0 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.6 C#CCCNCF 34a_100000755551_100015361967 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 C#CCNCCF 34a_100000212058_100011217306 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.6 C#CCNCCF 34a_100000724931_100000184674 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,0,0,0,0,0|1,0,2]=3 37 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,0,0,0,0,0|1,0,2]=3 41 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,0,0,0,0|2,0,2]=4 50 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,0,0,0,0|2,0,1]=3 54 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,0,0,0,0|2,0,1]=3 63 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,0,0,0,0|2,0,1]=3 74 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,0,0,0,0|2,0,1]=3 75 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|2,0,1]=3 78 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,0,0,0,0|1,0,2]=3 81 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,0,0,0,0|1,0,2]=3 82 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,0,0,0,0|1,0,2]=3 83 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|2,0,1]=3 87 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|2,0,1]=3 88 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,0,0,0,0|2,0,2]=4 89 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,0,0,0,0|2,0,2]=4 90 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,0,0,0,0|1,0,2]=3 91 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|2,0,1]=3 94 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,0,0,0,0|2,0,2]=4 95 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,0,0,0,0|2,0,2]=4 96 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,0,0,0,0|1,0,2]=3 97 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,0,0,0,0|1,0,2]=3 98 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,0,0,0,0,0|2,0,2]=4 113 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,0,0,0,0,0|2,0,2]=4 114 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,0,0,0,0,0|2,0,2]=4 115 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,0,0,0,0,0|2,0,2]=4 116 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,0,0,0,0,0|2,0,2]=4 117 B6R0.6 CC#CCNCF 34a_100000685387_100015361967 [0,0,0,0,0,0|2,0,2]=4 118 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,0,0,0,0,0|2,0,2]=4 119 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,0,0,0,0,0|2,0,2]=4 120 B6R0.6 CC#CCOCF 34a_100000761923_100015361967 [0,0,0,0,0,0|2,0,2]=4 121 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,0,0,0,0,0|2,0,2]=4 122 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,0,0,0,0,0|2,0,2]=4 123 B6R0.6 CC#CCSCF 62a_100000748600_100015361967 [0,0,0,0,0,0|2,0,2]=4 124 B6R0.6 CC#CCSCF 62a_100015361967_100000748600 [0,0,0,0,0,0|2,0,2]=4 125 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,0,0,0,0,0|2,0,2]=4 126 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,0,0,0,0,0|2,0,2]=4 127 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,0,0,0,0,0|2,0,2]=4 128 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,0,0,0,0,0|2,0,2]=4 129 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,0,0,0,0,0|2,0,2]=4 130 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,0,0,0,0,0|2,0,2]=4 131 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,0,0,0,0,0|2,0,2]=4 132 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,0,0,0,0,0|2,0,2]=4 133 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,0,0,0,0,0|2,0,2]=4 134 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,0,0,0,0,0|2,0,2]=4 135 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,0,0,0,0|2,0,2]=4 136 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,0,0,0,0|2,0,2]=4 137 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,0,0,0,0|2,0,2]=4 138 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,0,0,0,0|2,0,2]=4 139 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,0,0,0,0,0|2,0,2]=4 140 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,0,0,0,0,0|2,0,2]=4 141 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,0,0,0,0|3,0,1]=4 142 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,0,0,0,0,0|2,0,1]=3 143 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,0,0,0,0,0|2,0,2]=4 144 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,0,0,0,0,0|2,0,2]=4 145 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,0,0,0,0,0|2,0,2]=4 146 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,0,0,0,0,0|2,0,2]=4 147 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,0,0,0,0,0|2,0,2]=4 148 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,0,0,0,0,0|2,0,2]=4 149 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,0,0,0,0,0|2,0,2]=4 150 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,0,0,0,0,0|2,0,2]=4 151 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,0,0,0,0,0|2,0,2]=4 152 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,0,0,0,0,0|2,0,2]=4 153 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|2,0,0]=2 155 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|2,0,0]=2 156 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|2,0,0]=2 157 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|2,0,0]=2 158 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|2,0,0]=2 159 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|2,0,0]=2 160 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|2,0,0]=2 161 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|2,0,0]=2 162 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|2,0,0]=2 163 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|2,0,0]=2 164 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|2,0,0]=2 165 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|2,0,0]=2 166 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|2,0,0]=2 167 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,0,0,0,0|2,0,0]=2 169 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,0,0,0,0|2,0,0]=2 170 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,0,0,0,0|2,0,0]=2 171 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,0,0,0,0|2,0,0]=2 172 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,0,0,0,0|2,0,0]=2 173 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,0,0,0,0|2,0,0]=2 174 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,0,0,0,0|2,0,0]=2 175 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,0,0,0,0|2,0,0]=2 176 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,0,0,0,0|2,0,0]=2 177 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,0,0,0,0|2,0,0]=2 178 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,0,0,0,0|2,0,0]=2 179 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,0,0,0,0|2,0,0]=2 180 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,0,0,0,0|2,0,0]=2 181 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,0,0,0,0|2,0,0]=2 182 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,0,0,0,0|1,0,0]=1 183 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,0,0,0,0|1,0,0]=1 184 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|1,0,2]=3 185 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,0,0,0,0|2,0,0]=2 186 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,0,0,0,0|2,0,0]=2 187 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,0,0,0,0|2,0,0]=2 188 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,0,0,0,0|2,0,0]=2 189 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,0,0,0,0|1,0,0]=1 190 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,0,0,0,0|3,0,0]=3 191 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,0,0,0,0|2,0,1]=3 192 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,0,0,0,0|2,0,1]=3 193 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|1,0,2]=3 194 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|1,0,2]=3 195 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,0,0,0,0|2,0,0]=2 196 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,0,0,0,0|2,0,0]=2 197 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,0,0,0,0|2,0,0]=2 198 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,0,0,0,0|1,0,0]=1 199 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,0,0,0,0|1,0,0]=1 200 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,0,0,0,0|3,0,0]=3 201 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,0,0,0,0|3,0,0]=3 202 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,0,0,0,0|3,0,0]=3 203 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,0,0,0,0|3,0,0]=3 204 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,0,0,0,0|2,0,1]=3 205 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,0,0,0,0|2,0,0]=2 206 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,0,0,0,0|2,0,0]=2 207 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,0,0,0,0|2,0,0]=2 208 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,0,0,0,0|1,0,0]=1 209 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,0,0,0,0|3,0,0]=3 210 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,0,0,0,0|3,0,0]=3 211 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,0,0,0,0|3,0,0]=3 212 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,0,0,0,0|3,0,0]=3 213 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,0,0,0,0|2,0,0]=2 214 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,0,0,0,0|2,0,0]=2 215 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,0,0,0,0|2,0,0]=2 216 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,0,0,0,0|2,0,0]=2 217 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,0,0,0,0|2,0,0]=2 218 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,0,0,0,0|1,0,0]=1 219 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,0,0,0,0|3,0,0]=3 220 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,0,0,0,0|3,0,0]=3 221 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,0,0,0,0|3,0,0]=3 222 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,0,0,0,0|3,0,0]=3 223 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,0,0,0,0|3,0,0]=3 224 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,0,0,0,0|3,0,0]=3 225 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,0,0,0,0|3,0,0]=3 226 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,0,0,0,0|3,0,0]=3 227 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,0,0,0,0|3,0,0]=3 228 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,0,0,0,0|3,0,0]=3 229 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,0,0,0,0|3,0,0]=3 230 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,0,0,0,0|3,0,0]=3 231 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,0,0,0,0|3,0,0]=3 232 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,0,0,0,0|3,0,0]=3 233 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,0,0,0,0|3,0,0]=3 234 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,0,0,0,0|3,0,0]=3 235 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,0,0,0,0|3,0,0]=3 236 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,0,0,0,0|3,0,0]=3 237 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,0,0,0,0|3,0,0]=3 238 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,0,0,0,0|3,0,0]=3 239 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,0,0,0,0|3,0,0]=3 240 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,0,0,0,0|3,0,0]=3 241 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,0,0,0,0,0|3,0,0]=3 242 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,0,0,0,0,0|3,0,0]=3 243 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,0,0,0,0,0|3,0,0]=3 244 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,0,0,0,0,0|3,0,0]=3 245 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,0,0,0,0|2,0,1]=3 246 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,0,0,0,0|2,0,1]=3 247 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,0,0,0,0|2,0,0]=2 248 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,0,0,0,0|2,0,0]=2 249 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,0,0,0,0|1,0,0]=1 250 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,0,0,0,0|1,0,0]=1 251 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,0,0,0,0|3,0,0]=3 252 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,0,0,0,0|3,0,0]=3 253 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,0,0,0,0|3,0,0]=3 254 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,0,0,0,0|3,0,0]=3 255 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,0,0,0,0|3,0,0]=3 256 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,0,0,0,0|3,0,0]=3 257 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,0,0,0,0|3,0,0]=3 258 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,0,0,0,0|3,0,0]=3 259 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,0,0,0,0|3,0,0]=3 260 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,0,0,0,0|3,0,0]=3 261 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,0,0,0,0|3,0,0]=3 262 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,0,0,0,0|3,0,0]=3 263 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,0,0,0,0|3,0,0]=3 264 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,0,0,0,0|3,0,0]=3 265 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,0,0,0,0|3,0,0]=3 266 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,0,0,0,0|3,0,0]=3 267 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,0,0,0,0|3,0,0]=3 268 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,0,0,0,0|3,0,0]=3 269 B6R0.6 CCSCSC#N 62a_100000210202_100000211825 [0,0,0,0,0,0|3,0,1]=4 270 B6R0.6 CCSCSC#N 62a_100000211825_100000210202 [0,0,0,0,0,0|3,0,1]=4 271 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,0,0,0,0,0|1,0,2]=3 272 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,0,0,0,0,0|1,0,2]=3 273 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,0,0,0,0,0|1,0,2]=3 274 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,0,0,0,0|2,0,1]=3 275 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,0,0,0,0|2,0,1]=3 276 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,0,0,0,0|1,0,2]=3 277 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,0,0,0,0|1,0,2]=3 278 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,0,0,0,0|2,0,0]=2 279 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,0,0,0,0|2,0,0]=2 280 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,0,0,0,0|2,0,0]=2 281 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,0,0,0,0|1,0,0]=1 282 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,0,0,0,0|1,0,0]=1 283 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,0,0,0,0|1,0,0]=1 284 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,0,0,0,0|1,0,0]=1 285 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,0,0,0,0|1,0,0]=1 286 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,0,0,0,0|3,0,0]=3 287 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,0,0,0,0|3,0,0]=3 288 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,0,0,0,0|3,0,0]=3 289 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,0,0,0,0|3,0,0]=3 290 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,0,0,0,0|3,0,0]=3 291 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,0,0,0,0|3,0,0]=3 292 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,0,0,0,0|3,0,0]=3 293 B6R0.6 COCC#CCCl 34a_200000047223_200000210301 [0,0,0,0,0,0|2,0,2]=4 294 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,0,0,0,0,0|1,0,2]=3 295 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,0,0,0,0|2,0,0]=2 296 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,0,0,0,0|2,0,0]=2 297 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,0,0,0,0|2,0,0]=2 298 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,0,0,0,0|2,0,0]=2 299 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,0,0,0,0|2,0,0]=2 300 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,0,0,0,0|2,0,0]=2 301 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,0,0,0,0|2,0,0]=2 302 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,0,0,0,0|2,0,0]=2 303 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,0,0,0,0|1,0,0]=1 304 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,0,0,0,0|3,0,0]=3 305 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,0,0,0,0|3,0,0]=3 306 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,0,0,0,0|3,0,0]=3 307 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,0,0,0,0|3,0,0]=3 308 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,0,0,0,0|3,0,0]=3 309 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,0,0,0,0|3,0,0]=3 310 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,0,0,0,0|3,0,0]=3 311 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,0,0,0,0|3,0,0]=3 312 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,0,0,0,0|3,0,0]=3 313 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,0,0,0,0|3,0,0]=3 314 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,0,0,0,0,0|3,0,0]=3 315 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,0,0,0,0,0|3,0,0]=3 316 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,0,0,0,0,0|3,0,0]=3 317 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,0,0,0,0|2,0,0]=2 318 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,0,0,0,0,0|3,0,1]=4 319 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,0,0,0,0,0|3,0,1]=4 320 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,0,0,0,0,0|2,0,2]=4 321 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,0,0,0,0,0|2,0,2]=4 322 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,0,0,0,0|3,0,0]=3 323 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,0,0,0,0|3,0,0]=3 324 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,0,0,0,0|2,0,0]=2 325 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,0,0,0,0|2,0,0]=2 326 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,0,0,0,0,0|4,0,0]=4 327 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,0,0,0,0,0|4,0,0]=4 328 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,0,0,0,0,0|4,0,0]=4 329 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,0,0,0,0,0|1,0,2]=3 330 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,0,0,0,0,0|1,0,2]=3 331 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,0,0,0,0|2,0,1]=3 332 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,0,0,0,0|2,0,1]=3 333 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,0,0,0,0|1,0,2]=3 334 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,0,0,0,0|1,0,2]=3 335 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,0,0,0,0|2,0,0]=2 336 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,0,0,0,0|2,0,0]=2 337 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,0,0,0,0|1,0,0]=1 338 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,0,0,0,0|1,0,0]=1 339 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,0,0,0,0|3,0,0]=3 340 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,0,0,0,0|3,0,0]=3 341 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,0,0,0,0|3,0,0]=3 342 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,0,0,0,0,0|3,0,0]=3 343 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,0,0,0,0,0|3,0,0]=3 344 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,0,0,0,0,0|3,0,1]=4 345 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,0,0,0,0,0|3,0,1]=4 346 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,0,0,0,0,0|3,0,0]=3 347 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,0,0,0,0,0|3,0,0]=3 348 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,0,0,0,0|3,0,0]=3 349 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,0,0,0,0|2,0,0]=2 350 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,0,0,0,0|2,0,0]=2 351 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,0,0,0,0|3,0,0]=3 352 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,0,0,0,0|3,0,0]=3 353 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,0,0,0,0,0|3,0,1]=4 354 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,0,0,0,0,0|3,0,1]=4 355 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,0,0,0,0,0|2,0,2]=4 356 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,0,0,0,0,0|2,0,2]=4 357 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,0,0,0,0|3,0,0]=3 358 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,0,0,0,0|3,0,0]=3 359 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,0,0,0,0|2,0,0]=2 360 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,0,0,0,0|2,0,0]=2 361 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,0,0,0,0,0|4,0,0]=4 362 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,0,0,0,0,0|3,0,0]=3 363 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,0,0,0,0|3,0,0]=3 364 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,0,0,0,0,0|3,0,0]=3 365 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,0,0,0,0,0|3,0,0]=3 366 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,0,0,0,0,0|3,0,0]=3 367 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,0,0,0,0,0|3,0,0]=3 368 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,0,0,0,0,0|3,0,0]=3 369 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,0,0,0,0|3,0,0]=3 370 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,0,0,0,0|3,0,0]=3 371 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [0,0,0,0,0,0|3,0,1]=4 372 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [0,0,0,0,0,0|3,0,1]=4 373 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,0,0,0,0,0|2,0,1]=3 374 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,0,0,0,0,0|3,0,1]=4 375 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,0,0,0,0,0|3,0,1]=4 376 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,0,0,0,0,0|2,0,1]=3 377 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,0,0,0,0,0|2,0,1]=3 378 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,0,0,0,0|3,0,0]=3 379 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,0,0,0,0|2,0,2]=4 380 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,0,0,0,0,0|3,0,0]=3 381 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,0,0,0,0,0|2,0,0]=2 382 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,0,0,0,0,0|4,0,0]=4 383 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,0,0,0,0|2,0,2]=4 384 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,0,0,0,0|2,0,1]=3 385 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,0,0,0,0|2,0,1]=3 386 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,0,0,0,0|2,0,2]=4 387 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,0,0,0,0|2,0,2]=4 388 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,0,0,0,0|2,0,2]=4 389 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,0,0,0,0|2,0,1]=3 390 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,0,0,0,0|2,0,1]=3 391 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,0,0,0,0,0|2,0,0]=2 392 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,0,0,0,0,0|2,0,0]=2 393 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,0,0,0,0,0|2,0,0]=2 394 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,0,0,0,0,0|2,0,0]=2 395 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,0,0,0,0,0|2,0,0]=2 396 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,0,0,0,0,0|2,0,0]=2 397 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,0,0,0,0,0|2,0,0]=2 398 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,0,0,0,0,0|2,0,0]=2 399 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,0,0,0,0,0|2,0,0]=2 400 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,0,0,0,0,0|2,0,0]=2 401 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,0,0,0,0,0|2,0,0]=2 402 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,0,0,0,0|1,0,0]=1 403 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,0,0,0,0|1,0,0]=1 404 B6R0.6 [13CH3]OCC#CCCl 34a_200000047223_200025704644 [0,0,0,0,0,0|2,0,2]=4 405 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,0,0,0,0|2,0,0]=2 406 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,0,0,0,0|2,0,0]=2 407 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,0,0,0,0|2,0,0]=2 408 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,0,0,0,0|2,0,0]=2 409 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,0,0,0,0|2,0,0]=2 410 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,0,0,0,0|2,0,0]=2 411 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,0,0,0,0|2,0,0]=2 412 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,0,0,0,0,0|1,0,2]=3 413 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,0,0,0,0,0|1,0,2]=3 414 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,0,0,0,0|2,0,1]=3 415 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,0,0,0,0|2,0,1]=3 416 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,0,0,0,0|1,0,2]=3 417 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,0,0,0,0|1,0,2]=3 418 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,0,0,0,0|2,0,0]=2 419 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,0,0,0,0|2,0,0]=2 420 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,0,0,0,0|1,0,0]=1 421 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,0,0,0,0|1,0,0]=1 422 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,0,0,0,0,0|3,0,1]=4 423 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,0,0,0,0,0|3,0,1]=4 424 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|1,0,2]=4 425 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|1,0,2]=4 426 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|1,0,2]=4 427 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|1,0,2]=4 428 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|1,0,2]=4 429 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|1,0,2]=4 430 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|1,0,2]=4 431 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|1,0,2]=4 432 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|1,0,2]=4 433 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|1,0,2]=4 434 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|1,0,2]=4 435 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|1,0,2]=4 436 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|1,0,2]=4 437 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|1,0,2]=4 438 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|1,0,2]=4 439 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|1,0,2]=4 440 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|1,0,2]=4 441 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|1,0,2]=4 442 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|1,0,2]=4 443 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|1,0,2]=4 444 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|1,0,2]=4 445 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|1,0,2]=4 446 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|1,0,2]=4 447 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|1,0,2]=4 448 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|1,0,2]=4 449 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|1,0,2]=4 450 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|1,0,2]=4 451 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|1,0,2]=4 452 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|1,0,2]=4 453 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|1,0,2]=4 454 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|1,0,2]=4 455 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|1,0,2]=4 456 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|1,0,2]=4 457 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|1,0,2]=4 458 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|1,0,2]=4 459 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|1,0,2]=4 460 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|1,0,2]=4 461 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|1,0,2]=4 462 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|1,0,2]=4 463 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|1,0,2]=4 464 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|1,0,2]=4 465 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|1,0,2]=4 466 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|1,0,2]=4 467 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|1,0,2]=4 468 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [1,0,0,0,0,0|1,0,2]=4 469 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [1,0,0,0,0,0|1,0,2]=4 470 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [1,0,0,0,0,0|1,0,2]=4 471 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [1,0,0,0,0,0|1,0,2]=4 472 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [1,0,0,0,0,0|1,0,2]=4 473 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [1,0,0,0,0,0|1,0,2]=4 474 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [1,0,0,0,0,0|1,0,2]=4 475 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,0,0,0,0,0|1,0,2]=4 476 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,0,0,0,0,0|1,0,2]=4 477 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,0,0,0,0,0|1,0,2]=4 478 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,0,0,0,0,0|1,0,2]=4 479 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,0,0,0,0,0|1,0,2]=4 480 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,0,0,0,0,0|1,0,2]=4 481 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,0,0,0,0,0|1,0,2]=4 482 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|1,0,2]=4 483 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|1,0,2]=4 484 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|1,0,2]=4 485 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|1,0,2]=4 486 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|1,0,2]=4 487 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|1,0,2]=4 488 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|1,0,2]=4 489 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|1,0,2]=4 490 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 491 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|1,0,0]=2 492 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|1,0,0]=2 493 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|1,0,0]=2 494 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|1,0,0]=2 495 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|1,0,0]=2 496 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|1,0,0]=2 497 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|1,0,0]=2 498 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|1,0,0]=2 499 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|1,0,0]=2 500 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|1,0,0]=2 501 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|1,0,0]=2 502 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|1,0,0]=2 503 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|1,0,0]=2 504 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|1,0,0]=2 505 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|1,0,0]=2 506 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|1,0,0]=2 507 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,0]=2 508 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|1,0,0]=2 509 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|1,0,0]=2 510 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,0]=3 511 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|1,0,0]=2 512 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|1,0,0]=2 513 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,0]=3 514 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,0]=3 515 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 516 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,2]=4 517 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,0]=3 518 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,0]=3 519 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|1,0,0]=2 520 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|1,0,0]=2 521 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|1,0,0]=2 522 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|2,0,0]=3 523 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,0]=3 524 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,2]=4 525 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,0]=3 526 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,0]=3 527 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,0]=3 528 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,0]=2 529 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|2,0,0]=3 530 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|2,0,0]=3 531 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|2,0,0]=3 532 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|2,0,0]=3 533 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|2,0,0]=3 534 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 535 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 536 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,2]=4 537 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,2]=4 538 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,0]=3 539 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,0]=3 540 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,0,0]=2 541 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,0,0]=2 542 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|2,0,0]=3 543 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|2,0,0]=3 544 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|2,0,0]=3 545 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|2,0,0]=3 546 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|2,0,1]=4 547 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|2,0,1]=4 548 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,0,0]=3 549 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,0,0]=3 550 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,0,0]=3 551 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,0,0]=3 552 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,0,0]=3 553 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|1,0,0]=2 554 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|1,0,0]=2 555 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|1,0,0]=2 556 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|2,0,0]=3 557 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|2,0,0]=3 558 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|2,0,0]=3 559 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|2,0,0]=3 560 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|2,0,0]=3 561 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|2,0,0]=3 562 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|2,0,0]=3 563 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|2,0,0]=3 564 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,0,0]=3 565 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,0,0]=3 566 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,0,0]=3 567 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,0,0]=3 568 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,0,0]=3 569 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|1,0,0]=2 570 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|2,0,0]=3 571 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|2,0,0]=3 572 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|2,0,0]=3 573 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|3,0,0]=4 574 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|2,0,0]=3 575 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|2,0,0]=3 576 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|2,0,0]=3 577 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|2,0,0]=3 578 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|2,0,0]=3 579 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|2,0,0]=3 580 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|2,0,0]=3 581 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|2,0,0]=3 582 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,0,0,0,0,0|3,0,0]=4 583 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,0,0,0,0,0|3,0,0]=4 584 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|2,0,1]=4 585 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|2,0,1]=4 586 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|2,0,0]=3 587 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|2,0,0]=3 588 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|1,0,0]=2 589 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|1,0,0]=2 590 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|2,0,0]=3 591 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|2,0,0]=3 592 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|2,0,0]=3 593 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|2,0,0]=3 594 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|2,0,0]=3 595 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|2,0,0]=3 596 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|2,0,0]=3 597 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,0,0,0,0,0|3,0,0]=4 598 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,0,0,0,0,0|3,0,0]=4 599 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,0,0,0,0,0|3,0,0]=4 600 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,0,0,0,0,0|3,0,0]=4 601 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,0,0,0,0,0|3,0,0]=4 602 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,0,0,0,0,0|3,0,0]=4 603 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,0,0,0,0|3,0,0]=4 604 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,0,0,0,0|2,0,0]=3 605 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,0,0,0,0|2,0,0]=3 606 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,0,0,0,0|2,0,0]=3 607 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,0,0]=3 608 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,0,0]=3 609 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,0,0]=3 610 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,0,0]=3 611 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,0,0]=3 612 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,0,0]=3 613 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|3,0,0]=4 614 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|2,0,1]=4 615 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|2,0,1]=4 616 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|2,0,0]=3 617 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|2,0,0]=3 618 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|1,0,0]=2 619 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|1,0,0]=2 620 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,1,0,0,0,0|1,0,1]=3 621 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,1,0,0,0,0|1,0,1]=3 622 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,1,0,0,0,0|1,0,1]=3 623 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,1,0,0,0,0|1,0,1]=3 624 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,1,0,0,0,0|1,0,1]=3 625 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,1,0,0,0,0|1,0,1]=3 626 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,1,0,0,0,0|1,0,1]=3 627 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,0,0,0,0|0,0,2]=3 628 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,0,0,0,0|0,0,2]=3 629 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,0,0,0,0|0,0,2]=3 630 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,0,0,0,0|0,0,2]=3 631 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,0,0,0,0|0,0,2]=3 632 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,1,0,0,0,0|1,0,1]=3 633 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,1,0,0,0,0|1,0,1]=3 634 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,1,0,0,0,0|1,0,1]=3 635 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,1,0,0,0,0|1,0,1]=3 636 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,1,0,0,0,0|1,0,1]=3 637 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,1,0,0,0,0|1,0,1]=3 638 B7R0.1 C#CCCCNCF 34a_100000718082_100015361967 [0,1,0,0,0,0|1,0,2]=4 639 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,1,0,0,0,0|1,0,1]=3 640 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,1,0,0,0,0|1,0,1]=3 641 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,1,0,0,0,0|1,0,1]=3 642 B7R0.1 C#CCCCOCF 34a_100000215630_100015361967 [0,1,0,0,0,0|1,0,2]=4 643 B7R0.1 C#CCCCOCF 7a_100000215630_100015361967 [0,1,0,0,0,0|1,0,2]=4 644 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,1,0,0,0,0|1,0,1]=3 645 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,1,0,0,0,0|1,0,1]=3 646 B7R0.1 C#CCCCSCF 62a_100011215417_100015361967 [0,1,0,0,0,0|1,0,2]=4 647 B7R0.1 C#CCCCSCF 62a_100015361967_100011215417 [0,1,0,0,0,0|1,0,2]=4 648 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,0,0,0,0|1,0,1]=3 649 B7R0.1 C#CCCNCCF 34a_100000724931_100000688953 [0,1,0,0,0,0|1,0,2]=4 650 B7R0.1 C#CCCNCCF 34a_100000755551_100011217306 [0,1,0,0,0,0|1,0,2]=4 651 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,1,0,0,0,0|0,0,2]=3 652 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,1,0,0,0,0|0,0,2]=3 653 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,1,0,0,0,0|0,0,2]=3 654 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [0,1,0,0,0,0|1,0,2]=4 656 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,0,0,0,0|1,0,1]=3 657 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,0,0,0,0|1,0,1]=3 658 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [0,1,0,0,0,0|1,0,2]=4 659 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,1,0,0,0,0|1,0,2]=4 660 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,1,0,0,0,0|0,0,2]=3 661 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,1,0,0,0,0|2,0,1]=4 662 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,0,0,0,0|1,0,1]=3 663 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,0,0,0,0|1,0,1]=3 664 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,1,0,0,0,0|1,0,2]=4 665 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,1,0,0,0,0|1,0,2]=4 666 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,1,0,0,0,0|0,0,2]=3 667 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,1,0,0,0,0|0,0,2]=3 668 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,1,0,0,0,0|1,0,2]=4 669 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,1,0,0,0,0|1,0,2]=4 670 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,1,0,0,0,0|2,0,1]=4 672 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,0,0,0,0|1,0,1]=3 673 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,0,0,0,0|1,0,1]=3 674 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,0,0,0,0|1,0,1]=3 675 B7R0.1 C#CCNCCCF 2230a_100015189416_100000038162 [0,1,0,0,0,0|1,0,2]=4 676 B7R0.1 C#CCNCCCF 34a_100000212058_100011934791 [0,1,0,0,0,0|1,0,2]=4 677 B7R0.1 C#CCNCCCF 34a_100015189416_100000184674 [0,1,0,0,0,0|1,0,2]=4 678 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,1,0,0,0,0|0,0,2]=3 679 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [0,1,0,0,0,0|1,0,2]=4 680 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [0,1,0,0,0,0|1,0,2]=4 681 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,1,0,0,0,0|2,0,1]=4 682 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,1,0,0,0,0|2,0,1]=4 683 B7R0.1 C#CCOCCCBr 34a_100011217188_100000184674 [0,1,0,0,0,0|1,0,2]=4 684 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,1,0,0,0,0|1,0,1]=3 685 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,1,0,0,0,0|1,0,1]=3 686 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,1,0,0,0,0|1,0,1]=3 687 B7R0.1 C#CCOCCCCl 34a_100000230001_100000184674 [0,1,0,0,0,0|1,0,2]=4 688 B7R0.1 C#CCOCCCF 34a_100000210247_100011934791 [0,1,0,0,0,0|1,0,2]=4 689 B7R0.1 C#CCOCCCF 34a_100000759539_100000184674 [0,1,0,0,0,0|1,0,2]=4 690 B7R0.1 C#CCOCCCN 34a_100000182051_100000184674 [0,1,0,0,0,0|1,0,2]=4 691 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,1,0,0,0,0|0,0,2]=3 692 B7R0.1 C#CCOCCNC 2230a_100000700922_200000210301 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.1 C#CCOCCNC 2230a_106832991635_100010402529 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.1 C#CCOCCNC 34a_100000700922_200000210301 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.1 C#CCOCCNC 34a_100102657272_100010402529 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.1 C#CCOCCNC 7a_106832991635_100010402529 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.1 C#CCOCCN[13CH3] 2230a_100000700922_200025704644 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.1 C#CCOCCN[13CH3] 34a_100000700922_200025704644 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [0,1,0,0,0,0|1,0,2]=4 700 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [0,1,0,0,0,0|1,0,2]=4 701 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [0,1,0,0,0,0|1,0,2]=4 702 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [0,1,0,0,0,0|1,0,2]=4 703 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [0,1,0,0,0,0|1,0,2]=4 704 B7R0.1 C#CCOCCON 34a_100000700252_100000184674 [0,1,0,0,0,0|1,0,2]=4 705 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [0,1,0,0,0,0|1,0,2]=4 706 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [0,1,0,0,0,0|1,0,2]=4 707 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [0,1,0,0,0,0|2,0,1]=4 709 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [0,1,0,0,0,0|2,0,1]=4 712 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,1,0,0,0,0|1,0,1]=3 715 B7R0.1 C#CCSCCCF 62a_100000038162_100011934791 [0,1,0,0,0,0|1,0,2]=4 716 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,1,0,0,0,0|0,0,2]=3 717 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,1,0,0,0,0|1,0,2]=4 718 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,1,0,0,0,0|1,0,2]=4 721 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [0,1,0,0,0,0|1,0,2]=4 722 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [0,1,0,0,0,0|1,0,2]=4 723 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,1,0,0,0,0|0,0,2]=3 724 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [0,1,0,0,0,0|1,0,2]=4 725 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,0,0,0,0|1,0,2]=4 726 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,0,0,0,0|1,0,2]=4 727 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [0,1,0,0,0,0|1,0,2]=4 728 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,1,0,0,0,0|1,0,2]=4 729 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,1,0,0,0,0|0,0,2]=3 730 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,0,0,0,0|1,0,2]=4 731 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,0,0,0,0|1,0,2]=4 732 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,1,0,0,0,0|1,0,2]=4 733 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,1,0,0,0,0|1,0,2]=4 734 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,1,0,0,0,0|0,0,2]=3 735 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,1,0,0,0,0|0,0,2]=3 736 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,1,0,0,0,0|1,0,2]=4 737 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,1,0,0,0,0|1,0,2]=4 738 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,0,0,0,0|1,0,1]=3 739 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,0,0,0,0|1,0,1]=3 740 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,0,0,0,0|1,0,1]=3 741 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,0,0,0,0|1,0,1]=3 742 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,0,0,0,0|1,0,1]=3 743 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,0,0,0,0|1,0,1]=3 744 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,0,0,0,0|1,0,1]=3 745 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,0,0,0,0|0,0,2]=3 746 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,0,0,0,0|0,0,2]=3 747 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,0,0,0,0|0,0,2]=3 748 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,0,0,0,0|0,0,2]=3 749 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,0,0,0,0|0,0,2]=3 750 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,0,0,0,0|1,0,1]=3 751 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,0,0,0,0|1,0,1]=3 752 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,0,0,0,0|1,0,1]=3 753 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,0,0,0,0|1,0,1]=3 754 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,0,0,0,0|1,0,1]=3 755 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,0,0,0,0|1,0,1]=3 756 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,0,0,0,0|1,0,1]=3 757 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,1,0,0,0,0|1,0,2]=4 758 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,0,0,0,0|1,0,1]=3 759 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,0,0,0,0|1,0,1]=3 760 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,0,0,0,0|1,0,1]=3 761 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,1,0,0,0,0|1,0,2]=4 762 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,1,0,0,0,0|1,0,2]=4 763 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,0,0,0,0|1,0,1]=3 764 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,0,0,0,0|1,0,1]=3 765 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,1,0,0,0,0|1,0,2]=4 766 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,1,0,0,0,0|1,0,2]=4 767 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,0,0,0,0|1,0,1]=3 768 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,0,0,0,0|1,0,2]=4 769 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,0,0,0,0|1,0,2]=4 770 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,0,0,0,0|0,0,2]=3 771 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,0,0,0,0|0,0,2]=3 772 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,0,0,0,0|0,0,2]=3 773 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,0,0,0,0|1,0,2]=4 774 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,0,0,0,0|2,0,1]=4 775 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,0,0,0,0|1,0,2]=4 776 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,0,0,0,0|1,0,1]=3 777 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,0,0,0,0|1,0,1]=3 778 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,0,0,0,0|1,0,2]=4 779 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,0,0,0,0|1,0,2]=4 780 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,0,0,0,0|0,0,2]=3 781 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,0,0,0,0|2,0,1]=4 782 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|1,0,1]=3 783 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|1,0,1]=3 784 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,0,0,0,0|1,0,2]=4 785 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,0,0,0,0|1,0,2]=4 786 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,0,0,0,0|0,0,2]=3 787 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,0,0,0,0|0,0,2]=3 788 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,1,0,0,0,0|1,0,2]=4 789 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,1,0,0,0,0|1,0,2]=4 790 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,1,0,0,0,0|2,0,1]=4 791 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,1,0,0,0,0|2,0,1]=4 792 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,0,0,0,0|1,0,1]=3 793 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,0,0,0,0|1,0,1]=3 794 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,0,0,0,0|1,0,1]=3 795 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,0,0,0,0|1,0,2]=4 796 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,0,0,0,0|1,0,2]=4 797 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,0,0,0,0|1,0,2]=4 798 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,0,0,0,0|0,0,2]=3 799 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,0,0,0,0|1,0,2]=4 800 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,0,0,0,0|1,0,2]=4 801 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,0,0,0,0|2,0,1]=4 802 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,1,0,0,0,0|1,0,2]=4 804 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,0,0,0,0|1,0,1]=3 805 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,0,0,0,0|1,0,1]=3 806 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,0,0,0,0|1,0,1]=3 807 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,0,0,0,0|1,0,2]=4 808 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,1,0,0,0,0|1,0,2]=4 809 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,1,0,0,0,0|1,0,2]=4 810 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,0,0,0,0|1,0,2]=4 811 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,0,0,0,0|0,0,2]=3 812 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,0,0,0,0|1,0,2]=4 813 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,0,0,0,0|1,0,2]=4 814 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,0,0,0,0|1,0,2]=4 815 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,0,0,0,0|1,0,2]=4 816 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,1,0,0,0,0|1,0,2]=4 817 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,0,0,0,0|1,0,2]=4 818 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,0,0,0,0|1,0,2]=4 819 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,0,0,0,0|2,0,1]=4 821 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,0,0,0,0|2,0,1]=4 822 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,0,0,0,0|1,0,1]=3 823 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,0,0,0,0|1,0,1]=3 824 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,1,0,0,0,0|1,0,2]=4 825 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,1,0,0,0,0|1,0,2]=4 826 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,0,0,0,0|0,0,2]=3 827 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,0,0,0,0|0,0,2]=3 828 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,1,0,0,0,0|1,0,2]=4 829 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,1,0,0,0,0|1,0,2]=4 830 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,1,0,0,0,0|2,0,1]=4 831 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,1,0,0,0,0|2,0,1]=4 832 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,1,0,0,0,0|2,0,1]=4 833 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,1,0,0,0,0|2,0,1]=4 840 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,1,0,0,0,0|2,0,1]=4 841 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,1,0,0,0,0|2,0,1]=4 842 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,1,0,0,0,0|2,0,1]=4 843 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,1,0,0,0,0|1,0,2]=4 844 B7R0.1 CC#CCCOCF 34a_100000750427_100015361967 [0,1,0,0,0,0|1,0,2]=4 845 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,1,0,0,0,0|1,0,2]=4 846 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,1,0,0,0,0|1,0,2]=4 847 B7R0.1 CC#CCNCCF 2230a_100000685387_100011217306 [0,1,0,0,0,0|1,0,2]=4 848 B7R0.1 CC#CCNCCF 34a_100000685387_100011217306 [0,1,0,0,0,0|1,0,2]=4 849 B7R0.1 CC#CCNCCF 34a_100000724931_100000748600 [0,1,0,0,0,0|1,0,2]=4 