2,0,0,0,0|1,0,1]=4 5198 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 5199 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 5200 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,2,0,0,0,0|2,0,0]=4 5201 B9R0.50 C#CC(CC)OCCCO 34a_100000758843_100000230001 [0,2,0,0,0,0|1,0,1]=4 5202 B9R0.50 C#CC(CC)OCCCO 7a_100000758843_100011215043 [0,2,0,0,0,0|1,0,1]=4 5203 B9R0.50 C=CC(=NNCCO)CC 4a_100000210001_100000747743 [0,2,0,0,0,0|2,0,0]=4 5204 B9R0.50 C=CC(CC)OCCCO 34a_100000766422_100000230001 [0,2,0,0,0,0|1,0,1]=4 5205 B9R0.50 C=CC(CC)OCCCO 7a_100000766422_100011215043 [0,2,0,0,0,0|1,0,1]=4 5206 B9R0.50 CC/C=C\CN(CC)CC 2230a_100000724800_100103147603 [0,2,0,0,0,0|2,0,0]=4 5207 B9R0.50 CC/C=C\CN(CC)CC 269956a_100000042499_100103147603 [0,2,0,0,0,0|2,0,0]=4 5208 B9R0.50 CC/C=C\CN(CC)CC 269982a_100000724800_100103147603 [0,2,0,0,0,0|2,0,0]=4 5209 B9R0.50 CCC(=NNCCO)CC 4a_100000210001_100000210860 [0,2,0,0,0,0|2,0,0]=4 5210 B9R0.50 CCC(=NNCCO)CO 4a_100000210001_100000725409 [0,2,0,0,0,0|2,0,0]=4 5211 B9R0.50 CCC(CC)NCCCO 2230a_100000199018_100000230001 [0,2,0,0,0,0|1,0,1]=4 5212 B9R0.50 CCC(CC)NCCCO 270004a_100000182051_100000210860 [0,2,0,0,0,0|1,0,1]=4 5213 B9R0.50 CCC(CC)OCCCO 7a_100000688536_100011215043 [0,2,0,0,0,0|1,0,1]=4 5214 B9R0.50 CCC(CC)SCCCO 62a_100000210505_100011215043 [0,2,0,0,0,0|1,0,1]=4 5215 B9R0.50 CCC(CC)SCCCO 62a_100011215043_100000210505 [0,2,0,0,0,0|1,0,1]=4 5216 B9R0.50 CCN(CC)CCCCO 2230a_100000724800_100000210776 [0,2,0,0,0,0|1,0,1]=4 5217 B9R0.50 CCN(CC)CCCCO 2230a_100011217355_100000210202 [0,2,0,0,0,0|1,0,1]=4 5218 B9R0.50 CCN(CC)CCCCO 269956a_100000042499_100000210776 [0,2,0,0,0,0|1,0,1]=4 5219 B9R0.50 CCN(CC)CCCCO 269982a_100000724800_100000210776 [0,2,0,0,0,0|1,0,1]=4 5220 B9R0.50 CCN(CC)CCCCO 269982a_100011217355_100000204670 [0,2,0,0,0,0|1,0,1]=4 5221 B9R0.50 CCN(CF)CCCCO 269982a_100011217355_100015361967 [0,2,0,0,0,0|1,0,1]=4 5222 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [0,2,0,0,0,0|1,0,1]=4 5223 B9R0.38 CC(C)(C)CNCCCO 2230a_100000743828_100000230001 [0,2,0,0,0,0|1,0,1]=4 5224 B9R0.38 CC(C)(C)CNCCCO 270004a_100000182051_100011204126 [0,2,0,0,0,0|1,0,1]=4 5225 B9R0.38 CC(C)(C)CSCCCO 62a_100011215043_100011219605 [0,2,0,0,0,0|1,0,1]=4 5226 B9R0.38 CC(C)(C)CSCCCO 62a_100011219605_100011215043 [0,2,0,0,0,0|1,0,1]=4 5227 B9R0.38 CC(C)(C)NCCCCO 2230a_100000715429_100000210776 [0,2,0,0,0,0|1,0,1]=4 5228 B9R0.38 CC(C)(C)NCCCCO 34a_100000750430_100000210625 [0,2,0,0,0,0|1,0,1]=4 5229 B9R0.38 CC(C)(C)OCCCCO 34a_100015890283_100011216708 [0,2,0,0,0,0|1,0,1]=4 5230 B9R0.38 CC(C)(C)OCCCCO 7a_100015890283_100000210776 [0,2,0,0,0,0|1,0,1]=4 5231 B9R0.38 CC(C)(C)SCCCCO 62a_100000210776_100000211941 [0,2,0,0,0,0|1,0,1]=4 5232 B9R0.38 CC(C)(C)SCCCCO 62a_100000211941_100000210776 [0,2,0,0,0,0|1,0,1]=4 5233 B9R0.38 CC(C)(F)CNCCCO 2230a_100020643315_100000230001 [0,2,0,0,0,0|1,0,1]=4 5234 B9R0.38 CC(C)(F)COCCCO 34a_100000716592_100000230001 [0,2,0,0,0,0|1,0,1]=4 5235 B9R0.38 CC(C)(F)CSCCCO 62a_100011215043_100011997219 [0,2,0,0,0,0|1,0,1]=4 5236 B9R0.38 CC(C)(F)CSCCCO 62a_100011997219_100011215043 [0,2,0,0,0,0|1,0,1]=4 5237 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [0,2,0,0,0,0|1,0,1]=4 5238 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [0,2,0,0,0,0|1,0,1]=4 5239 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [0,2,0,0,0,0|1,0,1]=4 5240 B9R0.38 CC(F)(F)COCCCO 34a_100000068830_100000230001 [0,2,0,0,0,0|1,0,1]=4 5241 B9R0.38 CC/C=C\CNC(C)(C)C 2230a_100000715429_100103147603 [0,2,0,0,0,0|2,0,0]=4 5242 B9R0.38 CC/C=C\COC(C)(C)C 34a_100015890283_100103147603 [0,2,0,0,0,0|2,0,0]=4 5243 B9R0.38 CC/C=C\COC(C)(C)C 34a_100016268518_100000210625 [0,2,0,0,0,0|2,0,0]=4 5244 B9R0.38 CC/C=C\COC(C)(C)C 7a_100015890283_100103147603 [0,2,0,0,0,0|2,0,0]=4 5245 B9R0.38 CC/C=C\COC(F)(F)F 34a_100016268518_200103152311 [0,2,0,0,0,0|2,0,0]=4 5246 B9R0.38 CC/C=C\CSC(C)(C)C 62a_100000211941_100103147603 [0,2,0,0,0,0|2,0,0]=4 5247 B9R0.38 CC/C=C\CSC(C)(C)C 62a_100103147603_100000211941 [0,2,0,0,0,0|2,0,0]=4 5248 B9R0.38 CC/C=C\CSC(F)(F)F 62a_100103147603_200103152311 [0,2,0,0,0,0|2,0,0]=4 5249 B9R0.38 CC/C=C\CSC(F)(F)F 62a_200000243211_100103147603 [0,2,0,0,0,0|2,0,0]=4 5250 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,2,0,0,0,0|1,0,1]=4 5251 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [0,2,0,0,0,0|1,0,1]=4 5252 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [0,2,0,0,0,0|1,0,1]=4 5253 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [0,2,0,0,0,0|1,0,1]=4 5254 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [0,2,0,0,0,0|1,0,1]=4 5255 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [0,2,0,0,0,0|1,0,1]=4 5256 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [0,2,0,0,0,0|1,0,1]=4 5257 B9R0.55 CC(C)C=NNCC(C)O 4a_200000730056_100000210432 [0,2,0,0,0,0|2,0,0]=4 5258 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,2,0,0,0,0|1,0,1]=4 5259 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,2,0,0,0,0|1,0,1]=4 5260 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,2,0,0,0,0|1,0,1]=4 5261 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,2,0,0,0,0|1,0,1]=4 5262 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,2,0,0,0,0|1,0,1]=4 5263 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,2,0,0,0,0|1,0,1]=4 5264 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,2,0,0,0,0|1,0,1]=4 5265 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,2,0,0,0,0|1,0,1]=4 5266 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,2,0,0,0,0|1,0,1]=4 5267 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,2,0,0,0,0|1,0,1]=4 5268 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,2,0,0,0,0|1,0,1]=4 5269 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,2,0,0,0,0|1,0,1]=4 5270 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,2,0,0,0,0|1,0,1]=4 5271 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,2,0,0,0,0|1,0,1]=4 5272 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,2,0,0,0,0|1,0,1]=4 5273 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,2,0,0,0,0|1,0,1]=4 5274 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,2,0,0,0,0|1,0,1]=4 5275 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,2,0,0,0,0|1,0,1]=4 5276 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,2,0,0,0,0|1,0,1]=4 5277 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,2,0,0,0,0|1,0,1]=4 5278 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,2,0,0,0,0|1,0,1]=4 5279 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,2,0,0,0,0|1,0,1]=4 5280 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,2,0,0,0,0|1,0,1]=4 5281 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,2,0,0,0,0|1,0,1]=4 5282 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,1,0,0|2,0,0]=4 5283 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|1,0,1]=4 5284 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|1,0,1]=4 5285 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [1,0,0,1,0,0|2,0,0]=4 5286 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|1,0,1]=4 5287 B7R1.1 FCN1CC=CC1 269982a_100015195280_100015361967 [1,0,0,1,0,0|2,0,0]=4 5288 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [1,0,0,1,0,0|2,0,0]=4 5289 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|1,0,1]=4 5290 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|1,0,0]=3 5291 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|1,0,0]=3 5292 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|1,0,0]=3 5293 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|1,0,0]=3 5294 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|1,0,0]=3 5295 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|1,0,0]=3 5296 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [1,0,0,1,0,0|2,0,0]=4 5297 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [1,0,0,1,0,0|2,0,0]=4 5298 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [1,0,0,1,0,0|2,0,0]=4 5299 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|1,0,1]=4 5300 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [1,0,0,1,0,0|1,0,1]=4 5301 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [1,0,0,1,0,0|1,0,1]=4 5302 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [1,0,0,1,0,0|1,0,1]=4 5303 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,0,1]=4 5304 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,0,1]=4 5305 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,1,0,0|1,0,1]=4 5306 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [1,0,0,1,0,0|1,0,1]=4 5307 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [1,0,0,1,0,0|1,0,1]=4 5308 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [1,0,0,1,0,0|1,0,1]=4 5309 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [1,0,0,1,0,0|1,0,1]=4 5310 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [1,0,0,1,0,0|1,0,1]=4 5311 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [1,0,0,1,0,0|1,0,1]=4 5312 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [1,0,0,1,0,0|1,0,1]=4 5313 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|1,0,1]=4 5314 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|1,0,1]=4 5315 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [1,0,0,1,0,0|1,0,1]=4 5316 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [1,0,0,1,0,0|1,0,1]=4 5317 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [1,0,0,1,0,0|1,0,1]=4 5318 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [1,0,0,1,0,0|1,0,1]=4 5319 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|1,0,1]=4 5320 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|1,0,1]=4 5321 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [1,0,0,1,0,0|1,0,1]=4 5322 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [1,0,0,1,0,0|1,0,1]=4 5323 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [1,0,0,1,0,0|1,0,1]=4 5324 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [1,0,0,1,0,0|1,0,1]=4 5325 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [1,0,0,1,0,0|1,0,1]=4 5326 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [1,0,0,1,0,0|1,0,1]=4 5327 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [1,0,0,1,0,0|1,0,1]=4 5328 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [1,0,0,1,0,0|1,0,0]=3 5329 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,0,1]=4 5330 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,0,1]=4 5331 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|1,0,0]=3 5332 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|1,0,0]=3 5333 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|1,0,1]=4 5334 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|1,0,1]=4 5335 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [1,0,0,1,0,0|1,0,0]=3 5336 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [1,0,0,1,0,0|1,0,0]=3 5337 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|1,1,0]=4 5338 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|1,1,0]=4 5339 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [1,0,0,1,0,0|1,0,0]=3 5340 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [1,0,0,1,0,0|1,0,0]=3 5341 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [1,0,0,1,0,0|1,0,1]=4 5342 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [1,0,0,1,0,0|1,0,1]=4 5343 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [1,0,0,1,0,0|1,0,1]=4 5344 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [1,0,0,1,0,0|1,0,1]=4 5345 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [1,0,0,1,0,0|1,0,1]=4 5346 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [1,0,0,1,0,0|1,0,1]=4 5347 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [1,0,0,1,0,0|1,0,1]=4 5348 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [1,0,0,1,0,0|2,0,0]=4 5349 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [1,0,0,1,0,0|2,0,0]=4 5350 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [1,0,0,1,0,0|2,0,0]=4 5351 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [1,0,0,1,0,0|2,0,0]=4 5352 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [1,0,0,1,0,0|2,0,0]=4 5353 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [1,0,0,1,0,0|1,0,1]=4 5354 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [1,0,0,1,0,0|1,0,1]=4 5355 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [1,0,0,1,0,0|1,0,1]=4 5356 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [1,0,0,1,0,0|1,0,1]=4 5357 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [1,0,0,1,0,0|1,0,1]=4 5358 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [1,0,0,1,0,0|1,0,1]=4 5359 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [1,0,0,1,0,0|1,0,1]=4 5360 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [1,0,0,1,0,0|1,0,1]=4 5361 B9R1.2 CC1=CCCN(C1)CF 269982a_100000725631_100015361967 [0,1,0,1,0,0|2,0,0]=4 5362 B9R1.2 CC1=CCCN(C1)CF 34a_100000725631_100015361967 [0,1,0,1,0,0|2,0,0]=4 5363 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,1,0,1,0,0|2,0,0]=4 5364 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,1,0,1,0,0|2,0,0]=4 5365 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,1,0,1,0,0|2,0,0]=4 5366 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,1,0,1,0,0|1,0,1]=4 5367 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,1,0,1,0,0|1,0,1]=4 5368 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,1,0,1,0,0|1,0,1]=4 5369 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,1,0,1,0,0|1,0,1]=4 5370 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,1,0,1,0,0|1,0,1]=4 5371 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,1,0,1,0,0|1,0,1]=4 5372 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,1,0,1,0,0|1,0,1]=4 5373 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,1,0,1,0,0|1,0,1]=4 5374 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,1,0,1,0,0|1,0,1]=4 5375 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,1,0,1,0,0|1,0,1]=4 5376 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,1,0,0|1,0,1]=4 5377 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,1,0,0|1,0,1]=4 5378 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,1,0,1,0,0|1,0,1]=4 5379 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,1,0,1,0,0|1,0,1]=4 5380 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,1,0,1,0,0|1,0,1]=4 5381 B9R1.7 COC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200000210301 [0,1,0,1,0,0|2,0,0]=4 5382 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,1,0,1,0,0|1,0,1]=4 5383 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,1,0,1,0,0|1,0,1]=4 5384 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,1,0,1,0,0|1,0,1]=4 5385 B9R1.7 [13CH3]OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_200025704644 [0,1,0,1,0,0|2,0,0]=4 5386 B9R1.8 C#CCN1CC=CCC1 2230a_100000698166_100000038162 [0,1,0,1,0,0|1,0,1]=4 5387 B9R1.8 C#CCN1CC=CCC1 34a_100000698166_100000184674 [0,1,0,1,0,0|1,0,1]=4 5388 B9R1.8 C=CCN1CC=CCC1 2230a_100000698166_100000210623 [0,1,0,1,0,0|1,0,1]=4 5389 B9R1.8 C=CCN1CC=CCC1 269982a_100000698166_100000210623 [0,1,0,1,0,0|1,0,1]=4 5390 B9R1.8 C=CCN1CC=CCC1 34a_100000698166_100015514636 [0,1,0,1,0,0|1,0,1]=4 5391 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [0,1,0,1,0,0|1,0,0]=3 5392 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [0,1,0,1,0,0|1,0,0]=3 5393 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [0,1,0,1,0,0|1,0,0]=3 5394 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,1,0,1,0,0|1,0,1]=4 5395 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,1,0,1,0,0|1,0,1]=4 5396 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,1,0,1,0,0|1,0,1]=4 5397 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,1,0,1,0,0|2,0,0]=4 5398 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,1,0,1,0,0|1,0,1]=4 5399 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,1,0,1,0,0|1,0,1]=4 5400 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,1,0,1,0,0|1,0,1]=4 5401 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,1,0,1,0,0|2,0,0]=4 5402 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,1,0,1,0,0|1,0,0]=3 5403 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|0,0,2]=4 