850 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [0,1,0,0,0,0|0,0,2]=3 851 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [0,1,0,0,0,0|0,0,2]=3 852 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [0,1,0,0,0,0|0,0,2]=3 853 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [0,1,0,0,0,0|0,0,2]=3 854 B7R0.1 CC#CCNCOC 2230a_100000685387_100000766300 [0,1,0,0,0,0|1,0,2]=4 855 B7R0.1 CC#CCOCCBr 34a_100000211926_100000748600 [0,1,0,0,0,0|1,0,2]=4 856 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,1,0,0,0,0|1,0,2]=4 857 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,1,0,0,0,0|1,0,2]=4 858 B7R0.1 CC#CCOCCF 34a_100000761923_100011217306 [0,1,0,0,0,0|1,0,2]=4 859 B7R0.1 CC#CCOCCN 34a_100000210304_100000748600 [0,1,0,0,0,0|1,0,2]=4 860 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [0,1,0,0,0,0|0,0,2]=3 861 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,1,0,0,0,0|1,0,2]=4 862 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,1,0,0,0,0|1,0,2]=4 863 B7R0.1 CC#CCSCCF 62a_100000748600_100011217306 [0,1,0,0,0,0|1,0,2]=4 864 B7R0.1 CC#CCSCCF 62a_100011217306_100000748600 [0,1,0,0,0,0|1,0,2]=4 865 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,1,0,0,0,0|0,0,2]=3 866 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,1,0,0,0,0|0,0,2]=3 867 B7R0.1 CC#CCSCOC 62a_100000748600_100000766300 [0,1,0,0,0,0|1,0,2]=4 868 B7R0.1 CC#CCSCOC 62a_100000766300_100000748600 [0,1,0,0,0,0|1,0,2]=4 869 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,1,0,0,0,0|1,0,2]=4 870 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,1,0,0,0,0|1,0,2]=4 871 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,1,0,0,0,0|1,0,2]=4 872 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,0,0,0,0|0,0,2]=3 873 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,0,0,0,0|0,0,2]=3 874 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,0,0,0,0|0,0,2]=3 875 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,0,0,0,0|0,0,2]=3 876 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,0,0,0,0|0,0,2]=3 877 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,1,0,0,0,0|0,1,2]=4 878 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,1,0,0,0,0|0,1,2]=4 879 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,1,0,0,0,0|0,1,2]=4 880 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,1,0,0,0,0|0,1,2]=4 881 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,1,0,0,0,0|1,0,2]=4 882 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,1,0,0,0,0|1,0,2]=4 883 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,1,0,0,0,0|1,0,2]=4 884 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [0,1,0,0,0,0|1,0,2]=4 885 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,1,0,0,0,0|1,0,2]=4 886 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,1,0,0,0,0|1,0,2]=4 887 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [0,1,0,0,0,0|1,0,2]=4 888 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [0,1,0,0,0,0|1,0,2]=4 889 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,1,0,0,0,0|0,0,3]=4 890 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,1,0,0,0,0|0,0,3]=4 891 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,0,0,0,0|0,0,2]=3 892 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,0,0,0,0|0,0,2]=3 893 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [0,1,0,0,0,0|1,0,2]=4 894 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,1,0,0,0,0|0,0,2]=3 895 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,1,0,0,0,0|0,0,2]=3 896 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [0,1,0,0,0,0|1,0,2]=4 897 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,0,0,0,0|1,0,2]=4 898 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,1,0,0,0,0|1,0,2]=4 899 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,0,0,0,0|1,0,2]=4 900 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,0,0,0,0|1,0,2]=4 901 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,1,0,0,0,0|1,0,2]=4 902 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,1,0,0,0,0|1,0,2]=4 903 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,1,0,0,0,0|0,0,2]=3 904 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,1,0,0,0,0|0,0,2]=3 905 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,1,0,0,0,0|1,0,2]=4 906 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,1,0,0,0,0|1,0,2]=4 907 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,1,0,0,0,0|2,0,1]=4 908 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,1,0,0,0,0|0,0,2]=3 909 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,1,0,0,0,0|0,0,2]=3 910 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,1,0,0,0,0|0,0,2]=3 911 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,1,0,0,0,0|0,0,2]=3 912 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [0,1,0,0,0,0|1,0,2]=4 913 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [0,1,0,0,0,0|1,0,2]=4 914 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [0,1,0,0,0,0|1,0,2]=4 915 B7R0.1 CCC#CCOCF 34a_100000032950_100015361967 [0,1,0,0,0,0|1,0,2]=4 916 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [0,1,0,0,0,0|1,0,2]=4 917 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [0,1,0,0,0,0|1,0,2]=4 918 B7R0.1 CCC#CCSCF 62a_100009813939_100015361967 [0,1,0,0,0,0|1,0,2]=4 919 B7R0.1 CCC#CCSCF 62a_100015361967_100009813939 [0,1,0,0,0,0|1,0,2]=4 920 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,0,0,0,0|0,0,2]=3 921 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,0,0,0,0|0,0,2]=3 922 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,0,0,0,0|0,0,2]=3 923 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,0,0,0,0|0,0,2]=3 924 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,1,0,0,0,0|1,0,1]=3 926 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,1,0,0,0,0|0,0,2]=3 927 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,1,0,0,0,0|0,0,2]=3 928 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,1,0,0,0,0|0,0,2]=3 929 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,1,0,0,0,0|0,0,2]=3 930 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,0,0,0,0|1,0,0]=2 932 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,0,0,0,0|1,0,0]=2 933 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,0,0,0,0|1,0,0]=2 934 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,0,0,0,0|1,0,0]=2 935 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,0,0,0,0|1,0,0]=2 936 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,0,0,0,0|0,0,0]=1 937 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,0,0,0,0|0,0,0]=1 938 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,0,0,0,0|0,0,0]=1 939 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,0,0,0,0|0,0,0]=1 940 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,0,0,0,0|0,0,0]=1 941 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,0,0,0,0|0,1,0]=2 942 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,0,0,0,0|0,1,0]=2 943 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,0,0,0,0|0,1,0]=2 944 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,0,0,0,0|0,1,0]=2 945 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,0,0,0,0|1,0,0]=2 946 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,0,0,0,0|1,0,0]=2 947 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,0,0,0,0|1,0,0]=2 948 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,0,0,0,0|1,0,0]=2 949 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,0,0,0,0|1,0,0]=2 950 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,0,0,0,0|1,0,0]=2 951 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,0,0,0,0|1,0,0]=2 952 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,0,0,0,0|1,0,0]=2 953 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,0,0,0,0|1,0,0]=2 954 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,0,0,0,0|1,0,0]=2 955 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,0,0,0,0|1,0,0]=2 956 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,0,0,0,0|1,0,1]=3 957 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,0,0,0,0|1,0,1]=3 958 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,0,0,0,0|0,0,2]=3 959 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,0,0,0,0|0,0,2]=3 960 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,0,0,0,0|1,0,0]=2 961 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,0,0,0,0|1,0,0]=2 962 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,0,0,0,0|1,0,0]=2 963 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,0,0,0,0|1,0,0]=2 964 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,0,0,0,0|1,0,0]=2 965 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,0,0,0,0|0,0,0]=1 966 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,0,0,0,0|0,0,0]=1 967 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,0,0,0,0|0,0,0]=1 968 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,0,0,0,0|0,0,0]=1 969 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,0,0,0,0|1,0,0]=2 970 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,0,0,0,0|1,1,0]=3 971 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,1,0,0,0,0|1,0,1]=3 972 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,0,0,0,0|0,0,2]=3 973 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,0,0,0,0|0,0,2]=3 974 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,0,0,0,0|1,0,0]=2 975 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,0,0,0,0|1,0,0]=2 976 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,0,0,0,0|1,0,0]=2 977 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,0,0,0,0|1,0,0]=2 978 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,0,0,0,0|1,0,0]=2 979 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,0,0,0,0|1,0,0]=2 980 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,0,0,0,0|1,0,0]=2 981 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,0,0,0,0|0,0,0]=1 982 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,0,0,0,0|0,0,0]=1 983 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,0,0,0,0|2,0,0]=3 984 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,0,0,0,0|2,0,0]=3 985 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,0,0,0,0|1,0,0]=2 986 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,0,0,0,0|1,1,0]=3 987 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,0,0,0,0|1,1,0]=3 988 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,0,0,0,0|1,1,0]=3 989 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,0,0,0,0|1,1,0]=3 990 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,0,0,0,0|1,1,0]=3 991 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,1,0,0,0,0|1,0,1]=3 992 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,1,0,0,0,0|1,0,1]=3 993 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,0,0,0,0|0,0,2]=3 994 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,0,0,0,0|0,0,2]=3 995 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,0,0,0,0|1,0,0]=2 996 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,0,0,0,0|1,0,0]=2 997 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,0,0,0,0|1,0,0]=2 998 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,0,0,0,0|1,0,0]=2 999 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,0,0,0,0|0,0,0]=1 1000 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,0,0,0,0|0,0,0]=1 1001 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,0,0,0,0|1,0,0]=2 1002 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,0,0,0,0|1,0,0]=2 1003 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,1,0,0,0,0|1,1,0]=3 1004 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,1,0,0,0,0|1,1,0]=3 1005 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,0,0,0,0|1,0,0]=2 1006 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,0,0,0,0|1,0,0]=2 1007 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,0,0,0,0|1,0,0]=2 1008 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,0,0,0,0|1,1,0]=3 1009 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,0,0,0,0|1,0,0]=2 1010 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,0,0,0,0|1,0,0]=2 1011 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,0,0,0,0|1,0,0]=2 1012 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,0,0,0,0|1,0,0]=2 1013 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,0,0,0,0|1,0,0]=2 1014 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,0,0,0,0|0,0,0]=1 1015 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,0,0,0,0|2,0,0]=3 1016 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,0,0,0,0|2,0,0]=3 1017 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,0,0,0,0|2,0,0]=3 1018 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,0,0,0,0|2,0,0]=3 1019 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,0,0,0,0|2,0,0]=3 1020 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,0,0,0,0|2,0,0]=3 1021 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,0,0,0,0|2,0,0]=3 1022 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,0,0,0,0|1,0,0]=2 1023 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,0,0,0,0|1,0,0]=2 1024 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,0,0,0,0|1,0,0]=2 1025 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,0,0,0,0|1,0,0]=2 1026 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,0,0,0,0|1,0,0]=2 1027 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,0,0,0,0|1,0,0]=2 1028 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,0,0,0,0|1,0,0]=2 1029 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,0,0,0,0|1,0,0]=2 1030 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,0,0,0,0|1,1,0]=3 1031 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,0,0,0,0|1,1,0]=3 1032 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,0,0,0,0|1,1,0]=3 1033 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,0,0,0,0|1,1,0]=3 1034 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,0,0,0,0|1,1,0]=3 1035 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,0,0,0,0|1,1,0]=3 1036 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,0,0,0,0|1,1,0]=3 1037 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,0,0,0,0|1,0,1]=3 1038 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,0,0,0,0|1,0,1]=3 1039 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,0,0,0,0|1,0,0]=2 1040 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,0,0,0,0|1,0,0]=2 1041 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,0,0,0,0|0,0,0]=1 1042 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,0,0,0,0|0,0,0]=1 1043 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,0,0,0,0|2,0,0]=3 1044 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,0,0,0,0|2,0,0]=3 1045 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,0,0,0,0|1,0,0]=2 1046 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,0,0,0,0|1,0,0]=2 1047 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,0,0,0,0|1,0,0]=2 1048 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,0,0,0,0|1,0,0]=2 1049 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,0,0,0,0|1,0,0]=2 1050 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,0,0,0,0|1,0,0]=2 1051 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,0,0,0,0|1,1,0]=3 1052 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,0,0,0,0|1,1,0]=3 1053 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,0,0,0,0|2,0,0]=3 1054 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,0,0,0,0|2,0,0]=3 1055 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,1,0,0,0,0|2,0,1]=4 1056 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,1,0,0,0,0|2,0,1]=4 1057 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [0,1,0,0,0,0|0,0,2]=3 1058 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,1,0,0,0,0|1,0,1]=3 1059 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,0,0,0,0|0,0,2]=3 1060 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,0,0,0,0|1,0,0]=2 1061 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,0,0,0,0|0,0,0]=1 1062 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,0,0,0,0|0,0,0]=1 1063 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,0,0,0,0|0,0,0]=1 1064 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,0,0,0,0|1,0,0]=2 1065 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,0,0,0,0|1,0,0]=2 1066 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,1,0,0,0,0|1,1,0]=3 1067 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,1,0,0,0,0|2,0,0]=3 1068 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,1,0,0,0,0|2,0,0]=3 1069 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,1,0,0,0,0|2,0,0]=3 1070 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,1,0,0,0,0|2,0,0]=3 1071 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,1,0,0,0,0|2,0,0]=3 1072 B7R0.1 CCOCC#CCCl 34a_200000047223_100000210202 [0,1,0,0,0,0|1,0,2]=4 1073 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [0,1,0,0,0,0|0,0,2]=3 1074 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,0,0,0,0|1,0,0]=2 1075 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,0,0,0,0|1,0,0]=2 1076 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,0,0,0,0|1,0,0]=2 1077 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,0,0,0,0|1,0,0]=2 1078 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,0,0,0,0|1,0,0]=2 1079 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,0,0,0,0|1,0,0]=2 1080 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,0,0,0,0|1,0,0]=2 1082 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,0,0,0,0|0,0,0]=1 1083 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,0,0,0,0|2,0,0]=3 1084 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,0,0,0,0|2,0,0]=3 1085 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,0,0,0,0|2,0,0]=3 1086 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,0,0,0,0|2,0,0]=3 1087 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,0,0,0,0|2,0,0]=3 1088 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,0,0,0,0|2,0,0]=3 1089 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,0,0,0,0|2,0,0]=3 1090 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,0,0,0,0|2,0,0]=3 1091 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,0,0,0,0|1,0,0]=2 1092 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,0,0,0,0|1,0,0]=2 1093 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,0,0,0,0|1,0,0]=2 1094 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,0,0,0,0|1,0,0]=2 1095 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,0,0,0,0|1,0,0]=2 1096 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,0,0,0,0|1,0,0]=2 1097 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,0,0,0,0|1,0,0]=2 1098 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,0,0,0,0|1,1,0]=3 1099 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,0,0,0,0|1,1,0]=3 1100 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,0,0,0,0|1,1,0]=3 1101 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,0,0,0,0|1,1,0]=3 1102 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,0,0,0,0|1,1,0]=3 1103 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,0,0,0,0|1,1,0]=3 1104 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,1,0,0,0,0|2,0,0]=3 1105 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,1,0,0,0,0|2,0,0]=3 1106 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,1,0,0,0,0|2,0,0]=3 1107 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,1,0,0,0,0|2,0,0]=3 1108 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,1,0,0,0,0|2,0,0]=3 1109 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,1,0,0,0,0|2,0,0]=3 1110 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,1,0,0,0,0|2,0,0]=3 1111 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,1,0,0,0,0|2,0,0]=3 1112 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,1,0,0,0,0|2,0,0]=3 1113 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,1,0,0,0,0|2,0,0]=3 1114 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,1,0,0,0,0|2,0,0]=3 1115 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,1,0,0,0,0|2,0,0]=3 1116 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,1,0,0,0,0|2,0,0]=3 1117 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,1,0,0,0,0|2,0,1]=4 1118 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,1,0,0,0,0|2,0,1]=4 1119 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,1,0,0,0,0|1,0,2]=4 1120 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,1,0,0,0,0|1,0,2]=4 1121 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,0,0,0,0|2,0,0]=3 1122 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,0,0,0,0|2,0,0]=3 1123 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,0,0,0,0|1,0,0]=2 1124 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,0,0,0,0|1,0,0]=2 1125 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,1,0,0,0,0|2,0,0]=3 1126 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,1,0,0,0,0|2,0,0]=3 1127 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,1,0,0,0,0|2,1,0]=4 1128 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,1,0,0,0,0|2,1,0]=4 1129 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [0,1,0,0,0,0|0,0,2]=3 1130 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [0,1,0,0,0,0|0,0,2]=3 1131 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,1,0,0,0,0|1,0,1]=3 1132 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,1,0,0,0,0|1,0,1]=3 1133 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,0,0,0,0|0,0,2]=3 1134 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,0,0,0,0|0,0,2]=3 1135 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,0,0,0,0|1,0,0]=2 1136 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,0,0,0,0|1,0,0]=2 1137 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,0,0,0,0|0,0,0]=1 1138 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,0,0,0,0|0,0,0]=1 1139 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,0,0,0,0|1,0,0]=2 1140 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,0,0,0,0|1,0,0]=2 1141 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,0,0,0,0|1,0,0]=2 1142 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,0,0,0,0|1,0,0]=2 1143 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,0,0,0,0|1,0,0]=2 1144 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,0,0,0,0|1,0,0]=2 1145 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,1,0,0,0,0|2,0,0]=3 1146 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,1,0,0,0,0|2,0,0]=3 1147 B7R0.1 CCSCCSC#N 62a_100000034367_100000210202 [0,1,0,0,0,0|2,0,1]=4 1148 B7R0.1 CCSCCSC#N 62a_100000210202_100000034367 [0,1,0,0,0,0|2,0,1]=4 1149 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,1,0,0,0,0|2,0,0]=3 1150 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,1,0,0,0,0|2,0,0]=3 1151 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,1,0,0,0,0|2,0,0]=3 1152 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,1,0,0,0,0|2,0,0]=3 1153 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,1,0,0,0,0|1,0,1]=3 1154 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,1,0,0,0,0|1,0,1]=3 1155 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,0,0,0,0|0,0,2]=3 1156 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,0,0,0,0|0,0,2]=3 1157 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,0,0,0,0|1,0,0]=2 1158 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,0,0,0,0|1,0,0]=2 1159 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,0,0,0,0|1,0,0]=2 1160 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,0,0,0,0|0,0,0]=1 1161 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,0,0,0,0|0,0,0]=1 1162 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,0,0,0,0|0,0,0]=1 1163 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,0,0,0,0|0,0,0]=1 1164 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,0,0,0,0|0,0,0]=1 1165 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,0,0,0,0|1,0,0]=2 1166 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,0,0,0,0|1,0,0]=2 1167 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,0,0,0,0|1,0,0]=2 1168 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [0,1,0,0,0,0|3,0,0]=4 1169 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,1,0,0,0,0|2,0,0]=3 1170 B7R0.1 CNCCOCC#N 2230a_106832991635_200000047693 [0,1,0,0,0,0|2,0,1]=4 1171 B7R0.1 CNCCOCC#N 7a_106832991635_200000047693 [0,1,0,0,0,0|2,0,1]=4 1172 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,0,0,0,0|1,0,0]=2 1173 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,0,0,0,0|1,0,0]=2 1174 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,0,0,0,0|1,0,0]=2 1175 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,0,0,0,0|1,0,0]=2 1176 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,0,0,0,0|1,0,0]=2 1177 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,0,0,0,0|1,0,0]=2 1178 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,0,0,0,0|2,0,0]=3 1179 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,0,0,0,0|1,0,0]=2 1180 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,0,0,0,0|1,0,0]=2 1181 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,0,0,0,0|1,0,0]=2 1182 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,0,0,0,0|1,0,0]=2 1183 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,0,0,0,0|1,0,0]=2 1184 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,0,0,0,0|1,0,0]=2 1185 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,0,0,0,0|1,0,0]=2 1186 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,0,0,0,0|1,0,0]=2 1187 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,0,0,0,0|0,0,0]=1 1188 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,0,0,0,0|1,0,0]=2 1189 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,0,0,0,0|1,0,0]=2 1190 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,0,0,0,0|1,0,0]=2 1191 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,0,0,0,0|1,0,0]=2 1192 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,0,0,0,0|1,0,0]=2 1193 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,0,0,0,0|1,0,0]=2 1194 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,0,0,0,0|1,0,0]=2 1195 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,0,0,0,0|1,0,0]=2 1196 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,0,0,0,0|1,0,0]=2 1197 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,0,0,0,0|2,0,0]=3 1198 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,0,0,0,0|2,0,0]=3 1199 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,0,0,0,0|2,0,0]=3 1200 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,0,0,0,0|2,0,0]=3 1201 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [0,1,0,0,0,0|2,0,1]=4 1202 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,0,0,0,0|1,0,2]=4 1203 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,1,0,0,0,0|2,0,0]=3 1204 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,1,0,0,0,0|2,0,0]=3 1205 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,1,0,0,0,0|1,0,0]=2 1206 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,1,0,0,0,0|1,0,0]=2 1207 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,1,0,0,0,0|1,0,0]=2 1208 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,0,0,0,0|2,0,0]=3 1209 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,0,0,0,0|2,0,0]=3 1210 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,0,0,0,0|1,0,2]=4 1211 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,0,0,0,0|2,0,0]=3 1212 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,0,0,0,0|2,0,0]=3 1213 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,0,0,0,0|2,0,0]=3 1214 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,0,0,0,0|2,0,0]=3 1215 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,0,0,0,0|2,0,0]=3 1216 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,0,0,0,0|2,0,0]=3 1217 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,0,0,0,0|2,0,0]=3 1218 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,0,0,0,0|2,0,0]=3 1219 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,0,0,0,0|2,0,0]=3 1220 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,0,0,0,0|2,0,0]=3 1221 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,0,0,0,0|2,0,0]=3 1222 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,0,0,0,0|2,0,0]=3 1223 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,0,0,0,0|1,0,0]=2 1224 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,0,0,0,0|1,0,0]=2 1225 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,0,0,0,0|2,0,0]=3 1226 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,0,0,0,0|2,0,0]=3 1227 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,0,0,0,0|2,0,0]=3 1228 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,0,0,0,0|2,0,0]=3 1229 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,0,0,0,0|2,0,0]=3 1230 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,1,0,0,0,0|2,0,1]=4 1231 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,1,0,0,0,0|2,0,1]=4 1232 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,0,0,0,0|1,0,2]=4 1233 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,0,0,0,0|1,0,2]=4 1234 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,0,0,0,0|2,0,0]=3 1235 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,0,0,0,0|2,0,0]=3 1236 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,0,0,0,0|1,0,0]=2 1237 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,0,0,0,0|1,0,0]=2 1238 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,1,0,0,0,0|2,0,0]=3 1239 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,1,0,0,0,0|2,0,0]=3 1240 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,1,0,0,0,0|2,0,0]=3 1241 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,1,0,0,0,0|2,0,0]=3 1242 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,0,0,0,0|2,0,0]=3 1243 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,1,0,0,0,0|2,0,0]=3 1244 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,1,0,0,0,0|2,0,1]=4 1245 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,1,0,0,0,0|2,0,1]=4 1246 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,1,0,0,0,0|2,0,0]=3 1247 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,1,0,0,0,0|2,0,0]=3 1248 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,1,0,0,0,0|1,0,0]=2 1249 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,1,0,0,0,0|1,0,0]=2 1250 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,1,0,0,0,0|2,0,0]=3 1251 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,1,0,0,0,0|2,0,0]=3 1252 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,1,0,0,0,0|1,0,1]=3 1253 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,1,0,0,0,0|1,0,1]=3 1254 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,0,0,0,0|0,0,2]=3 1255 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,0,0,0,0|0,0,2]=3 1256 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,0,0,0,0|1,0,0]=2 1257 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,0,0,0,0|1,0,0]=2 1258 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,0,0,0,0|0,0,0]=1 1259 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,0,0,0,0|0,0,0]=1 1260 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,0,0,0,0|1,0,0]=2 1261 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,0,0,0,0|1,0,0]=2 1262 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,1,0,0,0,0|2,0,0]=3 1263 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,1,0,0,0,0|2,0,0]=3 1264 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,1,0,0,0,0|2,0,1]=4 1265 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,0,0,0,0|1,0,2]=4 1266 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,0,0,0,0|2,0,0]=3 1268 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,0,0,0,0|1,0,0]=2 1269 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,0,0,0,0|1,0,0]=2 1270 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,0,0,0,0|1,0,0]=2 1271 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,1,0,0,0,0|2,1,0]=4 1272 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [0,1,0,0,0,0|2,0,1]=4 1273 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [0,1,0,0,0,0|2,0,1]=4 1274 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [0,1,0,0,0,0|2,0,1]=4 1275 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,0,0,0,0|1,0,2]=4 1276 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,0,0,0,0|1,0,2]=4 1277 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,0,0,0,0|2,0,0]=3 1278 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,0,0,0,0|2,0,0]=3 1279 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,0,0,0,0|2,0,0]=3 1280 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,0,0,0,0|2,0,0]=3 1281 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,0,0,0,0|1,0,0]=2 1282 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,0,0,0,0|1,0,0]=2 1283 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,0,0,0,0|1,0,0]=2 1284 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,0,0,0,0|1,0,0]=2 1285 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,1,0,0,0,0|2,1,0]=4 1286 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,1,0,0,0,0|2,0,1]=4 1287 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,1,0,0,0,0|2,0,1]=4 1288 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,1,0,0,0,0|1,0,2]=4 1289 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,1,0,0,0,0|1,0,2]=4 1290 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,0,0,0,0|2,0,0]=3 1291 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,0,0,0,0|2,0,0]=3 1292 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,0,0,0,0|1,0,0]=2 1293 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,0,0,0,0|1,0,0]=2 1294 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,1,0,0,0,0|2,1,0]=4 1295 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,1,0,0,0,0|2,1,0]=4 1296 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,1,0,0,0,0|2,0,0]=3 1297 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,1,0,0,0,0|2,0,0]=3 1298 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,1,0,0,0,0|2,0,0]=3 1299 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,0,0,0,0|2,0,0]=3 1300 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,1,0,0,0,0|2,0,0]=3 1301 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,1,0,0,0,0|2,0,0]=3 1302 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,0,0,0,0|2,0,0]=3 1303 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,1,0,0,0,0|2,0,1]=4 1304 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,1,0,0,0,0|2,0,1]=4 1305 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,1,0,0,0,0|2,0,0]=3 1306 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,1,0,0,0,0|2,0,0]=3 1307 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,1,0,0,0,0|1,0,0]=2 1308 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,1,0,0,0,0|1,0,0]=2 1309 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,0,0,0,0|2,0,0]=3 1310 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,0,0,0,0|2,0,0]=3 1311 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,0,0,0,0|2,0,0]=3 1312 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,0,0,0,0|2,0,0]=3 1313 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,1,0,0,0,0|2,0,0]=3 1314 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,1,0,0,0,0|2,0,0]=3 1315 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,1,0,0,0,0|2,0,0]=3 1316 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,1,0,0,0,0|2,0,0]=3 1317 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,1,0,0,0,0|2,0,0]=3 1318 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,1,0,0,0,0|2,0,0]=3 1319 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,1,0,0,0,0|2,0,0]=3 1320 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,1,0,0,0,0|2,0,0]=3 1321 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,1,0,0,0,0|2,0,0]=3 1322 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,0,0,0,0|2,0,0]=3 1323 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,0,0,0,0|2,0,0]=3 1324 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,0,0,0,0|2,0,0]=3 1325 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,0,0,0,0|2,0,0]=3 1326 B7R0.1 N#CCCCSCF 62a_100000687738_100015361967 [0,1,0,0,0,0|2,0,1]=4 1327 B7R0.1 N#CCCCSCF 62a_100015361967_100000687738 [0,1,0,0,0,0|2,0,1]=4 1328 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,1,0,0,0,0|1,0,1]=3 1329 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,1,0,0,0,0|2,0,1]=4 1330 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,1,0,0,0,0|2,0,1]=4 1331 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,1,0,0,0,0|1,0,1]=3 1332 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,1,0,0,0,0|1,0,1]=3 1333 B7R0.1 N#CCNCCCF 2230a_100015189416_100011215382 [0,1,0,0,0,0|2,0,1]=4 1334 B7R0.1 N#CCSCCCF 62a_100011215382_100011934791 [0,1,0,0,0,0|2,0,1]=4 1335 B7R0.1 N#CCSCCCF 62a_100011934791_100011215382 [0,1,0,0,0,0|2,0,1]=4 1336 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,1,0,0,0,0|1,0,1]=3 1337 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,1,0,0,0,0|1,0,1]=3 1338 B7R0.1 N#CSCSCCO 62a_100000211825_100000211926 [0,1,0,0,0,0|2,0,1]=4 1339 B7R0.1 N#CSCSCCO 62a_100000211926_100000211825 [0,1,0,0,0,0|2,0,1]=4 1340 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,0,0,0,0|2,0,0]=3 1341 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,0,0,0,0|1,0,2]=4 1342 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,1,0,0,0,0|2,0,0]=3 1343 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,1,0,0,0,0|1,0,0]=2 1344 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,1,0,0,0,0|2,0,0]=3 1345 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,1,0,0,0,0|1,0,0]=2 1346 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,0,0,0,0|2,0,1]=4 1347 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,1,0,0,0,0|2,0,0]=3 1348 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,1,0,0,0,0|2,0,0]=3 1349 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,1,0,0,0,0|1,0,2]=4 1350 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,1,0,0,0,0|1,0,2]=4 1351 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,0,0,0,0|1,0,2]=4 1352 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,0,0,0,0|1,0,2]=4 1353 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,0,0,0,0|1,0,2]=4 1354 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,0,0,0,0|1,0,2]=4 1355 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,0,0,0,0|1,0,2]=4 1356 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,1,0,0,0,0|1,0,2]=4 1357 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,1,0,0,0,0|1,0,2]=4 1358 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,0,0,0,0|1,0,1]=3 1359 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,0,0,0,0|1,0,1]=3 1360 B7R0.1 OCC#CCSCF 62a_100015361967_200000047223 [0,1,0,0,0,0|1,0,2]=4 1361 B7R0.1 OCC#CCSCF 62a_200000047223_100015361967 [0,1,0,0,0,0|1,0,2]=4 1362 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,0,0,0,0|1,0,0]=2 1363 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,0,0,0,0|1,0,0]=2 1364 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,0,0,0,0|1,0,0]=2 1365 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,1,0,0,0,0|1,0,0]=2 1366 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,1,0,0,0,0|1,0,0]=2 1367 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,1,0,0,0,0|1,0,0]=2 1368 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,1,0,0,0,0|1,0,0]=2 1369 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,1,0,0,0,0|1,0,0]=2 1370 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,1,0,0,0,0|1,0,0]=2 1371 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,1,0,0,0,0|1,0,0]=2 1372 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,1,0,0,0,0|1,0,0]=2 1373 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,1,0,0,0,0|1,0,0]=2 1374 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,1,0,0,0,0|1,0,0]=2 1375 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,1,0,0,0,0|1,0,0]=2 1376 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,1,0,0,0,0|1,0,0]=2 1377 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,1,0,0,0,0|1,0,0]=2 1378 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,1,0,0,0,0|1,0,0]=2 1379 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,1,0,0,0,0|1,0,0]=2 1380 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,1,0,0,0,0|1,0,0]=2 1381 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,1,0,0,0,0|1,0,0]=2 1382 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,0,0,0,0|0,0,0]=1 1383 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,0,0,0,0|0,0,0]=1 1384 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [0,1,0,0,0,0|3,0,0]=4 1385 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,0,0,0,0|1,0,0]=2 1386 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,0,0,0,0|1,0,0]=2 1387 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,0,0,0,0|1,0,0]=2 1388 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,0,0,0,0|1,0,0]=2 1389 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,0,0,0,0|1,0,0]=2 1390 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,0,0,0,0|1,0,0]=2 1391 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,0,0,0,0|1,0,0]=2 1392 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,0,0,0,0|1,0,0]=2 1393 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,0,0,0,0|1,0,0]=2 1394 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,0,0,0,0|1,0,0]=2 1395 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,0,0,0,0|2,0,0]=3 1396 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,0,0,0,0|2,0,0]=3 1397 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,0,0,0,0|2,0,0]=3 1398 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,0,0,0,0|2,0,0]=3 1399 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,0,0,0,0|2,0,0]=3 1400 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,0,0,0,0|2,0,0]=3 1401 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,0,0,0,0|2,0,0]=3 1402 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,0,0,0,0|2,0,0]=3 1403 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,0,0,0,0|2,0,0]=3 1404 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,1,0,0,0,0|1,0,1]=3 1405 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,1,0,0,0,0|1,0,1]=3 1406 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,0,0,0,0|0,0,2]=3 1407 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,0,0,0,0|0,0,2]=3 1408 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,0,0,0,0|1,0,0]=2 1409 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,0,0,0,0|1,0,0]=2 1410 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,0,0,0,0|0,0,0]=1 1411 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,0,0,0,0|0,0,0]=1 1412 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [0,1,0,0,0,0|2,0,1]=4 1413 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [0,1,0,0,0,0|2,0,1]=4 1414 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,0,0,0,0|1,0,0]=2 1415 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,0,0,0,0|1,0,0]=2 1416 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|1,0,2]=4 1417 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|0,0,3]=4 1418 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,1,0,0,0,0|2,0,1]=4 1419 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,1,0,0,0,0|2,0,1]=4 1420 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [0,1,0,0,0,0|1,0,2]=4 1421 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [0,1,0,0,0,0|1,0,2]=4 1422 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [0,1,0,0,0,0|1,0,2]=4 1423 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,1,0,0,0,0|2,0,1]=4 1424 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,1,0,0,0,0|2,0,1]=4 1425 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [0,1,0,0,0,0|1,0,2]=4 1426 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|1,0,2]=4 1427 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|1,0,2]=4 1428 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,0,0,0,0|0,0,3]=4 1429 B7R0.3 C#CCCN(C)CC 2230a_100000225621_100000688953 [0,1,0,0,0,0|2,0,1]=4 1430 B7R0.3 C#CCCN(C)CC 269982a_100000225621_100000730999 [0,1,0,0,0,0|2,0,1]=4 1431 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,1,0,0,0,0|2,0,1]=4 1432 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,1,0,0,0,0|2,0,1]=4 1433 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,1,0,0,0,0|1,0,2]=4 1434 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,1,0,0,0,0|1,0,2]=4 1435 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,0,0,0,0|2,0,1]=4 1436 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,0,0,0,0|2,0,1]=4 1437 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,1,0,0,0,0|1,0,2]=4 1438 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,1,0,0,0,0|2,0,1]=4 1439 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [0,1,0,0,0,0|1,0,2]=4 1440 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,1,0,0,0,0|2,0,1]=4 1441 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,1,0,0,0,0|2,0,1]=4 1442 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,1,0,0,0,0|1,0,2]=4 1443 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,1,0,0,0,0|1,0,2]=4 1444 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,0,0,0,0|0,0,3]=4 1445 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|1,0,2]=4 1446 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|0,0,3]=4 1447 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,0,0,0,0|2,0,1]=4 1448 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,0,0,0,0|2,0,1]=4 1449 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,0,0,0,0|2,0,1]=4 1450 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,0,0,0,0|1,0,2]=4 1451 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|2,0,1]=4 1452 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,1,0,0,0,0|1,0,2]=4 1453 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,0,0,0,0|2,0,1]=4 1454 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,0,0,0,0|2,0,1]=4 1455 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,0,0,0,0|2,0,1]=4 1456 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,0,0,0,0|2,0,1]=4 1457 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|1,0,2]=4 1458 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|1,0,2]=4 1459 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|0,0,3]=4 1460 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,0,0,0,0|2,0,1]=4 1461 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 1462 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 1463 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 1464 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 1465 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,1,0,0,0,0|2,0,1]=4 1466 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,1,0,0,0,0|2,0,1]=4 1467 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,1,0,0,0,0|2,0,1]=4 1468 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,1,0,0,0,0|2,0,1]=4 1469 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|2,0,1]=4 1470 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|2,0,1]=4 1471 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,1,0,0,0,0|1,0,2]=4 1472 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,1,0,0,0,0|1,0,2]=4 1473 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|2,0,1]=4 1474 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|2,0,1]=4 1475 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,1,0,0,0,0|1,0,2]=4 1476 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|2,0,1]=4 1477 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|2,0,1]=4 1478 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,1,0,0,0,0|1,0,2]=4 1479 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,1,0,0,0,0|1,0,2]=4 1480 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,1,0,0,0,0|1,0,2]=4 1481 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,0,0,0,0|2,0,1]=4 1482 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,0,0,0,0|0,0,3]=4 1483 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [0,1,0,0,0,0|2,0,1]=4 1484 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [0,1,0,0,0,0|2,0,1]=4 1485 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,1,0,0,0,0|2,0,1]=4 1486 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [0,1,0,0,0,0|2,0,1]=4 1487 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [0,1,0,0,0,0|2,0,1]=4 1488 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|2,0,0]=3 1489 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|2,0,0]=3 1490 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,0,0,0,0|3,0,0]=4 1491 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,0,0,0,0|3,0,0]=4 1492 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,0,0,0,0|2,0,0]=3 1493 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,0,0,0,0|2,0,0]=3 1494 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,1,0,0,0,0|3,0,0]=4 1495 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|3,0,0]=4 1496 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|2,0,0]=3 1497 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,0,0,0,0|1,0,0]=2 1498 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|1,0,0]=2 1499 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,1,0,0,0,0|2,0,0]=3 1500 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,1,0,0,0,0|2,0,0]=3 1501 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,1,0,0,0,0|2,0,0]=3 1502 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,1,0,0,0,0|2,0,0]=3 1503 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,0,0,0,0|2,0,0]=3 1504 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,0,0,0,0|2,0,0]=3 1505 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [0,1,0,0,0,0|2,0,1]=4 1506 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|2,0,1]=4 1507 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,1,0,0,0,0|2,0,0]=3 1508 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,1,0,0,0,0|2,0,0]=3 1509 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,0,0,0,0|0,0,3]=4 1510 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,0,0,0,0|0,0,3]=4 1511 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|1,0,2]=4 1512 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|1,0,2]=4 1513 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|1,0,1]=3 1514 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|0,0,1]=2 1515 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|2,0,1]=4 1516 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|2,0,1]=4 1517 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|2,0,1]=4 1518 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|2,0,1]=4 1519 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|2,0,1]=4 1520 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|2,0,1]=4 1521 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|2,0,1]=4 1522 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 1523 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 1524 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 1525 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|2,0,1]=4 1526 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,1]=3 1527 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,1]=3 1528 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|2,0,0]=3 1529 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|2,0,0]=3 1530 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|2,0,0]=3 1531 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|2,0,0]=3 1532 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,0,0,0,0|2,0,0]=3 1533 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,0,0,0,0|2,0,0]=3 1534 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,1,0,0,0,0|2,0,1]=4 1535 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|1,0,2]=4 1536 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|2,0,0]=3 1537 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|2,0,0]=3 1538 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|1,0,0]=2 1539 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|1,0,0]=2 1540 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|1,0,0]=2 1541 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|3,0,0]=4 1542 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|3,0,0]=4 1543 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,0,0,0,0|2,0,1]=4 1544 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|1,0,2]=4 1545 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|2,0,0]=3 1546 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|2,0,0]=3 1547 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|2,0,0]=3 1548 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|1,0,0]=2 1549 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,1,0,0,0,0|2,0,1]=4 1550 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,1,0,0,0,0|2,0,1]=4 1551 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|1,0,2]=4 1552 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|1,0,2]=4 1553 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|2,0,0]=3 1554 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|2,0,0]=3 1555 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|1,0,0]=2 1556 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|1,0,0]=2 1557 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,0,0,0,0|3,0,0]=4 1558 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,0,0,0,0|3,0,0]=4 1559 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|3,0,0]=4 1560 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|3,0,0]=4 1561 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,1,0,0,0,0|2,0,0]=3 1562 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,1,0,0,0,0|2,0,0]=3 1563 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|1,0,1]=3 1564 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|1,0,1]=3 1565 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|1,0,1]=3 1566 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|0,0,1]=2 1567 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|2,0,1]=4 1568 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 1569 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 1570 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|2,0,1]=4 1571 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|2,0,0]=3 1572 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|2,0,0]=3 1573 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|2,0,0]=3 1574 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|2,0,0]=3 1575 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|2,0,0]=3 1576 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|2,0,0]=3 1577 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|2,0,0]=3 1578 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|2,0,0]=3 1579 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|2,0,0]=3 1580 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|2,0,0]=3 1581 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|2,0,0]=3 1582 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|2,0,0]=3 1583 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|2,0,0]=3 1584 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|2,0,0]=3 1585 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|2,0,0]=3 1586 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,0,0,0,0|2,0,0]=3 1587 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,0,0,0,0|2,0,0]=3 1588 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,0,0,0,0|2,0,0]=3 1589 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,0,0,0,0|2,0,0]=3 1590 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,0,0,0,0|2,0,0]=3 1591 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,0,0,0,0|2,0,0]=3 1592 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,1,0,0,0,0|2,0,0]=3 1593 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,0,0,0,0|2,0,0]=3 1594 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,0,0,0,0|2,0,0]=3 1595 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 1596 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 1597 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 1598 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 1599 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|1,0,1]=3 1600 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|1,0,1]=3 1601 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,1,0,0,0,0|2,0,1]=4 1602 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|2,0,0]=3 1603 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,0,0,0,0|1,0,0]=2 1604 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,1,0,0,0,0|2,0,1]=4 1605 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|2,0,0]=3 1606 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|2,0,0]=3 1607 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,0,0,0,0|2,0,0]=3 1608 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,0,0,0,0|2,0,0]=3 1609 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,0,0,0,0|2,0,0]=3 1610 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,0,0,0,0|1,0,0]=2 1611 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,1,0,0,0,0|2,0,1]=4 1612 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,1,0,0,0,0|2,0,1]=4 1613 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|2,0,0]=3 1614 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|2,0,0]=3 1615 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,0,0,0,0|1,0,0]=2 1616 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|3,0,0]=4 1617 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|3,0,0]=4 1618 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [0,1,0,0,0,0|2,0,1]=4 1619 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [0,1,0,0,0,0|2,0,1]=4 1620 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,0,0,0,0|1,0,0]=2 1621 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,0,0,0,0|1,0,0]=2 1622 B7R0.3 CCN(C)CCC#N 2230a_100000184479_100000210202 [0,1,0,0,0,0|2,0,1]=4 1623 B7R0.3 CCN(C)CCC#N 2230a_100000225621_100011215226 [0,1,0,0,0,0|2,0,1]=4 1624 B7R0.3 CCN(C)CCC#N 2230a_100000226048_200000210301 [0,1,0,0,0,0|2,0,1]=4 1625 B7R0.3 CCN(C)CCC#N 269982a_100000225621_100011215226 [0,1,0,0,0,0|2,0,1]=4 1626 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,0,0,0,0|2,0,0]=3 1627 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,0,0,0,0|2,0,0]=3 1628 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,0,0,0,0|1,0,0]=2 1629 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,0,0,0,0|1,0,0]=2 1630 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,0,0,0,0|1,0,0]=2 1631 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,0,0,0,0|1,0,0]=2 1632 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,0,0,0,0|3,0,0]=4 1633 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,0,0,0,0|3,0,0]=4 1634 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,0,0,0,0|3,0,0]=4 1635 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,0,0,0,0|3,0,0]=4 1636 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,0,0,0,0|3,0,0]=4 1637 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,0,0,0,0|3,0,0]=4 1638 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,0,0,0,0|3,0,0]=4 1639 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1640 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,0,0,0,0|3,0,0]=4 1641 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,0,0,0,0|3,0,0]=4 1642 B7R0.3 CCN([13CH3])CCC#N 2230a_100000226048_200025704644 [0,1,0,0,0,0|2,0,1]=4 1643 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,0,0,0,0|3,0,0]=4 1644 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,0,0,0,0|3,0,0]=4 1645 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|2,0,0]=3 1646 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|2,0,0]=3 1647 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|2,0,0]=3 1648 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,0,0,0,0|1,0,0]=2 1649 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|2,0,0]=3 1650 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|2,0,0]=3 1651 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,0,0,0,0|1,0,0]=2 1652 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|2,0,0]=3 1653 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,0,0,0,0|1,0,0]=2 1654 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,0,0,0,0|3,0,0]=4 1655 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,0,0,0,0|1,0,0]=2 1656 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,1,0,0,0,0|2,0,0]=3 1657 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,0,0,0,0|1,0,0]=2 1658 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,0,0,0,0|1,0,0]=2 1659 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,1,0,0,0,0|2,0,1]=4 1660 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|2,0,1]=4 1661 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|2,0,1]=4 1662 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|2,0,1]=4 1663 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|2,0,1]=4 1664 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|2,0,0]=3 1665 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,0,0,0,0|2,0,0]=3 1666 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|3,0,0]=4 1667 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|3,0,0]=4 1668 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|3,0,0]=4 1669 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|3,0,0]=4 1670 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|3,0,0]=4 1671 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,1,0,0,0,0|2,0,0]=3 1672 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,0,0,0,0|2,0,0]=3 1673 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,0,0,0,0|1,0,0]=2 1674 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,0,0,0,0|3,0,0]=4 1675 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|2,0,0]=3 1676 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|2,0,0]=3 1677 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,0,0,0,0|1,0,0]=2 1678 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,1,0,0,0,0|2,0,0]=3 1679 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,0,0,0,0|1,0,0]=2 1680 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,1,0,0,0,0|2,0,0]=3 1681 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|2,0,1]=4 1682 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|2,0,1]=4 1683 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|2,0,1]=4 1684 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|2,0,1]=4 1685 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|2,0,0]=3 1686 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|2,0,0]=3 1687 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,1,0,0,0,0|3,0,0]=4 1688 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,0,0,0,0|2,0,0]=3 1689 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,0,0,0,0|2,0,0]=3 1690 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,1,0,0,0,0|1,0,0]=2 1691 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,1,0,0,0,0|1,0,0]=2 1692 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|2,0,0]=3 1693 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|2,0,0]=3 1694 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,0,0,0,0|1,0,0]=2 1695 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,0,0,0,0|1,0,0]=2 1696 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,1,0,0,0,0|2,0,0]=3 1697 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,1,0,0,0,0|2,0,0]=3 1698 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,1,0,0,0,0|1,0,0]=2 1699 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,1,0,0,0,0|1,0,0]=2 1700 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,0,0,0,0|2,0,0]=3 1701 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,0,0,0,0|2,0,0]=3 1702 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,0,0,0,0|2,0,0]=3 1703 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,1,0,0,0,0|2,0,0]=3 1704 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 1705 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|2,0,1]=4 1706 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 1707 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|2,0,1]=4 1708 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,0,0,0,0|3,0,0]=4 1709 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,0,0,0,0|3,0,0]=4 1710 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,0,0,0,0|1,0,0]=2 1711 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,0,0,0,0|1,0,0]=2 1712 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|2,0,0]=3 1713 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|2,0,0]=3 1714 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|3,0,0]=4 1715 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,1,0,0,0,0|3,0,0]=4 1716 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,1,0,0,0,0|3,0,0]=4 1717 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,1,0,0,0,0|3,0,0]=4 1718 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,0,0,0,0|2,0,0]=3 1719 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,0,0,0,0|2,0,0]=3 1720 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,1,0,0,0,0|2,0,1]=4 1721 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|2,0,1]=4 1722 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|1,0,1]=3 1723 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|3,0,0]=4 1724 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,1,0,0,0,0|3,0,0]=4 1725 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,1,0,0,0,0|2,0,0]=3 1726 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,1,0,0,0,0|2,0,0]=3 1727 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,1,0,0,0,0|2,0,0]=3 1728 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,1,0,0,0,0|2,0,0]=3 1729 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|2,0,1]=4 1730 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|1,0,1]=3 1731 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,1,0,0,0,0|3,0,0]=4 1732 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,0,0,0,0|2,0,0]=3 1733 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,0,0,0,0|3,0,0]=4 1734 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,0,0,0,0|3,0,0]=4 1735 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,0,0,0,0|2,0,0]=3 1736 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,0,0,0,0|2,0,0]=3 1737 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,0,0,0,0|2,0,0]=3 1738 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,1,0,0,0,0|2,0,0]=3 1739 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,1,0,0,0,0|2,0,0]=3 1740 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,1,0,0,0,0|2,0,1]=4 1741 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|2,0,1]=4 1742 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,1,0,0,0,0|2,0,0]=3 1743 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,1,0,0,0,0|2,0,0]=3 1744 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [0,1,0,0,0,0|2,0,1]=4 1745 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [0,1,0,0,0,0|2,0,1]=4 1746 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|2,0,1]=4 1747 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|2,0,1]=4 1748 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,1,0,0,0,0|2,0,0]=3 1749 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,1,0,0,0,0|2,0,0]=3 1750 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,1,0,0,0,0|2,0,0]=3 1751 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,1,0,0,0,0|2,0,0]=3 1752 B7R0.3 FCOCC(Cl)CCl 34a_100000033668_100015361967 [0,1,0,0,0,0|3,0,0]=4 1753 B7R0.3 N#CC(F)SCCO 62a_100000211926_200000117898 [0,1,0,0,0,0|2,0,1]=4 1754 B7R0.3 N#CC(F)SCCO 62a_200000117898_100000211926 [0,1,0,0,0,0|2,0,1]=4 1755 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,0,0,0,0|1,0,2]=4 1756 B7R0.3 NC[C@@H](F)COCF 34a_100015665980_100015361967 [0,1,0,0,0,0|3,0,0]=4 1757 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|1,0,1]=3 1758 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|1,0,1]=3 1759 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 1760 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 1761 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 1762 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 1763 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,1,0,0,0,0|2,0,0]=3 1764 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,1,0,0,0,0|2,0,0]=3 1765 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [0,1,0,0,0,0|2,0,0]=3 1766 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,1,0,0,0,0|2,0,0]=3 1767 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,1,0,0,0,0|2,0,0]=3 1768 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,1,0,0,0,0|3,0,0]=4 1769 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,1,0,0,0,0|3,0,0]=4 1770 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,1,0,0,0,0|2,0,1]=4 1771 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,0,0,0,0|1,0,2]=4 1772 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,0,0,0,0|1,0,2]=4 1773 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,0,0,0,0|1,0,2]=4 1774 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [0,1,0,0,0,0|2,0,1]=4 1775 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [0,1,0,0,0,0|2,0,1]=4 1776 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [0,1,0,0,0,0|2,0,1]=4 1777 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [0,1,0,0,0,0|2,0,1]=4 1778 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [0,1,0,0,0,0|2,0,1]=4 1779 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,1,0,0,0,0|2,0,1]=4 1780 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,1,0,0,0,0|2,0,1]=4 1781 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,1,0,0,0,0|2,0,1]=4 1782 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,1,0,0,0,0|2,0,1]=4 1783 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,1,0,0,0,0|2,0,1]=4 1784 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,1,0,0,0,0|2,0,1]=4 1785 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,1,0,0,0,0|2,0,1]=4 1786 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [0,1,0,0,0,0|1,0,2]=4 1787 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [0,1,0,0,0,0|1,0,2]=4 1788 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [0,1,0,0,0,0|1,0,2]=4 1789 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [0,1,0,0,0,0|1,0,2]=4 1790 B7R0.4 C#CCOCC(C)Br 34a_100012180447_100000184674 [0,1,0,0,0,0|2,0,1]=4 1791 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,1,0,0,0,0|2,0,1]=4 1792 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,1,0,0,0,0|2,0,1]=4 1793 B7R0.4 C#CCOCC(C)F 34a_100015925927_100000184674 [0,1,0,0,0,0|2,0,1]=4 1794 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [0,1,0,0,0,0|1,0,2]=4 1795 B7R0.4 C#CCOC[C@@H](C)Cl 34a_100016084084_100000184674 [0,1,0,0,0,0|2,0,1]=4 1796 B7R0.4 C#CCOC[C@@H](C)N 34a_100000737577_100000184674 [0,1,0,0,0,0|2,0,1]=4 1797 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [0,1,0,0,0,0|1,0,2]=4 1798 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,1,0,0,0,0|2,0,1]=4 1799 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [0,1,0,0,0,0|1,0,2]=4 1800 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [0,1,0,0,0,0|1,0,2]=4 1801 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,0,0,0,0|2,0,1]=4 1802 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,0,0,0,0|2,0,1]=4 1803 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,0,0,0,0|2,0,1]=4 1804 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,0,0,0,0|2,0,1]=4 1805 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,1,0,0,0,0|2,0,1]=4 1806 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,0,0,0,0|2,0,1]=4 1807 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,0,0,0,0|2,0,1]=4 1808 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,1,0,0,0,0|2,0,1]=4 1809 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,1,0,0,0,0|2,0,1]=4 1810 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,1,0,0,0,0|2,0,1]=4 1811 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,0,0,0,0|1,0,1]=3 1812 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,0,0,0,0|1,0,1]=3 1813 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,1,0,0,0,0|2,0,1]=4 1814 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,0,0,0,0|2,0,1]=4 1815 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,0,0,0,0|2,0,1]=4 1816 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,1,0,0,0,0|2,0,1]=4 1817 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,1,0,0,0,0|2,0,1]=4 1818 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,1,0,0,0,0|1,0,1]=3 1819 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,0,0,0,0|2,0,1]=4 1820 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,0,0,0,0|2,0,1]=4 1821 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,1,0,0,0,0|2,0,1]=4 1822 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,1,0,0,0,0|2,0,1]=4 1823 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,0,0,0,0|1,0,1]=3 1824 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,0,0,0,0|1,0,1]=3 1825 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,1,0,0,0,0|1,0,2]=4 1826 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,1,0,0,0,0|1,0,2]=4 1827 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,0,0,0,0|2,0,1]=4 1828 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,0,0,0,0|2,0,1]=4 1829 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,1,0,0,0,0|1,0,2]=4 1830 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,0,0,0,0|2,0,1]=4 1831 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,0,0,0,0|2,0,1]=4 1832 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,1,0,0,0,0|1,0,2]=4 1833 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,1,0,0,0,0|1,0,2]=4 1834 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,0,0,0,0|1,0,2]=4 1835 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,0,0,0,0|1,0,2]=4 1836 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,0,0,0,0|1,0,2]=4 1837 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,1,0,0,0,0|2,0,1]=4 1838 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,1,0,0,0,0|2,0,1]=4 1839 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,1,0,0,0,0|2,0,1]=4 1840 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,1,0,0,0,0|2,0,1]=4 1841 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,1,0,0,0,0|2,0,1]=4 1842 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,1,0,0,0,0|2,0,1]=4 1843 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,1,0,0,0,0|2,0,1]=4 1844 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,1,0,0,0,0|2,0,1]=4 1845 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,1,0,0,0,0|2,0,1]=4 1846 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,0,0,0,0|2,0,1]=4 1847 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,0,0,0,0|2,0,1]=4 1848 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,0,0,0,0|2,0,1]=4 1849 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,0,0,0,0|2,0,1]=4 1850 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,0,0,0,0|1,0,2]=4 1851 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,0,0,0,0|1,0,2]=4 1852 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,0,0,0,0|1,0,2]=4 1853 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,0,0,0,0|1,0,2]=4 1854 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,1,0,0,0,0|2,0,1]=4 1855 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,1,0,0,0,0|2,0,1]=4 1856 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,1,0,0,0,0|2,0,1]=4 1857 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,1,0,0,0,0|2,0,1]=4 1858 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,0,0,0,0|1,0,2]=4 1859 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,1,0,0,0,0|2,0,1]=4 1860 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,0,0,0,0|2,0,1]=4 1861 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,0,0,0,0|1,0,2]=4 1862 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,1,0,0,0,0|2,0,1]=4 1863 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,1,0,0,0,0|2,0,1]=4 1864 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,0,0,0,0|1,0,2]=4 1865 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,0,0,0,0|1,0,2]=4 1866 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,0,0,0,0|1,0,2]=4 1867 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,0,0,0,0|1,0,2]=4 1868 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,1,0,0,0,0|0,0,3]=4 1869 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,0,0,0,0|1,0,2]=4 1870 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,0,0,0,0|1,0,2]=4 1871 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,0,0,0,0|1,0,1]=3 1872 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|0,0,1]=2 1873 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|0,0,1]=2 1874 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|1,0,2]=4 1875 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|1,0,2]=4 1876 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|1,0,2]=4 1877 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|1,0,2]=4 1878 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 1879 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 1880 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,0,0,0,0|2,0,1]=4 1881 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,0,0,0,0|2,0,1]=4 1882 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,0,0,0,0|2,0,1]=4 1883 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|1,0,1]=3 1884 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|1,0,1]=3 1885 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 1886 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 1887 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 1888 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,0,0,0,0|2,0,1]=4 1889 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,0,0,0,0|1,0,1]=3 1890 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,0,0,0,0|1,0,1]=3 1891 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,1,0,0,0,0|2,0,1]=4 1892 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,1,0,0,0,0|2,0,0]=3 1893 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,0,0,0,0|1,0,2]=4 1894 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,1,0,0,0,0|2,0,0]=3 1895 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,1,0,0,0,0|1,0,0]=2 1896 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,0,0,0,0|2,0,0]=3 1897 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,0,0,0,0|2,0,0]=3 1898 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,0,0,0,0|2,0,0]=3 1899 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,0,0,0,0|2,0,0]=3 1900 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,0,0,0,0|2,0,0]=3 1901 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,0,0,0,0|2,0,0]=3 1902 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,1,0,0,0,0|2,0,0]=3 1903 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,1,0,0,0,0|2,0,0]=3 1904 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,1,0,0,0,0|2,0,0]=3 1905 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,1,0,0,0,0|2,0,0]=3 1906 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,1,0,0,0,0|2,0,1]=4 1907 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|1,0,2]=4 1908 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|1,0,2]=4 1909 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,1,0,0,0,0|2,0,0]=3 1910 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,1,0,0,0,0|2,0,0]=3 1911 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,1,0,0,0,0|2,0,0]=3 1912 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,1,0,0,0,0|1,0,0]=2 1913 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,1,0,0,0,0|1,0,0]=2 1914 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,1,0,0,0,0|1,0,0]=2 1915 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,1,0,0,0,0|1,0,0]=2 1916 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,1,0,0,0,0|1,0,0]=2 1917 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,0,0,0,0|1,0,2]=4 1918 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,1,0,0,0,0|2,0,0]=3 1919 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,1,0,0,0,0|2,0,0]=3 1920 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,1,0,0,0,0|2,0,0]=3 1921 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,1,0,0,0,0|1,0,0]=2 1922 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,1,0,0,0,0|2,0,1]=4 1923 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,1,0,0,0,0|2,0,1]=4 1924 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,0,0,0,0|1,0,2]=4 1925 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,0,0,0,0|1,0,2]=4 1926 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,1,0,0,0,0|2,0,0]=3 1927 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,1,0,0,0,0|2,0,0]=3 1928 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,1,0,0,0,0|1,0,0]=2 1929 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,1,0,0,0,0|1,0,0]=2 1930 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,1,0,0,0,0|2,0,1]=4 1931 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,1,0,0,0,0|2,0,0]=3 1932 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,1,0,0,0,0|2,0,0]=3 1933 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,1,0,0,0,0|2,0,0]=3 1934 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,1,0,0,0,0|2,0,0]=3 1935 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,1,0,0,0,0|1,0,0]=2 1936 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,1,0,0,0,0|1,0,0]=2 1937 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,1,0,0,0,0|3,0,0]=4 1938 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,1,0,0,0,0|2,0,0]=3 1939 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,1,0,0,0,0|2,0,0]=3 1940 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,1,0,0,0,0|2,0,0]=3 1941 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,1,0,0,0,0|2,0,0]=3 1942 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,1,0,0,0,0|2,0,0]=3 1943 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,1,0,0,0,0|1,0,0]=2 1944 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,1,0,0,0,0|3,0,0]=4 1945 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,1,0,0,0,0|3,0,0]=4 1946 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,1,0,0,0,0|3,0,0]=4 1947 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,1,0,0,0,0|3,0,0]=4 1948 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,1,0,0,0,0|3,0,0]=4 1949 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,1,0,0,0,0|3,0,0]=4 1950 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,1,0,0,0,0|3,0,0]=4 1951 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,1,0,0,0,0|3,0,0]=4 1952 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,1,0,0,0,0|3,0,0]=4 1953 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,1,0,0,0,0|2,0,1]=4 1954 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,1,0,0,0,0|2,0,1]=4 1955 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,1,0,0,0,0|2,0,0]=3 1956 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,1,0,0,0,0|2,0,0]=3 1957 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,1,0,0,0,0|1,0,0]=2 1958 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,1,0,0,0,0|1,0,0]=2 1959 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,1,0,0,0,0|3,0,0]=4 1960 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,1,0,0,0,0|3,0,0]=4 1961 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,1,0,0,0,0|3,0,0]=4 1962 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,1,0,0,0,0|3,0,0]=4 1963 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,1,0,0,0,0|3,0,0]=4 1964 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,1,0,0,0,0|3,0,0]=4 1965 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,0,0,0,0|1,0,2]=4 1966 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,1,0,0,0,0|2,0,0]=3 1967 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,1,0,0,0,0|1,0,0]=2 1968 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,0,0,0,0|1,0,0]=2 1969 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,0,0,0,0|1,0,0]=2 1970 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,0,0,0,0|2,0,0]=3 1971 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,0,0,0,0|2,0,0]=3 1972 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [0,1,0,0,0,0|2,0,1]=4 1973 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|1,0,2]=4 1974 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|1,0,2]=4 1975 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,0,0,0,0|2,0,0]=3 1976 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|2,0,0]=3 1977 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,0,0,0,0|2,0,0]=3 1978 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,0,0,0,0|1,0,0]=2 1979 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,0,0,0,0|1,0,0]=2 1980 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|1,0,0]=2 1981 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,0,0,0,0|1,0,0]=2 1982 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,0,0,0,0|2,0,0]=3 1983 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,0,0,0,0|2,0,0]=3 1984 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [0,1,0,0,0,0|2,0,1]=4 1985 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [0,1,0,0,0,0|2,0,1]=4 1986 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|1,0,2]=4 1987 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|1,0,2]=4 1988 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,0,0,0,0|2,0,0]=3 1989 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,0,0,0,0|2,0,0]=3 1990 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,0,0,0,0|1,0,0]=2 1991 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,0,0,0,0|1,0,0]=2 1992 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,1,0,0,0,0|2,0,1]=4 1993 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|0,0,2]=3 1994 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|0,0,2]=3 1995 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|0,0,2]=3 1996 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,0,0,0,0|2,0,0]=3 1997 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,0,0,0,0|2,0,0]=3 1998 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,0,0,0,0|2,0,0]=3 1999 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,0,0,0,0|2,0,0]=3 2000 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,0,0,0,0|2,0,0]=3 2001 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,0,0,0,0|2,0,0]=3 2002 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|1,0,2]=4 2003 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|1,0,2]=4 2004 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|1,0,2]=4 2005 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|1,0,2]=4 2006 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,1,0,0,0,0|2,0,0]=3 2007 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,1,0,0,0,0|2,0,0]=3 2008 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,1,0,0,0,0|2,0,0]=3 2009 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,1,0,0,0,0|2,0,0]=3 2010 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,1,0,0,0,0|2,0,0]=3 2011 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,1,0,0,0,0|2,0,0]=3 2012 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,1,0,0,0,0|2,0,0]=3 2013 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,1,0,0,0,0|2,0,0]=3 2014 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,1,0,0,0,0|2,0,0]=3 2015 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|1,0,2]=4 2016 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|1,0,1]=3 2017 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,0,0,0,0|2,0,0]=3 2018 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,0,0,0,0|2,0,0]=3 2019 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,0,0,0,0|2,0,0]=3 2020 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,0,0,0,0|1,0,0]=2 2021 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,0,0,0,0|1,0,0]=2 2022 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,1,0,0,0,0|2,0,0]=3 2023 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|1,0,2]=4 2024 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|1,0,2]=4 2025 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,0,0,0,0|1,0,2]=4 2026 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|1,0,2]=4 2027 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,0,0,0,0|1,0,2]=4 2028 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,0,0,0,0|2,0,0]=3 2029 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,0,0,0,0|2,0,0]=3 2030 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,0,0,0,0|2,0,0]=3 2031 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,0,0,0,0|2,0,0]=3 2032 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,0,0,0,0|1,0,0]=2 2033 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,1,0,0,0,0|2,0,0]=3 2034 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,1,0,0,0,0|2,0,0]=3 2035 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,0,0,0,0|2,0,0]=3 2036 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,0,0,0,0|2,0,0]=3 2037 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,0,0,0,0|1,0,0]=2 2038 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,0,0,0,0|2,0,1]=4 2039 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|1,0,2]=4 2040 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|1,0,2]=4 2041 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|1,0,2]=4 2042 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|1,0,2]=4 2043 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|1,0,2]=4 2044 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|1,0,2]=4 2045 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,0,0,0,0|2,0,0]=3 2046 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,0,0,0,0|2,0,0]=3 2047 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,0,0,0,0|1,0,0]=2 2048 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,0,0,0,0|1,0,0]=2 2049 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,0,0,0,0|2,0,0]=3 2050 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,0,0,0,0|2,0,0]=3 2051 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,0,0,0,0|1,0,0]=2 2052 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,0,0,0,0|1,0,0]=2 2053 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,0,0,0,0|2,0,1]=4 2054 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,0,0,0,0|1,0,2]=4 2055 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,1,0,0,0,0|2,0,0]=3 2056 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,1,0,0,0,0|2,0,0]=3 2057 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,0,0,0,0|1,0,0]=2 2058 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,0,0,0,0|1,0,0]=2 2059 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,1,0,0,0,0|3,0,0]=4 2060 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,0,0,0,0|2,0,1]=4 2061 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,0,0,0,0|1,0,2]=4 2062 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,0,0,0,0|1,0,2]=4 2063 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,0,0,0,0|1,0,2]=4 2064 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,0,0,0,0|1,0,2]=4 2065 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,0,0,0,0|1,0,2]=4 2066 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,0,0,0,0|1,0,2]=4 2067 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,0,0,0,0|1,0,2]=4 2068 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,0,0,0,0|1,0,2]=4 2069 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,1,0,0,0,0|2,0,0]=3 2070 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,1,0,0,0,0|2,0,0]=3 2071 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,1,0,0,0,0|2,0,0]=3 2072 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,1,0,0,0,0|2,0,0]=3 2073 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,0,0,0,0|1,0,0]=2 2074 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,1,0,0,0,0|2,0,0]=3 2075 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,1,0,0,0,0|3,0,0]=4 2076 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,1,0,0,0,0|3,0,0]=4 2077 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,1,0,0,0,0|2,0,0]=3 2078 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,1,0,0,0,0|3,0,0]=4 2079 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,1,0,0,0,0|3,0,0]=4 2080 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,1,0,0,0,0|3,0,0]=4 2081 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,0,0,0,0|1,0,2]=4 2082 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,0,0,0,0|1,0,2]=4 2083 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,0,0,0,0|1,0,2]=4 2084 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,0,0,0,0|1,0,2]=4 2085 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,0,0,0,0|1,0,2]=4 2086 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,0,0,0,0|1,0,2]=4 2087 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,0,0,0,0|1,0,2]=4 2088 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,1,0,0,0,0|2,0,0]=3 2089 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,1,0,0,0,0|2,0,0]=3 2090 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,0,0,0,0|1,0,0]=2 2091 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,0,0,0,0|1,0,0]=2 2092 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,1,0,0,0,0|3,0,0]=4 2093 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,1,0,0,0,0|3,0,0]=4 2094 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,1,0,0,0,0|3,0,0]=4 2095 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,1,0,0,0,0|3,0,0]=4 2096 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,1,0,0,0,0|3,0,0]=4 2097 B7R0.4 CN(C)CC#CCO 2230a_100102631434_200000047223 [0,1,0,0,0,0|1,0,2]=4 2098 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,1,0,0,0,0|2,0,1]=4 2099 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,1,0,0,0,0|2,0,1]=4 2100 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,0,0,0,0|1,0,2]=4 2101 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,0,0,0,0|1,0,2]=4 2102 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,1,0,0,0,0|2,0,0]=3 2103 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,1,0,0,0,0|2,0,0]=3 2104 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,0,0,0,0|1,0,0]=2 2105 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,0,0,0,0|1,0,0]=2 2106 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,0,0,0,0|1,0,0]=2 2107 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,0,0,0,0|1,0,0]=2 2108 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,1,0,0,0,0|3,0,0]=4 2109 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,1,0,0,0,0|3,0,0]=4 2110 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,0,0,0,0|1,0,0]=2 2111 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,0,0,0,0|1,0,0]=2 2112 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|1,0,2]=4 2113 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|1,0,2]=4 2114 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,0,0,0,0|1,0,2]=4 2115 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,0,0,0,0|1,0,2]=4 2116 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,0,0,0,0|1,0,2]=4 2117 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,0,0,0,0|2,0,0]=3 2118 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,0,0,0,0|2,0,0]=3 2119 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,0,0,0,0|2,0,0]=3 2120 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,0,0,0,0|2,0,0]=3 2121 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,0,0,0,0|2,0,0]=3 2122 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,0,0,0,0|1,0,0]=2 2123 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,0,0,0,0|1,0,0]=2 2124 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,0,0,0,0|1,0,0]=2 2125 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,0,0,0,0|3,0,0]=4 2126 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,0,0,0,0|2,0,1]=4 2127 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,1,0,0,0,0|3,0,0]=4 2128 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,1,0,0,0,0|3,0,0]=4 2129 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,1,0,0,0,0|3,0,0]=4 2130 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,1,0,0,0,0|3,0,0]=4 2131 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,1,0,0,0,0|3,0,0]=4 2132 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,1,0,0,0,0|3,0,0]=4 2133 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,1,0,0,0,0|3,0,0]=4 2134 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,1,0,0,0,0|3,0,0]=4 2135 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,1,0,0,0,0|3,0,0]=4 2136 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,1,0,0,0,0|3,0,0]=4 2137 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|1,0,2]=4 2138 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|1,0,2]=4 2139 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|1,0,2]=4 2140 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|1,0,2]=4 2141 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|1,0,2]=4 2142 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,0,0,0,0|1,0,2]=4 2143 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|1,0,2]=4 2144 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,0,0,0,0|2,0,0]=3 2145 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,0,0,0,0|2,0,0]=3 2146 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,0,0,0,0|2,0,0]=3 2147 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,0,0,0,0|1,0,0]=2 2148 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,1,0,0,0,0|3,0,0]=4 2149 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,1,0,0,0,0|3,0,0]=4 2150 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,1,0,0,0,0|3,0,0]=4 2151 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,1,0,0,0,0|3,0,0]=4 2152 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,1,0,0,0,0|3,0,0]=4 2153 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,1,0,0,0,0|3,0,0]=4 2154 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,1,0,0,0,0|2,0,1]=4 2155 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,1,0,0,0,0|3,0,0]=4 2156 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,1,0,0,0,0|3,0,0]=4 2157 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,1,0,0,0,0|3,0,0]=4 2158 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,1,0,0,0,0|3,0,0]=4 2159 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,1,0,0,0,0|3,0,0]=4 2160 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,1,0,0,0,0|3,0,0]=4 2161 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,1,0,0,0,0|3,0,0]=4 2162 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,1,0,0,0,0|3,0,0]=4 2163 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,1,0,0,0,0|3,0,0]=4 2164 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,1,0,0,0,0|3,0,0]=4 2165 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,1,0,0,0,0|3,0,0]=4 2166 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,1,0,0,0,0|3,0,0]=4 2167 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,1,0,0,0,0|3,0,0]=4 2168 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,1,0,0,0,0|3,0,0]=4 2169 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|2,0,1]=4 2170 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,1,0,0,0,0|3,0,0]=4 2171 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,0,0,0,0|2,0,0]=3 2172 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,1,0,0,0,0|3,0,0]=4 2173 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,1,0,0,0,0|3,0,0]=4 2174 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,0,0,0,0|2,0,0]=3 2175 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,0,0,0,0|2,0,0]=3 2176 B7R0.4 COCSCC(F)F 62a_100000766300_100011934356 [0,1,0,0,0,0|3,0,0]=4 2177 B7R0.4 COCSCC(F)F 62a_100011934356_100000766300 [0,1,0,0,0,0|3,0,0]=4 2178 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,0,0,0,0|2,0,0]=3 2179 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,0,0,0,0|2,0,0]=3 2180 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,0,0,0,0|2,0,1]=4 2181 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|1,0,2]=4 2182 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|1,0,2]=4 2183 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|1,0,2]=4 2184 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|1,0,2]=4 2185 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|1,0,2]=4 2186 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|1,0,2]=4 2187 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,0,0,0,0|2,0,0]=3 2188 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,0,0,0,0|2,0,0]=3 2189 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,0,0,0,0|1,0,0]=2 2190 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,0,0,0,0|1,0,0]=2 2191 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,1,0,0,0,0|3,0,0]=4 2192 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,1,0,0,0,0|3,0,0]=4 2193 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,1,0,0,0,0|3,0,0]=4 2194 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,1,0,0,0,0|3,0,0]=4 2195 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,1,0,0,0,0|3,0,0]=4 2196 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,1,0,0,0,0|3,0,0]=4 2197 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,1,0,0,0,0|3,0,0]=4 2198 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,1,0,0,0,0|3,0,0]=4 2199 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,1,0,0,0,0|3,0,0]=4 2200 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,1,0,0,0,0|3,0,0]=4 2201 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,1,0,0,0,0|3,0,0]=4 2202 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,1,0,0,0,0|3,0,0]=4 2203 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,1,0,0,0,0|3,0,0]=4 2204 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|2,0,1]=4 2205 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,1,0,0,0,0|3,0,0]=4 2206 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,1,0,0,0,0|3,0,0]=4 2207 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,0,0,0,0|2,0,0]=3 2208 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,0,0,0,0|2,0,0]=3 2209 B7R0.4 CSCNCC(F)F 34a_100000765723_100011218213 [0,1,0,0,0,0|3,0,0]=4 2210 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,1,0,0,0,0|3,0,0]=4 2211 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,1,0,0,0,0|3,0,0]=4 2212 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,1,0,0,0,0|3,0,0]=4 2213 B7R0.4 CSCOCC(F)F 34a_100000743014_100011218213 [0,1,0,0,0,0|3,0,0]=4 2214 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,1,0,0,0,0|3,0,0]=4 2215 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,1,0,0,0,0|3,0,0]=4 2216 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,1,0,0,0,0|3,0,0]=4 2217 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,1,0,0,0,0|3,0,0]=4 2218 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,0,0,0,0|2,0,0]=3 2219 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,0,0,0,0|2,0,0]=3 2220 B7R0.4 CSCSCC(F)F 62a_100011218213_100011934356 [0,1,0,0,0,0|3,0,0]=4 2221 B7R0.4 CSCSCC(F)F 62a_100011934356_100011218213 [0,1,0,0,0,0|3,0,0]=4 2222 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,0,0,0,0|2,0,0]=3 2223 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,0,0,0,0|2,0,0]=3 2224 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,0,0,0,0|1,0,2]=4 2225 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,1,0,0,0,0|2,0,0]=3 2226 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,1,0,0,0,0|1,0,0]=2 2227 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,1,0,0,0,0|2,0,0]=3 2228 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,0,0,0,0|1,0,2]=4 2229 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,1,0,0,0,0|2,0,0]=3 2230 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,1,0,0,0,0|1,0,0]=2 2231 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,0,0,0,0|2,0,0]=3 2232 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,0,0,0,0|1,0,0]=2 2233 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,0,0,0,0|1,0,0]=2 2234 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,0,0,0,0|2,0,0]=3 2235 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,0,0,0,0|2,0,0]=3 2236 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [0,1,0,0,0,0|2,0,1]=4 2237 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [0,1,0,0,0,0|2,0,1]=4 2238 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|1,0,2]=4 2239 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|1,0,2]=4 2240 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,0,0,0,0|2,0,0]=3 2241 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,0,0,0,0|2,0,0]=3 2242 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,0,0,0,0|1,0,0]=2 2243 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,0,0,0,0|1,0,0]=2 2244 B7R0.4 FC(F)COCCBr 34a_100000211926_100011934356 [0,1,0,0,0,0|3,0,0]=4 2245 B7R0.4 FCCNCC(F)F 34a_100000724931_100011934356 [0,1,0,0,0,0|3,0,0]=4 2246 B7R0.4 FCCNCC(F)F 34a_100000765723_100011217306 [0,1,0,0,0,0|3,0,0]=4 2247 B7R0.4 FCCOCC(F)F 34a_100000743014_100011217306 [0,1,0,0,0,0|3,0,0]=4 2248 B7R0.4 FCCSCC(F)F 62a_100011217306_100011934356 [0,1,0,0,0,0|3,0,0]=4 2249 B7R0.4 FCCSCC(F)F 62a_100011934356_100011217306 [0,1,0,0,0,0|3,0,0]=4 2250 B7R0.4 FCOCCC(F)F 34a_100103093639_100015361967 [0,1,0,0,0,0|3,0,0]=4 2251 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|2,0,1]=4 2252 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|2,0,1]=4 2253 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|2,0,1]=4 2254 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|2,0,1]=4 2255 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|2,0,1]=4 2256 B7R0.4 NCCOCC(F)F 34a_100000210304_100011934356 [0,1,0,0,0,0|3,0,0]=4 2257 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|2,0,1]=4 2258 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|2,0,1]=4 2259 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|2,0,1]=4 2260 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|2,0,1]=4 2261 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|2,0,1]=4 2262 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,1,0,0,0,0|3,0,0]=4 2263 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,1,0,0,0,0|3,0,0]=4 2264 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [0,1,0,0,0,0|2,0,0]=3 2265 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [0,1,0,0,0,0|2,0,0]=3 2266 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [0,1,0,0,0,0|2,0,0]=3 2267 B7R0.4 OCCOCC(F)F 34a_100000743014_100000211926 [0,1,0,0,0,0|2,0,0]=3 2268 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [0,1,0,0,0,0|2,0,0]=3 2269 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [0,1,0,0,0,0|2,0,0]=3 2270 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,0,0,0,0|1,0,2]=4 2271 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|0,0,1]=2 2272 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|1,0,1]=3 2273 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,0,0,0,0|1,0,2]=4 2274 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,1,0,0,0,0|2,0,1]=4 2275 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|1,0,2]=4 2276 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|1,0,2]=4 2277 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|1,0,2]=4 2278 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|1,0,2]=4 2279 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,1,0,0,0,0|0,0,3]=4 2280 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,1,0,0,0,0|0,0,3]=4 2281 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,0,0,0,0|2,0,1]=4 2282 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,0,0,0,0|2,0,1]=4 2283 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 2284 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [0,1,0,0,0,0|2,0,1]=4 2285 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 2286 B7R0.7 C#CCN(C)CCO 2230a_100000210263_100000038162 [0,1,0,0,0,0|1,0,2]=4 2287 B7R0.7 C#CCN(C)CCO 2230a_100000225692_100000211926 [0,1,0,0,0,0|1,0,2]=4 2288 B7R0.7 C#CCN(C)CCO 34a_100000225692_100000211926 [0,1,0,0,0,0|1,0,2]=4 2289 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|1,0,2]=4 2290 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|1,0,2]=4 2291 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,0,0,0,0|0,0,3]=4 2292 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,0,0,0,0|0,0,3]=4 2293 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,0,0,0,0|2,0,1]=4 2294 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,0,0,0,0|2,0,1]=4 2295 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,0,0,0,0|2,0,1]=4 2296 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,0,0,0,0|2,0,1]=4 2297 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 2298 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 2299 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 2300 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 2301 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,1,0,0,0,0|1,0,2]=4 2302 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,1,0,0,0,0|1,0,2]=4 2303 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,1,0,0,0,0|1,0,2]=4 2304 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,1,0,0,0,0|1,0,2]=4 2305 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 