5404 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,1,0,1,0,0|1,0,1]=4 5405 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,1,0,1,0,0|1,0,1]=4 5406 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,1,0,1,0,0|2,0,0]=4 5407 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,1,0,1,0,0|2,0,0]=4 5408 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,1,0,1,0,0|1,0,1]=4 5409 B9R1.8 CNCC1=CCCSC1 270004a_106832991635_100000707794 [0,1,0,1,0,0|2,0,0]=4 5410 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [0,1,0,1,0,0|1,0,0]=3 5411 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,1,0,1,0,0|0,0,2]=4 5412 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,1,0,1,0,0|0,0,2]=4 5413 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,1,0,1,0,0|0,0,2]=4 5414 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,1,0,1,0,0|0,0,2]=4 5415 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,1,0,1,0,0|0,0,2]=4 5416 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,1,0,1,0,0|0,0,0]=2 5417 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,1,0,1,0,0|1,0,0]=3 5418 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,1,0,1,0,0|0,0,2]=4 5419 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,1,0,1,0,0|0,0,2]=4 5420 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,1,0,1,0,0|0,0,2]=4 5421 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,1,0,0|0,0,2]=4 5422 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,1,0,0|0,0,2]=4 5423 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,1,0,0|0,0,2]=4 5424 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,1,0,1,0,0|1,0,1]=4 5425 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,1,0,1,0,0|1,0,1]=4 5426 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,1,0,1,0,0|1,0,1]=4 5427 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,1,0,1,0,0|1,0,1]=4 5428 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,1,0,1,0,0|1,0,1]=4 5429 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,1,0,1,0,0|1,0,1]=4 5430 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,1,0,1,0,0|1,0,1]=4 5431 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,1,0,1,0,0|1,0,1]=4 5432 B9R1.8 COCN1CC=CCC1 2230a_100000698166_100000766300 [0,1,0,1,0,0|1,0,0]=3 5433 B9R1.8 COCN1CC=CCC1 269982a_100000698166_100000766300 [0,1,0,1,0,0|1,0,0]=3 5434 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,1,0,1,0,0|0,0,2]=4 5435 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,1,0,1,0,0|0,0,2]=4 5436 B9R1.8 CSCN1CC=CCC1 2230a_100000698166_100011218213 [0,1,0,1,0,0|1,1,0]=4 5437 B9R1.8 CSCN1CC=CCC1 269982a_100000698166_100011218213 [0,1,0,1,0,0|1,1,0]=4 5438 B9R1.8 CSCN1CC=CCC1 34a_100000698166_100011218213 [0,1,0,1,0,0|1,1,0]=4 5439 B9R1.8 FCCN1CC=CCC1 2230a_100000698166_100011217306 [0,1,0,1,0,0|1,0,0]=3 5440 B9R1.8 FCCN1CC=CCC1 269982a_100000698166_100011217306 [0,1,0,1,0,0|1,0,0]=3 5441 B9R1.8 FCCN1CC=CCC1 34a_100000698166_100011217306 [0,1,0,1,0,0|1,0,0]=3 5442 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [0,1,0,1,0,0|2,0,0]=4 5443 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [0,1,0,1,0,0|1,0,0]=3 5444 B9R1.8 FCSC1C=CCCC1 62a_100000751183_100015361967 [0,1,0,1,0,0|2,0,0]=4 5445 B9R1.8 FCSC1C=CCCC1 62a_100015361967_100000751183 [0,1,0,1,0,0|2,0,0]=4 5446 B9R1.8 N#CCN1CC=CCC1 2230a_100000698166_100011215382 [0,1,0,1,0,0|1,0,1]=4 5447 B9R1.8 N#CCN1CC=CCC1 269982a_100000698166_100011214920 [0,1,0,1,0,0|1,0,1]=4 5448 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [0,1,0,1,0,0|0,0,2]=4 5449 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [0,1,0,1,0,0|0,0,2]=4 5450 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [0,1,0,1,0,0|0,0,2]=4 5451 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [0,1,0,1,0,0|0,0,0]=2 5452 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [0,1,0,1,0,0|0,0,0]=2 5453 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [0,1,0,1,0,0|0,0,0]=2 5454 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [0,1,0,1,0,0|1,0,1]=4 5455 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [0,1,0,1,0,0|1,0,1]=4 5456 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [0,1,0,1,0,0|1,0,1]=4 5457 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [0,1,0,1,0,0|1,0,1]=4 5458 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [0,1,0,1,0,0|1,0,1]=4 5459 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [0,1,0,1,0,0|1,0,1]=4 5460 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [0,1,0,1,0,0|1,0,1]=4 5461 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [0,1,0,1,0,0|1,0,1]=4 5462 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,1,0,1,0,0|0,0,2]=4 5463 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,1,0,1,0,0|0,0,2]=4 5464 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,1,0,1,0,0|0,0,0]=2 5465 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,1,0,1,0,0|1,0,0]=3 5466 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,1,0,1,0,0|0,0,2]=4 5467 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,1,0,1,0,0|0,0,2]=4 5468 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,1,0,0|0,0,2]=4 5469 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,1,0,0|0,0,2]=4 5470 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,1,0,1,0,0|1,0,1]=4 5471 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,1,0,1,0,0|1,0,1]=4 5472 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,1,0,1,0,0|1,0,1]=4 5473 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,1,0,1,0,0|1,0,1]=4 5474 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,1,0,1,0,0|1,0,1]=4 5475 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,1,0,1,0,0|1,0,1]=4 5476 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,1,0,1,0,0|0,0,2]=4 5477 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,1,0,1,0,0|0,0,2]=4 5478 B9R1.9 CC1CN(C1)CCCO 2230a_100000702820_100000230001 [0,1,0,1,0,0|1,0,1]=4 5479 B9R1.9 CC1CN(C1)CCCO 269982a_100000702820_100011215043 [0,1,0,1,0,0|1,0,1]=4 5480 B9R1.9 CC1CN(C1)CCCO 34a_100000702820_100000230001 [0,1,0,1,0,0|1,0,1]=4 5481 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,1,0,1,0,0|1,0,1]=4 5482 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [0,1,0,1,0,0|1,0,1]=4 5483 B9R1.9 OCCCN1CC(C1)F 2230a_100000690557_100000230001 [0,1,0,1,0,0|1,0,1]=4 5484 B9R1.9 OCCCN1CC(C1)F 269982a_100000690557_100011215043 [0,1,0,1,0,0|1,0,1]=4 5485 B9R1.9 OCCCN1CC(C1)F 34a_100000690557_100000230001 [0,1,0,1,0,0|1,0,1]=4 5486 B9R1.9 OCCCN1CC(C1)O 269982a_100000749847_100011215043 [0,1,0,1,0,0|1,0,1]=4 5487 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,1,0,1,0,0|1,0,1]=4 5488 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,1,0,1,0,0|1,0,1]=4 5489 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,1,0,1,0,0|1,0,1]=4 5490 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,1,0,1,0,0|1,0,1]=4 5491 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,1,0,1,0,0|0,0,2]=4 5492 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,1,0,1,0,0|1,0,1]=4 5493 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,1,0,1,0,0|1,0,1]=4 5494 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,1,0,1,0,0|1,0,1]=4 5495 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,1,0,1,0,0|0,0,2]=4 5496 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [0,1,0,1,0,0|1,0,1]=4 5497 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [0,1,0,1,0,0|1,0,1]=4 5498 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [0,1,0,1,0,0|1,0,1]=4 5499 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,1,0,1,0,0|1,0,1]=4 5500 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,1,0,1,0,0|1,0,1]=4 5501 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,1,0,1,0,0|1,0,1]=4 5502 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,1,0,1,0,0|0,0,2]=4 5503 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,1,0,1,0,0|0,0,2]=4 5504 B9R1.12 CCNN=C1CCCC1 4a_100000756455_100000210133 [0,1,0,1,0,0|2,0,0]=4 5505 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,1,0,1,0,0|0,0,2]=4 5506 