2306 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 2307 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,1,0,0,0,0|2,0,1]=4 2308 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,1,0,0,0,0|2,0,1]=4 2309 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,0,0,0,0|0,0,3]=4 2310 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,0,0,0,0|3,0,0]=4 2311 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|2,0,0]=3 2312 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,0,0,0,0|2,0,0]=3 2313 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,0,0,0,0|2,0,0]=3 2314 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,0,0,0,0|0,0,3]=4 2315 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|1,0,2]=4 2316 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|1,0,2]=4 2317 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|1,0,1]=3 2318 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|1,0,1]=3 2319 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|0,0,1]=2 2320 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|0,0,1]=2 2321 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|2,0,1]=4 2322 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|2,0,1]=4 2323 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|2,0,1]=4 2324 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|2,0,1]=4 2325 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|2,0,1]=4 2326 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|2,0,1]=4 2327 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|2,0,1]=4 2328 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|2,0,1]=4 2329 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|2,0,1]=4 2330 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|2,0,1]=4 2331 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|2,0,1]=4 2332 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|2,0,0]=3 2333 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|2,0,0]=3 2334 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|2,0,0]=3 2335 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|2,0,0]=3 2336 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|2,0,0]=3 2337 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|2,0,0]=3 2338 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|2,0,0]=3 2339 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|2,0,0]=3 2340 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|2,0,0]=3 2341 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|2,0,0]=3 2342 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|2,0,0]=3 2343 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|2,0,0]=3 2344 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|2,0,0]=3 2345 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|2,0,0]=3 2346 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|2,0,0]=3 2347 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|2,0,0]=3 2348 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|2,0,0]=3 2349 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|2,0,0]=3 2350 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|2,0,0]=3 2351 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|2,0,0]=3 2352 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|2,0,0]=3 2353 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|2,0,0]=3 2354 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|2,0,0]=3 2355 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,0,0,0,0|2,0,0]=3 2356 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,0,0,0,0|2,0,0]=3 2357 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [0,1,0,0,0,0|2,0,1]=4 2358 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [0,1,0,0,0,0|2,0,1]=4 2359 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [0,1,0,0,0,0|2,0,1]=4 2360 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|1,0,2]=4 2361 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|1,0,2]=4 2362 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 2363 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 2364 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 2365 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 2366 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,0,0,0,0|2,0,0]=3 2367 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,0,0,0,0|2,0,0]=3 2368 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,0,0,0,0|1,0,0]=2 2369 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,0,0,0,0|1,0,0]=2 2370 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,0,0,0,0|1,0,0]=2 2371 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,0,0,0,0|1,0,0]=2 2372 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,0,0,0,0|1,0,0]=2 2373 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,0,0,0,0|1,0,0]=2 2374 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 2375 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 2376 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 2377 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 2378 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 2379 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 2380 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,0,0,0,0|1,0,0]=2 2381 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,0,0,0,0|1,0,0]=2 2382 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|2,0,0]=3 2383 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|2,0,0]=3 2384 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|1,0,1]=3 2385 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,1,0,0,0,0|2,0,1]=4 2386 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|1,0,0]=2 2387 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,0,0,0,0|3,0,0]=4 2388 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,0,0,0,0|3,0,0]=4 2389 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|3,0,0]=4 2390 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,1,0,0,0,0|2,0,1]=4 2391 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|1,0,0]=2 2392 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|1,0,0]=2 2393 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,0,0,0,0|3,0,0]=4 2394 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,0,0,0,0|2,0,0]=3 2395 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,0,0,0,0|1,0,0]=2 2396 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,0,0,0,0|3,0,0]=4 2397 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,0,0,0,0|3,0,0]=4 2398 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,1,0,0,0,0|2,0,1]=4 2399 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,1,0,0,0,0|2,0,1]=4 2400 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|1,0,0]=2 2401 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|1,0,0]=2 2402 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|3,0,0]=4 2403 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|3,0,0]=4 2404 B7R0.7 CN(CC#N)CCO 2230a_100000210263_100011215382 [0,1,0,0,0,0|2,0,1]=4 2405 B7R0.7 CN(CC#N)CCO 2230a_100000748184_100000211926 [0,1,0,0,0,0|2,0,1]=4 2406 B7R0.7 CN(CC#N)CCO 269982a_100000210263_100011214920 [0,1,0,0,0,0|2,0,1]=4 2407 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 2408 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 2409 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [0,1,0,0,0,0|2,0,0]=3 2410 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [0,1,0,0,0,0|2,0,0]=3 2411 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [0,1,0,0,0,0|2,0,0]=3 2412 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [0,1,0,0,0,0|2,0,0]=3 2413 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [0,1,0,0,0,0|2,0,0]=3 2414 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [0,1,0,0,0,0|2,0,0]=3 2415 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,0,0,0,0|2,0,1]=4 2416 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,0,0,0,0|2,0,1]=4 2417 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,0,0,0,0|2,0,1]=4 2418 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,1,0,0,0,0|3,0,0]=4 2419 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,1,0,0,0,0|3,0,0]=4 2420 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,1,0,0,0,0|3,0,0]=4 2421 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,1,0,0,0,0|3,0,0]=4 2422 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,1,0,0,0,0|2,0,1]=4 2423 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,1,0,0,0,0|2,0,1]=4 2424 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,0,0,0,0|2,0,1]=4 2425 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,0,0,0,0|2,0,1]=4 2426 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,0,0,0,0|1,0,1]=3 2427 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,0,0,0,0|2,0,1]=4 2428 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,0,0,0,0|2,0,0]=3 2429 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,0,0,0,0|3,0,0]=4 2430 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,0,0,0,0|3,0,0]=4 2431 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|3,0,0]=4 2432 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|3,0,0]=4 2433 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,1,0,0,0,0|3,0,0]=4 2434 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|3,0,0]=4 2435 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,1,0,0,0,0|3,0,0]=4 2436 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,0,0,0,0|3,0,0]=4 2437 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,0,0,0,0|3,0,0]=4 2438 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,0,0,0,0|3,0,0]=4 2439 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,0,0,0,0|3,0,0]=4 2440 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,1,0,0,0,0|2,0,0]=3 2441 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,1,0,0,0,0|2,0,0]=3 2442 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,0,0,0,0|3,0,0]=4 2443 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|2,0,1]=4 2444 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|1,0,1]=3 2445 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,0,0,0,0|2,0,1]=4 2446 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,0,0,0,0|2,0,1]=4 2447 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|2,0,0]=3 2448 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|2,0,0]=3 2449 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,1,0,0,0,0|2,0,1]=4 2450 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,1,0,0,0,0|2,0,1]=4 2451 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,0,0,0,0|2,0,0]=3 2452 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,1,0,0,0,0|1,0,2]=4 2453 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,1,0,0,0,0|1,0,2]=4 2454 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|1,0,1]=3 2455 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|1,0,1]=3 2456 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [0,1,0,0,0,0|2,0,0]=3 2457 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [0,1,0,0,0,0|2,0,0]=3 2458 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,0,0,0,0|2,0,1]=4 2459 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,0,0,0,0|2,0,1]=4 2460 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,1,0,0,0,0|2,0,1]=4 2461 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,1,0,0,0,0|2,0,1]=4 2462 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,1,0,0|2,0,0]=3 2463 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,1,0,0|2,0,0]=3 2464 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,0,0,1,0,0|3,0,0]=4 2465 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,0,0,1,0,0|3,0,0]=4 2466 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 2467 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 2468 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|2,0,0]=3 2469 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 2470 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|2,0,0]=3 2471 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 2472 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,1,0,0|3,0,0]=4 2473 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,1,0,0|3,0,0]=4 2474 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,1,0,0|3,0,0]=4 2475 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,1,0,0|3,0,0]=4 2476 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,1,0,0|3,0,0]=4 2477 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,1,0,0|3,0,0]=4 2478 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,1,0,0|3,0,0]=4 2479 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,1,0,0|3,0,0]=4 2480 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 2481 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|2,0,0]=3 2482 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 2483 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|1,0,0]=2 2484 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,1,0,0|3,0,0]=4 2485 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,1,0,0|3,0,0]=4 2486 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,1,0,0|3,0,0]=4 2487 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|2,0,0]=3 2488 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|2,0,0]=3 2489 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|3,0,0]=4 2490 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,0,0,1,0,0|2,0,0]=3 2491 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,0,0,1,0,0|3,0,0]=4 2492 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 2493 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 2494 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,1,0,0|3,0,0]=4 2495 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,1,0,0|3,0,0]=4 2496 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,1,0,0|3,0,0]=4 2497 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 2498 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 2499 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|1,0,0]=2 2500 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,1,0,0|3,0,0]=4 2501 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,1,0,0|3,0,0]=4 2502 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|2,0,0]=3 2503 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|2,0,0]=3 2504 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|3,0,0]=4 2505 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,1,0,0|3,0,0]=4 2506 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,1,0,0|3,0,0]=4 2507 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,1,0,0|3,0,0]=4 2508 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,0,0,1,0,0|3,0,0]=4 2509 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,0,0,1,0,0|3,0,0]=4 2510 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,0,0,1,0,0|3,0,0]=4 2511 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,0,0,1,0,0|3,0,0]=4 2512 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,0,0,1,0,0|3,0,0]=4 2513 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,1,0,0|3,0,0]=4 2514 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,1,0,0|3,0,0]=4 2515 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,1,0,0|3,0,0]=4 2516 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,0,0,1,0,0|3,0,0]=4 2517 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,0,0,1,0,0|3,0,0]=4 2518 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,0,0,1,0,0|3,0,0]=4 2519 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,0,0,1,0,0|3,0,0]=4 2520 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,0,0,1,0,0|3,0,0]=4 2521 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 2522 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 2523 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 2524 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 2525 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 2526 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 2527 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 2528 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 2529 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 2530 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 2531 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 2532 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 2533 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|2,0,0]=3 2534 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|2,0,0]=3 2535 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|2,0,0]=3 2536 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|2,0,0]=3 2537 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|2,0,0]=3 2538 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|2,0,0]=3 2539 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,0,0,1,0,0|2,0,0]=3 2540 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,0,0,1,0,0|2,0,0]=3 2541 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,0,0,1,0,0|2,0,0]=3 2542 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|2,0,0]=3 2543 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|2,0,0]=3 2544 B7R1.5 FCN[C@@H]1C[C@H]1F 34a_100025746932_100015361967 [0,0,0,1,0,0|3,0,0]=4 2545 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,0,0,1,0,0|2,0,1]=4 2546 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|2,0,0]=3 2547 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,1,0,0|2,0,0]=3 2548 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,1,0,0|2,0,0]=3 2549 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,1,0,0|2,0,0]=3 2550 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,0,0,1,0,0|3,0,0]=4 2551 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,0,1,0,0|2,0,0]=3 2552 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,0,1,0,0|2,0,0]=3 2553 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,0,0,1,0,0|3,0,0]=4 2554 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,0,1,0,0|3,0,0]=4 2555 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,0,1,0,0|2,0,0]=3 2556 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,0,0,1,0,0|3,0,0]=4 2557 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|2,0,0]=3 2558 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|2,0,0]=3 2559 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|2,0,0]=3 2560 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|2,0,0]=3 2561 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|2,0,0]=3 2562 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|2,0,0]=3 2563 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,0,1,0,0|1,0,0]=2 2564 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,0,1,0,0|1,0,0]=2 2565 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,0,1,0,0|1,0,0]=2 2566 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,0,0,1,0,0|3,0,0]=4 2567 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,0,0,1,0,0|3,0,0]=4 2568 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,0,0,1,0,0|3,0,0]=4 2569 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,0,0,1,0,0|3,0,0]=4 2570 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,0,0,1,0,0|3,0,0]=4 2571 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,0,1,0,0|1,0,0]=2 2572 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,0,1,0,0|1,0,0]=2 2573 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|2,0,0]=3 2574 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|2,0,0]=3 2575 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,0,1,0,0|1,0,0]=2 2576 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,0,1,0,0|1,0,0]=2 2577 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,0,0,1,0,0|3,0,0]=4 2578 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,0,0,1,0,0|3,0,0]=4 2579 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,0,0,1,0,0|3,0,0]=4 2580 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,0,0,1,0,0|3,0,0]=4 2581 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|2,0,0]=3 2582 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|2,0,0]=3 2583 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,1,0,0|1,0,0]=2 2584 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,1,0,0|1,0,0]=2 2585 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,0,0,1,0,0|3,0,0]=4 2586 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,0,0,1,0,0|3,0,0]=4 2587 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,0,0,1,0,0|3,0,0]=4 2588 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [0,0,0,1,0,0|2,0,0]=3 2589 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,0,0,1,0,0|2,0,0]=3 2590 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,0,1,0,0|2,0,0]=3 2591 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,0,0,1,0,0|3,0,0]=4 2592 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,0,0,1,0,0|2,0,0]=3 2593 B7R1.6 FCSC1COC1 62a_100015361967_100009818527 [0,0,0,1,0,0|3,0,0]=4 2594 B7R1.6 N#CCN1CCC1 269982a_100000754969_100011214920 [0,0,0,1,0,0|2,0,1]=4 2595 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,1,0,0|1,0,2]=4 2596 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,0,0,1,0,0|1,0,0]=2 2597 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|2,0,0]=3 2598 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|2,0,0]=3 2599 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,0,0,1,0,0|3,0,0]=4 2600 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,0,0,1,0,0|3,0,0]=4 2601 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,0,1,0,0|1,0,0]=2 2602 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,0,1,0,0|1,0,0]=2 2603 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|2,0,0]=3 2604 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,0,1,0,0|1,0,0]=2 2605 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,0,0,1,0,0|3,0,0]=4 2606 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,0,0,1,0,0|3,0,0]=4 2607 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|2,0,0]=3 2608 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|2,0,0]=3 2609 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,1,0,0|1,0,0]=2 2610 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,1,0,0|1,0,0]=2 2611 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,0,0,1,0,0|3,0,0]=4 2612 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,0,0,1,0,0|3,0,0]=4 2613 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,0,0,1,0,0|2,0,0]=3 2614 B7R1.7 C#CCNC1CC1 34a_100000212008_100000184674 [0,0,0,1,0,0|2,0,1]=4 2615 B7R1.7 C#CCNC1CC1 34a_100000212058_100000211595 [0,0,0,1,0,0|2,0,1]=4 2616 B7R1.7 C#CCOC1CC1 34a_100000210247_100000211595 [0,0,0,1,0,0|2,0,1]=4 2617 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [0,0,0,1,0,0|2,0,1]=4 2618 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,0,0,1,0,0|2,0,1]=4 2619 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,0,0,1,0,0|2,0,1]=4 2620 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,0,0,1,0,0|2,0,1]=4 2621 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,0,0,1,0,0|2,0,0]=3 2622 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,0,0,1,0,0|2,0,0]=3 2623 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,0,0,1,0,0|2,0,0]=3 2624 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,0,0,1,0,0|2,0,0]=3 2625 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,0,0,1,0,0|2,0,0]=3 2626 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,0,0,1,0,0|2,0,0]=3 2627 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,0,0,1,0,0|2,0,0]=3 2628 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,0,0,1,0,0|1,0,0]=2 2629 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,0,0,1,0,0|2,0,0]=3 2630 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,0,0,1,0,0|2,0,0]=3 2631 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,0,1,0,0|1,0,0]=2 2632 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,0,1,0,0|1,0,0]=2 2633 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,0,0,1,0,0|2,0,0]=3 2634 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,0,0,1,0,0|2,0,0]=3 2635 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,0,0,1,0,0|1,0,0]=2 2636 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,0,0,1,0,0|1,0,0]=2 2637 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,0,0,1,0,0|1,1,0]=3 2638 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,0,0,1,0,0|1,1,0]=3 2639 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,0,0,1,0,0|1,0,0]=2 2640 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,0,0,1,0,0|1,0,0]=2 2641 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,0,0,1,0,0|2,0,0]=3 2642 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,0,0,1,0,0|2,0,0]=3 2643 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,0,0,1,0,0|2,0,0]=3 2644 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,0,0,1,0,0|2,0,0]=3 2645 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,0,1,0,0|1,0,0]=2 2646 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,0,1,0,0|1,0,0]=2 2647 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,0,1,0,0|1,0,0]=2 2648 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,0,0,1,0,0|2,0,0]=3 2649 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,0,0,1,0,0|2,0,0]=3 2650 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,0,0,1,0,0|2,0,0]=3 2651 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,0,1,0,0|1,0,0]=2 2652 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,0,1,0,0|1,0,0]=2 2653 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,0,0,1,0,0|3,0,0]=4 2654 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,0,0,1,0,0|2,0,0]=3 2655 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,0,0,1,0,0|2,0,0]=3 2656 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,0,1,0,0|1,0,0]=2 2657 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,0,1,0,0|1,0,0]=2 2658 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,0,0,1,0,0|3,0,0]=4 2659 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,0,0,1,0,0|3,0,0]=4 2660 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,0,0,1,0,0|2,0,0]=3 2661 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,0,0,1,0,0|2,0,0]=3 2662 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,0,0,1,0,0|2,0,0]=3 2663 B7R1.7 FCNCC1CC1 34a_100000735609_100015361967 [0,0,0,1,0,0|2,0,0]=3 2664 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [0,0,0,1,0,0|2,0,0]=3 2665 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [0,0,0,1,0,0|2,0,0]=3 2666 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [0,0,0,1,0,0|2,0,0]=3 2667 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [0,0,0,1,0,0|2,0,0]=3 2668 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [0,0,0,1,0,0|2,0,0]=3 2669 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [0,0,0,1,0,0|2,0,0]=3 2670 B7R1.7 FCSCC1CS1 62a_100000031435_100015361967 [0,0,0,1,0,0|2,1,0]=4 2671 B7R1.7 FCSCC1CS1 62a_100015361967_100000031435 [0,0,0,1,0,0|2,1,0]=4 2672 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [0,0,0,1,0,0|2,0,0]=3 2673 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [0,0,0,1,0,0|2,0,0]=3 2674 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [0,0,0,1,0,0|2,0,1]=4 2675 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,0,0,1,0,0|2,0,0]=3 2676 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,0,1,0,0|1,0,2]=4 2677 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,0,1,0,0|1,0,2]=4 2678 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,0,0,1,0,0|1,0,0]=2 2679 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,0,0,1,0,0|1,0,0]=2 2680 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,0,0,1,0,0|1,0,0]=2 2681 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,0,0,1,0,0|2,0,0]=3 2682 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,0,0,1,0,0|2,0,0]=3 2683 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,0,0,1,0,0|2,0,0]=3 2684 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,0,1,0,0|1,0,0]=2 2685 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,0,0,1,0,0|2,0,0]=3 2686 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,0,0,1,0,0|2,0,0]=3 2687 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,0,1,0,0|1,0,0]=2 2688 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,0,1,0,0|1,0,0]=2 2689 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,0,0,1,0,0|2,0,0]=3 2690 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,0,0,1,0,0|2,0,0]=3 2691 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|2,0,0]=3 2692 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|2,0,0]=3 2693 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,2]=4 2694 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,2]=4 2695 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|1,0,2]=4 2696 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|1,0,2]=4 2697 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|1,0,2]=4 2698 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|1,0,2]=4 2699 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|1,0,2]=4 2700 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 2701 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 2702 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 2703 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,0]=3 2704 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,0]=3 2705 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,0]=3 2706 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,0]=3 2707 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,0]=3 2708 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,0]=3 2709 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,0]=3 2710 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,0]=3 2711 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,0]=3 2712 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 2713 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,0]=3 2714 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 2715 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 2716 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 2717 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 2718 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 2719 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 2720 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,0]=3 2721 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 2722 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,0]=3 2723 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,0]=3 2724 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 2725 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|2,0,0]=4 2726 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|2,0,0]=4 2727 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|2,0,0]=4 2728 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 2729 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 2730 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 2731 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,0]=3 2732 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|2,0,0]=4 2733 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|2,0,0]=4 2734 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|2,0,0]=4 2735 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|2,0,0]=4 2736 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|2,0,0]=4 2737 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 2738 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 2739 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2740 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,0]=3 2741 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|2,0,0]=4 2742 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|2,0,0]=4 2743 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|2,0,0]=4 2744 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|2,0,0]=4 2745 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 2746 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,0]=3 2747 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,0]=3 2748 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 2749 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 2750 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 2751 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 2752 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2753 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,0]=3 2754 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2755 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2756 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|1,0,0]=3 2757 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|2,0,0]=4 2758 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|1,0,0]=3 2759 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 2760 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|1,0,1]=4 2761 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|0,0,1]=3 2762 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|0,0,1]=3 2763 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|1,0,1]=4 2764 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|1,0,1]=4 2765 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|1,0,1]=4 2766 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|1,0,1]=4 2767 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|1,0,1]=4 2768 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|1,0,1]=4 2769 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|1,0,1]=4 2770 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|1,0,1]=4 2771 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|1,0,1]=4 2772 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|1,0,0]=3 2773 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|1,0,0]=3 2774 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|1,0,0]=3 2775 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|1,0,0]=3 2776 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|1,0,0]=3 2777 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|1,0,0]=3 2778 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|1,0,0]=3 2779 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|1,0,0]=3 2780 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|1,0,0]=3 2781 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|1,0,0]=3 2782 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|1,0,0]=3 2783 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,1,0,0,0,0|2,0,0]=4 2784 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,1,0,0,0,0|2,0,0]=4 2785 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,1,0,0,0,0|2,0,0]=4 2786 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,1,0,0,0,0|1,0,0]=3 2787 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,1,0,0,0,0|1,0,0]=3 2788 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,1,0,0,0,0|1,0,0]=3 2789 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,1,0,0,0,0|1,0,0]=3 2790 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,1,0,0,0,0|1,0,0]=3 2791 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|1,0,0]=3 2792 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|1,0,0]=3 2793 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|1,0,0]=3 2794 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|1,0,0]=3 2795 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|1,0,0]=3 2796 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|0,0,1]=3 2797 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|0,0,1]=3 2798 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,1]=4 2799 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,1]=3 2800 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,1]=4 2801 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 2802 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 2803 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 2804 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,0]=3 2805 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,0]=3 2806 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,0]=3 2807 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,0]=3 2808 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,0]=3 2809 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,0]=3 2810 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,0]=3 2811 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,0]=3 2812 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,0]=3 2813 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,0]=3 2814 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,0]=3 2815 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,0]=3 2816 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,0]=3 2817 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,0]=3 2818 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,0]=3 2819 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,1,0,0,0,0|1,0,0]=3 2820 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,1,0,0,0,0|1,0,0]=3 2821 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,1,0,0,0,0|1,0,0]=3 2822 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,1,0,0,0,0|1,0,0]=3 2823 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,1,0,0,0,0|1,0,0]=3 2824 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,1,0,0,0,0|1,0,0]=3 2825 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,1,0,0,0,0|2,0,0]=4 2826 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,1,0,0,0,0|1,0,0]=3 2827 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,1,0,0,0,0|1,0,0]=3 2828 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,1,0,0,0,0|2,0,0]=4 2829 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,1,0,0,0,0|2,0,0]=4 2830 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,1,0,0,0,0|1,0,0]=3 2831 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,1,0,0,0,0|1,0,0]=3 2832 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,1,0,0,0,0|1,0,0]=3 2833 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,1,0,0,0,0|1,0,0]=3 2834 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,1,0,0,0,0|1,0,0]=3 2835 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,1,0,0,0,0|1,0,0]=3 2836 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,1,0,0,0,0|2,0,0]=4 2837 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,1,0,0,0,0|2,0,0]=4 2838 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 2839 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 2840 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,1,0,0,0,0|1,0,0]=3 2841 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,1,0,0,0,0|1,0,0]=3 2842 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 2843 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 2844 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 2845 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 2846 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 2847 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|1,0,0]=3 2848 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|1,0,0]=3 2849 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|1,0,0]=3 2850 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|1,0,0]=3 2851 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|1,0,0]=3 2852 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|1,0,0]=3 2853 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 2854 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,1,0,0,0,0|2,0,0]=4 2855 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 2856 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|1,0,0]=3 2857 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|1,0,0]=3 2858 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|1,0,0]=3 2859 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|1,0,0]=3 2860 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,1,0,0,0,0|2,0,0]=4 2861 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,1,0,0,0,0|2,0,0]=4 2862 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|1,0,0]=3 2863 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|1,0,0]=3 2864 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|1,0,0]=3 2865 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|1,0,0]=3 2866 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|1,0,0]=3 2867 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|1,0,0]=3 2868 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|1,0,0]=3 2869 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|1,0,0]=3 2870 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|1,0,0]=3 2871 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|1,0,0]=3 2872 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|1,0,0]=3 2873 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|1,0,0]=3 2874 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,1,0,0,0,0|2,0,0]=4 2875 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|1,0,1]=4 2876 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|1,0,0]=3 2877 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|1,0,0]=3 2878 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|1,0,0]=3 2879 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,1,0,0,0,0|2,0,0]=4 2880 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,1,0,0,0,0|2,0,0]=4 2881 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,1,0,0,0,0|2,0,0]=4 2882 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,1,0,0,0,0|2,0,0]=4 2883 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|2,0,0]=4 2884 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|1,0,0]=3 2885 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,1,0,0,0,0|1,0,0]=3 2886 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,1,0,0,0,0|1,0,0]=3 2887 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,1,0,0,0,0|1,0,0]=3 2888 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|1,0,0]=3 2889 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|1,0,0]=3 2890 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|1,0,0]=3 2891 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|2,0,0]=4 2892 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,1,0,0,0,0|1,0,0]=3 2893 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,1,0,0,0,0|2,0,0]=4 2894 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,1,0,0,0,0|2,0,0]=4 2895 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,1,0,0,0,0|2,0,0]=4 2896 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,1,0,0,0,0|1,0,0]=3 2897 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,1,0,0,0,0|1,0,0]=3 2898 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,1,0,0,0,0|1,0,0]=3 2899 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,1,0,0,0,0|1,0,0]=3 2900 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 2901 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 2902 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,1,0,0,0,0|2,0,0]=4 2903 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2904 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|1,0,0]=3 2905 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|2,0,0]=4 2906 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,1,0,0,0,0|2,0,0]=4 2907 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|2,0,0]=4 2909 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|2,0,0]=4 2910 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|2,0,0]=4 2911 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|2,0,0]=4 2912 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|2,0,0]=4 2913 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,1,0,0,0,0|2,0,0]=4 2914 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,1,0,0,0,0|1,0,0]=3 2915 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|1,0,0]=3 2916 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,1,0,0,0,0|2,0,0]=4 2917 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|2,0,0]=4 2918 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2919 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,1,0,0,0,0|2,0,0]=4 2920 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,1,0,0,0,0|1,0,0]=3 2921 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [1,1,0,0,0,0|2,0,0]=4 2922 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|2,0,0]=4 2923 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|1,0,0]=3 2924 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|1,0,0]=3 2925 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|1,0,0]=3 2926 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|1,0,0]=3 2927 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|1,0,0]=3 2928 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|1,0,0]=3 2929 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,1,0,0,0,0|2,0,0]=4 2930 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,1,0,0,0,0|2,0,0]=4 2931 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|1,0,0]=3 2932 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|1,0,0]=3 2933 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|1,0,0]=3 2934 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|1,0,0]=3 2935 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 2936 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 2937 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,1,0,0,0,0|2,0,0]=4 2938 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 2939 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|1,0,1]=4 2940 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,1]=4 2941 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,1]=4 2942 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,1,0,0,0,0|1,0,0]=3 2943 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,1,0,0,0,0|1,0,0]=3 2944 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,1,0,0,0,0|2,0,0]=4 2945 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [1,1,0,0,0,0|2,0,0]=4 2946 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|1,0,0]=3 2947 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|1,0,0]=3 2948 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,1,0,0,0,0|2,0,0]=4 2949 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,1,0,0,0,0|2,0,0]=4 2950 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|1,0,0]=3 2951 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|1,0,0]=3 2952 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 2953 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|1,0,1]=4 2954 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 2955 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2956 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,0,1]=4 2957 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2958 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|1,0,1]=4 2959 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|1,0,1]=4 2960 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|1,0,1]=4 2961 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|1,0,1]=4 2962 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,1]=4 2963 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,0,1]=4 2964 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,0,1]=4 2965 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,0,1]=4 2966 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,0,1]=4 2967 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,1]=4 2968 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,1]=3 2969 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 2970 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 2971 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,1]=4 2972 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,1]=4 2973 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 2974 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 2975 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2976 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 2977 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|1,0,0]=3 2978 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|1,0,0]=3 2979 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,0,0]=3 2980 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,0,0]=3 2981 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|2,0,0]=4 2982 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|2,0,0]=4 2983 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|2,0,0]=4 2984 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|2,0,0]=4 2985 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 2986 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|2,0,0]=4 2987 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 2988 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|1,0,0]=3 2989 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|1,0,0]=3 2990 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|1,0,0]=3 2991 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|1,0,0]=3 2992 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 2993 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|2,0,0]=4 2994 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|2,0,0]=4 2995 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|1,0,0]=3 2996 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|2,0,0]=4 2997 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|2,0,0]=4 2998 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|2,0,0]=4 2999 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|2,0,0]=4 3000 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|1,0,0]=3 3001 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|1,0,0]=3 3002 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,1,0,0,0,0|2,0,0]=4 3003 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|1,0,0]=3 3004 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|1,0,0]=3 3005 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|1,0,0]=3 3006 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,1,0,0,0,0|2,0,0]=4 3007 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|2,0,0]=4 3008 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|2,0,0]=4 3009 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,1]=3 3010 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,1]=3 3011 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,1]=3 3012 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|1,0,0]=3 3013 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|1,0,0]=3 3014 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|1,0,0]=3 3015 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|1,0,0]=3 3016 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|1,0,0]=3 3017 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|1,0,0]=3 3018 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 3019 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 3020 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 3021 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 3022 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 3023 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 3024 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,0]=3 3025 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,0]=3 3026 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,0]=3 3027 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,0]=3 3028 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,1]=4 3029 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 3030 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,0]=3 3031 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,0]=3 3032 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 3033 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|1,0,0]=3 3034 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|1,0,0]=3 3035 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|1,0,0]=3 3036 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [1,1,0,0,0,0|2,0,0]=4 3037 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [1,1,0,0,0,0|2,0,0]=4 3038 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|1,0,0]=3 3039 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,1]=4 3040 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,1]=4 3041 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,1]=4 3042 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,0,0]=3 3043 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,0]=3 3044 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,0]=3 3045 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,0,0]=3 3046 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|1,0,0]=3 3047 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,1,0,0,0,0|2,0,0]=4 3048 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,1,0,0,0,0|2,0,0]=4 3049 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|2,0,0]=4 3050 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,0]=3 3051 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,0,0]=3 3052 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|1,0,0]=3 3053 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,1]=4 3054 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,1]=4 3055 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,0]=3 3056 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,0]=3 3057 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|1,0,0]=3 3058 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|1,0,0]=3 3059 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,1,0,0,0,0|2,0,0]=4 3060 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,1,0,0,0,0|2,0,0]=4 3061 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|1,0,0]=3 3062 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|1,0,0]=3 3063 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 3064 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 3065 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|1,0,0]=3 3066 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|1,0,0]=3 3067 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|1,0,0]=3 3068 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|1,0,0]=3 3069 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|2,0,0]=4 3070 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|1,0,0]=3 3071 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|1,0,0]=3 3072 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 3073 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,0]=3 3074 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,0]=3 3075 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,0]=3 3076 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,0]=3 3077 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|1,0,0]=3 3078 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|1,0,0]=3 3079 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|1,0,0]=3 3080 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|1,0,0]=3 3081 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,1,0,0,0,0|2,0,0]=4 3082 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|2,0,0]=4 3083 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|2,0,0]=4 