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,1,0,1,0,0|0,0,2]=4 5507 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,1,0,1,0,0|1,0,1]=4 5508 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,1,0,1,0,0|1,0,1]=4 5509 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,1,0,1,0,0|1,0,1]=4 5510 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,1,0,1,0,0|1,0,1]=4 5511 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,1,0,1,0,0|1,0,1]=4 5512 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,1,0,1,0,0|0,0,2]=4 5513 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,1,0,1,0,0|0,0,2]=4 5514 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [0,1,0,1,0,0|1,0,1]=4 5515 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [0,1,0,1,0,0|1,0,1]=4 5516 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,1,0,1,0,0|1,0,1]=4 5517 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,1,0,1,0,0|1,0,1]=4 5518 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,1,0,1,0,0|0,0,2]=4 5519 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,1,0,1,0,0|0,0,2]=4 5520 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,1,0,1,0,0|0,0,2]=4 5521 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [0,1,0,1,0,0|1,0,1]=4 5522 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,1,0,1,0,0|1,0,1]=4 5523 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,1,0,1,0,0|1,0,1]=4 5524 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,1,0,1,0,0|1,0,1]=4 5525 B9R1.12 OCCCN1CC=CC1 269982a_100015195280_100011215043 [0,1,0,1,0,0|0,0,2]=4 5526 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [0,1,0,1,0,0|0,0,2]=4 5527 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [0,1,0,1,0,0|0,0,2]=4 5528 B9R1.12 OCCCN1CCSC1 2230a_100011215254_100000230001 [0,1,0,1,0,0|1,0,1]=4 5529 B9R1.12 OCCCN1CCSC1 269982a_100011215254_100011215043 [0,1,0,1,0,0|1,0,1]=4 5530 B9R1.12 OCCNC1CC=CC1 2230a_100015188752_100000211926 [0,1,0,1,0,0|0,0,2]=4 5531 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,1,0,1,0,0|0,0,2]=4 5532 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,1,0,1,0,0|0,0,2]=4 5533 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,1,0,1,0,0|0,0,2]=4 5534 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,1,0,1,0,0|0,0,2]=4 5535 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,1,0,1,0,0|0,0,2]=4 5536 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [0,1,0,1,0,0|1,0,1]=4 5537 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [0,1,0,1,0,0|1,0,1]=4 5538 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [0,1,0,1,0,0|1,0,1]=4 5539 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [0,1,0,1,0,0|1,0,1]=4 5540 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [0,1,0,1,0,0|1,0,1]=4 5541 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [0,1,0,1,0,0|1,0,1]=4 5542 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [0,1,0,1,0,0|1,0,1]=4 5543 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,1,0,1,0,0|0,0,2]=4 5544 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,1,0,1,0,0|0,0,2]=4 5545 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,1,0,1,0,0|1,0,1]=4 5546 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,1,0,1,0,0|1,0,1]=4 5547 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,1,0,1,0,0|1,0,1]=4 5548 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,1,0,1,0,0|0,0,2]=4 5549 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,1,0,1,0,0|0,0,2]=4 5550 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,1,0,1,0,0|1,0,1]=4 5551 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,1,0,1,0,0|0,0,2]=4 5552 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,1,0,1,0,0|0,0,2]=4 5553 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [0,1,0,1,0,0|1,0,1]=4 5554 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,1,0,1,0,0|1,0,1]=4 5555 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,1,0,0|0,0,2]=4 5556 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,1,0,0|0,0,2]=4 5557 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,1,0,1,0,0|1,0,1]=4 5558 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,1,0,1,0,0|0,0,2]=4 5559 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,1,0,1,0,0|0,0,2]=4 5560 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,1,0,1,0,0|0,0,2]=4 5561 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,1,0,1,0,0|1,0,1]=4 5562 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,1,0,1,0,0|1,0,1]=4 5563 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,1,0,1,0,0|1,0,1]=4 5564 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,1,0,1,0,0|0,0,2]=4 5565 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,1,0,1,0,0|1,0,1]=4 5566 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,1,0,0|0,0,2]=4 5567 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,1,0,0|0,0,2]=4 5568 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|0,0,2]=4 5569 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,1,0,1,0,0|1,0,1]=4 5570 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,1,0,1,0,0|0,0,2]=4 5571 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,1,0,1,0,0|0,0,2]=4 5572 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,1,0,1,0,0|0,0,2]=4 5573 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,1,0,1,0,0|0,0,2]=4 5574 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,1,0,1,0,0|0,0,2]=4 5575 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,1,0,1,0,0|1,0,1]=4 5576 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,1,0,1,0,0|1,0,1]=4 5577 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,1,0,1,0,0|1,0,1]=4 5578 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,1,0,1,0,0|1,0,1]=4 5579 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,1,0,1,0,0|0,0,2]=4 5580 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,1,0,1,0,0|0,0,2]=4 5581 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [0,1,0,1,0,0|1,0,1]=4 5582 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [0,1,0,1,0,0|1,0,1]=4 5583 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [0,1,0,1,0,0|1,0,1]=4 5584 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [0,1,0,1,0,0|1,0,1]=4 5585 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [0,1,0,1,0,0|1,0,1]=4 5586 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [0,1,0,1,0,0|1,0,1]=4 5587 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [0,1,0,1,0,0|1,0,1]=4 5588 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,1,0,1,0,0|0,0,2]=4 5589 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,1,0,1,0,0|0,0,2]=4 5590 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,1,0,1,0,0|0,0,2]=4 5591 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,1,0,1,0,0|0,0,2]=4 5592 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,1,0,1,0,0|0,0,2]=4 5593 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,1,0,1,0,0|0,0,2]=4 5594 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,1,0,1,0,0|0,0,2]=4 5595 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,1,0,1,0,0|0,0,2]=4 5596 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,1,0,1,0,0|0,0,2]=4 5597 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,1,0,0|1,0,1]=4 5598 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,1,0,0|1,0,1]=4 5599 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,1,0,0|1,0,1]=4 5600 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,1,0,0|1,0,1]=4 5601 B9R1.58 CCCN1CC(C1)CO 269982a_100016987283_100000210303 [0,1,0,1,0,0|1,0,1]=4 5602 B9R1.58 CCCN1CC(C1)CO 34a_100016987283_100000210303 [0,1,0,1,0,0|1,0,1]=4 5603 B9R1.58 CCNC1CC(C1)CO 270004a_100015525214_100000101936 [0,1,0,1,0,0|1,0,1]=4 5604 B9R1.58 CCSC1CC(C1)CO 62a_100000210202_100009874164 [0,1,0,1,0,0|1,0,1]=4 5605 B9R1.58 CCSC1CC(C1)CO 62a_100009874164_100000210202 [0,1,0,1,0,0|1,0,1]=4 5606 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,1,0,1,0,0|1,0,1]=4 5607 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,1,0,1,0,0|1,0,1]=4 5608 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,1,0,1,0,0|1,0,1]=4 5609 