3084 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 3085 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 3086 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 3087 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 3088 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 3089 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,0]=3 3090 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|1,0,0]=3 3091 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|1,0,0]=3 3092 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|1,0,0]=3 3093 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|1,0,0]=3 3094 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,1,0,0,0,0|2,0,0]=4 3095 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 3096 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|2,0,0]=4 3097 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|2,0,0]=4 3099 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 3100 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 3101 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3102 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|2,0,0]=4 3103 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|2,0,0]=4 3104 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|2,0,0]=4 3105 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|2,0,0]=4 3106 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,1]=4 3107 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,1]=4 3108 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,1]=4 3109 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,1]=4 3110 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,1]=4 3111 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,0,0]=3 3112 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,0,0]=3 3113 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|1,0,0]=3 3114 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|1,0,0]=3 3115 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 3116 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|2,0,0]=4 3117 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 3118 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|2,0,0]=4 3119 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|2,0,0]=4 3120 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3121 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3122 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 3123 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 3124 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|2,0,0]=4 3125 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|2,0,0]=4 3127 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|2,0,0]=4 3128 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|2,0,0]=4 3129 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 3130 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3131 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,1,0,0,0,0|2,0,0]=4 3132 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|2,0,0]=4 3133 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|2,0,0]=4 3134 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,2,0,0,0,0|1,0,1]=4 3136 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,2,0,0,0,0|1,0,1]=4 3137 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,2,0,0,0,0|0,0,2]=4 3138 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [0,2,0,0,0,0|1,0,1]=4 3139 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [0,2,0,0,0,0|1,0,1]=4 3140 B8R0.1 C#CCC(C)OCCO 34a_100000685586_100000211926 [0,2,0,0,0,0|0,0,2]=4 3141 B8R0.1 C#CCC(C)OCCO 7a_100000685586_100000211926 [0,2,0,0,0,0|0,0,2]=4 3142 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,2,0,0,0,0|1,0,1]=4 3143 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,2,0,0,0,0|1,0,1]=4 3144 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,2,0,0,0,0|0,0,2]=4 3145 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,2,0,0,0,0|0,0,2]=4 3146 B8R0.1 C#CCCN(C)CCC 2230a_100000747261_100000688953 [0,2,0,0,0,0|1,0,1]=4 3147 B8R0.1 C#CCCN(C)CCC 269982a_100000747261_100000730999 [0,2,0,0,0,0|1,0,1]=4 3148 B8R0.1 C#CCCN(C)CCO 2230a_100000210263_100000688953 [0,2,0,0,0,0|0,0,2]=4 3149 B8R0.1 C#CCCN(C)CCO 269982a_100000210263_100000730999 [0,2,0,0,0,0|0,0,2]=4 3150 B8R0.1 C#CCN(C)CCCC 2230a_100000207549_100000038162 [0,2,0,0,0,0|1,0,1]=4 3151 B8R0.1 C#CCN(C)CCCC 2230a_100000225692_100000210211 [0,2,0,0,0,0|1,0,1]=4 3152 B8R0.1 C#CCN(C)CCCC 34a_100000225692_100000210210 [0,2,0,0,0,0|1,0,1]=4 3153 B8R0.1 C#CCN(C)CCCO 2230a_100000213112_100000038162 [0,2,0,0,0,0|0,0,2]=4 3154 B8R0.1 C#CCN(C)CCCO 2230a_100000225692_100000230001 [0,2,0,0,0,0|0,0,2]=4 3155 B8R0.1 C#CCN(C)CCCO 34a_100000225692_100000230001 [0,2,0,0,0,0|0,0,2]=4 3156 B8R0.1 C#CCNC(C)CCC 2230a_100000741246_100000038162 [0,2,0,0,0,0|1,0,1]=4 3157 B8R0.1 C#CCNC(C)CCC 34a_100000212058_100000766640 [0,2,0,0,0,0|1,0,1]=4 3158 B8R0.1 C#CCNC(C)CCO 34a_100000212058_100009893172 [0,2,0,0,0,0|0,0,2]=4 3159 B8R0.1 C#CCN[C@H](C)CCO 2230a_100000706166_100000038162 [0,2,0,0,0,0|0,0,2]=4 3160 B8R0.1 C#CCN[C@H](C)CCO 34a_100000706166_100000184674 [0,2,0,0,0,0|0,0,2]=4 3161 B8R0.1 C#CCOC(C)CCC 34a_100000210247_100000766640 [0,2,0,0,0,0|1,0,1]=4 3162 B8R0.1 C#CCOC(C)CCC 34a_100000764384_100000184674 [0,2,0,0,0,0|1,0,1]=4 3163 B8R0.1 C#CCOC(C)CCC 7a_100000764384_100000038162 [0,2,0,0,0,0|1,0,1]=4 3164 B8R0.1 C#CCOC(C)CCO 34a_100000210247_100009893172 [0,2,0,0,0,0|0,0,2]=4 3165 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,2,0,0,0,0|1,0,1]=4 3166 B8R0.1 C#CCSC(C)CCO 62a_100000038162_100009893172 [0,2,0,0,0,0|0,0,2]=4 3167 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,2,0,0,0,0|0,0,2]=4 3168 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,2,0,0,0,0|0,0,2]=4 3169 B8R0.1 C/C=C/CN(C)CCO 269982a_100000210263_100102629194 [0,2,0,0,0,0|0,0,2]=4 3170 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|1,0,1]=4 3171 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|1,0,1]=4 3172 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|0,0,2]=4 3173 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,2,0,0,0,0|1,0,1]=4 3174 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,2,0,0,0,0|1,0,1]=4 3175 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|1,0,1]=4 3176 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|1,0,1]=4 3177 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|0,0,2]=4 3178 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|0,0,2]=4 3179 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,2,0,0,0,0|1,0,1]=4 3180 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 3181 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 3182 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,2,0,0,0,0|1,0,1]=4 3183 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,2,0,0,0,0|1,0,1]=4 3184 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,2,0,0,0,0|1,0,1]=4 3185 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,2,0,0,0,0|1,0,1]=4 3186 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [0,2,0,0,0,0|0,0,2]=4 3187 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [0,2,0,0,0,0|0,0,2]=4 3188 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [0,2,0,0,0,0|0,0,2]=4 3189 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [0,2,0,0,0,0|0,0,2]=4 3190 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,2,0,0,0,0|1,0,1]=4 3191 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,2,0,0,0,0|1,0,1]=4 3192 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,2,0,0,0,0|1,0,1]=4 3193 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,2,0,0,0,0|1,0,1]=4 3194 B8R0.1 C=CCN(C)CCCO 2230a_100000213112_100000210623 [0,2,0,0,0,0|0,0,2]=4 3195 B8R0.1 C=CCN(C)CCCO 2230a_100000225617_100000230001 [0,2,0,0,0,0|0,0,2]=4 3196 B8R0.1 C=CCN(C)CCCO 269982a_100000213112_100000210623 [0,2,0,0,0,0|0,0,2]=4 3197 B8R0.1 C=CCN(C)CCCO 269982a_100000225617_100011215043 [0,2,0,0,0,0|0,0,2]=4 3198 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,2,0,0,0,0|1,0,1]=4 3199 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,2,0,0,0,0|1,0,1]=4 3200 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,2,0,0,0,0|1,0,1]=4 3201 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,2,0,0,0,0|0,0,2]=4 3202 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,2,0,0,0,0|0,0,2]=4 3203 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,2,0,0,0,0|0,0,2]=4 3204 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,2,0,0,0,0|1,0,1]=4 3205 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,2,0,0,0,0|1,0,1]=4 3206 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,2,0,0,0,0|1,0,1]=4 3207 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,2,0,0,0,0|0,0,2]=4 3208 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,2,0,0,0,0|1,0,1]=4 3209 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,2,0,0,0,0|1,0,1]=4 3210 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,2,0,0,0,0|0,0,2]=4 3211 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,2,0,0,0,0|0,0,2]=4 3212 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,2,0,0,0,0|1,0,1]=4 3213 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,2,0,0,0,0|1,0,1]=4 3214 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,2,0,0,0,0|0,0,2]=4 3215 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,2,0,0,0,0|0,0,2]=4 3216 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,2,0,0,0,0|1,0,1]=4 3217 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,2,0,0,0,0|0,0,2]=4 3218 B8R0.1 CC#CC(C)OCCO 34a_100011216543_100000211926 [0,2,0,0,0,0|0,0,2]=4 3219 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,2,0,0,0,0|0,0,2]=4 3220 B8R0.1 CC#CCN(C)CCO 2230a_100000210263_100000748600 [0,2,0,0,0,0|0,0,2]=4 3221 B8R0.1 CC(CC#N)NCCO 2230a_100016997473_100009813641 [0,2,0,0,0,0|1,0,1]=4 3222 B8R0.1 CC(CC#N)SCCO 62a_100000211926_100009813641 [0,2,0,0,0,0|1,0,1]=4 3223 B8R0.1 CC(CC#N)SCCO 62a_100009813641_100000211926 [0,2,0,0,0,0|1,0,1]=4 3224 B8R0.1 CC(CCBr)OCCF 34a_100012276601_100011217306 [0,2,0,0,0,0|2,0,0]=4 3225 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,2,0,0,0,0|1,0,0]=3 3226 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,2,0,0,0,0|2,0,0]=4 3227 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,2,0,0,0,0|2,0,0]=4 3228 B8R0.1 CC(CCN)COCF 34a_106354213184_100015361967 [0,2,0,0,0,0|2,0,0]=4 3229 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,2,0,0,0,0|1,0,0]=3 3230 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,2,0,0,0,0|1,0,0]=3 3231 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,2,0,0,0,0|1,0,0]=3 3232 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,2,0,0,0,0|1,0,0]=3 3233 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,2,0,0,0,0|1,0,0]=3 3234 B8R0.1 CC(CCO)SCC#N 62a_100009893172_100011215382 [0,2,0,0,0,0|1,0,1]=4 3235 B8R0.1 CC(CCO)SCC#N 62a_100011215382_100009893172 [0,2,0,0,0,0|1,0,1]=4 3236 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,2,0,0,0,0|1,0,1]=4 3237 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,2,0,0,0,0|1,0,1]=4 3238 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,2,0,0,0,0|1,0,0]=3 3239 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,2,0,0,0,0|1,0,0]=3 3240 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,2,0,0,0,0|1,0,0]=3 3241 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,2,0,0,0,0|1,0,0]=3 3242 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|0,0,2]=4 3243 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,2,0,0,0,0|0,0,2]=4 3244 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,2,0,0,0,0|0,0,2]=4 3245 B8R0.1 CC=CCN(C)CCO 2230a_100000210263_100000070051 [0,2,0,0,0,0|0,0,2]=4 3246 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,2,0,0,0,0|0,0,2]=4 3247 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|0,0,2]=4 3248 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,2,0,0,0,0|0,0,2]=4 3249 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,2,0,0,0,0|1,0,1]=4 3250 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,2,0,0,0,0|1,0,1]=4 3251 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|1,0,0]=3 3252 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|0,0,0]=2 3253 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|0,0,1]=3 3254 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|0,0,1]=3 3255 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|0,1,1]=4 3256 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|0,1,1]=4 3257 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,2,0,0,0,0|1,0,1]=4 3258 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|1,0,1]=4 3259 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|1,0,1]=4 3260 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|1,0,1]=4 3261 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|1,0,1]=4 3262 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,2,0,0,0,0|1,0,1]=4 3263 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,2,0,0,0,0|1,0,1]=4 3264 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|1,0,1]=4 3265 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|1,0,1]=4 3266 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|1,0,1]=4 3267 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|1,0,1]=4 3268 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|0,0,1]=3 3269 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|0,0,1]=3 3270 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,2,0,0,0,0|1,0,1]=4 3271 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,2,0,0,0,0|0,0,0]=2 3272 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,2,0,0,0,0|0,0,0]=2 3273 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,2,0,0,0,0|0,0,0]=2 3274 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,2,0,0,0,0|0,0,0]=2 3275 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,2,0,0,0,0|1,0,0]=3 3276 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,2,0,0,0,0|1,0,0]=3 3277 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,2,0,0,0,0|1,0,0]=3 3278 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,2,0,0,0,0|1,0,0]=3 3279 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,2,0,0,0,0|1,0,0]=3 3280 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,2,0,0,0,0|1,0,0]=3 3281 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,2,0,0,0,0|1,0,0]=3 3282 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,2,0,0,0,0|1,0,0]=3 3283 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,2,0,0,0,0|1,0,0]=3 3284 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,2,0,0,0,0|1,0,0]=3 3285 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,2,0,0,0,0|1,0,0]=3 3286 B8R0.1 CCCC(C)NCC#N 2230a_100000741246_100011215382 [0,2,0,0,0,0|1,0,1]=4 3287 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|0,0,2]=4 3288 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,2,0,0,0,0|1,0,0]=3 3289 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,2,0,0,0,0|1,0,0]=3 3290 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,2,0,0,0,0|0,0,0]=2 3291 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,2,0,0,0,0|0,0,0]=2 3292 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,2,0,0,0,0|0,0,0]=2 3293 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,2,0,0,0,0|0,0,0]=2 3294 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,2,0,0,0,0|1,0,0]=3 3295 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,2,0,0,0,0|1,1,0]=4 3296 B8R0.1 CCCC(C)OCC#N 7a_100000764384_100011215382 [0,2,0,0,0,0|1,0,1]=4 3297 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|0,0,2]=4 3298 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|0,0,2]=4 3299 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,2,0,0,0,0|1,0,0]=3 3300 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,2,0,0,0,0|1,0,0]=3 3301 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,2,0,0,0,0|1,0,0]=3 3302 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,2,0,0,0,0|1,0,0]=3 3303 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,2,0,0,0,0|0,0,0]=2 3304 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,2,0,0,0,0|0,0,0]=2 3305 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|1,1,0]=4 3306 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,2,0,0,0,0|1,0,1]=4 3307 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,2,0,0,0,0|1,0,1]=4 3308 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|0,0,2]=4 3309 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|0,0,2]=4 3310 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,2,0,0,0,0|1,0,0]=3 3311 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,2,0,0,0,0|1,0,0]=3 3312 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,2,0,0,0,0|0,0,0]=2 3313 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,2,0,0,0,0|0,0,0]=2 3314 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,2,0,0,0,0|1,0,0]=3 3315 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,2,0,0,0,0|1,0,0]=3 3316 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,2,0,0,0,0|1,1,0]=4 3317 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,2,0,0,0,0|1,1,0]=4 3318 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,2,0,0,0,0|1,0,1]=4 3319 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,2,0,0,0,0|1,0,1]=4 3320 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|1,0,0]=3 3321 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|1,0,0]=3 3322 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|1,0,0]=3 3323 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|0,0,0]=2 3324 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|0,0,0]=2 3325 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|0,0,1]=3 3326 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|0,1,1]=4 3327 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|1,0,1]=4 3328 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|1,0,1]=4 3329 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|1,0,1]=4 3330 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,2,0,0,0,0|0,0,0]=2 3331 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,2,0,0,0,0|0,0,0]=2 3332 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,2,0,0,0,0|0,0,0]=2 3333 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,2,0,0,0,0|0,0,0]=2 3334 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,2,0,0,0,0|1,0,0]=3 3335 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,2,0,0,0,0|1,0,0]=3 3336 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,2,0,0,0,0|1,0,0]=3 3337 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,2,0,0,0,0|1,0,0]=3 3338 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,2,0,0,0,0|1,0,0]=3 3339 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,2,0,0,0,0|1,0,0]=3 3340 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,2,0,0,0,0|1,0,0]=3 3341 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,2,0,0,0,0|1,0,0]=3 3342 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,2,0,0,0,0|1,0,0]=3 3343 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,2,0,0,0,0|1,0,0]=3 3344 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,2,0,0,0,0|1,0,0]=3 3345 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,2,0,0,0,0|1,0,0]=3 3346 B8R0.1 CCCCN(C)CC#N 2230a_100000207549_100011215382 [0,2,0,0,0,0|1,0,1]=4 3347 B8R0.1 CCCCN(C)CC#N 2230a_100000748184_100000210211 [0,2,0,0,0,0|1,0,1]=4 3348 B8R0.1 CCCCN(C)CC#N 2230a_200011192266_200000210301 [0,2,0,0,0,0|1,0,1]=4 3349 B8R0.1 CCCCN(C)CC#N 269982a_100000207549_100011214920 [0,2,0,0,0,0|1,0,1]=4 3350 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|0,0,2]=4 3351 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|0,0,2]=4 3352 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,2,0,0,0,0|1,0,0]=3 3353 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,2,0,0,0,0|1,0,0]=3 3354 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,2,0,0,0,0|1,0,0]=3 3355 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,2,0,0,0,0|1,0,0]=3 3356 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,2,0,0,0,0|1,0,0]=3 3357 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,2,0,0,0,0|1,0,0]=3 3358 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,2,0,0,0,0|1,0,0]=3 3359 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,2,0,0,0,0|1,0,0]=3 3360 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,2,0,0,0,0|0,0,0]=2 3361 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,2,0,0,0,0|0,0,0]=2 3362 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,2,0,0,0,0|0,0,0]=2 3363 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,2,0,0,0,0|0,0,0]=2 3364 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,2,0,0,0,0|0,0,0]=2 3365 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,2,0,0,0,0|0,0,0]=2 3366 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,2,0,0,0,0|1,0,0]=3 3367 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,2,0,0,0,0|1,0,0]=3 3368 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,2,0,0,0,0|1,1,0]=4 3369 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,2,0,0,0,0|1,1,0]=4 3370 B8R0.1 CCCCN([13CH3])CC#N 2230a_200011192266_200025704644 [0,2,0,0,0,0|1,0,1]=4 3371 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,2,0,0,0,0|1,0,0]=3 3372 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,2,0,0,0,0|1,0,0]=3 3373 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,2,0,0,0,0|0,0,0]=2 3374 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,2,0,0,0,0|0,0,0]=2 3375 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,2,0,0,0,0|0,0,0]=2 3376 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|0,0,0]=2 3377 B8R0.1 CCCN(C)CCC#N 2230a_100000176855_200000210301 [0,2,0,0,0,0|1,0,1]=4 3378 B8R0.1 CCCN(C)CCC#N 2230a_100000184479_100000210303 [0,2,0,0,0,0|1,0,1]=4 3379 B8R0.1 CCCN(C)CCC#N 2230a_100000747261_100011215226 [0,2,0,0,0,0|1,0,1]=4 3380 B8R0.1 CCCN(C)CCC#N 269982a_100000747261_100011215226 [0,2,0,0,0,0|1,0,1]=4 3381 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,2,0,0,0,0|1,0,0]=3 3382 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,2,0,0,0,0|1,0,0]=3 3383 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,2,0,0,0,0|0,0,0]=2 3384 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,2,0,0,0,0|0,0,0]=2 3385 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,2,0,0,0,0|0,0,0]=2 3386 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,2,0,0,0,0|0,0,0]=2 3387 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,2,0,0,0,0|1,0,0]=3 3388 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,2,0,0,0,0|1,0,0]=3 3389 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,2,0,0,0,0|1,0,0]=3 3390 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,2,0,0,0,0|1,0,0]=3 3391 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,2,0,0,0,0|1,0,0]=3 3392 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,2,0,0,0,0|1,0,0]=3 3393 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,2,0,0,0,0|1,1,0]=4 3394 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,2,0,0,0,0|1,1,0]=4 3395 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,2,0,0,0,0|1,1,0]=4 3396 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,2,0,0,0,0|1,1,0]=4 3397 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,2,0,0,0,0|2,0,0]=4 3398 B8R0.1 CCCN([13CH3])CCC#N 2230a_100000176855_200025704644 [0,2,0,0,0,0|1,0,1]=4 3399 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,2,0,0,0,0|1,0,0]=3 3400 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,2,0,0,0,0|1,0,0]=3 3401 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|1,0,1]=4 3402 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|1,0,1]=4 3403 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|1,0,1]=4 3404 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|1,0,1]=4 3405 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|0,0,1]=3 3406 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 3407 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 3408 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 3409 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|1,0,1]=4 3410 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|1,0,1]=4 3411 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,2,0,0,0,0|1,0,0]=3 3412 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,2,0,0,0,0|1,0,0]=3 3413 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,2,0,0,0,0|1,0,0]=3 3414 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|1,1,0]=4 3415 B8R0.1 CCCN[C@@H](C)CC#N 2230a_100016994482_100000210303 [0,2,0,0,0,0|1,0,1]=4 3416 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,2,0,0,0,0|0,0,0]=2 3417 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,2,0,0,0,0|0,0,0]=2 3418 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,2,0,0,0,0|1,0,0]=3 3419 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|1,0,1]=4 3420 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,2,0,0,0,0|1,0,0]=3 3421 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,2,0,0,0,0|1,0,0]=3 3422 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,2,0,0,0,0|1,0,0]=3 3423 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,2,0,0,0,0|1,0,0]=3 3424 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,2,0,0,0,0|0,0,0]=2 3425 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,2,0,0,0,0|2,0,0]=4 3426 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,2,0,0,0,0|2,0,0]=4 3427 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,2,0,0,0,0|2,0,0]=4 3428 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,2,0,0,0,0|2,0,0]=4 3429 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,2,0,0,0,0|1,0,0]=3 3430 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,2,0,0,0,0|1,0,0]=3 3431 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,2,0,0,0,0|1,0,1]=4 3432 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,2,0,0,0,0|1,0,1]=4 3433 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,2,0,0,0,0|1,0,0]=3 3434 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,2,0,0,0,0|1,0,0]=3 3435 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,2,0,0,0,0|0,0,0]=2 3436 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,2,0,0,0,0|0,0,0]=2 3437 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,2,0,0,0,0|1,0,0]=3 3438 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,2,0,0,0,0|1,0,0]=3 3439 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,2,0,0,0,0|0,0,0]=2 3440 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|0,0,0]=2 3441 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,2,0,0,0,0|1,0,0]=3 3442 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [0,2,0,0,0,0|1,0,0]=3 3443 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,2,0,0,0,0|1,0,1]=4 3444 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,2,0,0,0,0|1,0,1]=4 3445 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,2,0,0,0,0|1,0,1]=4 3446 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 3447 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,2,0,0,0,0|1,0,1]=4 3448 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 3449 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 3450 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,2,0,0,0,0|1,0,0]=3 3451 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,2,0,0,0,0|1,1,0]=4 3452 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,2,0,0,0,0|1,0,1]=4 3454 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,2,0,0,0,0|1,0,0]=3 3455 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,2,0,0,0,0|1,0,0]=3 3456 B8R0.1 CCNC[C@@H](O)CC#N 2230a_100015525214_100000001066 [0,2,0,0,0,0|1,0,1]=4 3457 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,2,0,0,0,0|1,0,1]=4 3458 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|1,0,1]=4 3459 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,2,0,0,0,0|1,0,0]=3 3460 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,2,0,0,0,0|1,0,0]=3 3461 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|1,0,1]=4 3462 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|0,0,1]=3 3463 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,2,0,0,0,0|1,0,1]=4 3464 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,2,0,0,0,0|1,0,0]=3 3465 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,2,0,0,0,0|2,0,0]=4 3466 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,2,0,0,0,0|2,0,0]=4 3467 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,2,0,0,0,0|2,0,0]=4 3468 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,2,0,0,0,0|2,0,0]=4 3469 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,2,0,0,0,0|1,0,0]=3 3470 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,2,0,0,0,0|2,0,0]=4 3471 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,2,0,0,0,0|2,0,0]=4 3472 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,2,0,0,0,0|2,0,0]=4 3473 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,2,0,0,0,0|2,0,0]=4 3474 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,2,0,0,0,0|1,0,0]=3 3475 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,2,0,0,0,0|1,0,0]=3 3476 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,2,0,0,0,0|1,0,1]=4 3477 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|0,0,1]=3 3478 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,2,0,0,0,0|1,0,1]=4 3479 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,2,0,0,0,0|1,0,1]=4 3480 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,2,0,0,0,0|1,0,0]=3 3481 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,2,0,0,0,0|1,0,0]=3 3482 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000001066_100000210202 [0,2,0,0,0,0|1,0,1]=4 3483 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000210202_100000001066 [0,2,0,0,0,0|1,0,1]=4 3484 B8R0.1 CN(CC#N)CCCO 2230a_100000213112_100011215382 [0,2,0,0,0,0|1,0,1]=4 3485 B8R0.1 CN(CC#N)CCCO 2230a_100000748184_100000230001 [0,2,0,0,0,0|1,0,1]=4 3486 B8R0.1 CN(CC#N)CCCO 269982a_100000213112_100011214920 [0,2,0,0,0,0|1,0,1]=4 3487 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|1,0,1]=4 3488 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|1,0,1]=4 3489 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [0,2,0,0,0,0|1,0,0]=3 3490 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [0,2,0,0,0,0|1,0,0]=3 3491 B8R0.1 CN(CCO)CCC#N 2230a_100000184479_100000211926 [0,2,0,0,0,0|1,0,1]=4 3492 B8R0.1 CN(CCO)CCC#N 2230a_100000210263_100011215226 [0,2,0,0,0,0|1,0,1]=4 3493 B8R0.1 CN(CCO)CCC#N 269982a_100000210263_100011215226 [0,2,0,0,0,0|1,0,1]=4 3494 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [0,2,0,0,0,0|1,0,0]=3 3495 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [0,2,0,0,0,0|1,0,0]=3 3496 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,2,0,0,0,0|1,0,0]=3 3497 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,2,0,0,0,0|1,0,0]=3 3498 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,2,0,0,0,0|1,0,0]=3 3499 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,2,0,0,0,0|1,0,0]=3 3500 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,2,0,0,0,0|1,0,0]=3 3501 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,2,0,0,0,0|1,0,0]=3 3502 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,2,0,0,0,0|0,0,0]=2 3503 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,2,0,0,0,0|0,0,0]=2 3504 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|1,0,1]=4 3505 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|0,0,1]=3 3506 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|1,0,1]=4 3507 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|1,0,1]=4 3508 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|1,0,1]=4 3509 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [0,2,0,0,0,0|2,0,0]=4 3510 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,2,0,0,0,0|1,0,0]=3 3511 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,2,0,0,0,0|1,0,0]=3 3512 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,2,0,0,0,0|1,0,0]=3 3513 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,2,0,0,0,0|2,0,0]=4 3514 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,2,0,0,0,0|2,0,0]=4 3515 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [0,2,0,0,0,0|2,0,0]=4 3516 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [0,2,0,0,0,0|2,0,0]=4 3517 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,2,0,0,0,0|1,0,0]=3 3518 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,2,0,0,0,0|1,0,0]=3 3519 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,2,0,0,0,0|2,0,0]=4 3520 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,2,0,0,0,0|2,0,0]=4 3521 B8R0.1 COCC(N)COCF 34a_100000724102_100015361967 [0,2,0,0,0,0|2,0,0]=4 3522 B8R0.1 COCC(O)CNCF 34a_100000756049_100015361967 [0,2,0,0,0,0|2,0,0]=4 3523 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,2,0,0,0,0|2,0,0]=4 3524 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,2,0,0,0,0|2,0,0]=4 3525 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|1,0,1]=4 3526 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|0,0,1]=3 3527 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|0,0,1]=3 3528 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|1,0,1]=4 3529 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|1,0,1]=4 3530 B8R0.1 COCCN(C)CCF 2230a_100000743101_100011217306 [0,2,0,0,0,0|2,0,0]=4 3531 B8R0.1 COCCN(C)CCF 269982a_100000743101_100011217306 [0,2,0,0,0,0|2,0,0]=4 3532 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [0,2,0,0,0,0|1,0,0]=3 3533 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [0,2,0,0,0,0|1,0,0]=3 3534 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [0,2,0,0,0,0|1,0,0]=3 3535 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [0,2,0,0,0,0|1,0,0]=3 3536 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [0,2,0,0,0,0|2,0,0]=4 3537 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [0,2,0,0,0,0|2,0,0]=4 3538 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 3539 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 3540 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [0,2,0,0,0,0|1,0,0]=3 3541 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [0,2,0,0,0,0|1,0,0]=3 3542 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,2,0,0,0,0|2,0,0]=4 3543 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,2,0,0,0,0|2,0,0]=4 3544 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [0,2,0,0,0,0|1,0,0]=3 3545 B8R0.1 COCN[C@H](C)COC 2230a_100000764878_100000766300 [0,2,0,0,0,0|2,0,0]=4 3546 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,2,0,0,0,0|2,0,0]=4 3547 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,2,0,0,0,0|2,0,0]=4 3548 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,2,0,0,0,0|2,0,0]=4 3549 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,2,0,0,0,0|2,0,0]=4 3550 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,2,0,0,0,0|1,0,0]=3 3551 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,2,0,0,0,0|1,0,0]=3 3552 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [0,2,0,0,0,0|2,0,0]=4 3553 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [0,2,0,0,0,0|2,0,0]=4 3554 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [0,2,0,0,0,0|2,0,0]=4 3555 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,2,0,0,0,0|1,0,0]=3 3556 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,2,0,0,0,0|2,0,0]=4 3557 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,2,0,0,0,0|2,0,0]=4 3558 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,2,0,0,0,0|1,0,0]=3 3559 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,2,0,0,0,0|2,0,0]=4 3560 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,2,0,0,0,0|1,0,0]=3 3561 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|1,0,1]=4 3562 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|0,0,1]=3 3563 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,2,0,0,0,0|1,0,1]=4 3564 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,2,0,0,0,0|1,0,1]=4 3565 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,2,0,0,0,0|1,0,0]=3 3566 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|1,0,1]=4 3567 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|0,0,1]=3 3568 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|0,0,1]=3 3569 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,2,0,0,0,0|2,0,0]=4 3570 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,2,0,0,0,0|2,0,0]=4 3571 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,2,0,0,0,0|1,0,0]=3 3572 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,2,0,0,0,0|1,0,0]=3 3573 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,2,0,0,0,0|1,0,0]=3 3574 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,2,0,0,0,0|1,0,0]=3 3575 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,2,0,0,0,0|1,0,0]=3 3576 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,2,0,0,0,0|1,0,0]=3 3577 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,2,0,0,0,0|1,0,0]=3 3578 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,2,0,0,0,0|1,0,0]=3 3579 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,2,0,0,0,0|1,0,0]=3 3580 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,2,0,0,0,0|2,0,0]=4 3581 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,2,0,0,0,0|1,0,0]=3 3582 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,2,0,0,0,0|1,0,0]=3 3583 B8R0.1 C[C@@H](CC#N)NCCO 2230a_100016994482_100000211926 [0,2,0,0,0,0|1,0,1]=4 3584 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,2,0,0,0,0|0,0,0]=2 3585 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|0,0,0]=2 3586 B8R0.1 C[C@H](CCO)NCC#N 2230a_100000706166_100011215382 [0,2,0,0,0,0|1,0,1]=4 3587 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|1,0,1]=4 3588 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|1,0,1]=4 3589 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,2,0,0,0,0|1,0,0]=3 3590 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,2,0,0,0,0|1,0,0]=3 3591 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,2,0,0,0,0|1,0,0]=3 3592 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,2,0,0,0,0|1,0,0]=3 3593 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,2,0,0,0,0|0,0,2]=4 3594 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,2,0,0,0,0|0,0,2]=4 3595 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,2,0,0,0,0|0,0,2]=4 3596 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|0,0,1]=3 3597 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|0,0,1]=3 3598 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|1,0,1]=4 3599 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|1,0,1]=4 3600 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,2,0,0,0,0|1,0,0]=3 3601 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,2,0,0,0,0|1,0,0]=3 3602 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [0,2,0,0,0,0|1,0,0]=3 3603 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [0,2,0,0,0,0|1,0,0]=3 3604 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [0,2,0,0,0,0|1,0,0]=3 3605 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [0,2,0,0,0,0|0,0,1]=3 3606 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,2,0,0,0,0|0,0,1]=3 3607 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,2,0,0,0,0|0,0,1]=3 3608 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,2,0,0,0,0|0,0,1]=3 3609 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,2,0,0,0,0|0,0,1]=3 3610 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,2,0,0,0,0|1,0,0]=3 3611 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,2,0,0,0,0|1,0,0]=3 3612 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,2,0,0,0,0|1,0,0]=3 3613 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,2,0,0,0,0|1,0,0]=3 3614 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [0,2,0,0,0,0|1,0,0]=3 3615 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [0,2,0,0,0,0|1,0,0]=3 3616 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [0,2,0,0,0,0|1,0,0]=3 3617 B8R0.4 C#CCCCCNCF 34a_100000706060_100015361967 [0,2,0,0,0,0|1,0,1]=4 3618 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [0,2,0,0,0,0|1,0,0]=3 3619 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [0,2,0,0,0,0|1,0,0]=3 3620 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [0,2,0,0,0,0|1,0,0]=3 3621 B8R0.4 C#CCCCCOCF 34a_100000766709_100015361967 [0,2,0,0,0,0|0,0,2]=4 3622 B8R0.4 C#CCCCCOCF 7a_100000766709_100015361967 [0,2,0,0,0,0|0,0,2]=4 3623 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,2,0,0,0,0|1,0,0]=3 3624 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,2,0,0,0,0|1,0,0]=3 3625 B8R0.4 C#CCCCCSCF 62a_100010269958_100015361967 [0,2,0,0,0,0|1,0,1]=4 3626 B8R0.4 C#CCCCCSCF 62a_100015361967_100010269958 [0,2,0,0,0,0|1,0,1]=4 3627 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,2,0,0,0,0|1,0,0]=3 3628 B8R0.4 C#CCCCNCCF 34a_100000718082_100011217306 [0,2,0,0,0,0|1,0,1]=4 3629 B8R0.4 C#CCCCNCCF 34a_100000724931_100000695029 [0,2,0,0,0,0|1,0,1]=4 3630 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [0,2,0,0,0,0|0,0,1]=3 3631 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [0,2,0,0,0,0|0,0,1]=3 3632 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [0,2,0,0,0,0|0,0,1]=3 3633 B8R0.4 C#CCCCNCSC 34a_100000718082_100011218213 [0,2,0,0,0,0|1,0,1]=4 3634 B8R0.4 C#CCCCOCCBr 34a_100000211926_100000695029 [0,2,0,0,0,0|1,0,1]=4 3635 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [0,2,0,0,0,0|1,0,0]=3 3636 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [0,2,0,0,0,0|1,0,0]=3 3637 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [0,2,0,0,0,0|1,0,0]=3 3638 B8R0.4 C#CCCCOCCF 34a_100000215630_100011217306 [0,2,0,0,0,0|1,0,1]=4 3639 B8R0.4 C#CCCCOCCF 7a_100000215630_100011217306 [0,2,0,0,0,0|1,0,1]=4 3640 B8R0.4 C#CCCCOCCN 34a_100000210304_100000695029 [0,2,0,0,0,0|1,0,1]=4 3641 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [0,2,0,0,0,0|0,0,1]=3 3642 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [0,2,0,0,0,0|0,0,1]=3 3643 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [0,2,0,0,0,0|1,0,1]=4 3644 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,2,0,0,0,0|1,0,0]=3 3645 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,2,0,0,0,0|1,0,0]=3 3646 B8R0.4 C#CCCCSCCF 62a_100011215417_100011217306 [0,2,0,0,0,0|1,0,1]=4 3647 B8R0.4 C#CCCCSCCF 62a_100011217306_100011215417 [0,2,0,0,0,0|1,0,1]=4 3648 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,2,0,0,0,0|0,0,1]=3 3649 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,2,0,0,0,0|0,0,1]=3 3650 B8R0.4 C#CCCCSCOC 62a_100000766300_100011215417 [0,2,0,0,0,0|0,0,2]=4 3651 B8R0.4 C#CCCCSCOC 62a_100011215417_100000766300 [0,2,0,0,0,0|0,0,2]=4 3652 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,2,0,0,0,0|1,0,1]=4 3653 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,2,0,0,0,0|1,0,1]=4 3654 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,2,0,0,0,0|1,0,0]=3 3655 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,2,0,0,0,0|1,0,0]=3 3656 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,2,0,0,0,0|1,0,0]=3 3657 B8R0.4 C#CCCNCCCF 2230a_100015189416_100000688953 [0,2,0,0,0,0|1,0,1]=4 3658 B8R0.4 C#CCCNCCCF 34a_100000755551_100011934791 [0,2,0,0,0,0|1,0,1]=4 3659 B8R0.4 C#CCCNCCCF 34a_100015189416_100000688953 [0,2,0,0,0,0|1,0,1]=4 3660 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [0,2,0,0,0,0|0,0,1]=3 3661 B8R0.4 C#CCCNCCOC 2230a_100000209980_100000688953 [0,2,0,0,0,0|0,0,2]=4 3662 B8R0.4 C#CCCNCCOC 34a_100000755551_100011201679 [0,2,0,0,0,0|0,0,2]=4 3663 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,2,0,0,0,0|1,0,1]=4 3664 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,2,0,0,0,0|1,0,1]=4 3665 B8R0.4 C#CCCOCCCBr 34a_100011217188_100000688953 [0,2,0,0,0,0|1,0,1]=4 3666 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [0,2,0,0,0,0|1,0,0]=3 3667 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [0,2,0,0,0,0|1,0,0]=3 3668 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [0,2,0,0,0,0|1,0,0]=3 3669 B8R0.4 C#CCCOCCCCl 34a_100000230001_100000688953 [0,2,0,0,0,0|1,0,1]=4 3670 B8R0.4 C#CCCOCCCF 34a_100000759539_100000688953 [0,2,0,0,0,0|1,0,1]=4 3671 B8R0.4 C#CCCOCCCF 34a_100011215631_100011934791 [0,2,0,0,0,0|1,0,1]=4 3672 B8R0.4 C#CCCOCCCN 34a_100000182051_100000688953 [0,2,0,0,0,0|1,0,1]=4 3673 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [0,2,0,0,0,0|0,0,1]=3 3674 B8R0.4 C#CCCOCCOC 34a_100000210237_100000688953 [0,2,0,0,0,0|0,0,2]=4 3675 B8R0.4 C#CCCOCCOC 34a_100011215631_100011201679 [0,2,0,0,0,0|0,0,2]=4 3676 B8R0.4 C#CCCOCCON 34a_100000700252_100000688953 [0,2,0,0,0,0|0,0,2]=4 3677 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [0,2,0,0,0,0|1,0,1]=4 3678 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [0,2,0,0,0,0|1,0,1]=4 3679 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [0,2,0,0,0,0|1,0,1]=4 3680 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,2,0,0,0,0|1,0,0]=3 3681 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,2,0,0,0,0|1,0,0]=3 3682 B8R0.4 C#CCCSCCCF 62a_100000688953_100011934791 [0,2,0,0,0,0|1,0,1]=4 3683 B8R0.4 C#CCCSCCCF 62a_100011934791_100000688953 [0,2,0,0,0,0|1,0,1]=4 3684 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,2,0,0,0,0|0,0,1]=3 3685 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,2,0,0,0,0|0,0,1]=3 3686 B8R0.4 C#CCCSCCOC 62a_100000233755_100000688953 [0,2,0,0,0,0|0,0,2]=4 3687 B8R0.4 C#CCCSCCOC 62a_100000688953_100000233755 [0,2,0,0,0,0|0,0,2]=4 3688 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,2,0,0,0,0|1,0,1]=4 3689 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,2,0,0,0,0|1,0,1]=4 3690 B8R0.4 C#CCCSCOCC 62a_100000688953_100000739092 [0,2,0,0,0,0|1,0,1]=4 3691 B8R0.4 C#CCCSCOCC 62a_100000739092_100000688953 [0,2,0,0,0,0|1,0,1]=4 3692 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [0,2,0,0,0,0|1,0,0]=3 3693 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [0,2,0,0,0,0|1,0,0]=3 3694 B8R0.4 C#CCNCCCCF 34a_100000212058_100000729493 [0,2,0,0,0,0|1,0,1]=4 3695 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [0,2,0,0,0,0|0,0,1]=3 3696 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [0,2,0,0,0,0|0,0,1]=3 3697 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [0,2,0,0,0,0|0,0,1]=3 3698 B8R0.4 C#CCNCCCOC 34a_100000212058_100000740836 [0,2,0,0,0,0|0,0,2]=4 3699 B8R0.4 C#CCNCCCOC 34a_100150723488_100000184674 [0,2,0,0,0,0|0,0,2]=4 3700 B8R0.4 C#CCNCCCSC 2230a_100000749238_100000038162 [0,2,0,0,0,0|1,0,1]=4 3701 B8R0.4 C#CCNCCOCC 2230a_102516460346_100000038162 [0,2,0,0,0,0|1,0,1]=4 3702 B8R0.4 C#CCNCCOCC 34a_100000212058_100000210147 [0,2,0,0,0,0|1,0,1]=4 3703 B8R0.4 C#CCNCCOCC 34a_102516460346_100000184674 [0,2,0,0,0,0|1,0,1]=4 3704 B8R0.4 C#CCNCCSCC 2230a_100000106463_100000038162 [0,2,0,0,0,0|1,0,1]=4 3705 B8R0.4 C#CCNCCSCC 34a_100000212058_100000757381 [0,2,0,0,0,0|1,0,1]=4 3706 B8R0.4 C#CCOCCCCBr 34a_100011216708_100000184674 [0,2,0,0,0,0|1,0,1]=4 3707 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [0,2,0,0,0,0|1,0,0]=3 3708 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [0,2,0,0,0,0|1,0,0]=3 3709 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [0,2,0,0,0,0|1,0,0]=3 3710 B8R0.4 C#CCOCCCCCl 34a_100000210776_100000184674 [0,2,0,0,0,0|1,0,1]=4 3711 B8R0.4 C#CCOCCCCCl 7a_100000210776_100000038162 [0,2,0,0,0,0|1,0,1]=4 3712 B8R0.4 C#CCOCCCCF 34a_100000210247_100000729493 [0,2,0,0,0,0|1,0,1]=4 3713 B8R0.4 C#CCOCCCCF 34a_100011995726_100000184674 [0,2,0,0,0,0|1,0,1]=4 3714 B8R0.4 C#CCOCCCCF 7a_100011995726_100000038162 [0,2,0,0,0,0|1,0,1]=4 3715 B8R0.4 C#CCOCCCCI 34a_200012148704_100000184674 [0,2,0,0,0,0|1,0,1]=4 3716 B8R0.4 C#CCOCCCCN 34a_100000750430_100000184674 [0,2,0,0,0,0|1,0,1]=4 3717 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [0,2,0,0,0,0|0,0,1]=3 3718 B8R0.4 C#CCOCCCNC 34a_100000213112_100000184674 [0,2,0,0,0,0|1,0,1]=4 3719 B8R0.4 C#CCOCCCOC 34a_100000210247_100000740836 [0,2,0,0,0,0|0,0,2]=4 3720 B8R0.4 C#CCOCCCOC 34a_100000740835_100000184674 [0,2,0,0,0,0|0,0,2]=4 3721 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [0,2,0,0,0,0|1,0,1]=4 3722 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [0,2,0,0,0,0|1,0,1]=4 3723 B8R0.4 C#CCOCCNCC 2230a_100000700922_100000210202 [0,2,0,0,0,0|1,0,1]=4 3724 B8R0.4 C#CCOCCNCC 2230a_100015525214_100010402529 [0,2,0,0,0,0|1,0,1]=4 3725 B8R0.4 C#CCOCCNCC 34a_100000700922_100000210202 [0,2,0,0,0,0|1,0,1]=4 3726 B8R0.4 C#CCOCCOCC 34a_100000054580_100000210202 [0,2,0,0,0,0|1,0,1]=4 3727 B8R0.4 C#CCOCCOCC 34a_100000210136_100000184674 [0,2,0,0,0,0|1,0,1]=4 3728 B8R0.4 C#CCOCCOCC 34a_100000210247_100000210147 [0,2,0,0,0,0|1,0,1]=4 3729 B8R0.4 C#CCOCCOCC 34a_100121572206_100010402529 [0,2,0,0,0,0|1,0,1]=4 3730 B8R0.4 C#CCOCCOCC 7a_100000054580_100000210202 [0,2,0,0,0,0|1,0,1]=4 3731 B8R0.4 C#CCOCCOCC 7a_100000210136_100000038162 [0,2,0,0,0,0|1,0,1]=4 3732 B8R0.4 C#CCOCCSCC 34a_100000210247_100000757381 [0,2,0,0,0,0|1,0,1]=4 3733 B8R0.4 C#CCOCCSCC 34a_100000212035_100000184674 [0,2,0,0,0,0|1,0,1]=4 3734 B8R0.4 C#CCOCCSCC 62a_100000210202_100010402529 [0,2,0,0,0,0|1,0,1]=4 3735 B8R0.4 C#CCOCCSCC 62a_100010402529_100000210202 [0,2,0,0,0,0|1,0,1]=4 3736 B8R0.4 C#CCOCCSCC 7a_100000212035_100000038162 [0,2,0,0,0,0|1,0,1]=4 3737 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,2,0,0,0,0|1,0,0]=3 3738 B8R0.4 C#CCSCCCCF 62a_100000038162_100000729493 [0,2,0,0,0,0|1,0,1]=4 3739 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,2,0,0,0,0|0,0,1]=3 3740 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,2,0,0,0,0|0,0,2]=4 3741 B8R0.4 C#CCSCCOCC 62a_100000038162_100011215890 [0,2,0,0,0,0|1,0,1]=4 3742 B8R0.4 C#CCSCCSCC 62a_100000038162_100000757381 [0,2,0,0,0,0|1,0,1]=4 3743 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,2,0,0,0,0|1,0,1]=4 3744 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [0,2,0,0,0,0|1,0,1]=4 3745 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,2,0,0,0,0|0,0,1]=3 3746 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,2,0,0,0,0|1,0,1]=4 3747 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [0,2,0,0,0,0|1,0,1]=4 3748 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [0,2,0,0,0,0|1,0,1]=4 3749 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,2,0,0,0,0|1,0,1]=4 3750 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,2,0,0,0,0|1,0,1]=4 3751 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,2,0,0,0,0|1,0,1]=4 3752 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [0,2,0,0,0,0|1,0,1]=4 3753 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [0,2,0,0,0,0|1,0,1]=4 3754 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [0,2,0,0,0,0|1,0,1]=4 3755 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,2,0,0,0,0|1,0,1]=4 3756 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [0,2,0,0,0,0|0,0,1]=3 3757 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [0,2,0,0,0,0|0,0,2]=4 3758 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [0,2,0,0,0,0|0,0,2]=4 3759 B8R0.4 C/C=C/COCCON 34a_100000700252_100102629194 [0,2,0,0,0,0|0,0,2]=4 3760 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,2,0,0,0,0|1,0,1]=4 3761 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,2,0,0,0,0|1,0,1]=4 3762 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,2,0,0,0,0|1,0,1]=4 3763 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,2,0,0,0,0|1,0,1]=4 3764 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,2,0,0,0,0|0,0,1]=3 3765 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,2,0,0,0,0|0,0,1]=3 3766 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,2,0,0,0,0|0,0,2]=4 3767 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,2,0,0,0,0|0,0,2]=4 3768 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,2,0,0,0,0|1,0,0]=3 3769 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,2,0,0,0,0|1,0,0]=3 3770 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,2,0,0,0,0|1,0,0]=3 3771 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,2,0,0,0,0|0,0,1]=3 3772 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,2,0,0,0,0|0,0,1]=3 3773 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,2,0,0,0,0|0,0,1]=3 3774 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,2,0,0,0,0|0,0,1]=3 3775 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,2,0,0,0,0|0,0,1]=3 3776 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,2,0,0,0,0|1,0,0]=3 3777 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,2,0,0,0,0|1,0,0]=3 3778 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,2,0,0,0,0|1,0,0]=3 3779 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,2,0,0,0,0|1,0,0]=3 3780 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,2,0,0,0,0|1,0,0]=3 3781 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,2,0,0,0,0|1,0,0]=3 3782 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,2,0,0,0,0|1,0,0]=3 3783 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,2,0,0,0,0|1,0,1]=4 3784 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,2,0,0,0,0|1,0,0]=3 3785 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,2,0,0,0,0|1,0,0]=3 3786 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,2,0,0,0,0|1,0,0]=3 3787 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,2,0,0,0,0|0,0,2]=4 3788 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,2,0,0,0,0|0,0,2]=4 3789 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,2,0,0,0,0|1,0,0]=3 3790 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,2,0,0,0,0|1,0,0]=3 3791 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,2,0,0,0,0|1,0,1]=4 3792 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,2,0,0,0,0|1,0,1]=4 3793 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,2,0,0,0,0|1,0,0]=3 3794 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,2,0,0,0,0|1,0,0]=3 3795 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,2,0,0,0,0|1,0,1]=4 3796 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,2,0,0,0,0|1,0,1]=4 3797 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,2,0,0,0,0|1,0,1]=4 3798 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,2,0,0,0,0|0,0,1]=3 3799 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,2,0,0,0,0|0,0,1]=3 3800 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,2,0,0,0,0|0,0,1]=3 3801 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,2,0,0,0,0|0,0,1]=3 3802 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,2,0,0,0,0|0,0,2]=4 3803 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,2,0,0,0,0|1,0,1]=4 3804 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,2,0,0,0,0|1,0,1]=4 3805 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,2,0,0,0,0|1,0,1]=4 3806 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,2,0,0,0,0|1,0,0]=3 3807 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,2,0,0,0,0|1,0,0]=3 3808 