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,1,0,1,0,0|1,0,1]=4 5610 B9R1.73 CC(CCO)N1CCC1 269982a_100000754969_100009893172 [0,1,0,1,0,0|1,0,1]=4 5611 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,1,0,1,0,0|1,0,1]=4 5612 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|1,0,1]=4 5613 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|1,0,1]=4 5614 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|0,0,1]=3 5615 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 5616 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 5617 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 5618 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 5619 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 5620 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 5621 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,1,0,1,0,0|2,0,0]=4 5622 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,1,0,0|1,0,1]=4 5623 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|1,0,1]=4 5624 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,1,0,1,0,0|0,0,2]=4 5625 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,1,0,1,0,0|0,0,2]=4 5626 B9R1.75 CC(CCO)NC1CC1 34a_100000212008_100009893172 [0,1,0,1,0,0|1,0,1]=4 5627 B9R1.75 CC(CCO)SC1CC1 62a_100009893172_100000211595 [0,1,0,1,0,0|1,0,1]=4 5628 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,1,0,1,0,0|1,0,1]=4 5629 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,1,0,1,0,0|0,0,1]=3 5630 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|0,1,1]=4 5631 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,1,0,1,0,0|0,0,1]=3 5632 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|1,0,1]=4 5633 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|1,0,1]=4 5634 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|0,0,1]=3 5635 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,1,0,1,0,0|0,1,1]=4 5636 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|0,0,1]=3 5637 B9R1.75 CCCN(C)CC1CO1 2230a_100000747261_100011216344 [0,1,0,1,0,0|1,0,1]=4 5638 B9R1.75 CCCN(C)CC1CO1 269982a_100000747261_102125554688 [0,1,0,1,0,0|1,0,1]=4 5639 B9R1.75 CCCN(C)C[C@@H]1CO1 269982a_100000747261_100000745022 [0,1,0,1,0,0|1,0,1]=4 5640 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 5641 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 5642 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 5643 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,1,0,1,0,0|1,0,1]=4 5644 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,1,0,1,0,0|1,0,1]=4 5645 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,1,0,1,0,0|1,0,1]=4 5646 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,1,0,1,0,0|1,0,1]=4 5647 B9R1.75 C[C@H](CCO)NC1CC1 34a_100000706166_100000211595 [0,1,0,1,0,0|1,0,1]=4 5648 B9R1.75 O=C(C=CBr)CC1CO1 1458a_100016273825_100011216344 [0,1,0,1,0,0|1,0,1]=4 5649 B9R1.75 O=C(C=CBr)C[C@@H]1CO1 1458a_100016273825_100000745022 [0,1,0,1,0,0|1,0,1]=4 5650 B9R1.75 O=C(C=CCl)CC1CO1 1458a_200016279998_100011216344 [0,1,0,1,0,0|1,0,1]=4 5651 B9R1.75 O=C(C=CCl)C[C@@H]1CO1 1458a_200016279998_100000745022 [0,1,0,1,0,0|1,0,1]=4 5652 B9R1.75 O=C(C=CI)CC1CO1 1458a_100016256311_100011216344 [0,1,0,1,0,0|1,0,1]=4 5653 B9R1.75 O=C(C=CI)C[C@@H]1CO1 1458a_100016256311_100000745022 [0,1,0,1,0,0|1,0,1]=4 5654 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|1,0,1]=4 5655 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|1,0,1]=4 5656 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|1,0,1]=4 5657 B9R1.100 CCCNC(C)C1CO1 270004a_100020643023_100000031964 [0,1,0,1,0,0|1,0,1]=4 5658 B9R1.100 CN(CCCO)C1CC1 2230a_100000226674_100000230001 [0,1,0,1,0,0|1,0,1]=4 5659 B9R1.100 CN(CCCO)C1CC1 269982a_100000213112_100000211595 [0,1,0,1,0,0|1,0,1]=4 5660 B9R1.100 CN(CCCO)C1CC1 269982a_100000226674_100011215043 [0,1,0,1,0,0|1,0,1]=4 5661 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|1,0,1]=4 5662 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|0,0,1]=3 5663 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|1,0,1]=4 5664 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,1,0,1,0,0|1,0,1]=4 5665 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,1,0,1,0,0|1,0,1]=4 5666 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|1,0,1]=4 5667 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,1,0,1,0,0|1,0,1]=4 5668 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 5669 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 5670 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 5671 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 5672 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 5673 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [0,1,0,1,0,0|1,0,1]=4 5674 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [0,1,0,1,0,0|1,0,1]=4 5675 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [0,1,0,1,0,0|1,0,1]=4 5676 B9R1.14 CCC1C=CCN1CC 2230a_100000730860_100000210202 [0,1,0,1,0,0|2,0,0]=4 5677 B9R1.14 CCC1C=CCN1CC 269982a_100000730860_100000204670 [0,1,0,1,0,0|2,0,0]=4 5678 B9R1.14 CCC1C=CCN1CC 34a_100000730860_100000210202 [0,1,0,1,0,0|2,0,0]=4 5679 B9R1.14 CCC1C=CCN1CF 269982a_100000730860_100015361967 [0,1,0,1,0,0|2,0,0]=4 5680 B9R1.14 CCC1C=CCN1CF 34a_100000730860_100015361967 [0,1,0,1,0,0|2,0,0]=4 5681 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,1,0,1,0,0|0,0,2]=4 5682 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,1,0,1,0,0|0,0,2]=4 5683 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,1,0,1,0,0|0,0,2]=4 5684 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,1,0,1,0,0|0,0,2]=4 5685 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,1,0,1,0,0|0,0,2]=4 5686 B9R1.16 OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000230001 [0,1,0,1,0,0|1,0,1]=4 5687 B9R1.16 OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000230001 [0,1,0,1,0,0|1,0,1]=4 5688 B9R1.16 OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000230001 [0,1,0,1,0,0|1,0,1]=4 5689 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [0,1,0,1,0,0|1,0,1]=4 5690 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [0,1,0,1,0,0|1,0,0]=3 5691 B9R1.17 CCC=NNC1CCC1 4a_100000736358_100000210100 [0,1,0,1,0,0|2,0,0]=4 5692 B9R1.17 CCC=NNC1COC1 4a_100015188821_100000210100 [0,1,0,1,0,0|2,0,0]=4 5693 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,1,0,1,0,0|1,0,1]=4 5694 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,1,0,1,0,0|1,0,1]=4 5695 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,1,0,1,0,0|0,0,2]=4 5696 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,1,0,1,0,0|0,0,2]=4 5697 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,1,0,1,0,0|0,0,2]=4 5698 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,1,0,1,0,0|0,0,2]=4 5699 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,1,0,1,0,0|1,0,1]=4 5700 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,1,0,1,0,0|1,0,1]=4 5701 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,1,0,1,0,0|0,0,2]=4 5702 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,1,0,1,0,0|0,0,2]=4 5703 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,1,0,1,0,0|1,0,1]=4 5704 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,1,0,1,0,0|1,0,1]=4 5705 B9R1.17 CCNN=CC1CCC1 4a_100000756455_100000753134 [0,1,0,1,0,0|2,0,0]=4 5706 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,1,0,1,0,0|1,0,1]=4 5707 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,1,0,1,0,0|1,0,1]=4 5708 B9R1.17 COCNC[C@@H]1CCO1 2230a_100020831831_100000766300 [0,1,0,1,0,0|1,0,1]=4 5709 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [0,1,0,1,0,0|1,0,1]=4 5710 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [0,1,0,1,0,0|1,0,1]=4 5711 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [0,1,0,1,0,0|1,0,1]=4 5712 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [0,1,0,1,0,0|1,0,1]=4 5713 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [0,1,0,1,0,0|1,0,1]=4 5714 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [0,1,0,1,0,0|1,0,1]=4 5715 