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,2,0,0,0,0|1,0,0]=3 3809 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,2,0,0,0,0|1,0,1]=4 3810 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,2,0,0,0,0|1,0,1]=4 3811 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,2,0,0,0,0|1,0,1]=4 3812 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,2,0,0,0,0|0,0,1]=3 3813 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,2,0,0,0,0|0,0,1]=3 3814 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,2,0,0,0,0|1,0,1]=4 3815 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,2,0,0,0,0|1,0,0]=3 3816 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,2,0,0,0,0|1,0,0]=3 3817 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,2,0,0,0,0|1,0,1]=4 3818 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,2,0,0,0,0|1,0,1]=4 3819 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,2,0,0,0,0|0,0,1]=3 3820 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,2,0,0,0,0|0,0,1]=3 3821 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,2,0,0,0,0|0,0,2]=4 3822 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,2,0,0,0,0|0,0,2]=4 3823 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,2,0,0,0,0|1,0,1]=4 3824 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,2,0,0,0,0|1,0,1]=4 3825 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,2,0,0,0,0|1,0,0]=3 3826 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,2,0,0,0,0|1,0,0]=3 3827 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,2,0,0,0,0|1,0,0]=3 3828 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,2,0,0,0,0|1,0,1]=4 3829 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,2,0,0,0,0|1,0,1]=4 3830 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,2,0,0,0,0|1,0,1]=4 3831 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,2,0,0,0,0|0,0,1]=3 3832 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,2,0,0,0,0|0,0,2]=4 3833 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,2,0,0,0,0|0,0,2]=4 3834 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,2,0,0,0,0|1,0,1]=4 3835 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,2,0,0,0,0|1,0,1]=4 3836 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,2,0,0,0,0|1,0,1]=4 3837 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,2,0,0,0,0|1,0,0]=3 3838 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,2,0,0,0,0|1,0,0]=3 3839 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,2,0,0,0,0|1,0,0]=3 3840 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,2,0,0,0,0|1,0,1]=4 3841 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,2,0,0,0,0|1,0,1]=4 3842 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,2,0,0,0,0|1,0,1]=4 3843 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,2,0,0,0,0|1,0,1]=4 3844 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,2,0,0,0,0|0,0,1]=3 3845 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,2,0,0,0,0|0,0,2]=4 3846 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,2,0,0,0,0|0,0,2]=4 3847 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [0,2,0,0,0,0|0,0,2]=4 3848 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,2,0,0,0,0|1,0,1]=4 3849 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,2,0,0,0,0|1,0,1]=4 3850 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,2,0,0,0,0|1,0,1]=4 3851 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,2,0,0,0,0|1,0,0]=3 3852 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,2,0,0,0,0|1,0,0]=3 3853 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,2,0,0,0,0|1,0,1]=4 3854 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,2,0,0,0,0|1,0,1]=4 3855 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,2,0,0,0,0|0,0,1]=3 3856 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,2,0,0,0,0|0,0,1]=3 3857 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,2,0,0,0,0|0,0,2]=4 3858 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,2,0,0,0,0|0,0,2]=4 3859 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,2,0,0,0,0|1,0,1]=4 3860 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,2,0,0,0,0|1,0,1]=4 3861 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,2,0,0,0,0|1,0,1]=4 3862 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,2,0,0,0,0|1,0,1]=4 3863 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,2,0,0,0,0|1,0,0]=3 3864 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,2,0,0,0,0|1,0,0]=3 3865 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,2,0,0,0,0|1,0,1]=4 3866 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,2,0,0,0,0|0,0,1]=3 3867 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,2,0,0,0,0|0,0,1]=3 3868 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,2,0,0,0,0|0,0,1]=3 3869 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,2,0,0,0,0|0,0,2]=4 3870 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,2,0,0,0,0|0,0,2]=4 3871 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,2,0,0,0,0|1,0,1]=4 3872 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,2,0,0,0,0|1,0,1]=4 3873 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,2,0,0,0,0|1,0,1]=4 3874 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,2,0,0,0,0|1,0,1]=4 3876 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,2,0,0,0,0|1,0,1]=4 3877 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,2,0,0,0,0|1,0,0]=3 3879 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,2,0,0,0,0|1,0,0]=3 3880 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,2,0,0,0,0|1,0,0]=3 3881 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,2,0,0,0,0|1,0,1]=4 3882 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,2,0,0,0,0|1,0,1]=4 3883 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,2,0,0,0,0|1,0,1]=4 3884 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,2,0,0,0,0|1,0,1]=4 3885 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,2,0,0,0,0|1,0,1]=4 3886 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,2,0,0,0,0|1,0,1]=4 3887 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,2,0,0,0,0|1,0,1]=4 3888 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,2,0,0,0,0|0,0,1]=3 3889 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,2,0,0,0,0|1,0,1]=4 3890 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,2,0,0,0,0|0,0,2]=4 3891 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,2,0,0,0,0|0,0,2]=4 3892 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,2,0,0,0,0|1,0,1]=4 3893 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,2,0,0,0,0|1,0,1]=4 3894 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,2,0,0,0,0|1,0,1]=4 3895 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,2,0,0,0,0|1,0,1]=4 3896 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,2,0,0,0,0|1,0,1]=4 3897 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,2,0,0,0,0|1,0,1]=4 3898 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,2,0,0,0,0|1,0,1]=4 3899 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,2,0,0,0,0|1,0,1]=4 3900 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,2,0,0,0,0|1,0,1]=4 3901 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,2,0,0,0,0|1,0,1]=4 3902 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,2,0,0,0,0|1,0,0]=3 3903 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,2,0,0,0,0|1,0,0]=3 3904 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,2,0,0,0,0|1,0,1]=4 3905 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,2,0,0,0,0|1,0,1]=4 3906 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,2,0,0,0,0|0,0,1]=3 3907 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,2,0,0,0,0|0,0,1]=3 3908 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,2,0,0,0,0|0,0,2]=4 3909 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,2,0,0,0,0|0,0,2]=4 3910 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,2,0,0,0,0|1,0,1]=4 3911 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,2,0,0,0,0|1,0,1]=4 3912 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,2,0,0,0,0|1,0,1]=4 3913 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,2,0,0,0,0|1,0,1]=4 3914 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,2,0,0,0,0|1,0,0]=3 3915 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,2,0,0,0,0|1,0,0]=3 3916 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,2,0,0,0,0|1,0,0]=3 3917 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,2,0,0,0,0|1,0,0]=3 3918 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,2,0,0,0,0|1,0,0]=3 3919 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,2,0,0,0,0|1,0,0]=3 3920 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [0,2,0,0,0,0|2,0,0]=4 3921 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [0,2,0,0,0,0|2,0,0]=4 3922 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,2,0,0,0,0|0,0,2]=4 3923 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,2,0,0,0,0|0,0,2]=4 3924 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [0,2,0,0,0,0|2,0,0]=4 3925 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,2,0,0,0,0|1,0,0]=3 3926 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,2,0,0,0,0|1,0,0]=3 3927 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [0,2,0,0,0,0|2,0,0]=4 3928 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [0,2,0,0,0,0|2,0,0]=4 3929 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [0,2,0,0,0,0|0,0,2]=4 3930 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,2,0,0,0,0|2,0,0]=4 3931 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,2,0,0,0,0|1,0,0]=3 3932 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,2,0,0,0,0|1,0,0]=3 3933 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,2,0,0,0,0|2,0,0]=4 3934 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,2,0,0,0,0|2,0,0]=4 3935 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,2,0,0,0,0|0,0,2]=4 3936 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,2,0,0,0,0|0,0,2]=4 3937 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [0,2,0,0,0,0|2,0,0]=4 3938 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [0,2,0,0,0,0|2,0,0]=4 3939 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,2,0,0,0,0|2,0,0]=4 3940 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,2,0,0,0,0|2,0,0]=4 3941 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [0,2,0,0,0,0|1,0,1]=4 3942 B8R0.4 CC#CCCOCCF 34a_100000750427_100011217306 [0,2,0,0,0,0|1,0,1]=4 3943 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [0,2,0,0,0,0|0,0,1]=3 3944 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [0,2,0,0,0,0|1,0,1]=4 3945 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [0,2,0,0,0,0|1,0,1]=4 3946 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [0,2,0,0,0,0|1,0,1]=4 3947 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [0,2,0,0,0,0|1,0,1]=4 3948 B8R0.4 CC#CCNCCCF 2230a_100000685387_100011934791 [0,2,0,0,0,0|1,0,1]=4 3949 B8R0.4 CC#CCNCCCF 2230a_100015189416_100000748600 [0,2,0,0,0,0|1,0,1]=4 3950 B8R0.4 CC#CCNCCCF 34a_100000685387_100011934791 [0,2,0,0,0,0|1,0,1]=4 3951 B8R0.4 CC#CCNCCCF 34a_100015189416_100000748600 [0,2,0,0,0,0|1,0,1]=4 3952 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [0,2,0,0,0,0|0,0,1]=3 3953 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [0,2,0,0,0,0|0,0,1]=3 3954 B8R0.4 CC#CCNCCOC 2230a_100000209980_100000748600 [0,2,0,0,0,0|0,0,2]=4 3955 B8R0.4 CC#CCNCCOC 2230a_100000685387_100011201679 [0,2,0,0,0,0|0,0,2]=4 3956 B8R0.4 CC#CCNCCOC 34a_100000685387_100011201679 [0,2,0,0,0,0|0,0,2]=4 3957 B8R0.4 CC#CCOCCCBr 34a_100011217188_100000748600 [0,2,0,0,0,0|1,0,1]=4 3958 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [0,2,0,0,0,0|1,0,1]=4 3959 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [0,2,0,0,0,0|1,0,1]=4 3960 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [0,2,0,0,0,0|1,0,1]=4 3961 B8R0.4 CC#CCOCCCCl 34a_100000230001_100000748600 [0,2,0,0,0,0|1,0,1]=4 3962 B8R0.4 CC#CCOCCCF 34a_100000759539_100000748600 [0,2,0,0,0,0|1,0,1]=4 3963 B8R0.4 CC#CCOCCCF 34a_100000761923_100011934791 [0,2,0,0,0,0|1,0,1]=4 3964 B8R0.4 CC#CCOCCCN 34a_100000182051_100000748600 [0,2,0,0,0,0|1,0,1]=4 3965 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [0,2,0,0,0,0|0,0,1]=3 3966 B8R0.4 CC#CCOCCOC 34a_100000210237_100000748600 [0,2,0,0,0,0|0,0,2]=4 3967 B8R0.4 CC#CCOCCOC 34a_100000761923_100011201679 [0,2,0,0,0,0|0,0,2]=4 3968 B8R0.4 CC#CCOCCON 34a_100000700252_100000748600 [0,2,0,0,0,0|0,0,2]=4 3969 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,2,0,0,0,0|1,0,1]=4 3970 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,2,0,0,0,0|1,0,1]=4 3971 B8R0.4 CC#CCSCCCF 62a_100000748600_100011934791 [0,2,0,0,0,0|1,0,1]=4 3972 B8R0.4 CC#CCSCCCF 62a_100011934791_100000748600 [0,2,0,0,0,0|1,0,1]=4 3973 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [0,2,0,0,0,0|0,0,1]=3 3974 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [0,2,0,0,0,0|0,0,1]=3 3975 B8R0.4 CC#CCSCCOC 62a_100000233755_100000748600 [0,2,0,0,0,0|0,0,2]=4 3976 B8R0.4 CC#CCSCCOC 62a_100000748600_100000233755 [0,2,0,0,0,0|0,0,2]=4 3977 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,2,0,0,0,0|0,0,1]=3 3978 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,2,0,0,0,0|0,0,1]=3 3979 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,2,0,0,0,0|0,0,1]=3 3980 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,2,0,0,0,0|0,0,1]=3 3981 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [0,2,0,0,0,0|1,0,1]=4 3982 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,2,0,0,0,0|0,0,2]=4 3983 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,2,0,0,0,0|0,0,2]=4 3984 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,2,0,0,0,0|0,0,2]=4 3985 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [0,2,0,0,0,0|0,0,2]=4 3986 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [0,2,0,0,0,0|0,0,2]=4 3987 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,2,0,0,0,0|1,0,1]=4 3989 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [0,2,0,0,0,0|1,0,1]=4 3991 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,2,0,0,0,0|1,0,1]=4 3992 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,2,0,0,0,0|0,0,1]=3 3993 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,2,0,0,0,0|0,0,1]=3 3994 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [0,2,0,0,0,0|1,0,1]=4 3995 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [0,2,0,0,0,0|1,0,1]=4 3996 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [0,2,0,0,0,0|1,0,1]=4 3997 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [0,2,0,0,0,0|1,0,1]=4 3998 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [0,2,0,0,0,0|1,0,1]=4 3999 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [0,2,0,0,0,0|0,0,1]=3 4000 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,2,0,0,0,0|1,0,1]=4 4002 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [0,2,0,0,0,0|1,0,1]=4 4003 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [0,2,0,0,0,0|1,0,1]=4 4004 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,2,0,0,0,0|0,0,1]=3 4005 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,2,0,0,0,0|0,0,1]=3 4006 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [0,2,0,0,0,0|0,0,2]=4 4007 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [0,2,0,0,0,0|0,0,2]=4 4008 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,2,0,0,0,0|0,0,2]=4 4009 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [0,2,0,0,0,0|0,0,2]=4 4010 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,2,0,0,0,0|1,0,1]=4 4011 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,2,0,0,0,0|1,0,1]=4 4012 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [0,2,0,0,0,0|1,0,1]=4 4013 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [0,2,0,0,0,0|1,0,1]=4 4014 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,2,0,0,0,0|0,0,2]=4 4015 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [0,2,0,0,0,0|1,0,1]=4 4016 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,2,0,0,0,0|1,0,1]=4 4017 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,2,0,0,0,0|1,0,1]=4 4018 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [0,2,0,0,0,0|1,0,1]=4 4019 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [0,2,0,0,0,0|1,0,1]=4 4020 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,2,0,0,0,0|1,0,1]=4 4021 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [0,2,0,0,0,0|0,0,2]=4 4022 B8R0.4 CC=CCOCCON 34a_100000700252_100000070051 [0,2,0,0,0,0|0,0,2]=4 4023 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,2,0,0,0,0|1,0,1]=4 4024 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,2,0,0,0,0|1,0,1]=4 4025 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,2,0,0,0,0|1,0,1]=4 4026 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,2,0,0,0,0|1,0,1]=4 4027 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,2,0,0,0,0|0,0,1]=3 4028 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,2,0,0,0,0|0,0,1]=3 4029 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,2,0,0,0,0|0,0,2]=4 4030 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,2,0,0,0,0|0,0,2]=4 4031 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,2,0,0,0,0|1,0,1]=4 4032 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [0,2,0,0,0,0|0,0,2]=4 4033 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [0,2,0,0,0,0|0,0,2]=4 4034 B8R0.4 CCC#CCCOCF 34a_100000036655_100015361967 [0,2,0,0,0,0|0,0,2]=4 4035 B8R0.4 CCC#CCCOCF 7a_100000036655_100015361967 [0,2,0,0,0,0|0,0,2]=4 4036 B8R0.4 CCC#CCNCCF 34a_100000724931_100009813939 [0,2,0,0,0,0|1,0,1]=4 4037 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [0,2,0,0,0,0|0,0,1]=3 4038 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [0,2,0,0,0,0|0,0,1]=3 4039 B8R0.4 CCC#CCOCCBr 34a_100000211926_100009813939 [0,2,0,0,0,0|1,0,1]=4 4040 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [0,2,0,0,0,0|1,0,1]=4 4041 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [0,2,0,0,0,0|1,0,1]=4 4042 B8R0.4 CCC#CCOCCF 34a_100000032950_100011217306 [0,2,0,0,0,0|1,0,1]=4 4043 B8R0.4 CCC#CCOCCN 34a_100000210304_100009813939 [0,2,0,0,0,0|1,0,1]=4 4044 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [0,2,0,0,0,0|0,0,1]=3 4045 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [0,2,0,0,0,0|1,0,1]=4 4046 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [0,2,0,0,0,0|1,0,1]=4 4047 B8R0.4 CCC#CCSCCF 62a_100009813939_100011217306 [0,2,0,0,0,0|1,0,1]=4 4048 B8R0.4 CCC#CCSCCF 62a_100011217306_100009813939 [0,2,0,0,0,0|1,0,1]=4 4049 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [0,2,0,0,0,0|0,0,1]=3 4050 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [0,2,0,0,0,0|0,0,1]=3 4051 B8R0.4 CCC#CCSCOC 62a_100000766300_100009813939 [0,2,0,0,0,0|0,0,2]=4 4052 B8R0.4 CCC#CCSCOC 62a_100009813939_100000766300 [0,2,0,0,0,0|0,0,2]=4 4053 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,2,0,0,0,0|0,0,2]=4 4054 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,2,0,0,0,0|0,0,2]=4 4055 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [0,2,0,0,0,0|0,0,2]=4 4056 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [0,2,0,0,0,0|0,0,2]=4 4057 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [0,2,0,0,0,0|1,0,1]=4 4058 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [0,2,0,0,0,0|0,0,1]=3 4059 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [0,2,0,0,0,0|0,0,1]=3 4060 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [0,2,0,0,0,0|0,0,1]=3 4061 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [0,2,0,0,0,0|0,0,1]=3 4062 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [0,2,0,0,0,0|0,0,2]=4 4063 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [0,2,0,0,0,0|0,0,2]=4 4064 B8R0.4 CCCC#CCOCF 34a_100000034806_100015361967 [0,2,0,0,0,0|0,0,2]=4 4065 B8R0.4 CCCC#CCOCF 7a_100000034806_100015361967 [0,2,0,0,0,0|0,0,2]=4 4066 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,2,0,0,0,0|0,0,1]=3 4067 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,2,0,0,0,0|0,0,1]=3 4068 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,2,0,0,0,0|0,0,1]=3 4069 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,2,0,0,0,0|0,0,1]=3 4070 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [0,2,0,0,0,0|1,0,1]=4 4071 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,2,0,0,0,0|0,0,1]=3 4072 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [0,2,0,0,0,0|0,0,1]=3 4073 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [0,2,0,0,0,0|0,0,1]=3 4074 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [0,2,0,0,0,0|0,0,1]=3 4075 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [0,2,0,0,0,0|0,0,1]=3 4076 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [0,2,0,0,0,0|1,0,1]=4 4077 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,2,0,0,0,0|1,0,0]=3 4078 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,2,0,0,0,0|1,0,0]=3 4079 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,2,0,0,0,0|1,0,0]=3 4080 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,2,0,0,0,0|1,0,0]=3 4081 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,2,0,0,0,0|1,0,0]=3 4082 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,2,0,0,0,0|0,0,0]=2 4083 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,2,0,0,0,0|0,0,0]=2 4084 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,2,0,0,0,0|0,0,0]=2 4085 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,2,0,0,0,0|0,0,0]=2 4086 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,2,0,0,0,0|0,0,0]=2 4087 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,2,0,0,0,0|0,1,0]=3 4088 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,2,0,0,0,0|0,1,0]=3 4089 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,2,0,0,0,0|0,1,0]=3 4090 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,2,0,0,0,0|0,1,0]=3 4091 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,2,0,0,0,0|1,0,0]=3 4092 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,2,0,0,0,0|1,0,0]=3 4093 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,2,0,0,0,0|0,0,0]=2 4094 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,2,0,0,0,0|0,0,0]=2 4095 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,2,0,0,0,0|0,0,0]=2 4096 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,2,0,0,0,0|0,0,0]=2 4097 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,2,0,0,0,0|0,0,0]=2 4098 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,2,0,0,0,0|0,1,0]=3 4099 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,2,0,0,0,0|0,1,0]=3 4100 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,2,0,0,0,0|0,1,0]=3 4101 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,2,0,0,0,0|0,1,0]=3 4102 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [0,2,0,0,0,0|1,0,0]=3 4103 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,2,0,0,0,0|0,0,1]=3 4104 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,2,0,0,0,0|1,0,0]=3 4105 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,2,0,0,0,0|1,0,0]=3 4106 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,2,0,0,0,0|1,0,0]=3 4107 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,2,0,0,0,0|0,0,0]=2 4108 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,2,0,0,0,0|0,0,0]=2 4109 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,2,0,0,0,0|0,0,0]=2 4110 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,2,0,0,0,0|0,0,0]=2 4111 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,2,0,0,0,0|0,1,0]=3 4112 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [0,2,0,0,0,0|1,0,0]=3 4113 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,2,0,0,0,0|0,0,1]=3 4114 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,2,0,0,0,0|0,0,1]=3 4115 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,2,0,0,0,0|1,0,0]=3 4116 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,2,0,0,0,0|1,0,0]=3 4117 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,2,0,0,0,0|1,0,0]=3 4118 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,2,0,0,0,0|1,0,0]=3 4119 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,2,0,0,0,0|1,0,0]=3 4120 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,2,0,0,0,0|1,0,0]=3 4121 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,2,0,0,0,0|1,0,0]=3 4122 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,2,0,0,0,0|0,0,0]=2 4123 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,2,0,0,0,0|0,0,0]=2 4124 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,2,0,0,0,0|0,1,0]=3 4125 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,2,0,0,0,0|1,0,0]=3 4126 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,2,0,0,0,0|1,0,0]=3 4127 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,2,0,0,0,0|0,0,1]=3 4128 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,2,0,0,0,0|0,0,1]=3 4129 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,2,0,0,0,0|1,0,0]=3 4130 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,2,0,0,0,0|1,0,0]=3 4131 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,2,0,0,0,0|1,0,0]=3 4132 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,2,0,0,0,0|1,0,0]=3 4133 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,2,0,0,0,0|0,0,0]=2 4134 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,2,0,0,0,0|0,0,0]=2 4135 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,2,0,0,0,0|0,0,0]=2 4136 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,2,0,0,0,0|0,0,0]=2 4137 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,2,0,0,0,0|0,1,0]=3 4138 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,2,0,0,0,0|0,1,0]=3 4139 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,2,0,0,0,0|1,0,0]=3 4140 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,2,0,0,0,0|1,0,0]=3 4141 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,2,0,0,0,0|1,0,0]=3 4142 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,2,0,0,0,0|1,0,0]=3 4143 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,2,0,0,0,0|1,0,0]=3 4144 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,2,0,0,0,0|1,0,0]=3 4145 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,2,0,0,0,0|1,0,0]=3 4146 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,2,0,0,0,0|1,0,0]=3 4147 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,2,0,0,0,0|0,0,0]=2 4148 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,2,0,0,0,0|0,0,0]=2 4149 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,2,0,0,0,0|0,0,0]=2 4150 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,2,0,0,0,0|0,0,0]=2 4151 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,2,0,0,0,0|0,0,0]=2 4152 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,2,0,0,0,0|0,1,0]=3 4153 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,2,0,0,0,0|0,1,0]=3 4154 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,2,0,0,0,0|0,1,0]=3 4155 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [0,2,0,0,0,0|1,0,0]=3 4156 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,2,0,0,0,0|1,0,0]=3 4157 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,2,0,0,0,0|1,0,0]=3 4158 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,2,0,0,0,0|1,0,0]=3 4159 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,2,0,0,0,0|1,0,0]=3 4160 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,2,0,0,0,0|1,0,0]=3 4161 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,2,0,0,0,0|1,0,0]=3 4162 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,2,0,0,0,0|1,0,0]=3 4163 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,2,0,0,0,0|1,0,0]=3 4164 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,2,0,0,0,0|0,0,0]=2 4165 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,2,0,0,0,0|0,0,0]=2 4166 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,2,0,0,0,0|1,0,0]=3 4167 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,2,0,0,0,0|1,0,0]=3 4168 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,2,0,0,0,0|1,0,0]=3 4169 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,2,0,0,0,0|0,0,0]=2 4170 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,2,0,0,0,0|0,0,0]=2 4171 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,2,0,0,0,0|0,0,0]=2 4172 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,2,0,0,0,0|0,0,0]=2 4173 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,2,0,0,0,0|0,0,0]=2 4174 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,2,0,0,0,0|0,0,0]=2 4175 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,2,0,0,0,0|0,0,0]=2 4176 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,2,0,0,0,0|0,0,0]=2 4177 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,2,0,0,0,0|0,0,0]=2 4178 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,2,0,0,0,0|0,1,0]=3 4179 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,2,0,0,0,0|0,1,0]=3 4180 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,2,0,0,0,0|0,1,0]=3 4181 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,2,0,0,0,0|0,1,0]=3 4182 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,2,0,0,0,0|0,1,0]=3 4183 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,2,0,0,0,0|0,1,0]=3 4184 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,2,0,0,0,0|0,1,0]=3 4185 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,2,0,0,0,0|0,1,0]=3 4186 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,2,0,0,0,0|1,0,0]=3 4187 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,2,0,0,0,0|1,0,0]=3 4188 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,2,0,0,0,0|1,0,0]=3 4189 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,2,0,0,0,0|1,0,0]=3 4190 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,2,0,0,0,0|1,0,0]=3 4191 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,2,0,0,0,0|1,0,0]=3 4192 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,2,0,0,0,0|1,0,0]=3 4193 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,2,0,0,0,0|1,0,0]=3 4194 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,2,0,0,0,0|1,0,0]=3 4195 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,2,0,0,0,0|1,0,0]=3 4196 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,2,0,0,0,0|1,0,0]=3 4197 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,2,0,0,0,0|0,0,0]=2 4198 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,2,0,0,0,0|0,0,0]=2 4199 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,2,0,0,0,0|1,0,0]=3 4200 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,2,0,0,0,0|1,0,0]=3 4201 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,2,0,0,0,0|0,0,0]=2 4202 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,2,0,0,0,0|0,0,0]=2 4203 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,2,0,0,0,0|0,0,0]=2 4204 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,2,0,0,0,0|0,0,0]=2 4205 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,2,0,0,0,0|0,0,0]=2 4206 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,2,0,0,0,0|0,0,0]=2 4207 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,2,0,0,0,0|0,1,0]=3 4208 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,2,0,0,0,0|0,1,0]=3 4209 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,2,0,0,0,0|1,0,0]=3 4210 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,2,0,0,0,0|1,0,0]=3 4211 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,2,0,0,0,0|1,0,1]=4 4212 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,2,0,0,0,0|1,0,1]=4 4213 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,2,0,0,0,0|0,0,0]=2 4214 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,2,0,0,0,0|0,0,0]=2 4215 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,2,0,0,0,0|0,0,0]=2 4216 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,2,0,0,0,0|0,1,0]=3 4217 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,2,0,0,0,0|1,0,0]=3 4218 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,2,0,0,0,0|1,0,0]=3 4219 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,2,0,0,0,0|1,0,0]=3 4220 B8R0.4 CCCOCC#CCCl 34a_200000047223_100000210303 [0,2,0,0,0,0|1,0,1]=4 4221 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [0,2,0,0,0,0|0,0,1]=3 4222 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,2,0,0,0,0|1,0,0]=3 4223 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,2,0,0,0,0|1,0,0]=3 4224 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,2,0,0,0,0|1,0,0]=3 4225 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,2,0,0,0,0|1,0,0]=3 4226 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,2,0,0,0,0|1,0,0]=3 4227 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,2,0,0,0,0|1,0,0]=3 4228 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,2,0,0,0,0|1,0,0]=3 4229 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,2,0,0,0,0|1,0,0]=3 4230 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,2,0,0,0,0|0,0,0]=2 4231 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,2,0,0,0,0|1,0,0]=3 4232 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,2,0,0,0,0|1,0,0]=3 4233 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,2,0,0,0,0|1,0,0]=3 4234 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,2,0,0,0,0|1,0,0]=3 4235 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,2,0,0,0,0|1,0,0]=3 4236 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,2,0,0,0,0|0,0,0]=2 4237 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,2,0,0,0,0|0,0,0]=2 4238 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,2,0,0,0,0|0,1,0]=3 4239 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,2,0,0,0,0|0,1,0]=3 4240 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,2,0,0,0,0|1,0,0]=3 4241 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,2,0,0,0,0|1,0,0]=3 4242 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,2,0,0,0,0|1,0,0]=3 4243 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,2,0,0,0,0|1,0,0]=3 4244 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,2,0,0,0,0|1,0,0]=3 4245 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,2,0,0,0,0|1,0,0]=3 4246 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,2,0,0,0,0|1,0,0]=3 4247 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,2,0,0,0,0|1,0,0]=3 4248 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,2,0,0,0,0|1,0,0]=3 4249 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,2,0,0,0,0|1,0,0]=3 4250 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,2,0,0,0,0|1,0,0]=3 4251 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,2,0,0,0,0|1,0,0]=3 4252 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,2,0,0,0,0|1,0,0]=3 4253 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,2,0,0,0,0|1,0,0]=3 4254 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,2,0,0,0,0|1,0,0]=3 4255 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,2,0,0,0,0|1,0,0]=3 4256 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,2,0,0,0,0|1,0,0]=3 4257 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,2,0,0,0,0|1,0,0]=3 4258 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,2,0,0,0,0|1,0,0]=3 4259 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,2,0,0,0,0|0,0,1]=3 4260 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,2,0,0,0,0|0,0,1]=3 4261 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,2,0,0,0,0|1,0,0]=3 4262 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,2,0,0,0,0|1,0,0]=3 4263 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,2,0,0,0,0|0,0,1]=3 4264 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,2,0,0,0,0|0,0,1]=3 4265 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,2,0,0,0,0|1,0,0]=3 4266 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,2,0,0,0,0|1,0,0]=3 4267 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,2,0,0,0,0|0,0,0]=2 4268 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,2,0,0,0,0|0,0,0]=2 4269 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,2,0,0,0,0|0,0,0]=2 4270 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,2,0,0,0,0|0,0,0]=2 4271 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,2,0,0,0,0|1,0,0]=3 4272 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,2,0,0,0,0|1,0,0]=3 4273 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,2,0,0,0,0|1,0,0]=3 4274 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,2,0,0,0,0|1,0,0]=3 4275 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,2,0,0,0,0|1,0,0]=3 4276 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,2,0,0,0,0|1,0,0]=3 4277 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,2,0,0,0,0|1,0,0]=3 4278 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,2,0,0,0,0|1,0,1]=4 4279 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,2,0,0,0,0|1,0,1]=4 4280 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,2,0,0,0,0|1,0,0]=3 4281 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,2,0,0,0,0|1,0,0]=3 4282 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [0,2,0,0,0,0|1,0,0]=3 4283 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,2,0,0,0,0|0,0,1]=3 4284 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,2,0,0,0,0|1,0,0]=3 4285 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,2,0,0,0,0|0,0,0]=2 4286 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,2,0,0,0,0|0,0,0]=2 4287 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,2,0,0,0,0|0,0,0]=2 4288 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,2,0,0,0,0|0,0,0]=2 4289 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,2,0,0,0,0|2,0,0]=4 4290 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,2,0,0,0,0|1,0,0]=3 4291 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,2,0,0,0,0|1,0,0]=3 4292 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,2,0,0,0,0|1,0,0]=3 4293 B8R0.4 CCNCCOCC#N 2230a_100015525214_200000047693 [0,2,0,0,0,0|1,0,1]=4 4294 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,2,0,0,0,0|0,0,0]=2 4295 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,2,0,0,0,0|0,0,0]=2 4296 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,2,0,0,0,0|0,0,0]=2 4297 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,2,0,0,0,0|0,0,0]=2 4298 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [0,2,0,0,0,0|1,0,0]=3 4299 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,2,0,0,0,0|1,0,0]=3 4300 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,2,0,0,0,0|1,0,0]=3 4301 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,2,0,0,0,0|1,0,0]=3 4302 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,2,0,0,0,0|1,0,0]=3 4303 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,2,0,0,0,0|1,0,0]=3 4304 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,2,0,0,0,0|1,0,0]=3 4305 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,2,0,0,0,0|1,0,0]=3 4306 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,2,0,0,0,0|1,0,0]=3 4307 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,2,0,0,0,0|0,0,0]=2 4308 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,2,0,0,0,0|0,0,0]=2 4309 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,2,0,0,0,0|0,0,0]=2 4310 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,2,0,0,0,0|0,1,0]=3 4311 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,2,0,0,0,0|0,1,0]=3 4312 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,2,0,0,0,0|1,0,0]=3 4313 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,2,0,0,0,0|1,0,0]=3 4314 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,2,0,0,0,0|1,0,0]=3 4315 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,2,0,0,0,0|1,0,0]=3 4316 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,2,0,0,0,0|1,0,0]=3 4317 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,2,0,0,0,0|1,0,0]=3 4318 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,2,0,0,0,0|1,0,0]=3 4319 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,2,0,0,0,0|1,0,0]=3 4320 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,2,0,0,0,0|1,0,0]=3 4321 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,2,0,0,0,0|1,0,0]=3 4322 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,2,0,0,0,0|1,0,0]=3 4323 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,2,0,0,0,0|1,0,0]=3 4324 B8R0.4 CCOCCNCC#N 2230a_102516460346_100011215382 [0,2,0,0,0,0|1,0,1]=4 4325 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,2,0,0,0,0|0,0,2]=4 4326 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,2,0,0,0,0|0,0,2]=4 4327 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,2,0,0,0,0|1,0,0]=3 4328 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,2,0,0,0,0|1,0,0]=3 4329 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,2,0,0,0,0|1,0,0]=3 4330 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,2,0,0,0,0|0,0,0]=2 4331 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,2,0,0,0,0|0,0,0]=2 4332 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,2,0,0,0,0|0,0,0]=2 4333 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,2,0,0,0,0|0,0,0]=2 4334 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [0,2,0,0,0,0|1,0,0]=3 4335 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,2,0,0,0,0|1,1,0]=4 4336 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,2,0,0,0,0|1,1,0]=4 4337 B8R0.4 CCOCCOCC#N 7a_100000210136_100011215382 [0,2,0,0,0,0|1,0,1]=4 4338 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,2,0,0,0,0|0,0,2]=4 4339 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,2,0,0,0,0|0,0,2]=4 4340 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,2,0,0,0,0|1,0,0]=3 4341 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,2,0,0,0,0|1,0,0]=3 4342 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,2,0,0,0,0|1,0,0]=3 4343 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,2,0,0,0,0|1,0,0]=3 4344 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,2,0,0,0,0|1,0,0]=3 4345 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,2,0,0,0,0|1,0,0]=3 4346 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,2,0,0,0,0|1,0,0]=3 4347 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,2,0,0,0,0|1,0,0]=3 4348 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,2,0,0,0,0|1,0,0]=3 4349 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,2,0,0,0,0|1,0,0]=3 4350 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,2,0,0,0,0|1,0,0]=3 4351 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,2,0,0,0,0|1,0,0]=3 4352 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,2,0,0,0,0|1,0,0]=3 4353 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,2,0,0,0,0|0,0,0]=2 4354 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,2,0,0,0,0|0,0,0]=2 4355 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,2,0,0,0,0|0,0,0]=2 4356 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,2,0,0,0,0|1,1,0]=4 4357 B8R0.4 CCOCCSCC#N 62a_100000210147_100011215382 [0,2,0,0,0,0|1,0,1]=4 4358 B8R0.4 CCOCCSCC#N 62a_100011215382_100011215890 [0,2,0,0,0,0|1,0,1]=4 4359 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,2,0,0,0,0|0,0,2]=4 4360 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,2,0,0,0,0|0,0,2]=4 4361 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,2,0,0,0,0|1,0,0]=3 4362 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,2,0,0,0,0|1,0,0]=3 4363 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,2,0,0,0,0|0,0,0]=2 4364 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,2,0,0,0,0|0,0,0]=2 4365 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,2,0,0,0,0|1,0,0]=3 4366 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,2,0,0,0,0|1,0,0]=3 4367 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,2,0,0,0,0|1,1,0]=4 4368 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,2,0,0,0,0|1,1,0]=4 4369 B8R0.4 CCOCSCCC#N 62a_100000739092_100011215226 [0,2,0,0,0,0|1,0,1]=4 4370 B8R0.4 CCOCSCCC#N 62a_100011215226_100000739092 [0,2,0,0,0,0|1,0,1]=4 4371 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,2,0,0,0,0|1,0,0]=3 4372 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,2,0,0,0,0|1,0,0]=3 4373 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,2,0,0,0,0|0,0,0]=2 4374 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,2,0,0,0,0|0,0,0]=2 4375 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,2,0,0,0,0|1,0,0]=3 4376 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,2,0,0,0,0|1,0,0]=3 4377 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,2,0,0,0,0|1,1,0]=4 4378 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,2,0,0,0,0|1,1,0]=4 4379 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [0,2,0,0,0,0|2,0,0]=4 4380 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,2,0,0,0,0|1,0,0]=3 4381 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,2,0,0,0,0|1,0,0]=3 4382 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,2,0,0,0,0|0,0,1]=3 4383 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,2,0,0,0,0|0,0,1]=3 4384 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,2,0,0,0,0|1,0,0]=3 4385 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,2,0,0,0,0|1,0,0]=3 4386 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,2,0,0,0,0|0,0,0]=2 4387 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,2,0,0,0,0|0,0,0]=2 4388 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,2,0,0,0,0|0,0,0]=2 4389 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,2,0,0,0,0|0,0,0]=2 4390 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,2,0,0,0,0|1,0,0]=3 4391 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,2,0,0,0,0|1,0,0]=3 4392 B8R0.4 CCSCCNCC#N 2230a_100000106463_100011215382 [0,2,0,0,0,0|1,0,1]=4 4393 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,2,0,0,0,0|0,0,2]=4 4394 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,2,0,0,0,0|1,0,0]=3 4395 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,2,0,0,0,0|1,0,0]=3 4396 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,2,0,0,0,0|0,0,0]=2 4397 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,2,0,0,0,0|0,0,0]=2 4398 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,2,0,0,0,0|0,0,0]=2 4399 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,2,0,0,0,0|1,0,0]=3 4400 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,2,0,0,0,0|1,1,0]=4 4401 B8R0.4 CCSCCOCC#N 62a_100000210202_200000047693 [0,2,0,0,0,0|1,0,1]=4 4402 B8R0.4 CCSCCOCC#N 62a_200000047693_100000210202 [0,2,0,0,0,0|1,0,1]=4 4403 B8R0.4 CCSCCOCC#N 7a_100000212035_100011215382 [0,2,0,0,0,0|1,0,1]=4 4404 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,2,0,0,0,0|0,0,2]=4 4405 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,2,0,0,0,0|0,0,2]=4 4406 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [0,2,0,0,0,0|1,0,0]=3 4407 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [0,2,0,0,0,0|1,0,0]=3 4408 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [0,2,0,0,0,0|1,0,0]=3 4409 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [0,2,0,0,0,0|1,0,0]=3 4410 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,2,0,0,0,0|0,0,0]=2 4411 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,2,0,0,0,0|0,0,0]=2 4412 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,2,0,0,0,0|0,0,0]=2 4413 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,2,0,0,0,0|0,0,0]=2 4414 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,2,0,0,0,0|1,1,0]=4 4415 B8R0.4 CCSCCSCC#N 62a_100000757381_100011215382 [0,2,0,0,0,0|1,0,1]=4 4416 B8R0.4 CCSCCSCC#N 62a_100011215382_100000757381 [0,2,0,0,0,0|1,0,1]=4 4417 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,2,0,0,0,0|0,0,2]=4 4418 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,2,0,0,0,0|0,0,2]=4 4419 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,2,0,0,0,0|1,0,0]=3 4420 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,2,0,0,0,0|1,0,0]=3 4421 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,2,0,0,0,0|0,0,0]=2 4422 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,2,0,0,0,0|0,0,0]=2 4423 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,2,0,0,0,0|1,0,0]=3 4424 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,2,0,0,0,0|1,0,0]=3 4425 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,2,0,0,0,0|1,1,0]=4 4426 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,2,0,0,0,0|1,1,0]=4 4427 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,2,0,0,0,0|1,0,0]=3 4428 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,2,0,0,0,0|1,0,0]=3 4429 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,2,0,0,0,0|1,0,0]=3 4430 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,2,0,0,0,0|1,0,0]=3 4431 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,2,0,0,0,0|0,0,1]=3 4432 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,2,0,0,0,0|0,0,1]=3 4433 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,2,0,0,0,0|1,0,0]=3 4434 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,2,0,0,0,0|1,0,0]=3 4435 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,2,0,0,0,0|1,0,0]=3 4436 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,2,0,0,0,0|0,0,0]=2 4437 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,2,0,0,0,0|0,0,0]=2 4438 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,2,0,0,0,0|0,0,0]=2 4439 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,2,0,0,0,0|0,0,0]=2 4440 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,2,0,0,0,0|0,0,0]=2 4441 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,2,0,0,0,0|0,0,0]=2 4442 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,2,0,0,0,0|0,0,0]=2 4443 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,2,0,0,0,0|0,0,0]=2 4444 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,2,0,0,0,0|0,0,0]=2 4445 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,2,0,0,0,0|2,0,0]=4 4446 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,2,0,0,0,0|0,0,2]=4 4447 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [0,2,0,0,0,0|1,0,0]=3 4448 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,2,0,0,0,0|0,0,0]=2 4449 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,2,0,0,0,0|1,1,0]=4 4450 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [0,2,0,0,0,0|1,0,0]=3 4451 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [0,2,0,0,0,0|1,0,0]=3 4452 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [0,2,0,0,0,0|1,0,0]=3 4453 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [0,2,0,0,0,0|1,0,0]=3 4454 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [0,2,0,0,0,0|1,0,0]=3 4455 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [0,2,0,0,0,0|1,0,0]=3 4456 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [0,2,0,0,0,0|1,0,0]=3 4457 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,2,0,0,0,0|0,0,0]=2 4458 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,2,0,0,0,0|0,0,0]=2 4459 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,2,0,0,0,0|0,0,0]=2 4460 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,2,0,0,0,0|0,0,0]=2 4461 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,2,0,0,0,0|0,0,0]=2 4462 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,2,0,0,0,0|0,0,0]=2 4463 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,2,0,0,0,0|0,0,0]=2 4464 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,2,0,0,0,0|0,0,0]=2 4465 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,2,0,0,0,0|0,0,0]=2 4466 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,2,0,0,0,0|0,0,0]=2 4467 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,2,0,0,0,0|0,0,0]=2 4468 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,2,0,0,0,0|1,0,0]=3 4469 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,2,0,0,0,0|1,0,0]=3 4470 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,2,0,0,0,0|1,0,0]=3 4471 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,2,0,0,0,0|0,0,2]=4 4472 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,2,0,0,0,0|1,0,0]=3 4473 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,2,0,0,0,0|1,0,0]=3 4474 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,2,0,0,0,0|0,0,0]=2 4475 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,2,0,0,0,0|0,0,0]=2 4476 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,2,0,0,0,0|0,0,0]=2 4477 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,2,0,0,0,0|1,0,0]=3 4478 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,2,0,0,0,0|0,0,2]=4 4479 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,2,0,0,0,0|1,0,0]=3 4480 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,2,0,0,0,0|1,0,0]=3 4481 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,2,0,0,0,0|1,0,0]=3 4482 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,2,0,0,0,0|0,0,0]=2 4483 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,2,0,0,0,0|1,0,0]=3 4484 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,2,0,0,0,0|1,0,1]=4 4485 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,2,0,0,0,0|1,0,1]=4 4486 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,2,0,0,0,0|0,0,2]=4 4487 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,2,0,0,0,0|0,0,2]=4 4488 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,2,0,0,0,0|1,0,0]=3 4489 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,2,0,0,0,0|1,0,0]=3 4490 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,2,0,0,0,0|0,0,0]=2 4491 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,2,0,0,0,0|0,0,0]=2 4492 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,2,0,0,0,0|1,0,0]=3 4493 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,2,0,0,0,0|1,0,0]=3 4494 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,2,0,0,0,0|1,0,0]=3 4495 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,2,0,0,0,0|1,0,0]=3 4496 B8R0.4 COCCNCCC#N 2230a_100000209980_100011215226 [0,2,0,0,0,0|1,0,1]=4 4497 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,2,0,0,0,0|1,0,0]=3 4498 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,2,0,0,0,0|1,0,0]=3 4499 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,2,0,0,0,0|1,0,0]=3 4500 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,2,0,0,0,0|0,0,0]=2 4501 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [0,2,0,0,0,0|1,0,0]=3 4502 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,2,0,0,0,0|1,0,0]=3 4503 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,2,0,0,0,0|1,0,0]=3 4504 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [0,2,0,0,0,0|1,0,0]=3 4505 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,2,0,0,0,0|1,0,0]=3 4506 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [0,2,0,0,0,0|1,0,0]=3 4507 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [0,2,0,0,0,0|1,0,0]=3 4508 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,2,0,0,0,0|1,0,0]=3 4509 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,2,0,0,0,0|0,0,0]=2 4510 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [0,2,0,0,0,0|1,0,0]=3 4511 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [0,2,0,0,0,0|1,0,0]=3 4512 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [0,2,0,0,0,0|1,0,0]=3 