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [0,1,0,1,0,0|1,0,1]=4 5716 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [0,1,0,1,0,0|1,0,1]=4 5717 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [0,1,0,1,0,0|1,0,1]=4 5718 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [0,1,0,1,0,0|1,0,1]=4 5719 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [0,1,0,1,0,0|1,0,1]=4 5720 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [0,1,0,1,0,0|1,0,1]=4 5721 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [0,1,0,1,0,0|1,0,1]=4 5722 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [0,1,0,1,0,0|1,0,1]=4 5723 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,1,0,1,0,0|0,0,2]=4 5724 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [0,1,0,1,0,0|0,0,2]=4 5725 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [0,1,0,1,0,0|0,0,2]=4 5726 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [0,1,0,1,0,0|0,0,2]=4 5727 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [0,1,0,1,0,0|1,0,1]=4 5728 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,1,0,1,0,0|0,0,2]=4 5729 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [0,1,0,1,0,0|1,0,1]=4 5730 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [0,1,0,1,0,0|0,0,2]=4 5731 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [0,1,0,1,0,0|1,0,1]=4 5732 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [0,1,0,1,0,0|0,0,2]=4 5733 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [0,1,0,1,0,0|0,0,2]=4 5734 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [0,1,0,1,0,0|0,0,2]=4 5735 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [0,1,0,1,0,0|0,0,2]=4 5736 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [0,1,0,1,0,0|0,0,2]=4 5737 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [0,1,0,1,0,0|1,0,1]=4 5738 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [0,1,0,1,0,0|1,0,1]=4 5739 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [0,1,0,1,0,0|1,0,1]=4 5740 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [0,1,0,1,0,0|1,0,1]=4 5741 B9R1.17 OCCNN=C1CCC1 4a_100000210001_100000241760 [0,1,0,1,0,0|1,0,1]=4 5742 B9R1.17 OCCNN=C1COC1 4a_100000210001_100000058695 [0,1,0,1,0,0|2,0,0]=4 5743 B9R1.17 OCCNN=C1CSC1 4a_100000210001_100000073008 [0,1,0,1,0,0|2,0,0]=4 5744 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [0,1,0,1,0,0|0,0,2]=4 5745 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,1,0,1,0,0|1,0,1]=4 5746 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [0,1,0,1,0,0|0,0,2]=4 5747 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [0,1,0,1,0,0|0,0,2]=4 5748 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,1,0,1,0,0|1,0,1]=4 5749 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,1,0,1,0,0|1,0,1]=4 5750 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,1,0,1,0,0|0,0,2]=4 5751 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,1,0,1,0,0|0,0,2]=4 5752 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,1,0,0|1,0,1]=4 5753 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|1,0,1]=4 5754 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|1,0,1]=4 5755 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [0,1,0,1,0,0|1,0,1]=4 5756 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [0,1,0,1,0,0|1,0,1]=4 5757 B9R1.83 C/C=C/COCC1CO1 34a_100016270725_102125554688 [0,1,0,1,0,0|0,0,2]=4 5758 B9R1.83 C/C=C/COC[C@@H]1CO1 34a_100000757423_100102629194 [0,1,0,1,0,0|0,0,2]=4 5759 B9R1.83 C/C=C/CSCC1CO1 62a_100102629194_102125554688 [0,1,0,1,0,0|0,0,2]=4 5760 B9R1.83 C/C=C/CSCC1CO1 62a_102125554688_100102629194 [0,1,0,1,0,0|0,0,2]=4 5761 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100000745022_100102629194 [0,1,0,1,0,0|0,0,2]=4 5762 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100102629194_100000745022 [0,1,0,1,0,0|0,0,2]=4 5763 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [0,1,0,1,0,0|1,0,0]=3 5764 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [0,1,0,1,0,0|1,0,0]=3 5765 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [0,1,0,1,0,0|1,0,0]=3 5766 B9R1.83 CC=CCOC[C@@H]1CO1 34a_100000757423_100000070051 [0,1,0,1,0,0|0,0,2]=4 5767 B9R1.83 CC=CCSCC1CO1 62a_100000070051_102125554688 [0,1,0,1,0,0|0,0,2]=4 5768 B9R1.83 CC=CCSCC1CO1 62a_102125554688_100000070051 [0,1,0,1,0,0|0,0,2]=4 5769 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000070051_100000745022 [0,1,0,1,0,0|0,0,2]=4 5770 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000745022_100000070051 [0,1,0,1,0,0|0,0,2]=4 5771 B9R1.83 CCC=NNCC1CC1 4a_100000736359_100000210100 [0,1,0,1,0,0|2,0,0]=4 5772 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,1,0,1,0,0|0,0,2]=4 5773 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,1,0,1,0,0|0,0,2]=4 5774 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,1,0,1,0,0|0,0,2]=4 5775 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,1,0,1,0,0|0,0,2]=4 5776 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,1,0,1,0,0|0,0,2]=4 5777 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,1,0,1,0,0|0,0,2]=4 5778 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,1,0,1,0,0|0,0,2]=4 5779 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,1,0,1,0,0|0,0,2]=4 5780 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,1,0,1,0,0|0,0,2]=4 5781 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,1,0,1,0,0|0,0,2]=4 5782 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,1,0,1,0,0|0,0,2]=4 5783 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,1,0,1,0,0|0,0,2]=4 5784 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,1,0,1,0,0|0,0,2]=4 5785 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,1,0,1,0,0|0,0,2]=4 5786 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,1,0,1,0,0|0,0,2]=4 5787 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,1,0,1,0,0|0,0,2]=4 5788 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,1,0,1,0,0|0,0,2]=4 5789 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [0,1,0,1,0,0|1,0,1]=4 5790 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [0,1,0,1,0,0|1,0,1]=4 5791 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [0,1,0,1,0,0|1,0,1]=4 5792 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [0,1,0,1,0,0|1,0,1]=4 5793 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,1,0,1,0,0|0,0,2]=4 5794 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,1,0,1,0,0|0,0,2]=4 5795 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [0,1,0,1,0,0|1,0,1]=4 5796 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [0,1,0,1,0,0|1,0,1]=4 5797 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [0,1,0,1,0,0|1,0,1]=4 5798 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [0,1,0,1,0,0|1,0,1]=4 5799 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [0,1,0,1,0,0|1,0,1]=4 5800 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [0,1,0,1,0,0|1,0,1]=4 5801 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [0,1,0,1,0,0|1,0,1]=4 5802 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [0,1,0,1,0,0|1,0,1]=4 5803 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [0,1,0,1,0,0|1,0,1]=4 5804 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [0,1,0,1,0,0|1,0,1]=4 5805 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [0,1,0,1,0,0|1,0,1]=4 5806 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [0,1,0,1,0,0|1,0,1]=4 5807 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [0,1,0,1,0,0|1,0,1]=4 5808 B9R1.83 CSCCNCC1CO1 2230a_100020590264_100011216344 [0,1,0,1,0,0|1,0,1]=4 5809 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [0,1,0,1,0,0|1,0,1]=4 5810 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [0,1,0,1,0,0|1,0,1]=4 5811 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [0,1,0,1,0,0|1,0,1]=4 5812 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [0,1,0,1,0,0|1,0,1]=4 5813 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [0,1,0,1,0,0|1,0,1]=4 5814 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [0,1,0,1,0,0|1,0,1]=4 5815 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [0,1,0,1,0,0|1,0,1]=4 5816 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [0,1,0,1,0,0|1,0,1]=4 5817 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [0,1,0,1,0,0|1,0,1]=4 5818 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [0,1,0,1,0,0|1,0,1]=4 5819 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [0,1,0,1,0,0|1,0,1]=4 5820 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [0,1,0,1,0,0|1,0,1]=4 5821 B9R1.83 FCCCNCC1CO1 2230a_100015189416_100011216344 [0,1,0,1,0,0|1,0,1]=4 5822 B9R1.83 FCCCNCC1CO1 34a_100015189416_102125554688 [0,1,0,1,0,0|1,0,1]=4 5823 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [0,1,0,1,0,0|1,0,1]=4 5824 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [0,1,0,1,0,0|1,0,1]=4 5825 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [0,1,0,1,0,0|1,0,1]=4 5826 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [0,1,0,1,0,0|1,0,1]=4 5827 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [0,1,0,1,0,0|1,0,1]=4 5828 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [0,1,0,1,0,0|1,0,1]=4 5829 B9R1.83 FCCNCCC1CO1 34a_100000724931_100000732470 [0,1,0,1,0,0|1,0,1]=4 5830 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [0,1,0,1,0,0|1,0,1]=4 5831 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [0,1,0,1,0,0|1,0,1]=4 5832 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [0,1,0,1,0,0|1,0,1]=4 5833 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [0,1,0,1,0,0|1,0,1]=4 5834 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [0,1,0,1,0,0|1,0,1]=4 5835 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [0,1,0,1,0,0|0,0,2]=4 5836 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [0,1,0,1,0,0|0,0,2]=4 5837 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [0,1,0,1,0,0|0,0,2]=4 5838 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [0,1,0,1,0,0|0,0,2]=4 5839 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [0,1,0,1,0,0|0,0,2]=4 5840 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [0,1,0,1,0,0|0,0,2]=4 5841 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [0,1,0,1,0,0|0,0,2]=4 5842 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [0,1,0,1,0,0|1,0,1]=4 5843 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [0,1,0,1,0,0|0,0,2]=4 5844 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [0,1,0,1,0,0|0,0,2]=4 5845 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [0,1,0,1,0,0|1,0,1]=4 5846 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [0,1,0,1,0,0|1,0,1]=4 5847 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [0,1,0,1,0,0|1,0,1]=4 5848 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [0,1,0,1,0,0|1,0,1]=4 5849 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [0,1,0,1,0,0|1,0,1]=4 5850 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [0,1,0,1,0,0|1,0,1]=4 5851 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [0,1,0,1,0,0|0,0,2]=4 5852 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [0,1,0,1,0,0|0,0,2]=4 5853 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [0,1,0,1,0,0|0,0,2]=4 5854 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [0,1,0,1,0,0|1,0,1]=4 5855 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [0,1,0,1,0,0|1,0,1]=4 5856 B9R1.83 OCCNN=CC1CC1 4a_100000210001_100000741477 [0,1,0,1,0,0|1,0,1]=4 5857 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [0,1,0,1,0,0|0,0,2]=4 5858 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [0,1,0,1,0,0|0,0,2]=4 5859 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [0,1,0,1,0,0|1,0,1]=4 5860 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [0,1,0,1,0,0|0,0,2]=4 5861 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [0,1,0,1,0,0|0,0,2]=4 5862 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [0,1,0,1,0,0|1,0,1]=4 5863 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [0,1,0,1,0,0|1,0,1]=4 5864 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,1,0,0|0,0,2]=4 5865 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,1,0,0|0,0,2]=4 5866 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,1,0,0|0,0,2]=4 5867 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,1,0,0|0,0,2]=4 5868 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,1,0,0|0,0,2]=4 5869 B9R1.1 CC1=CCN(CC1)CF 269982a_100000693516_100015361967 [0,1,0,1,0,0|2,0,0]=4 5870 B9R1.1 CC1=CCN(CC1)CF 34a_100000693516_100015361967 [0,1,0,1,0,0|2,0,0]=4 5871 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,1,0,1,0,0|2,0,0]=4 5872 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,1,0,1,0,0|2,0,0]=4 5873 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,1,0,1,0,0|2,0,0]=4 5874 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,1,0,1,0,0|1,0,1]=4 5875 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,1,0,1,0,0|1,0,1]=4 5876 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,1,0,1,0,0|1,0,1]=4 5877 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,1,0,1,0,0|1,0,1]=4 5878 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,1,0,1,0,0|1,0,1]=4 5879 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,1,0,1,0,0|1,0,1]=4 5880 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|1,0,0]=3 5881 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,1,0,0|2,0,0]=4 5882 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|2,0,0]=4 5883 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|1,0,1]=4 5884 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|1,0,1]=4 5885 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|0,1,1]=4 5886 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 5887 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 5888 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|0,0,1]=3 5889 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|2,0,0]=4 5890 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|2,0,0]=4 5891 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|2,0,0]=4 5892 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|1,0,1]=4 5893 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|1,0,1]=4 5894 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|1,0,1]=4 5895 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|1,0,1]=4 5896 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,1,0,0|2,0,0]=4 5897 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|1,0,1]=4 5898 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,1,0,1,0,0|1,0,1]=4 5899 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,1,0,1,0,0|1,0,1]=4 5900 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,1,0,1,0,0|1,0,1]=4 5901 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 5902 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 5903 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 5904 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 5905 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 5906 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 5907 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,1,0,1,0,0|1,0,1]=4 5908 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|1,0,1]=4 5909 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|1,0,1]=4 5910 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|0,0,1]=3 5911 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 5912 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 5913 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 5914 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 5915 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [0,1,0,1,0,0|1,0,1]=4 5916 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [0,1,0,1,0,0|1,0,1]=4 5917 B9R1.79 C[C@@H](CO)CN1CCC1 269982a_100000754969_100000059175 [0,1,0,1,0,0|1,0,1]=4 5918 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|1,0,1]=4 5919 B9R1.80 CC(CO)CNC1CC1 34a_100000744482_100000211595 [0,1,0,1,0,0|1,0,1]=4 5920 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|1,0,1]=4 5921 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|1,0,1]=4 5922 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|1,0,1]=4 5923 