4513 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [0,2,0,0,0,0|1,0,0]=3 4514 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [0,2,0,0,0,0|1,0,0]=3 4515 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [0,2,0,0,0,0|1,0,0]=3 4516 B8R0.4 COCCOCCON 34a_100000700252_100011201679 [0,2,0,0,0,0|1,0,0]=3 4517 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [0,2,0,0,0,0|1,0,0]=3 4518 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [0,2,0,0,0,0|1,0,0]=3 4519 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,2,0,0,0,0|1,0,0]=3 4520 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,2,0,0,0,0|1,0,0]=3 4521 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,2,0,0,0,0|1,0,0]=3 4522 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,2,0,0,0,0|1,0,0]=3 4523 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,2,0,0,0,0|1,0,0]=3 4524 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,2,0,0,0,0|1,0,0]=3 4525 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,2,0,0,0,0|1,0,0]=3 4526 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [0,2,0,0,0,0|2,0,0]=4 4527 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [0,2,0,0,0,0|2,0,0]=4 4528 B8R0.4 COCCSCCC#N 62a_100000233755_100011215226 [0,2,0,0,0,0|1,0,1]=4 4529 B8R0.4 COCCSCCC#N 62a_100011215226_100000233755 [0,2,0,0,0,0|1,0,1]=4 4530 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,2,0,0,0,0|1,0,0]=3 4531 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,2,0,0,0,0|1,0,0]=3 4532 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,2,0,0,0,0|0,0,0]=2 4533 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,2,0,0,0,0|0,0,0]=2 4534 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,2,0,0,0,0|1,0,0]=3 4535 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,2,0,0,0,0|1,0,0]=3 4536 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,2,0,0,0,0|1,0,0]=3 4537 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,2,0,0,0,0|0,0,0]=2 4538 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,2,0,0,0,0|1,0,0]=3 4539 B8R0.4 COCSCC#CCO 62a_100000766300_200000047223 [0,2,0,0,0,0|0,0,2]=4 4540 B8R0.4 COCSCC#CCO 62a_200000047223_100000766300 [0,2,0,0,0,0|0,0,2]=4 4541 B8R0.4 COCSCCCC#N 62a_100000687738_100000766300 [0,2,0,0,0,0|1,0,1]=4 4542 B8R0.4 COCSCCCC#N 62a_100000766300_100000687738 [0,2,0,0,0,0|1,0,1]=4 4543 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,2,0,0,0,0|0,0,2]=4 4544 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,2,0,0,0,0|0,0,2]=4 4545 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,2,0,0,0,0|1,0,0]=3 4546 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,2,0,0,0,0|1,0,0]=3 4547 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,2,0,0,0,0|0,0,0]=2 4548 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,2,0,0,0,0|0,0,0]=2 4549 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,2,0,0,0,0|1,0,0]=3 4550 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,2,0,0,0,0|1,0,0]=3 4551 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,2,0,0,0,0|0,0,1]=3 4552 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,2,0,0,0,0|0,0,1]=3 4553 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,2,0,0,0,0|0,1,0]=3 4554 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,2,0,0,0,0|0,1,0]=3 4555 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,2,0,0,0,0|0,0,0]=2 4556 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,2,0,0,0,0|0,0,0]=2 4557 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,2,0,0,0,0|1,0,0]=3 4558 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,2,0,0,0,0|1,0,0]=3 4559 B8R0.4 CSCCCNCC#N 2230a_100000749238_100011215382 [0,2,0,0,0,0|1,0,1]=4 4560 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,2,0,0,0,0|0,0,2]=4 4561 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,2,0,0,0,0|1,0,0]=3 4562 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,2,0,0,0,0|0,0,0]=2 4563 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,2,0,0,0,0|1,1,0]=4 4564 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [0,2,0,0,0,0|1,0,1]=4 4565 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,2,0,0,0,0|0,0,2]=4 4566 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,2,0,0,0,0|0,0,2]=4 4567 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,2,0,0,0,0|1,0,0]=3 4568 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,2,0,0,0,0|1,0,0]=3 4569 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,2,0,0,0,0|0,0,0]=2 4570 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,2,0,0,0,0|0,0,0]=2 4571 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,2,0,0,0,0|1,1,0]=4 4572 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,2,0,0,0,0|1,0,1]=4 4573 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,2,0,0,0,0|1,0,0]=3 4574 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,2,0,0,0,0|1,0,0]=3 4575 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,2,0,0,0,0|1,0,0]=3 4576 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,2,0,0,0,0|0,0,0]=2 4577 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,2,0,0,0,0|1,1,0]=4 4578 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [0,2,0,0,0,0|1,0,1]=4 4579 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,2,0,0,0,0|1,0,0]=3 4580 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,2,0,0,0,0|1,0,0]=3 4581 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,2,0,0,0,0|1,0,0]=3 4582 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,2,0,0,0,0|1,0,0]=3 4583 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,2,0,0,0,0|1,0,0]=3 4584 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,2,0,0,0,0|1,0,0]=3 4585 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,2,0,0,0,0|0,0,0]=2 4586 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,2,0,0,0,0|0,0,0]=2 4587 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,2,0,0,0,0|1,0,0]=3 4588 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,2,0,0,0,0|1,1,0]=4 4589 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,2,0,0,0,0|1,1,0]=4 4590 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,2,0,0,0,0|1,0,1]=4 4591 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,2,0,0,0,0|1,0,1]=4 4592 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,2,0,0,0,0|1,0,0]=3 4593 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,2,0,0,0,0|1,0,0]=3 4594 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,2,0,0,0,0|0,0,0]=2 4595 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,2,0,0,0,0|0,0,0]=2 4596 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,2,0,0,0,0|1,1,0]=4 4597 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,2,0,0,0,0|0,0,0]=2 4598 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,2,0,0,0,0|0,0,0]=2 4599 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,2,0,0,0,0|1,0,0]=3 4600 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,2,0,0,0,0|1,0,0]=3 4601 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,2,0,0,0,0|1,0,0]=3 4602 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,2,0,0,0,0|1,0,0]=3 4603 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,2,0,0,0,0|1,0,0]=3 4604 B8R0.4 CSCSCC#CCO 62a_100011218213_200000047223 [0,2,0,0,0,0|0,0,2]=4 4605 B8R0.4 CSCSCC#CCO 62a_200000047223_100011218213 [0,2,0,0,0,0|0,0,2]=4 4606 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,2,0,0,0,0|1,0,1]=4 4607 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,2,0,0,0,0|1,0,1]=4 4608 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,2,0,0,0,0|0,0,2]=4 4609 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,2,0,0,0,0|0,0,2]=4 4610 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,2,0,0,0,0|1,0,0]=3 4611 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,2,0,0,0,0|1,0,0]=3 4612 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,2,0,0,0,0|0,0,0]=2 4613 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,2,0,0,0,0|0,0,0]=2 4614 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,2,0,0,0,0|1,0,0]=3 4615 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,2,0,0,0,0|1,0,0]=3 4616 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,2,0,0,0,0|1,0,0]=3 4617 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [0,2,0,0,0,0|1,0,0]=3 4618 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [0,2,0,0,0,0|1,0,0]=3 4619 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [0,2,0,0,0,0|1,0,0]=3 4620 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,2,0,0,0,0|1,0,0]=3 4621 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,2,0,0,0,0|1,0,0]=3 4622 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [0,2,0,0,0,0|1,0,0]=3 4623 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [0,2,0,0,0,0|1,0,0]=3 4624 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [0,2,0,0,0,0|1,0,0]=3 4625 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [0,2,0,0,0,0|1,0,0]=3 4626 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [0,2,0,0,0,0|1,0,0]=3 4627 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,2,0,0,0,0|1,0,0]=3 4628 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [0,2,0,0,0,0|1,0,0]=3 4629 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [0,2,0,0,0,0|1,0,0]=3 4630 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [0,2,0,0,0,0|1,0,0]=3 4631 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [0,2,0,0,0,0|1,0,0]=3 4632 B8R0.4 FCCOCCOCF 34a_200015357709_100015361967 [0,2,0,0,0,0|2,0,0]=4 4633 B8R0.4 FCCOCCOCF 7a_200015357709_100015361967 [0,2,0,0,0,0|2,0,0]=4 4634 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,2,0,0,0,0|1,0,0]=3 4635 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,2,0,0,0,0|1,0,0]=3 4636 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,2,0,0,0,0|1,0,0]=3 4637 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,2,0,0,0,0|1,0,0]=3 4638 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,2,0,0,0,0|1,0,0]=3 4639 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,2,0,0,0,0|1,0,0]=3 4640 B8R0.4 FCOCCOCCBr 34a_100000692535_100015361967 [0,2,0,0,0,0|2,0,0]=4 4641 B8R0.4 FCOCCOCCBr 7a_100000692535_100015361967 [0,2,0,0,0,0|2,0,0]=4 4642 B8R0.4 FCOCCOCCCl 34a_100011215305_100015361967 [0,2,0,0,0,0|2,0,0]=4 4643 B8R0.4 FCOCCOCCCl 7a_100011215305_100015361967 [0,2,0,0,0,0|2,0,0]=4 4644 B8R0.4 FCOCCOCCI 34a_100012149058_100015361967 [0,2,0,0,0,0|2,0,0]=4 4645 B8R0.4 FCOCCOCCI 7a_100012149058_100015361967 [0,2,0,0,0,0|2,0,0]=4 4646 B8R0.4 N#CCCCCSCF 62a_100011219923_100015361967 [0,2,0,0,0,0|1,0,1]=4 4647 B8R0.4 N#CCCCCSCF 62a_100015361967_100000211819 [0,2,0,0,0,0|1,0,1]=4 4648 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [0,2,0,0,0,0|0,0,1]=3 4649 B8R0.4 N#CCCCSCCF 62a_100000687738_100011217306 [0,2,0,0,0,0|1,0,1]=4 4650 B8R0.4 N#CCCCSCCF 62a_100011217306_100000687738 [0,2,0,0,0,0|1,0,1]=4 4651 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,2,0,0,0,0|0,0,1]=3 4652 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,2,0,0,0,0|0,0,1]=3 4653 B8R0.4 N#CCCNCCCF 2230a_100015189416_100011215226 [0,2,0,0,0,0|1,0,1]=4 4654 B8R0.4 N#CCCSCCCF 62a_100011215226_100011934791 [0,2,0,0,0,0|1,0,1]=4 4655 B8R0.4 N#CCCSCCCF 62a_100011934791_100011215226 [0,2,0,0,0,0|1,0,1]=4 4656 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,2,0,0,0,0|0,0,1]=3 4657 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,2,0,0,0,0|0,0,1]=3 4658 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [0,2,0,0,0,0|0,0,1]=3 4659 B8R0.4 N#CCOCCCCCl 7a_100000210776_100011215382 [0,2,0,0,0,0|1,0,1]=4 4660 B8R0.4 N#CCOCCCCF 7a_100011995726_100011215382 [0,2,0,0,0,0|1,0,1]=4 4661 B8R0.4 N#CCSCCCCF 62a_100000729493_100011215382 [0,2,0,0,0,0|1,0,1]=4 4662 B8R0.4 N#CCSCCCCF 62a_100011215382_100000729493 [0,2,0,0,0,0|1,0,1]=4 4663 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,2,0,0,0,0|0,0,1]=3 4664 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,2,0,0,0,0|0,0,1]=3 4665 B8R0.4 N#CSCCSCCO 62a_100000034367_100000211926 [0,2,0,0,0,0|1,0,1]=4 4666 B8R0.4 N#CSCCSCCO 62a_100000211926_100000034367 [0,2,0,0,0,0|1,0,1]=4 4667 B8R0.4 N#CSCSCCCO 62a_100000211825_100011215043 [0,2,0,0,0,0|1,0,1]=4 4668 B8R0.4 N#CSCSCCCO 62a_100011215043_100000211825 [0,2,0,0,0,0|1,0,1]=4 4669 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,2,0,0,0,0|1,0,0]=3 4670 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,2,0,0,0,0|0,0,2]=4 4671 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [0,2,0,0,0,0|1,0,0]=3 4672 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,2,0,0,0,0|0,0,0]=2 4673 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [0,2,0,0,0,0|1,0,0]=3 4674 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,2,0,0,0,0|0,0,0]=2 4675 B8R0.4 NCCOCC#CCO 34a_100000210304_200000047223 [0,2,0,0,0,0|0,0,2]=4 4676 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [0,2,0,0,0,0|1,0,0]=3 4677 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,2,0,0,0,0|0,0,0]=2 4678 B8R0.4 NCCOCCOCF 34a_100000211614_100015361967 [0,2,0,0,0,0|2,0,0]=4 4679 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [0,2,0,0,0,0|1,0,0]=3 4680 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,2,0,0,0,0|1,0,0]=3 4681 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,2,0,0,0,0|0,0,2]=4 4682 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,2,0,0,0,0|0,0,2]=4 4683 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,2,0,0,0,0|0,0,1]=3 4684 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,2,0,0,0,0|0,0,2]=4 4685 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,2,0,0,0,0|0,0,2]=4 4686 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,2,0,0,0,0|0,0,1]=3 4687 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,2,0,0,0,0|0,0,1]=3 4688 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,2,0,0,0,0|0,0,1]=3 4689 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,2,0,0,0,0|0,0,1]=3 4690 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,2,0,0,0,0|0,0,2]=4 4691 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,2,0,0,0,0|0,0,2]=4 4692 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,2,0,0,0,0|0,0,2]=4 4693 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,2,0,0,0,0|0,0,2]=4 4694 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,2,0,0,0,0|0,0,2]=4 4695 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,2,0,0,0,0|0,0,2]=4 4696 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,2,0,0,0,0|0,0,2]=4 4697 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,2,0,0,0,0|0,0,2]=4 4698 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,2,0,0,0,0|0,0,1]=3 4699 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,2,0,0,0,0|0,0,1]=3 4700 B8R0.4 OCC#CCNCCF 34a_100000724931_200000047223 [0,2,0,0,0,0|0,0,2]=4 4701 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [0,2,0,0,0,0|0,0,2]=4 4702 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [0,2,0,0,0,0|0,0,2]=4 4703 B8R0.4 OCC#CCOCCBr 34a_100000211926_200000047223 [0,2,0,0,0,0|0,0,2]=4 4704 B8R0.4 OCC#CCSCCF 62a_100011217306_200000047223 [0,2,0,0,0,0|0,0,2]=4 4705 B8R0.4 OCC#CCSCCF 62a_200000047223_100011217306 [0,2,0,0,0,0|0,0,2]=4 4706 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [0,2,0,0,0,0|0,0,2]=4 4707 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [0,2,0,0,0,0|0,0,2]=4 4708 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,2,0,0,0,0|0,0,0]=2 4709 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,2,0,0,0,0|0,0,0]=2 4710 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,2,0,0,0,0|0,0,0]=2 4711 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,2,0,0,0,0|0,0,0]=2 4712 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,2,0,0,0,0|0,0,0]=2 4713 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,2,0,0,0,0|0,0,0]=2 4714 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,2,0,0,0,0|0,0,0]=2 4715 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,2,0,0,0,0|0,0,0]=2 4716 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,2,0,0,0,0|0,0,0]=2 4717 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,2,0,0,0,0|0,0,0]=2 4718 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,2,0,0,0,0|0,0,0]=2 4719 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,2,0,0,0,0|0,0,0]=2 4720 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,2,0,0,0,0|0,0,0]=2 4721 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,2,0,0,0,0|0,0,0]=2 4722 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,2,0,0,0,0|0,0,0]=2 4723 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,2,0,0,0,0|0,0,0]=2 4724 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,2,0,0,0,0|0,0,0]=2 4725 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,2,0,0,0,0|0,0,0]=2 4726 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,2,0,0,0,0|0,0,0]=2 4727 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,2,0,0,0,0|0,0,0]=2 4728 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,2,0,0,0,0|0,0,0]=2 4729 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,2,0,0,0,0|0,0,0]=2 4730 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,2,0,0,0,0|0,0,0]=2 4731 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,2,0,0,0,0|0,0,0]=2 4732 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,2,0,0,0,0|0,0,0]=2 4733 B8R0.4 OCCOCC#CCCl 34a_200000047223_100000211926 [0,2,0,0,0,0|0,0,2]=4 4734 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,2,0,0,0,0|0,0,0]=2 4735 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,2,0,0,0,0|0,0,0]=2 4736 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,2,0,0,0,0|0,0,0]=2 4737 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,2,0,0,0,0|0,0,0]=2 4738 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,2,0,0,0,0|0,0,0]=2 4739 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,2,0,0,0,0|0,0,0]=2 4740 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [0,2,0,0,0,0|1,0,0]=3 4741 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [0,2,0,0,0,0|1,0,0]=3 4742 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [0,2,0,0,0,0|1,0,0]=3 4743 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,2,0,0,0,0|0,0,0]=2 4744 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,2,0,0,0,0|0,0,0]=2 4745 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,2,0,0,0,0|0,0,0]=2 4746 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,2,0,0,0,0|0,0,0]=2 4747 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,2,0,0,0,0|2,0,0]=4 4748 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,2,0,0,0,0|0,0,0]=2 4749 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,2,0,0,0,0|0,0,0]=2 4750 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,2,0,0,0,0|0,0,0]=2 4751 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,2,0,0,0,0|0,0,0]=2 4752 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,2,0,0,0,0|0,0,0]=2 4753 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,2,0,0,0,0|0,0,0]=2 4754 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,2,0,0,0,0|0,0,0]=2 4755 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,2,0,0,0,0|1,0,0]=3 4756 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,2,0,0,0,0|1,0,0]=3 4757 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,2,0,0,0,0|0,0,1]=3 4758 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,2,0,0,0,0|0,0,1]=3 4759 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,2,0,0,0,0|0,1,0]=3 4760 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,2,0,0,0,0|0,1,0]=3 4761 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,2,0,0,0,0|0,0,0]=2 4762 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,2,0,0,0,0|0,0,0]=2 4763 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,2,0,0,0,0|0,0,2]=4 4764 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,2,0,0,0,0|0,0,2]=4 4765 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [0,2,0,0,0,0|1,0,1]=4 4766 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [0,2,0,0,0,0|1,0,1]=4 4767 B8R0.6 C#CC(C)NCCCF 2230a_100000707721_100011934791 [0,2,0,0,0,0|2,0,0]=4 4768 B8R0.6 C#CC(C)NCCCF 34a_100000707721_100011934791 [0,2,0,0,0,0|2,0,0]=4 4769 B8R0.6 C#CC(C)NCCCF 34a_100015189416_200000035995 [0,2,0,0,0,0|2,0,0]=4 4770 B8R0.6 C#CC(C)NCCCO 2230a_100000707721_100000230001 [0,2,0,0,0,0|1,0,0]=3 4771 B8R0.6 C#CC(C)NCCCO 34a_100000707721_100000230001 [0,2,0,0,0,0|1,0,0]=3 4772 B8R0.6 C#CC(C)OCCCBr 34a_100011217188_200000035995 [0,2,0,0,0,0|2,0,0]=4 4773 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [0,2,0,0,0,0|1,0,1]=4 4774 B8R0.6 C#CC(C)OCCCCl 34a_100000230001_200000035995 [0,2,0,0,0,0|2,0,0]=4 4775 B8R0.6 C#CC(C)OCCCF 34a_100000759539_200000035995 [0,2,0,0,0,0|2,0,0]=4 4776 B8R0.6 C#CC(C)OCCCN 34a_100000182051_200000035995 [0,2,0,0,0,0|2,0,0]=4 4777 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,2,0,0,0,0|1,0,1]=4 4778 B8R0.6 C#CC(C)SCCCF 62a_200000035995_100011934791 [0,2,0,0,0,0|2,0,0]=4 4779 B8R0.6 C#CC(C)SCCCO 62a_200000035995_100011215043 [0,2,0,0,0,0|1,0,0]=3 4780 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|1,0,1]=4 4781 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|1,0,1]=4 4782 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|0,0,2]=4 4783 B8R0.6 C#CCCCN(C)CC 2230a_100000225621_100000731252 [0,2,0,0,0,0|1,0,1]=4 4784 B8R0.6 C#CCCCN(C)CC 269982a_100000225621_100011215417 [0,2,0,0,0,0|1,0,1]=4 4785 B8R0.6 C#CCCNC(C)CC 2230a_100000209981_100000688953 [0,2,0,0,0,0|1,0,1]=4 4786 B8R0.6 C#CCCNC(C)CC 34a_100000755551_100011215416 [0,2,0,0,0,0|1,0,1]=4 4787 B8R0.6 C#CCCNC(C)CO 34a_100000755551_100012180447 [0,2,0,0,0,0|0,0,2]=4 4788 B8R0.6 C#CCCN[C@H](C)CO 2230a_100000737577_100000688953 [0,2,0,0,0,0|0,0,2]=4 4789 B8R0.6 C#CCCOC(C)CC 34a_100011215631_100011215416 [0,2,0,0,0,0|1,0,1]=4 4790 B8R0.6 C#CCCOC(C)CC 7a_100000210228_100000688953 [0,2,0,0,0,0|1,0,1]=4 4791 B8R0.6 C#CCCOC(C)CO 34a_100011215631_100012180447 [0,2,0,0,0,0|0,0,2]=4 4792 B8R0.6 C#CCCSC(C)CC 62a_100000688953_100000758301 [0,2,0,0,0,0|1,0,1]=4 4793 B8R0.6 C#CCCSC(C)CC 62a_100000758301_100000688953 [0,2,0,0,0,0|1,0,1]=4 4794 B8R0.6 C#CCCSC(C)CO 62a_100012180447_100000688953 [0,2,0,0,0,0|0,0,2]=4 4795 B8R0.6 C#CCCS[C@H](C)CO 62a_100000688953_100016084084 [0,2,0,0,0,0|0,0,2]=4 4796 B8R0.6 C#CCCS[C@H](C)CO 62a_100016084084_100000688953 [0,2,0,0,0,0|0,0,2]=4 4797 B8R0.6 C#CCNCC(C)CC 2230a_100020588543_100000038162 [0,2,0,0,0,0|1,0,1]=4 4798 B8R0.6 C#CCNCC(C)CC 34a_100000212058_100000748023 [0,2,0,0,0,0|1,0,1]=4 4799 B8R0.6 C#CCNCC(C)CO 34a_100000744482_100000184674 [0,2,0,0,0,0|0,0,2]=4 4800 B8R0.6 C#CCNCC(O)CC 2230a_100011218483_100000038162 [0,2,0,0,0,0|1,0,1]=4 4801 B8R0.6 C#CCNCC(O)CC 34a_100000212058_100011218378 [0,2,0,0,0,0|1,0,1]=4 4802 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,2,0,0,0,0|0,0,2]=4 4803 B8R0.6 C#CCNC[C@@H](C)CC 34a_100000212058_100009816398 [0,2,0,0,0,0|1,0,1]=4 4804 B8R0.6 C#CCNC[C@@H](C)CO 34a_100000212058_100000059175 [0,2,0,0,0,0|0,0,2]=4 4805 B8R0.6 C#CCNC[C@@H](F)CO 34a_100015665980_100000184674 [0,2,0,0,0,0|0,0,2]=4 4806 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,2,0,0,0,0|0,0,2]=4 4807 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,2,0,0,0,0|0,0,2]=4 4808 B8R0.6 C#CCOCC(C)CC 34a_100000210247_100000748023 [0,2,0,0,0,0|1,0,1]=4 4809 B8R0.6 C#CCOCC(O)CC 34a_100000210247_100011218378 [0,2,0,0,0,0|1,0,1]=4 4810 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [0,2,0,0,0,0|0,0,2]=4 4811 B8R0.6 C#CCOC[C@@H](C)CC 34a_100000210247_100009816398 [0,2,0,0,0,0|1,0,1]=4 4812 B8R0.6 C#CCOC[C@@H](C)CC 7a_100009816381_100000038162 [0,2,0,0,0,0|1,0,1]=4 4813 B8R0.6 C#CCOC[C@@H](C)CO 34a_100000210247_100000059175 [0,2,0,0,0,0|0,0,2]=4 4814 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [0,2,0,0,0,0|0,0,2]=4 4815 B8R0.6 C#CCSCC(C)CC 62a_100000038162_100000748023 [0,2,0,0,0,0|1,0,1]=4 4816 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,2,0,0,0,0|1,0,1]=4 4817 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,2,0,0,0,0|0,0,2]=4 4818 B8R0.6 C#CCSC[C@@H](C)CC 62a_100000038162_100009816398 [0,2,0,0,0,0|1,0,1]=4 4819 B8R0.6 C#CCSC[C@@H](C)CO 62a_100000038162_100000059175 [0,2,0,0,0,0|0,0,2]=4 4820 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,2,0,0,0,0|0,0,2]=4 4821 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [0,2,0,0,0,0|1,0,1]=4 4822 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [0,2,0,0,0,0|1,0,1]=4 4823 B8R0.6 C#C[C@@H](C)OCCCF 34a_100009815206_100011934791 [0,2,0,0,0,0|2,0,0]=4 4824 B8R0.6 C#C[C@@H](C)OCCCF 7a_100009815206_100011934791 [0,2,0,0,0,0|2,0,0]=4 4825 B8R0.6 C#C[C@@H](C)OCCCO 34a_100009815206_100000230001 [0,2,0,0,0,0|1,0,0]=3 4826 B8R0.6 C#C[C@@H](C)OCCCO 7a_100009815206_100011215043 [0,2,0,0,0,0|1,0,0]=3 4827 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [0,2,0,0,0,0|0,0,2]=4 4828 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [0,2,0,0,0,0|0,0,2]=4 4829 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [0,2,0,0,0,0|0,0,2]=4 4830 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [0,2,0,0,0,0|0,0,2]=4 4831 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|0,0,2]=4 4832 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,2,0,0,0,0|0,0,2]=4 4833 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,2,0,0,0,0|1,0,1]=4 4834 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,2,0,0,0,0|1,0,1]=4 4835 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [0,2,0,0,0,0|2,0,0]=4 4836 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [0,2,0,0,0,0|2,0,0]=4 4837 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,2,0,0,0,0|1,0,0]=3 4838 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,2,0,0,0,0|1,0,0]=3 4839 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,2,0,0,0,0|1,0,1]=4 4840 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [0,2,0,0,0,0|2,0,0]=4 4841 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,2,0,0,0,0|1,0,0]=3 4842 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,2,0,0,0,0|1,0,1]=4 4843 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [0,2,0,0,0,0|2,0,0]=4 4844 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [0,2,0,0,0,0|1,0,0]=3 4845 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,2,0,0,0,0|2,0,0]=4 4846 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,2,0,0,0,0|0,0,2]=4 4847 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,2,0,0,0,0|0,0,2]=4 4848 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,2,0,0,0,0|2,0,0]=4 4849 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,2,0,0,0,0|1,0,0]=3 4850 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,2,0,0,0,0|2,0,0]=4 4851 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,2,0,0,0,0|1,0,0]=3 4852 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,2,0,0,0,0|1,0,0]=3 4853 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,2,0,0,0,0|2,0,0]=4 4854 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,2,0,0,0,0|2,0,0]=4 4855 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,2,0,0,0,0|0,0,2]=4 4856 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,2,0,0,0,0|0,0,2]=4 4857 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,2,0,0,0,0|2,0,0]=4 4858 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,2,0,0,0,0|2,0,0]=4 4859 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,2,0,0,0,0|2,0,0]=4 4860 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,2,0,0,0,0|2,0,0]=4 4861 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|1,0,1]=4 4862 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|1,0,1]=4 4863 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|0,0,2]=4 4864 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,2,0,0,0,0|1,0,1]=4 4865 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,2,0,0,0,0|1,0,1]=4 4866 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,2,0,0,0,0|1,0,1]=4 4867 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,2,0,0,0,0|1,0,1]=4 4868 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,2,0,0,0,0|0,0,2]=4 4869 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,2,0,0,0,0|0,0,2]=4 4870 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,2,0,0,0,0|1,0,1]=4 4871 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,2,0,0,0,0|1,0,1]=4 4872 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,2,0,0,0,0|0,0,2]=4 4873 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,2,0,0,0,0|1,0,1]=4 4874 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,2,0,0,0,0|1,0,1]=4 4875 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,2,0,0,0,0|0,0,2]=4 4876 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,2,0,0,0,0|0,0,2]=4 4877 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,2,0,0,0,0|0,0,2]=4 4878 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,2,0,0,0,0|1,0,1]=4 4879 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,2,0,0,0,0|1,0,1]=4 4880 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,2,0,0,0,0|1,0,1]=4 4881 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,2,0,0,0,0|0,0,2]=4 4882 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,2,0,0,0,0|1,0,1]=4 4883 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,2,0,0,0,0|1,0,1]=4 4884 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,2,0,0,0,0|0,0,2]=4 4885 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,2,0,0,0,0|1,0,1]=4 4886 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,2,0,0,0,0|0,0,2]=4 4887 B8R0.6 C=CCNC[C@@H](F)CO 34a_100015665980_100015514636 [0,2,0,0,0,0|0,0,2]=4 4888 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,2,0,0,0,0|0,0,2]=4 4889 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,2,0,0,0,0|0,0,2]=4 4890 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,2,0,0,0,0|1,0,1]=4 4891 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,2,0,0,0,0|1,0,1]=4 4892 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,2,0,0,0,0|0,0,2]=4 4893 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,2,0,0,0,0|1,0,1]=4 4894 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,2,0,0,0,0|1,0,1]=4 4895 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,2,0,0,0,0|0,0,2]=4 4896 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,2,0,0,0,0|0,0,2]=4 4897 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,2,0,0,0,0|1,0,1]=4 4898 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,2,0,0,0,0|1,0,1]=4 4899 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,2,0,0,0,0|1,0,1]=4 4900 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,2,0,0,0,0|1,0,1]=4 4901 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,2,0,0,0,0|0,0,2]=4 4902 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,2,0,0,0,0|0,0,2]=4 4903 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,2,0,0,0,0|1,0,1]=4 4904 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,2,0,0,0,0|1,0,1]=4 4905 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,2,0,0,0,0|0,0,2]=4 4906 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,2,0,0,0,0|0,0,2]=4 4907 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,2,0,0,0,0|0,0,2]=4 4908 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,2,0,0,0,0|0,0,2]=4 4909 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|1,0,1]=4 4910 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|0,0,2]=4 4911 B8R0.6 CC#CCNC(C)CO 2230a_100000685387_100012180447 [0,2,0,0,0,0|0,0,2]=4 4912 B8R0.6 CC#CCNC(C)CO 34a_100000685387_100012180447 [0,2,0,0,0,0|0,0,2]=4 4913 B8R0.6 CC#CCN[C@H](C)CO 2230a_100000737577_100000748600 [0,2,0,0,0,0|0,0,2]=4 4914 B8R0.6 CC#CCOC(C)CO 34a_100000761923_100012180447 [0,2,0,0,0,0|0,0,2]=4 4915 B8R0.6 CC#CCSC(C)CO 62a_100012180447_100000748600 [0,2,0,0,0,0|0,0,2]=4 4916 B8R0.6 CC#CCS[C@H](C)CO 62a_100000748600_100016084084 [0,2,0,0,0,0|0,0,2]=4 4917 B8R0.6 CC#CCS[C@H](C)CO 62a_100016084084_100000748600 [0,2,0,0,0,0|0,0,2]=4 4918 B8R0.6 CC(C#N)NCCCF 2230a_100000737613_100011934791 [0,2,0,0,0,0|2,0,0]=4 4919 B8R0.6 CC(C#N)NCCCF 2230a_100015189416_100000184139 [0,2,0,0,0,0|2,0,0]=4 4920 B8R0.6 CC(C#N)NCCCO 2230a_100000737613_100000230001 [0,2,0,0,0,0|1,0,0]=3 4921 B8R0.6 CC(C#N)OCCCF 34a_100011218135_100011934791 [0,2,0,0,0,0|2,0,0]=4 4922 B8R0.6 CC(C#N)OCCCO 34a_100011218135_100000230001 [0,2,0,0,0,0|1,0,0]=3 4923 B8R0.6 CC(C#N)SCCCF 62a_100000703298_100011934791 [0,2,0,0,0,0|2,0,0]=4 4924 B8R0.6 CC(C#N)SCCCF 62a_100011934791_100000703298 [0,2,0,0,0,0|2,0,0]=4 4925 B8R0.6 CC(C#N)SCCCO 62a_100000703298_100011215043 [0,2,0,0,0,0|1,0,0]=3 4926 B8R0.6 CC(C#N)SCCCO 62a_100011215043_100000703298 [0,2,0,0,0,0|1,0,0]=3 4927 B8R0.6 CC(CF)OCCCF 34a_100016041109_100011934791 [0,2,0,0,0,0|2,0,0]=4 4928 B8R0.6 CC(CF)OCCCF 7a_100016041109_100011934791 [0,2,0,0,0,0|2,0,0]=4 4929 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,2,0,0,0,0|1,0,0]=3 4930 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,2,0,0,0,0|1,0,0]=3 4931 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|2,0,0]=4 4932 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|1,0,0]=3 4933 B8R0.6 CC(CN)OCCCF 34a_100000210904_100011934791 [0,2,0,0,0,0|2,0,0]=4 4934 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|1,0,0]=3 4935 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,2,0,0,0,0|1,0,0]=3 4936 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|1,0,1]=4 4937 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|1,0,0]=3 4938 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|1,0,0]=3 4939 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,2,0,0,0,0|1,0,0]=3 4940 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,2,0,0,0,0|1,0,0]=3 4941 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,2,0,0,0,0|1,0,0]=3 4942 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,2,0,0,0,0|1,0,0]=3 4943 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,2,0,0,0,0|1,0,0]=3 4944 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,2,0,0,0,0|1,0,0]=3 4945 B8R0.6 CC(CO)OCCON 34a_100000700252_100012180447 [0,2,0,0,0,0|2,0,0]=4 4946 B8R0.6 CC(CO)SCCC#N 62a_100012180447_100011215226 [0,2,0,0,0,0|1,0,1]=4 4947 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,2,0,0,0,0|1,0,0]=3 4948 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,2,0,0,0,0|1,0,0]=3 4949 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|0,0,2]=4 4950 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [0,2,0,0,0,0|0,0,2]=4 4951 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [0,2,0,0,0,0|0,0,2]=4 4952 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [0,2,0,0,0,0|0,0,2]=4 4953 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [0,2,0,0,0,0|0,0,2]=4 4954 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,2,0,0,0,0|0,0,2]=4 4955 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [0,2,0,0,0,0|0,0,2]=4 4956 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [0,2,0,0,0,0|0,0,2]=4 4957 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [0,2,0,0,0,0|0,0,2]=4 4958 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [0,2,0,0,0,0|0,0,2]=4 4959 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,2,0,0,0,0|0,0,2]=4 4960 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|1,0,1]=4 4961 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|1,0,1]=4 4962 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|1,0,0]=3 4963 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|0,0,0]=2 4964 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|0,0,0]=2 4965 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|0,0,1]=3 4966 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|0,0,1]=3 4967 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|0,1,1]=4 4968 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|1,0,1]=4 4969 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|0,0,1]=3 4970 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|0,0,1]=3 4971 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|1,0,1]=4 4972 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|1,0,1]=4 4973 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|0,0,1]=3 4974 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|0,0,1]=3 4975 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|1,0,1]=4 4976 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|1,0,1]=4 4977 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|1,0,1]=4 4978 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|1,0,1]=4 4979 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|1,0,1]=4 4980 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|1,0,1]=4 4981 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|0,0,1]=3 4982 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|0,0,1]=3 4983 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|1,0,1]=4 4984 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|1,0,1]=4 4985 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|1,0,1]=4 4986 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|1,0,1]=4 4987 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|1,0,1]=4 4988 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|1,0,1]=4 4989 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|1,0,1]=4 4990 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,2,0,0,0,0|1,0,1]=4 4991 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|1,0,1]=4 4992 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|1,0,1]=4 4993 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,2,0,0,0,0|0,0,0]=2 4994 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,2,0,0,0,0|0,0,0]=2 4995 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,2,0,0,0,0|1,0,0]=3 4996 B8R0.6 CCC(C)CNCC#N 2230a_100020588543_100011215382 [0,2,0,0,0,0|1,0,1]=4 4997 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,2,0,0,0,0|0,0,2]=4 4998 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,2,0,0,0,0|1,0,0]=3 4999 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,2,0,0,0,0|1,0,0]=3 5000 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,2,0,0,0,0|0,0,0]=2 5001 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,2,0,0,0,0|0,0,0]=2 5002 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,2,0,0,0,0|0,0,0]=2 5003 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,2,0,0,0,0|0,0,0]=2 5004 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,2,0,0,0,0|1,0,0]=3 5005 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,2,0,0,0,0|1,1,0]=4 5006 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,2,0,0,0,0|1,0,0]=3 5007 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,2,0,0,0,0|1,0,0]=3 5008 B8R0.6 CCC(C)CSCC#N 62a_100000748023_100011215382 [0,2,0,0,0,0|1,0,1]=4 5009 B8R0.6 CCC(C)CSCC#N 62a_100011215382_100000748023 [0,2,0,0,0,0|1,0,1]=4 5010 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,2,0,0,0,0|0,0,2]=4 5011 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,2,0,0,0,0|0,0,2]=4 5012 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,2,0,0,0,0|1,0,0]=3 5013 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,2,0,0,0,0|1,0,0]=3 5014 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,2,0,0,0,0|0,0,0]=2 5015 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,2,0,0,0,0|0,0,0]=2 5016 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,2,0,0,0,0|1,0,0]=3 5017 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,2,0,0,0,0|1,0,0]=3 5018 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,2,0,0,0,0|1,1,0]=4 5019 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,2,0,0,0,0|1,1,0]=4 5020 B8R0.6 CCC(C)NCCC#N 2230a_100000209981_100011215226 [0,2,0,0,0,0|1,0,1]=4 5021 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,2,0,0,0,0|1,0,0]=3 5022 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,2,0,0,0,0|1,0,0]=3 5023 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,2,0,0,0,0|1,0,0]=3 5024 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,2,0,0,0,0|0,0,0]=2 5025 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,2,0,0,0,0|1,0,0]=3 5026 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,2,0,0,0,0|1,0,0]=3 5027 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,2,0,0,0,0|1,1,0]=4 5028 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,2,0,0,0,0|1,1,0]=4 5029 B8R0.6 CCC(C)OCCC#N 7a_100000210228_100000184422 [0,2,0,0,0,0|1,0,1]=4 5030 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,2,0,0,0,0|1,0,0]=3 5031 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,2,0,0,0,0|1,0,0]=3 5032 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,2,0,0,0,0|1,0,0]=3 5033 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,2,0,0,0,0|1,0,0]=3 5034 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,2,0,0,0,0|1,0,0]=3 5035 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,2,0,0,0,0|0,0,0]=2 5036 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,2,0,0,0,0|1,0,0]=3 5037 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,2,0,0,0,0|1,0,0]=3 5038 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,2,0,0,0,0|1,0,0]=3 5039 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,2,0,0,0,0|1,1,0]=4 5040 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,2,0,0,0,0|1,1,0]=4 5041 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,2,0,0,0,0|1,1,0]=4 5042 B8R0.6 CCC(C)SCCC#N 62a_100000758301_100011215226 [0,2,0,0,0,0|1,0,1]=4 5043 B8R0.6 CCC(C)SCCC#N 62a_100011215226_100000758301 [0,2,0,0,0,0|1,0,1]=4 5044 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,2,0,0,0,0|1,0,0]=3 5045 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,2,0,0,0,0|1,0,0]=3 5046 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,2,0,0,0,0|0,0,0]=2 5047 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,2,0,0,0,0|0,0,0]=2 5048 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,2,0,0,0,0|1,0,0]=3 5049 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,2,0,0,0,0|1,0,0]=3 5050 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,2,0,0,0,0|1,1,0]=4 5051 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,2,0,0,0,0|1,1,0]=4 5052 B8R0.6 CCC(O)CNCC#N 2230a_100011218483_100011215382 [0,2,0,0,0,0|1,0,1]=4 5053 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|0,0,2]=4 5054 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,2,0,0,0,0|1,0,0]=3 5055 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,2,0,0,0,0|1,0,0]=3 5056 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,2,0,0,0,0|0,0,0]=2 5057 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,2,0,0,0,0|0,0,0]=2 5058 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,2,0,0,0,0|0,0,0]=2 5059 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,2,0,0,0,0|1,0,0]=3 5060 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,2,0,0,0,0|1,1,0]=4 5061 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,2,0,0,0,0|1,0,0]=3 5062 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,2,0,0,0,0|1,0,0]=3 5063 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,2,0,0,0,0|1,0,1]=4 5064 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,2,0,0,0,0|1,0,1]=4 5065 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,2,0,0,0,0|0,0,2]=4 5066 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,2,0,0,0,0|0,0,2]=4 5067 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,2,0,0,0,0|1,0,0]=3 5068 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,2,0,0,0,0|1,0,0]=3 5069 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,2,0,0,0,0|0,0,0]=2 5070 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,2,0,0,0,0|0,0,0]=2 5071 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,2,0,0,0,0|1,0,0]=3 5072 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,2,0,0,0,0|1,0,0]=3 5073 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,2,0,0,0,0|1,1,0]=4 5074 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,2,0,0,0,0|1,1,0]=4 5075 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|1,0,0]=3 5076 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|1,0,0]=3 5077 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|1,0,0]=3 5078 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|0,0,0]=2 5079 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|0,0,2]=4 5080 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|0,0,2]=4 5081 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|0,0,2]=4 5082 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|0,0,2]=4 5083 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,2,0,0,0,0|1,0,0]=3 5084 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,2,0,0,0,0|1,0,0]=3 5085 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,2,0,0,0,0|1,0,0]=3 5086 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,2,0,0,0,0|1,0,0]=3 5087 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,2,0,0,0,0|1,0,0]=3 5088 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,2,0,0,0,0|1,0,0]=3 5089 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,2,0,0,0,0|0,0,0]=2 5090 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,2,0,0,0,0|0,0,0]=2 5091 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,2,0,0,0,0|0,0,0]=2 5092 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,2,0,0,0,0|0,0,0]=2 5093 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,2,0,0,0,0|0,0,0]=2 5094 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,2,0,0,0,0|0,1,0]=3 5095 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,2,0,0,0,0|0,1,0]=3 5096 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,2,0,0,0,0|0,1,0]=3 5097 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,2,0,0,0,0|0,1,0]=3 5098 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,2,0,0,0,0|1,0,0]=3 5099 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,2,0,0,0,0|1,0,0]=3 5100 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,2,0,0,0,0|1,0,0]=3 5101 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,2,0,0,0,0|1,0,0]=3 5102 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,2,0,0,0,0|1,0,0]=3 5103 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|1,0,1]=4 5104 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|1,0,1]=4 5105 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|1,0,1]=4 5106 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|1,0,1]=4 5107 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|0,0,1]=3 5108 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|0,0,1]=3 5109 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [0,2,0,0,0,0|1,0,1]=4 5110 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [0,2,0,0,0,0|1,0,1]=4 5111 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [0,2,0,0,0,0|1,0,1]=4 5112 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,2,0,0,0,0|1,0,0]=3 5113 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,2,0,0,0,0|1,0,0]=3 5114 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,2,0,0,0,0|1,0,0]=3 5115 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,2,0,0,0,0|0,0,0]=2 5116 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,2,0,0,0,0|0,0,0]=2 5117 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,2,0,0,0,0|0,0,0]=2 5118 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [0,2,0,0,0,0|1,0,1]=4 5119 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [0,2,0,0,0,0|1,0,1]=4 5120 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,2,0,0,0,0|1,0,0]=3 5121 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,2,0,0,0,0|1,0,0]=3 5122 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,2,0,0,0,0|1,0,0]=3 5123 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,2,0,0,0,0|1,0,0]=3 5124 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,2,0,0,0,0|1,0,0]=3 5125 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,2,0,0,0,0|1,0,0]=3 5126 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,2,0,0,0,0|0,0,0]=2 5127 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,2,0,0,0,0|0,0,0]=2 5128 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,2,0,0,0,0|1,0,1]=4 5129 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,2,0,0,0,0|1,0,1]=4 5130 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,2,0,0,0,0|1,0,0]=3 5131 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,2,0,0,0,0|1,0,0]=3 5132 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,2,0,0,0,0|0,0,0]=2 5133 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,2,0,0,0,0|1,0,0]=3 5134 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,2,0,0,0,0|1,0,0]=3 5135 B8R0.6 CCCCSC(F)C#N 62a_100000210211_200000117898 [0,2,0,0,0,0|1,0,1]=4 5136 B8R0.6 CCCCSC(F)C#N 62a_200000117898_100000210210 [0,2,0,0,0,0|1,0,1]=4 5137 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,2,0,0,0,0|0,0,0]=2 5138 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,2,0,0,0,0|0,0,0]=2 5139 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,2,0,0,0,0|1,0,0]=3 5140 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,2,0,0,0,0|1,0,0]=3 5141 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,2,0,0,0,0|0,0,0]=2 5142 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,2,0,0,0,0|1,0,0]=3 5143 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,2,0,0,0,0|1,0,0]=3 5144 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,2,0,0,0,0|0,0,0]=2 5145 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,2,0,0,0,0|0,0,0]=2 5146 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,2,0,0,0,0|1,0,1]=4 5147 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,2,0,0,0,0|1,0,1]=4 5148 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|1,0,1]=4 5149 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|1,0,1]=4 5150 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|1,0,1]=4 5151 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|1,0,1]=4 5152 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,2,0,0,0,0|1,0,0]=3 5153 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,2,0,0,0,0|1,0,0]=3 5154 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,2,0,0,0,0|1,0,0]=3 5155 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,2,0,0,0,0|1,0,0]=3 5156 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,2,0,0,0,0|1,0,0]=3 5157 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,2,0,0,0,0|0,0,0]=2 5158 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,2,0,0,0,0|1,0,0]=3 5159 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,2,0,0,0,0|1,0,0]=3 5160 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,2,0,0,0,0|0,0,0]=2 5161 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,2,0,0,0,0|1,0,0]=3 5162 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,2,0,0,0,0|0,0,0]=2 5163 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,2,0,0,0,0|1,0,0]=3 5164 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|1,0,1]=4 5165 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|1,0,1]=4 5166 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|1,0,1]=4 5167 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|1,0,1]=4 5168 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|1,0,1]=4 5169 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|1,0,1]=4 5170 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,2,0,0,0,0|1,0,0]=3 5171 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,2,0,0,0,0|1,0,0]=3 5172 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,2,0,0,0,0|2,0,0]=4 5173 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,2,0,0,0,0|1,0,0]=3 5174 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,2,0,0,0,0|1,0,0]=3 5175 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,2,0,0,0,0|0,0,0]=2 5176 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,2,0,0,0,0|0,0,0]=2 5177 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,2,0,0,0,0|1,0,0]=3 5178 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,2,0,0,0,0|1,0,0]=3 5179 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,2,0,0,0,0|0,0,0]=2 5180 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,2,0,0,0,0|0,0,0]=2 5181 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,2,0,0,0,0|1,0,0]=3 5182 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,2,0,0,0,0|1,0,0]=3 5183 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,2,0,0,0,0|0,0,0]=2 5184 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,2,0,0,0,0|0,0,0]=2 5185 B8R0.6 CCN(C)CC#CCO 2230a_100000225621_200000047223 [0,2,0,0,0,0|0,0,2]=4 5186 B8R0.6 CCN(C)CCCC#N 2230a_100000225621_100000687738 [0,2,0,0,0,0|1,0,1]=4 5187 B8R0.6 CCN(C)CCCC#N 269982a_100000225621_100000687738 [0,2,0,0,0,0|1,0,1]=4 5188 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,2,0,0,0,0|0,0,2]=4 5189 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,2,0,0,0,0|0,0,2]=4 5190 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,2,0,0,0,0|1,0,0]=3 5191 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,2,0,0,0,0|1,0,0]=3 5192 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,2,0,0,0,0|0,0,0]=2 5193 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,2,0,0,0,0|0,0,0]=2 5194 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,2,0,0,0,0|0,0,0]=2 5195 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,2,0,0,0,0|0,0,0]=2 5196 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,2,0,0,0,0|0,0,0]=2 5197 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,2,0,0,0,0|0,0,0]=2 5198 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,2,0,0,0,0|2,0,0]=4 5199 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,2,0,0,0,0|2,0,0]=4 5200 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,2,0,0,0,0|1,0,0]=3 5201 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,2,0,0,0,0|1,0,0]=3 5202 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,2,0,0,0,0|1,0,0]=3 5203 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,2,0,0,0,0|1,0,0]=3 5204 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,2,0,0,0,0|1,1,0]=4 5205 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,2,0,0,0,0|1,1,0]=4 5206 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,2,0,0,0,0|0,0,0]=2 5207 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,2,0,0,0,0|0,0,0]=2 5208 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|1,0,1]=4 5209 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,2,0,0,0,0|1,0,0]=3 5210 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,2,0,0,0,0|0,0,0]=2 5211 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,2,0,0,0,0|0,0,0]=2 5212 B8R0.6 CCNN=CC(O)CO 4a_100000756455_100000033539 [0,2,0,0,0,0|1,0,1]=4 5213 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,2,0,0,0,0|1,0,1]=4 5214 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|1,0,1]=4 5215 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|1,0,1]=4 5216 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|1,0,1]=4 5217 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|0,0,1]=3 5218 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|1,0,1]=4 5219 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,2,0,0,0,0|1,0,0]=3 5220 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,2,0,0,0,0|2,0,0]=4 5221 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,2,0,0,0,0|1,0,0]=3 5222 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,2,0,0,0,0|2,0,0]=4 