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|0,0,1]=3 5924 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 5925 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 5926 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 5927 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 5928 B9R1.80 CCC(C)NCC1CO1 2230a_100000209981_100011216344 [0,1,0,1,0,0|1,0,1]=4 5929 B9R1.80 CCC(C)OCC1CO1 7a_100000210228_102125554688 [0,1,0,1,0,0|1,0,1]=4 5930 B9R1.80 CCC(C)OC[C@@H]1CO1 34a_100000757423_100011215416 [0,1,0,1,0,0|1,0,1]=4 5931 B9R1.80 CCC(C)OC[C@@H]1CO1 7a_100000210228_100000745022 [0,1,0,1,0,0|1,0,1]=4 5932 B9R1.80 CCC(C)SCC1CO1 62a_100000758301_102125554688 [0,1,0,1,0,0|1,0,1]=4 5933 B9R1.80 CCC(C)SCC1CO1 62a_102125554688_100000758301 [0,1,0,1,0,0|1,0,1]=4 5934 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000745022_100000758301 [0,1,0,1,0,0|1,0,1]=4 5935 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000758301_100000745022 [0,1,0,1,0,0|1,0,1]=4 5936 B9R1.80 CCN(C)CCC1CO1 2230a_100000225621_100000732470 [0,1,0,1,0,0|1,0,1]=4 5937 B9R1.80 CCN(C)CCC1CO1 269982a_100000225621_100000732470 [0,1,0,1,0,0|1,0,1]=4 5938 B9R1.80 C[C@@H](CO)CNC1CC1 34a_100000212008_100000059175 [0,1,0,1,0,0|1,0,1]=4 5939 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [0,1,0,1,0,0|1,0,1]=4 5940 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|1,0,1]=4 5941 B9R1.80 OCC(O)CNC1CC1 34a_100000212008_100011219619 [0,1,0,1,0,0|1,0,1]=4 5942 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,1,0,1,0,0|1,0,1]=4 5943 B9R1.80 OC[C@H](F)CNC1CC1 34a_100015665980_100000211595 [0,1,0,1,0,0|1,0,1]=4 5944 B9R1.80 OC[C@H](O)CNC1CC1 34a_100000212008_100009815848 [0,1,0,1,0,0|1,0,1]=4 5945 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,1,0,1,0,0|1,0,1]=4 5946 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 5947 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 5948 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 5949 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|1,0,1]=4 5950 B9R1.99 CC1(CC1)NCCCO 2230a_100000757604_100000230001 [0,1,0,1,0,0|1,0,1]=4 5951 B9R1.99 CC1(CC1)OCCCO 7a_100011725673_100011215043 [0,1,0,1,0,0|1,0,1]=4 5952 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [0,1,0,1,0,0|1,0,1]=4 5953 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [0,1,0,1,0,0|1,0,1]=4 5954 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [0,1,0,1,0,0|1,0,1]=4 5955 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|1,0,1]=4 5956 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,1,0,1,0,0|0,0,1]=3 5957 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,1,0,1,0,0|1,0,1]=4 5958 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,1,0,1,0,0|0,0,2]=4 5959 B9R1.6 CC(C)N1CC=CCC1 2230a_100000698166_100000210206 [0,1,0,1,0,0|2,0,0]=4 5960 B9R1.6 CC(C)N1CC=CCC1 269982a_100000698166_100000210206 [0,1,0,1,0,0|2,0,0]=4 5961 B9R1.6 CC(C)N1CC=CCC1 34a_100000698166_100000210206 [0,1,0,1,0,0|2,0,0]=4 5962 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|1,0,1]=4 5963 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,1,0,1,0,0|0,0,1]=3 5964 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,1,0,1,0,0|1,0,1]=4 5965 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,1,0,1,0,0|0,0,2]=4 5966 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,1,0,1,0,0|1,0,1]=4 5967 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,1,0,1,0,0|0,0,2]=4 5968 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,1,0,1,0,0|1,0,1]=4 5969 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,1,0,1,0,0|1,0,1]=4 5970 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,1,0,1,0,0|0,0,2]=4 5971 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [0,1,0,1,0,0|1,0,1]=4 5972 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [0,1,0,1,0,0|1,0,1]=4 5973 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [0,1,0,1,0,0|1,0,1]=4 5974 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [0,1,0,1,0,0|1,0,1]=4 5975 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,1,0,1,0,0|1,0,1]=4 5976 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,1,0,1,0,0|1,0,1]=4 5977 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,1,0,1,0,0|1,0,1]=4 5978 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,1,0,1,0,0|1,0,1]=4 5979 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,1,0,1,0,0|1,0,1]=4 5980 B9R1.85 CC(Br)COCC1CO1 34a_100012180447_102125554688 [0,1,0,1,0,0|1,0,1]=4 5981 B9R1.85 CC(C)CNCC1CO1 2230a_100000210953_100011216344 [0,1,0,1,0,0|1,0,1]=4 5982 B9R1.85 CC(C)CNCC1CO1 34a_100000210953_102125554688 [0,1,0,1,0,0|1,0,1]=4 5983 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [0,1,0,1,0,0|1,0,1]=4 5984 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [0,1,0,1,0,0|1,0,1]=4 5985 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,1,0,1,0,0|1,0,1]=4 5986 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,1,0,1,0,0|1,0,1]=4 5987 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,1,0,1,0,0|1,0,1]=4 5988 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,1,0,1,0,0|1,0,1]=4 5989 B9R1.85 CC(C)NCCC1CO1 2230a_100138425928_100000732470 [0,1,0,1,0,0|1,0,1]=4 5990 B9R1.85 CC(C)NCCC1CO1 34a_100138425928_100000732470 [0,1,0,1,0,0|1,0,1]=4 5991 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [0,1,0,1,0,0|1,0,1]=4 5992 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [0,1,0,1,0,0|1,0,1]=4 5993 B9R1.85 CC(C)SCCC1CO1 62a_100000210206_100000732470 [0,1,0,1,0,0|1,0,1]=4 5994 B9R1.85 CC(C)SCCC1CO1 62a_100000732470_100000210206 [0,1,0,1,0,0|1,0,1]=4 5995 B9R1.85 CC(F)COCC1CO1 34a_100015925927_102125554688 [0,1,0,1,0,0|1,0,1]=4 5996 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,1,0,1,0,0|1,0,1]=4 5997 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,1,0,1,0,0|1,0,1]=4 5998 B9R1.85 CC(O)CNCC1CO1 2230a_100000210904_100011216344 [0,1,0,1,0,0|1,0,1]=4 5999 B9R1.85 CC(O)CNCC1CO1 34a_100000210904_102125554688 [0,1,0,1,0,0|1,0,1]=4 6000 B9R1.85 CC(O)COC[C@@H]1CO1 34a_100000757423_100011218427 [0,1,0,1,0,0|1,0,1]=4 6001 B9R1.85 CC(O)CSCC1CO1 62a_100011218427_102125554688 [0,1,0,1,0,0|1,0,1]=4 6002 B9R1.85 CC(O)CSCC1CO1 62a_102125554688_100011218427 [0,1,0,1,0,0|1,0,1]=4 6003 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100000745022_100011218427 [0,1,0,1,0,0|1,0,1]=4 6004 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100011218427_100000745022 [0,1,0,1,0,0|1,0,1]=4 6005 B9R1.85 C[C@@H](Cl)COCC1CO1 34a_100016084084_102125554688 [0,1,0,1,0,0|1,0,1]=4 6006 B9R1.85 C[C@@H](N)COCC1CO1 34a_100000737577_102125554688 [0,1,0,1,0,0|1,0,1]=4 6007 B9R1.85 C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100009817552 [0,1,0,1,0,0|1,0,1]=4 6008 B9R1.85 C[C@@H](O)CSCC1CO1 62a_100009817552_102125554688 [0,1,0,1,0,0|1,0,1]=4 6009 B9R1.85 C[C@@H](O)CSCC1CO1 62a_102125554688_100009817552 [0,1,0,1,0,0|1,0,1]=4 6010 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100009817552 [0,1,0,1,0,0|1,0,1]=4 6011 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100009817552_100000745022 [0,1,0,1,0,0|1,0,1]=4 6012 B9R2.39 CN1CC2C=CC1C2 2230a_100000732668_200000210301 [0,0,0,2,0,0|2,0,0]=4 6013 B9R2.39 CN1CC2C=CC1C2 269982a_100000732668_200000210301 [0,0,0,2,0,0|2,0,0]=4 6014 B9R2.39 CN1CC2C=CC1C2 34a_100000732668_200000210301 [0,0,0,2,0,0|2,0,0]=4 6015 B9R2.39 [13CH3]N1CC2C=CC1C2 2230a_100000732668_200025704644 [0,0,0,2,0,0|2,0,0]=4 6016 B9R2.39 [13CH3]N1CC2C=CC1C2 269982a_100000732668_200025704644 [0,0,0,2,0,0|2,0,0]=4 6017 B9R2.39 [13CH3]N1CC2C=CC1C2 34a_100000732668_200025704644 [0,0,0,2,0,0|2,0,0]=4 6018 B9R2.157 C1CN(C1)CC2CO2 269982a_100000754969_102125554688 [0,0,0,2,0,0|1,0,1]=4 6019 B9R2.157 C1CN(C1)C[C@@H]2CO2 269982a_100000754969_100000745022 [0,0,0,2,0,0|1,0,1]=4 6020 B9R2.69 C1CC1NCC2CO2 34a_100000212008_102125554688 [0,0,0,2,0,0|1,0,1]=4 6021 B9R2.69 C1CC1OC[C@@H]2CO2 34a_100000757423_100000211595 [0,0,0,2,0,0|1,0,1]=4 6022 B9R2.69 C1CC1SC[C@@H]2CO2 62a_100000745022_100000211595 [0,0,0,2,0,0|1,0,1]=4 6023 B9R2.69 C1OC1CSC2CC2 62a_102125554688_100000211595 [0,0,0,2,0,0|1,0,1]=4