5223 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,2,0,0,0,0|2,0,0]=4 5224 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,2,0,0,0,0|2,0,0]=4 5225 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,2,0,0,0,0|2,0,0]=4 5226 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,2,0,0,0,0|1,0,0]=3 5227 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,2,0,0,0,0|2,0,0]=4 5228 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,2,0,0,0,0|2,0,0]=4 5229 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,2,0,0,0,0|1,0,0]=3 5230 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,2,0,0,0,0|1,0,0]=3 5231 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|1,0,1]=4 5232 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|1,0,1]=4 5233 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,2,0,0,0,0|1,0,1]=4 5234 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|0,0,1]=3 5235 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|1,0,1]=4 5236 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|1,0,1]=4 5237 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,2,0,0,0,0|2,0,0]=4 5238 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,2,0,0,0,0|2,0,0]=4 5239 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,2,0,0,0,0|1,0,0]=3 5240 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,2,0,0,0,0|0,0,0]=2 5241 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,2,0,0,0,0|0,0,0]=2 5242 B8R0.6 CC[C@H](C)COCC#N 7a_100009816381_100011215382 [0,2,0,0,0,0|1,0,1]=4 5243 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,2,0,0,0,0|0,0,2]=4 5244 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,2,0,0,0,0|1,0,0]=3 5245 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,2,0,0,0,0|1,0,0]=3 5246 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,2,0,0,0,0|1,0,0]=3 5247 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,2,0,0,0,0|0,0,0]=2 5248 B8R0.6 CC[C@H](C)CSCC#N 62a_100009816398_100011215382 [0,2,0,0,0,0|1,0,1]=4 5249 B8R0.6 CC[C@H](C)CSCC#N 62a_100011215382_100009816398 [0,2,0,0,0,0|1,0,1]=4 5250 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,2,0,0,0,0|0,0,2]=4 5251 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,2,0,0,0,0|0,0,2]=4 5252 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,2,0,0,0,0|1,0,0]=3 5253 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,2,0,0,0,0|1,0,0]=3 5254 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,2,0,0,0,0|0,0,0]=2 5255 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,2,0,0,0,0|0,0,0]=2 5256 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,2,0,0,0,0|1,0,0]=3 5257 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,2,0,0,0,0|1,0,0]=3 5258 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,2,0,0,0,0|1,1,0]=4 5259 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,2,0,0,0,0|1,1,0]=4 5260 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,2,0,0,0,0|1,0,0]=3 5261 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|0,0,1]=3 5262 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|1,0,1]=4 5263 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|1,0,1]=4 5264 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|1,0,1]=4 5265 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|1,0,1]=4 5266 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|1,0,1]=4 5267 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,2,0,0,0,0|1,0,1]=4 5268 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,2,0,0,0,0|1,0,1]=4 5269 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,2,0,0,0,0|1,0,1]=4 5270 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,2,0,0,0,0|1,0,1]=4 5271 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,2,0,0,0,0|1,0,1]=4 5272 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,2,0,0,0,0|1,0,1]=4 5273 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,2,0,0,0,0|1,0,1]=4 5274 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,2,0,0,0,0|1,0,1]=4 5275 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,2,0,0,0,0|1,0,1]=4 5276 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,2,0,0,0,0|1,0,1]=4 5277 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,2,0,0,0,0|1,0,1]=4 5278 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,2,0,0,0,0|1,0,1]=4 5279 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,2,0,0,0,0|1,0,1]=4 5280 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,2,0,0,0,0|1,1,0]=4 5281 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|1,0,1]=4 5282 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|1,0,1]=4 5283 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|1,0,1]=4 5284 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|1,0,1]=4 5285 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|1,0,1]=4 5286 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|1,0,1]=4 5287 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|1,0,1]=4 5288 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|1,0,1]=4 5289 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|1,0,1]=4 5290 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|1,0,1]=4 5291 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|1,0,1]=4 5292 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,2,0,0,0,0|2,0,0]=4 5293 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [0,2,0,0,0,0|2,0,0]=4 5294 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,2,0,0,0,0|1,0,0]=3 5295 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,2,0,0,0,0|2,0,0]=4 5296 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,2,0,0,0,0|2,0,0]=4 5297 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,2,0,0,0,0|2,0,0]=4 5298 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,2,0,0,0,0|1,0,0]=3 5299 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,2,0,0,0,0|1,0,0]=3 5300 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,2,0,0,0,0|2,0,0]=4 5301 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,2,0,0,0,0|2,0,0]=4 5302 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,2,0,0,0,0|1,0,1]=4 5303 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|0,0,1]=3 5304 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|1,0,1]=4 5305 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,2,0,0,0,0|1,0,0]=3 5306 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,2,0,0,0,0|1,0,0]=3 5307 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,2,0,0,0,0|1,0,0]=3 5308 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,2,0,0,0,0|1,0,0]=3 5309 B8R0.6 COCCCN(C)CF 269982a_100000224831_100015361967 [0,2,0,0,0,0|2,0,0]=4 5310 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,2,0,0,0,0|1,0,0]=3 5311 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|1,0,1]=4 5312 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|1,0,1]=4 5313 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,2,0,0,0,0|1,0,0]=3 5314 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,2,0,0,0,0|1,0,0]=3 5315 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,2,0,0,0,0|2,0,0]=4 5316 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,2,0,0,0,0|2,0,0]=4 5317 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,2,0,0,0,0|2,0,0]=4 5318 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,2,0,0,0,0|1,0,0]=3 5319 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,2,0,0,0,0|1,0,0]=3 5320 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,2,0,0,0,0|2,0,0]=4 5321 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,2,0,0,0,0|2,0,0]=4 5322 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,2,0,0,0,0|1,0,0]=3 5323 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,2,0,0,0,0|1,0,0]=3 5324 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,2,0,0,0,0|2,0,0]=4 5325 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,2,0,0,0,0|1,0,0]=3 5326 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,2,0,0,0,0|1,0,0]=3 5327 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,2,0,0,0,0|1,0,0]=3 5328 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,2,0,0,0,0|1,0,0]=3 5329 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,2,0,0,0,0|1,0,0]=3 5330 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,2,0,0,0,0|2,0,0]=4 5331 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,2,0,0,0,0|2,0,0]=4 5332 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,2,0,0,0,0|1,0,0]=3 5333 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,2,0,0,0,0|1,0,0]=3 5334 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,2,0,0,0,0|2,0,0]=4 5335 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,2,0,0,0,0|1,0,0]=3 5336 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,2,0,0,0,0|2,0,0]=4 5337 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|1,0,1]=4 5338 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|1,0,1]=4 5339 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|1,0,1]=4 5340 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,2,0,0,0,0|1,0,0]=3 5341 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,2,0,0,0,0|1,0,0]=3 5342 B8R0.6 CSCCOC(C)CF 34a_100016041109_100000212216 [0,2,0,0,0,0|2,0,0]=4 5343 B8R0.6 CSCCOC(C)CF 7a_100016041109_100000212216 [0,2,0,0,0,0|2,0,0]=4 5344 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [0,2,0,0,0,0|2,0,0]=4 5345 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,2,0,0,0,0|1,0,0]=3 5346 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,2,0,0,0,0|1,0,0]=3 5347 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,2,0,0,0,0|1,0,0]=3 5348 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,2,0,0,0,0|1,0,0]=3 5349 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,2,0,0,0,0|1,0,0]=3 5350 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,2,0,0,0,0|1,0,0]=3 5351 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,2,0,0,0,0|1,0,0]=3 5352 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,2,0,0,0,0|1,0,0]=3 5353 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [0,2,0,0,0,0|2,0,0]=4 5354 B8R0.6 CSCOCC(Cl)CCl 34a_100000033668_100011218213 [0,2,0,0,0,0|2,0,0]=4 5355 B8R0.6 CSCOC[C@H](F)CN 34a_100015665980_100011218213 [0,2,0,0,0,0|2,0,0]=4 5356 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,2,0,0,0,0|1,0,0]=3 5357 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,2,0,0,0,0|1,0,0]=3 5358 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,2,0,0,0,0|1,0,0]=3 5359 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,2,0,0,0,0|1,0,0]=3 5360 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,2,0,0,0,0|2,0,0]=4 5361 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,2,0,0,0,0|2,0,0]=4 5362 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,2,0,0,0,0|1,0,0]=3 5363 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,2,0,0,0,0|1,0,0]=3 5364 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|1,0,0]=3 5365 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,2,0,0,0,0|1,0,0]=3 5366 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,2,0,0,0,0|1,0,0]=3 5367 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,2,0,0,0,0|1,0,0]=3 5368 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,2,0,0,0,0|1,0,0]=3 5369 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,2,0,0,0,0|1,0,0]=3 5370 B8R0.6 C[C@@H](CO)CSCC#N 62a_100000059175_100011215382 [0,2,0,0,0,0|1,0,1]=4 5371 B8R0.6 C[C@@H](CO)CSCC#N 62a_100011215382_100000059175 [0,2,0,0,0,0|1,0,1]=4 5372 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,2,0,0,0,0|1,0,1]=4 5373 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,2,0,0,0,0|1,0,1]=4 5374 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,2,0,0,0,0|1,0,0]=3 5375 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,2,0,0,0,0|1,0,0]=3 5376 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,2,0,0,0,0|1,0,0]=3 5377 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,2,0,0,0,0|1,0,0]=3 5378 B8R0.6 C[C@H](CO)NCCC#N 2230a_100000737577_100011215226 [0,2,0,0,0,0|1,0,1]=4 5379 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,2,0,0,0,0|1,0,0]=3 5380 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,2,0,0,0,0|1,0,0]=3 5381 B8R0.6 C[C@H](CO)SCCC#N 62a_100011215226_100016084084 [0,2,0,0,0,0|1,0,1]=4 5382 B8R0.6 C[C@H](CO)SCCC#N 62a_100016084084_100011215226 [0,2,0,0,0,0|1,0,1]=4 5383 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,2,0,0,0,0|1,0,0]=3 5384 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,2,0,0,0,0|1,0,0]=3 5385 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,2,0,0,0,0|1,0,0]=3 5386 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,2,0,0,0,0|1,0,0]=3 5387 B8R0.6 FCCOCC(Cl)CCl 34a_100000033668_100011217306 [0,2,0,0,0,0|2,0,0]=4 5388 B8R0.6 N#CC(F)SCCCO 62a_100011215043_200000117898 [0,2,0,0,0,0|1,0,1]=4 5389 B8R0.6 N#CC(F)SCCCO 62a_200000117898_100011215043 [0,2,0,0,0,0|1,0,1]=4 5390 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|0,0,2]=4 5391 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,2,0,0,0,0|1,0,1]=4 5392 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,2,0,0,0,0|1,0,1]=4 5393 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,2,0,0,0,0|1,0,1]=4 5394 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,2,0,0,0,0|1,0,1]=4 5395 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,2,0,0,0,0|1,0,1]=4 5396 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,2,0,0,0,0|1,0,0]=3 5397 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,2,0,0,0,0|2,0,0]=4 5398 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,2,0,0,0,0|1,0,0]=3 5399 B8R0.6 NC[C@@H](F)COCCF 34a_100015665980_100011217306 [0,2,0,0,0,0|2,0,0]=4 5400 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,2,0,0,0,0|1,0,0]=3 5401 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|0,0,1]=3 5402 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,2,0,0,0,0|1,0,1]=4 5403 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|0,0,1]=3 5404 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|0,0,1]=3 5405 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|1,0,1]=4 5406 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|1,0,1]=4 5407 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|1,0,1]=4 5408 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|1,0,1]=4 5409 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,2,0,0,0,0|1,0,1]=4 5410 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,2,0,0,0,0|1,0,1]=4 5411 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,2,0,0,0,0|1,0,1]=4 5412 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,2,0,0,0,0|1,0,1]=4 5413 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,2,0,0,0,0|1,0,1]=4 5414 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,2,0,0,0,0|1,0,1]=4 5415 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,2,0,0,0,0|1,0,0]=3 5416 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,2,0,0,0,0|1,0,0]=3 5417 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,2,0,0,0,0|1,0,0]=3 5418 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,2,0,0,0,0|1,0,0]=3 5419 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,2,0,0,0,0|1,0,0]=3 5420 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,2,0,0,0,0|1,0,0]=3 5421 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,2,0,0,0,0|1,0,0]=3 5422 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,2,0,0,0,0|1,0,0]=3 5423 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,2,0,0,0,0|1,0,0]=3 5424 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,2,0,0,0,0|1,0,0]=3 5425 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,2,0,0,0,0|1,0,0]=3 5426 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,2,0,0,0,0|1,0,0]=3 5427 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,2,0,0,0,0|1,0,0]=3 5428 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,2,0,0,0,0|1,0,0]=3 5429 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,2,0,0,0,0|1,0,0]=3 5430 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,2,0,0,0,0|1,0,0]=3 5431 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,2,0,0,0,0|1,0,0]=3 5432 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,2,0,0,0,0|1,0,0]=3 5433 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,2,0,0,0,0|1,0,0]=3 5434 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,2,0,0,0,0|1,0,0]=3 5435 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,2,0,0,0,0|1,0,0]=3 5436 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,2,0,0,0,0|1,0,0]=3 5437 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,2,0,0,0,0|1,0,0]=3 5438 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,2,0,0,0,0|1,0,0]=3 5439 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,2,0,0,0,0|1,0,0]=3 5440 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,2,0,0,0,0|2,0,0]=4 5441 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,2,0,0,0,0|2,0,0]=4 5442 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,2,0,0,0,0|2,0,0]=4 5443 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,2,0,0,0,0|2,0,0]=4 5444 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,2,0,0,0,0|1,0,1]=4 5445 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,2,0,0,0,0|1,0,1]=4 5446 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,2,0,0,0,0|1,0,1]=4 5447 B8R0.7 C#CCCCCN(C)C 2230a_100102631434_100010269958 [0,2,0,0,0,0|1,0,1]=4 5448 B8R0.7 C#CCCCCN(C)C 269982a_100102631434_100010269958 [0,2,0,0,0,0|1,0,1]=4 5449 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [0,2,0,0,0,0|1,0,1]=4 5450 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [0,2,0,0,0,0|1,0,1]=4 5451 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [0,2,0,0,0,0|1,0,1]=4 5452 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,2,0,0,0,0|1,0,1]=4 5453 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,2,0,0,0,0|1,0,1]=4 5454 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,2,0,0,0,0|1,0,1]=4 5455 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [0,2,0,0,0,0|1,0,1]=4 5456 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [0,2,0,0,0,0|1,0,1]=4 5457 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,2,0,0,0,0|1,0,1]=4 5458 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,2,0,0,0,0|1,0,1]=4 5459 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,2,0,0,0,0|1,0,1]=4 5460 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [0,2,0,0,0,0|0,0,2]=4 5461 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [0,2,0,0,0,0|0,0,2]=4 5462 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [0,2,0,0,0,0|0,0,2]=4 5463 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [0,2,0,0,0,0|0,0,2]=4 5464 B8R0.7 C#CCCOCC(C)Br 34a_100012180447_100000688953 [0,2,0,0,0,0|1,0,1]=4 5465 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [0,2,0,0,0,0|1,0,1]=4 5466 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [0,2,0,0,0,0|1,0,1]=4 5467 B8R0.7 C#CCCOCC(C)F 34a_100015925927_100000688953 [0,2,0,0,0,0|1,0,1]=4 5468 B8R0.7 C#CCCOCC(C)O 34a_100011215631_100011218427 [0,2,0,0,0,0|0,0,2]=4 5469 B8R0.7 C#CCCOC[C@@H](C)Cl 34a_100016084084_100000688953 [0,2,0,0,0,0|1,0,1]=4 5470 B8R0.7 C#CCCOC[C@@H](C)N 34a_100000737577_100000688953 [0,2,0,0,0,0|1,0,1]=4 5471 B8R0.7 C#CCCOC[C@@H](C)O 34a_100011215631_100009817552 [0,2,0,0,0,0|0,0,2]=4 5472 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,2,0,0,0,0|1,0,1]=4 5473 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,2,0,0,0,0|1,0,1]=4 5474 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [0,2,0,0,0,0|0,0,2]=4 5475 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [0,2,0,0,0,0|0,0,2]=4 5476 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [0,2,0,0,0,0|0,0,2]=4 5477 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [0,2,0,0,0,0|0,0,2]=4 5478 B8R0.7 C#CCNCCC(C)C 34a_100000212058_100000210312 [0,2,0,0,0,0|1,0,1]=4 5479 B8R0.7 C#CCNCCC(C)O 2230a_200000755665_100000038162 [0,2,0,0,0,0|0,0,2]=4 5480 B8R0.7 C#CCNCCC(C)O 34a_100000212058_100012276601 [0,2,0,0,0,0|0,0,2]=4 5481 B8R0.7 C#CCOCCC(C)Br 34a_100009893172_100000184674 [0,2,0,0,0,0|1,0,1]=4 5482 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [0,2,0,0,0,0|1,0,1]=4 5483 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [0,2,0,0,0,0|1,0,1]=4 5484 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [0,2,0,0,0,0|1,0,1]=4 5485 B8R0.7 C#CCOCCC(C)O 34a_100000210247_100012276601 [0,2,0,0,0,0|0,0,2]=4 5486 B8R0.7 C#CCOCC[C@@H](C)N 34a_100000706166_100000184674 [0,2,0,0,0,0|1,0,1]=4 5487 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,2,0,0,0,0|1,0,1]=4 5488 B8R0.7 C#CCSCCC(C)O 62a_100000038162_100012276601 [0,2,0,0,0,0|0,0,2]=4 5489 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [0,2,0,0,0,0|0,0,2]=4 5490 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [0,2,0,0,0,0|0,0,2]=4 5491 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [0,2,0,0,0,0|0,0,2]=4 5492 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,2,0,0,0,0|0,0,2]=4 5493 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,2,0,0,0,0|0,0,2]=4 5494 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,2,0,0,0,0|0,0,2]=4 5495 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,2,0,0,0,0|0,0,2]=4 5496 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,2,0,0,0,0|1,0,1]=4 5497 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,2,0,0,0,0|0,0,2]=4 5498 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,2,0,0,0,0|1,0,1]=4 5499 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,2,0,0,0,0|0,0,1]=3 5500 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,2,0,0,0,0|0,0,1]=3 5501 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,2,0,0,0,0|1,0,1]=4 5502 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,2,0,0,0,0|1,0,1]=4 5503 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,2,0,0,0,0|1,0,1]=4 5504 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,2,0,0,0,0|1,0,1]=4 5505 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,2,0,0,0,0|1,0,1]=4 5506 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,2,0,0,0,0|0,0,1]=3 5507 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,2,0,0,0,0|1,0,1]=4 5508 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,2,0,0,0,0|1,0,1]=4 5509 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,2,0,0,0,0|1,0,1]=4 5510 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,2,0,0,0,0|1,0,1]=4 5511 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,2,0,0,0,0|0,0,1]=3 5512 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,2,0,0,0,0|0,0,1]=3 5513 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,2,0,0,0,0|1,0,1]=4 5514 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,2,0,0,0,0|1,0,1]=4 5515 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,2,0,0,0,0|1,0,1]=4 5516 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,2,0,0,0,0|1,0,1]=4 5517 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,2,0,0,0,0|1,0,1]=4 5518 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,2,0,0,0,0|1,0,1]=4 5519 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,2,0,0,0,0|1,0,1]=4 5520 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,2,0,0,0,0|1,0,1]=4 5521 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,2,0,0,0,0|1,0,1]=4 5522 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,2,0,0,0,0|1,0,1]=4 5523 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,2,0,0,0,0|1,0,1]=4 5524 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,2,0,0,0,0|1,0,1]=4 5525 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,2,0,0,0,0|1,0,1]=4 5526 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,2,0,0,0,0|1,0,1]=4 5527 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,2,0,0,0,0|1,0,1]=4 5528 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,2,0,0,0,0|0,0,1]=3 5529 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,2,0,0,0,0|1,0,1]=4 5530 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,2,0,0,0,0|1,0,1]=4 5531 B8R0.7 C=C(C)COCCON 34a_100000700252_100000748629 [0,2,0,0,0,0|1,0,1]=4 5532 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,2,0,0,0,0|1,0,1]=4 5533 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,2,0,0,0,0|1,0,1]=4 5534 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,2,0,0,0,0|1,0,1]=4 5535 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,2,0,0,0,0|1,0,1]=4 5536 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,2,0,0,0,0|0,0,1]=3 5537 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,2,0,0,0,0|0,0,1]=3 5538 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,2,0,0,0,0|1,0,1]=4 5539 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,2,0,0,0,0|1,0,1]=4 5540 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,2,0,0,0,0|1,0,1]=4 5541 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,2,0,0,0,0|1,0,1]=4 5542 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,2,0,0,0,0|1,0,1]=4 5543 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,2,0,0,0,0|1,0,1]=4 5544 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,2,0,0,0,0|1,0,1]=4 5545 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,2,0,0,0,0|0,0,2]=4 5546 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,2,0,0,0,0|1,0,1]=4 5547 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,2,0,0,0,0|1,0,1]=4 5548 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,2,0,0,0,0|0,0,2]=4 5549 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,2,0,0,0,0|0,0,2]=4 5550 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,2,0,0,0,0|1,0,1]=4 5551 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,2,0,0,0,0|1,0,1]=4 5552 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,2,0,0,0,0|1,0,1]=4 5553 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,2,0,0,0,0|1,0,1]=4 5554 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,2,0,0,0,0|1,0,1]=4 5555 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,2,0,0,0,0|1,0,1]=4 5556 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,2,0,0,0,0|1,0,1]=4 5557 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,2,0,0,0,0|1,0,1]=4 5558 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,2,0,0,0,0|1,0,1]=4 5559 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,2,0,0,0,0|1,0,1]=4 5560 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,2,0,0,0,0|1,0,1]=4 5561 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,2,0,0,0,0|1,0,1]=4 5562 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,2,0,0,0,0|1,0,1]=4 5563 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,2,0,0,0,0|1,0,1]=4 5564 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,2,0,0,0,0|1,0,1]=4 5565 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,2,0,0,0,0|1,0,1]=4 5566 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,2,0,0,0,0|1,0,1]=4 5567 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,2,0,0,0,0|1,0,1]=4 5568 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,2,0,0,0,0|1,0,1]=4 5569 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,2,0,0,0,0|1,0,1]=4 5570 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,2,0,0,0,0|1,0,1]=4 5571 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,2,0,0,0,0|1,0,1]=4 5572 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,2,0,0,0,0|0,0,2]=4 5573 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,2,0,0,0,0|0,0,2]=4 5574 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,2,0,0,0,0|0,0,2]=4 5575 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,2,0,0,0,0|0,0,2]=4 5576 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [0,2,0,0,0,0|1,0,1]=4 5577 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,2,0,0,0,0|1,0,1]=4 5578 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,2,0,0,0,0|1,0,1]=4 5579 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [0,2,0,0,0,0|1,0,1]=4 5580 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,2,0,0,0,0|0,0,2]=4 5581 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,2,0,0,0,0|1,0,1]=4 5582 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,2,0,0,0,0|1,0,1]=4 5583 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,2,0,0,0,0|0,0,2]=4 5584 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,2,0,0,0,0|1,0,1]=4 5585 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,2,0,0,0,0|1,0,1]=4 5586 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,2,0,0,0,0|0,0,2]=4 5587 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,2,0,0,0,0|0,0,2]=4 5588 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,2,0,0,0,0|0,0,2]=4 5589 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,2,0,0,0,0|0,0,2]=4 5590 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,2,0,0,0,0|1,0,1]=4 5591 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,2,0,0,0,0|0,0,2]=4 5592 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,2,0,0,0,0|0,0,2]=4 5593 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,2,0,0,0,0|1,0,1]=4 5594 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,2,0,0,0,0|1,0,1]=4 5595 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,2,0,0,0,0|1,0,1]=4 5596 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,2,0,0,0,0|1,0,1]=4 5597 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,2,0,0,0,0|0,0,2]=4 5598 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,2,0,0,0,0|1,0,1]=4 5599 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,2,0,0,0,0|1,0,1]=4 5600 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,2,0,0,0,0|1,0,1]=4 5601 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,2,0,0,0,0|0,0,2]=4 5602 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,2,0,0,0,0|0,0,2]=4 5603 B8R0.7 CC#CCNCC(C)O 2230a_100000210904_100000748600 [0,2,0,0,0,0|0,0,2]=4 5604 B8R0.7 CC#CCNCC(C)O 2230a_100000685387_100011218427 [0,2,0,0,0,0|0,0,2]=4 5605 B8R0.7 CC#CCNCC(C)O 34a_100000210904_100000748600 [0,2,0,0,0,0|0,0,2]=4 5606 B8R0.7 CC#CCNCC(C)O 34a_100000685387_100011218427 [0,2,0,0,0,0|0,0,2]=4 5607 B8R0.7 CC#CCNC[C@@H](C)O 2230a_100000685387_100009817552 [0,2,0,0,0,0|0,0,2]=4 5608 B8R0.7 CC#CCNC[C@@H](C)O 34a_100000685387_100009817552 [0,2,0,0,0,0|0,0,2]=4 5609 B8R0.7 CC#CCOCC(C)O 34a_100000761923_100011218427 [0,2,0,0,0,0|0,0,2]=4 5610 B8R0.7 CC#CCOC[C@@H](C)O 34a_100000761923_100009817552 [0,2,0,0,0,0|0,0,2]=4 5611 B8R0.7 CC#CCSCC(C)O 62a_100000748600_100011218427 [0,2,0,0,0,0|0,0,2]=4 5612 B8R0.7 CC#CCSCC(C)O 62a_100011218427_100000748600 [0,2,0,0,0,0|0,0,2]=4 5613 B8R0.7 CC#CCSC[C@@H](C)O 62a_100000748600_100009817552 [0,2,0,0,0,0|0,0,2]=4 5614 B8R0.7 CC#CCSC[C@@H](C)O 62a_100009817552_100000748600 [0,2,0,0,0,0|0,0,2]=4 5615 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,2,0,0,0,0|0,0,2]=4 5616 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,2,0,0,0,0|0,0,2]=4 5617 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,2,0,0,0,0|0,0,2]=4 5618 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [0,2,0,0,0,0|0,0,2]=4 5619 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,2,0,0,0,0|0,0,2]=4 5620 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [0,2,0,0,0,0|0,0,2]=4 5621 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,2,0,0,0,0|1,0,1]=4 5622 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,2,0,0,0,0|1,0,0]=3 5623 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,2,0,0,0,0|0,0,0]=2 5624 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,2,0,0,0,0|0,0,0]=2 5625 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,2,0,0,0,0|0,0,2]=4 5626 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,2,0,0,0,0|0,0,2]=4 5627 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,2,0,0,0,0|1,0,1]=4 5628 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,2,0,0,0,0|1,0,1]=4 5629 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,2,0,0,0,0|1,0,1]=4 5630 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,2,0,0,0,0|1,0,1]=4 5631 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,2,0,0,0,0|1,0,1]=4 5632 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,2,0,0,0,0|1,0,1]=4 5633 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,2,0,0,0,0|0,0,1]=3 5634 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,2,0,0,0,0|0,0,1]=3 5635 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,2,0,0,0,0|0,0,1]=3 5636 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,2,0,0,0,0|0,0,1]=3 5637 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,2,0,0,0,0|1,0,1]=4 5638 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,2,0,0,0,0|1,0,1]=4 5639 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,2,0,0,0,0|0,0,1]=3 5640 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,2,0,0,0,0|0,0,1]=3 5641 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,2,0,0,0,0|1,0,1]=4 5642 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,2,0,0,0,0|0,0,1]=3 5643 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,2,0,0,0,0|0,0,1]=3 5644 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,2,0,0,0,0|0,0,1]=3 5645 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,2,0,0,0,0|1,0,1]=4 5646 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,2,0,0,0,0|1,0,1]=4 5647 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,2,0,0,0,0|1,0,1]=4 5648 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,2,0,0,0,0|1,0,1]=4 5649 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,2,0,0,0,0|0,0,2]=4 5650 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [0,2,0,0,0,0|1,0,0]=3 5651 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,2,0,0,0,0|0,0,0]=2 5652 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [0,2,0,0,0,0|1,0,0]=3 5653 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,2,0,0,0,0|0,0,0]=2 5654 B8R0.7 CC(C)C=NNCCO 4a_100000210001_100000210432 [0,2,0,0,0,0|1,0,1]=4 5655 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,2,0,0,0,0|0,0,0]=2 5656 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,2,0,0,0,0|0,0,0]=2 5657 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,2,0,0,0,0|0,1,0]=3 5658 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,2,0,0,0,0|0,1,0]=3 5659 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,2,0,0,0,0|1,0,0]=3 5660 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,2,0,0,0,0|1,0,0]=3 5661 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,2,0,0,0,0|1,0,0]=3 5662 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,2,0,0,0,0|1,0,0]=3 5663 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,2,0,0,0,0|1,0,0]=3 5664 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,2,0,0,0,0|1,0,0]=3 5665 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,2,0,0,0,0|1,0,0]=3 5666 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,2,0,0,0,0|0,0,0]=2 5667 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,2,0,0,0,0|0,0,0]=2 5668 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,2,0,0,0,0|0,0,0]=2 5669 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [0,2,0,0,0,0|1,0,1]=4 5670 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,2,0,0,0,0|0,0,2]=4 5671 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,2,0,0,0,0|0,0,2]=4 5672 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,2,0,0,0,0|1,0,0]=3 5673 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,2,0,0,0,0|1,0,0]=3 5674 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,2,0,0,0,0|1,0,0]=3 5675 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,2,0,0,0,0|1,0,0]=3 5676 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,2,0,0,0,0|0,0,0]=2 5677 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,2,0,0,0,0|0,0,0]=2 5678 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,2,0,0,0,0|1,0,1]=4 5679 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,2,0,0,0,0|1,0,1]=4 5680 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,2,0,0,0,0|0,0,2]=4 5681 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,2,0,0,0,0|0,0,2]=4 5682 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,2,0,0,0,0|1,0,0]=3 5683 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,2,0,0,0,0|1,0,0]=3 5684 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,2,0,0,0,0|0,0,0]=2 5685 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,2,0,0,0,0|0,0,0]=2 5686 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,2,0,0,0,0|1,0,1]=4 5687 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,2,0,0,0,0|1,0,1]=4 5688 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,2,0,0,0,0|1,0,0]=3 5689 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,2,0,0,0,0|1,0,0]=3 5690 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,2,0,0,0,0|1,0,0]=3 5691 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,2,0,0,0,0|1,0,0]=3 5692 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,2,0,0,0,0|1,0,0]=3 5693 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,2,0,0,0,0|0,0,0]=2 5694 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,2,0,0,0,0|0,0,0]=2 5695 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,2,0,0,0,0|0,0,0]=2 5696 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,2,0,0,0,0|1,0,0]=3 5697 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,2,0,0,0,0|1,0,0]=3 5698 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,2,0,0,0,0|1,0,0]=3 5699 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,2,0,0,0,0|1,0,0]=3 5700 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,2,0,0,0,0|1,0,0]=3 5701 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,2,0,0,0,0|1,0,0]=3 5702 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,2,0,0,0,0|0,0,0]=2 5703 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [0,2,0,0,0,0|1,0,0]=3 5704 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,2,0,0,0,0|1,0,0]=3 5705 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,2,0,0,0,0|1,0,0]=3 5706 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,2,0,0,0,0|1,0,1]=4 5707 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,2,0,0,0,0|1,0,1]=4 5708 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,2,0,0,0,0|1,0,0]=3 5709 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,2,0,0,0,0|1,0,0]=3 5710 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,2,0,0,0,0|0,0,0]=2 5711 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,2,0,0,0,0|0,0,0]=2 5712 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,2,0,0,0,0|1,0,0]=3 5713 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,2,0,0,0,0|1,0,0]=3 5714 B8R0.7 CC(C)NCC#CCO 2230a_100138425928_200000047223 [0,2,0,0,0,0|0,0,2]=4 5715 B8R0.7 CC(C)NCC#CCO 34a_100138425928_200000047223 [0,2,0,0,0,0|0,0,2]=4 5716 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [0,2,0,0,0,0|1,0,1]=4 5717 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,2,0,0,0,0|0,0,2]=4 5718 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,2,0,0,0,0|1,0,0]=3 5719 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,2,0,0,0,0|1,0,0]=3 5720 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,2,0,0,0,0|0,0,0]=2 5721 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,2,0,0,0,0|0,0,0]=2 5722 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,2,0,0,0,0|0,0,0]=2 5723 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,2,0,0,0,0|0,0,0]=2 5724 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,2,0,0,0,0|1,0,0]=3 5725 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [0,2,0,0,0,0|2,0,0]=4 5726 B8R0.7 CC(C)OCC#CCO 34a_100000212225_200000047223 [0,2,0,0,0,0|0,0,2]=4 5727 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,2,0,0,0,0|1,0,0]=3 5728 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,2,0,0,0,0|1,0,0]=3 5729 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,2,0,0,0,0|1,0,0]=3 5730 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,2,0,0,0,0|1,0,0]=3 5731 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,2,0,0,0,0|1,0,0]=3 5732 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,2,0,0,0,0|1,0,0]=3 5733 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,2,0,0,0,0|1,0,0]=3 5734 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,2,0,0,0,0|1,0,0]=3 5735 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,2,0,0,0,0|0,0,0]=2 5736 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,2,0,0,0,0|2,0,0]=4 5737 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,2,0,0,0,0|2,0,0]=4 5738 B8R0.7 CC(C)OCCNCF 34a_100000701111_100015361967 [0,2,0,0,0,0|2,0,0]=4 5739 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [0,2,0,0,0,0|2,0,0]=4 5740 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [0,2,0,0,0,0|2,0,0]=4 5741 B8R0.7 CC(C)OCCSCF 62a_100000211751_100015361967 [0,2,0,0,0,0|2,0,0]=4 5742 B8R0.7 CC(C)OCCSCF 62a_100015361967_100000211751 [0,2,0,0,0,0|2,0,0]=4 5743 B8R0.7 CC(C)OCNCCF 34a_100000724931_100000709892 [0,2,0,0,0,0|2,0,0]=4 5744 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [0,2,0,0,0,0|1,0,0]=3 5745 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [0,2,0,0,0,0|1,0,0]=3 5746 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [0,2,0,0,0,0|2,0,0]=4 5747 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [0,2,0,0,0,0|2,0,0]=4 5748 B8R0.7 CC(C)OCSCCF 62a_100000709892_100011217306 [0,2,0,0,0,0|2,0,0]=4 5749 B8R0.7 CC(C)OCSCCF 62a_100011217306_100000709892 [0,2,0,0,0,0|2,0,0]=4 5750 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [0,2,0,0,0,0|1,0,0]=3 5751 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [0,2,0,0,0,0|1,0,0]=3 5752 B8R0.7 CC(C)SCC#CCO 62a_100000210206_200000047223 [0,2,0,0,0,0|0,0,2]=4 5753 B8R0.7 CC(C)SCC#CCO 62a_200000047223_100000210206 [0,2,0,0,0,0|0,0,2]=4 5754 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [0,2,0,0,0,0|1,0,1]=4 5755 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [0,2,0,0,0,0|1,0,1]=4 5756 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,2,0,0,0,0|0,0,2]=4 5757 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,2,0,0,0,0|0,0,2]=4 5758 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,2,0,0,0,0|1,0,0]=3 5759 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,2,0,0,0,0|1,0,0]=3 5760 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,2,0,0,0,0|0,0,0]=2 5761 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,2,0,0,0,0|0,0,0]=2 5762 B8R0.7 CC(C)SCCNCF 34a_100000731138_100015361967 [0,2,0,0,0,0|2,0,0]=4 5763 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [0,2,0,0,0,0|2,0,0]=4 5764 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [0,2,0,0,0,0|2,0,0]=4 5765 B8R0.7 CC(C)SCCSCF 62a_100000730970_100015361967 [0,2,0,0,0,0|2,0,0]=4 5766 B8R0.7 CC(C)SCCSCF 62a_100015361967_100000730970 [0,2,0,0,0,0|2,0,0]=4 5767 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [0,2,0,0,0,0|1,0,0]=3 5768 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,2,0,0,0,0|0,0,0]=2 5769 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,2,0,0,0,0|1,0,0]=3 5770 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,2,0,0,0,0|1,0,0]=3 5771 B8R0.7 CC(O)CCNCC#N 2230a_200000755665_100011215382 [0,2,0,0,0,0|1,0,1]=4 5772 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,2,0,0,0,0|0,0,2]=4 5773 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,2,0,0,0,0|1,0,0]=3 5774 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,2,0,0,0,0|1,0,0]=3 5775 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,2,0,0,0,0|0,0,0]=2 5776 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,2,0,0,0,0|0,0,0]=2 5777 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,2,0,0,0,0|0,0,0]=2 5778 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,2,0,0,0,0|1,0,0]=3 5779 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,2,0,0,0,0|1,0,0]=3 5780 B8R0.7 CC(O)CCSCC#N 62a_100011215382_100012276601 [0,2,0,0,0,0|1,0,1]=4 5781 B8R0.7 CC(O)CCSCC#N 62a_100012276601_100011215382 [0,2,0,0,0,0|1,0,1]=4 5782 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,2,0,0,0,0|0,0,2]=4 5783 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,2,0,0,0,0|0,0,2]=4 5784 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,2,0,0,0,0|1,0,0]=3 5785 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,2,0,0,0,0|1,0,0]=3 5786 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,2,0,0,0,0|0,0,0]=2 5787 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,2,0,0,0,0|0,0,0]=2 5788 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [0,2,0,0,0,0|1,0,1]=4 5789 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,2,0,0,0,0|1,0,0]=3 5790 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,2,0,0,0,0|1,0,0]=3 5791 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,2,0,0,0,0|1,0,0]=3 5792 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,2,0,0,0,0|1,0,0]=3 5793 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,2,0,0,0,0|0,0,0]=2 5794 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|0,0,0]=2 5795 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,2,0,0,0,0|1,0,0]=3 5796 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,2,0,0,0,0|1,0,0]=3 5797 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,2,0,0,0,0|1,0,0]=3 5798 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,2,0,0,0,0|1,0,0]=3 5799 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [0,2,0,0,0,0|1,0,0]=3 5800 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [0,2,0,0,0,0|1,0,1]=4 5801 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [0,2,0,0,0,0|1,0,1]=4 5802 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,2,0,0,0,0|1,0,0]=3 5803 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,2,0,0,0,0|1,0,0]=3 5804 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,2,0,0,0,0|0,0,0]=2 5805 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,2,0,0,0,0|0,0,0]=2 5806 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [0,2,0,0,0,0|0,0,2]=4 5807 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [0,2,0,0,0,0|0,0,2]=4 5808 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,2,0,0,0,0|0,0,2]=4 5809 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,2,0,0,0,0|0,0,2]=4 5810 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,2,0,0,0,0|0,0,2]=4 5811 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,2,0,0,0,0|0,0,2]=4 5812 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [0,2,0,0,0,0|1,0,1]=4 5813 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,2,0,0,0,0|0,0,1]=3 5814 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,2,0,0,0,0|0,0,1]=3 5815 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,2,0,0,0,0|0,0,1]=3 5816 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,2,0,0,0,0|1,0,0]=3 5817 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,2,0,0,0,0|1,0,0]=3 5818 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,2,0,0,0,0|1,0,0]=3 5819 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,2,0,0,0,0|1,0,0]=3 5820 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,2,0,0,0,0|1,0,0]=3 5821 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,2,0,0,0,0|1,0,0]=3 5822 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,2,0,0,0,0|0,0,2]=4 5823 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,2,0,0,0,0|0,0,2]=4 5824 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,2,0,0,0,0|0,0,2]=4 5825 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,2,0,0,0,0|0,0,2]=4 5826 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,2,0,0,0,0|1,0,0]=3 5827 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,2,0,0,0,0|1,0,0]=3 5828 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,2,0,0,0,0|1,0,0]=3 5829 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,2,0,0,0,0|1,0,0]=3 5830 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,2,0,0,0,0|1,0,0]=3 5831 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,2,0,0,0,0|1,0,0]=3 5832 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,2,0,0,0,0|1,0,0]=3 5833 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,2,0,0,0,0|1,0,0]=3 5834 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,2,0,0,0,0|0,0,2]=4 5835 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,2,0,0,0,0|0,0,2]=4 5836 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,2,0,0,0,0|0,0,2]=4 5837 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|0,0,1]=3 5838 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,2,0,0,0,0|1,0,0]=3 5839 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,2,0,0,0,0|1,0,0]=3 5840 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,2,0,0,0,0|1,0,0]=3 5841 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,2,0,0,0,0|1,0,0]=3 5842 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,2,0,0,0,0|1,0,0]=3 5843 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,2,0,0,0,0|0,0,0]=2 5844 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,2,0,0,0,0|0,0,0]=2 5845 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,2,0,0,0,0|0,0,0]=2 5846 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,2,0,0,0,0|0,0,0]=2 5847 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,2,0,0,0,0|1,0,0]=3 5848 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,2,0,0,0,0|1,0,0]=3 5849 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,2,0,0,0,0|1,0,0]=3 5850 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,2,0,0,0,0|0,0,0]=2 5851 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,2,0,0,0,0|0,0,0]=2 5852 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,2,0,0,0,0|0,0,2]=4 5853 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,2,0,0,0,0|0,0,2]=4 5854 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,2,0,0,0,0|0,0,2]=4 5855 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,2,0,0,0,0|0,0,2]=4 5856 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,2,0,0,0,0|0,0,2]=4 5857 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,2,0,0,0,0|0,0,2]=4 5858 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,2,0,0,0,0|0,0,2]=4 5859 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,2,0,0,0,0|1,0,0]=3 5860 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,2,0,0,0,0|1,0,0]=3 5861 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,2,0,0,0,0|1,0,0]=3 5862 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,2,0,0,0,0|1,0,0]=3 5863 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,2,0,0,0,0|1,0,0]=3 5864 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,2,0,0,0,0|0,0,0]=2 5865 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,2,0,0,0,0|0,0,0]=2 5866 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [0,2,0,0,0,0|1,0,0]=3 5867 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [0,2,0,0,0,0|1,0,0]=3 5868 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [0,2,0,0,0,0|1,0,0]=3 5869 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,2,0,0,0,0|2,0,0]=4 5870 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,2,0,0,0,0|2,0,0]=4 5871 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,2,0,0,0,0|1,0,0]=3 5872 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,2,0,0,0,0|1,0,0]=3 5873 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,2,0,0,0,0|0,0,0]=2 5874 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,2,0,0,0,0|0,0,0]=2 5875 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,2,0,0,0,0|1,0,1]=4 5876 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,2,0,0,0,0|0,0,2]=4 5877 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,2,0,0,0,0|0,0,2]=4 5878 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,2,0,0,0,0|0,0,2]=4 5879 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,2,0,0,0,0|0,0,2]=4 5880 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,2,0,0,0,0|0,0,2]=4 5881 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,2,0,0,0,0|0,0,2]=4 5882 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,2,0,0,0,0|1,0,0]=3 5883 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,2,0,0,0,0|1,0,0]=3 5884 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,2,0,0,0,0|0,0,0]=2 5885 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,2,0,0,0,0|0,0,0]=2 5886 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,2,0,0,0,0|1,0,0]=3 5887 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,2,0,0,0,0|1,0,0]=3 5888 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,2,0,0,0,0|0,0,0]=2 5889 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,2,0,0,0,0|0,0,0]=2 5890 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,2,0,0,0,0|1,0,1]=4 5891 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,2,0,0,0,0|1,0,0]=3 5892 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,2,0,0,0,0|0,0,0]=2 5893 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,2,0,0,0,0|1,0,1]=4 5894 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,2,0,0,0,0|0,0,2]=4 5895 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,2,0,0,0,0|0,0,2]=4 5896 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,2,0,0,0,0|0,0,2]=4 5897 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,2,0,0,0,0|0,0,2]=4 5898 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,2,0,0,0,0|0,0,2]=4 5899 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,2,0,0,0,0|0,0,2]=4 5900 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,2,0,0,0,0|1,0,0]=3 5901 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,2,0,0,0,0|1,0,0]=3 5902 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,2,0,0,0,0|1,0,0]=3 5903 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,2,0,0,0,0|1,0,0]=3 5904 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,2,0,0,0,0|0,0,0]=2 5905 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [0,2,0,0,0,0|1,0,0]=3 5906 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,2,0,0,0,0|2,0,0]=4 5907 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,2,0,0,0,0|2,0,0]=4 5908 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,2,0,0,0,0|1,0,0]=3 5909 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,2,0,0,0,0|2,0,0]=4 5910 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,2,0,0,0,0|0,0,2]=4 5911 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,2,0,0,0,0|0,0,2]=4 5912 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,2,0,0,0,0|0,0,2]=4 5913 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,2,0,0,0,0|0,0,2]=4 5914 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,2,0,0,0,0|1,0,0]=3 5915 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,2,0,0,0,0|1,0,0]=3 5916 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,2,0,0,0,0|0,0,0]=2 5917 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,2,0,0,0,0|0,0,0]=2 5918 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,2,0,0,0,0|2,0,0]=4 5919 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [0,2,0,0,0,0|2,0,0]=4 5920 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [0,2,0,0,0,0|2,0,0]=4 5921 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,2,0,0,0,0|0,0,2]=4 5922 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,2,0,0,0,0|1,0,0]=3 5923 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,2,0,0,0,0|1,0,0]=3 5924 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,2,0,0,0,0|1,0,0]=3 5925 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,2,0,0,0,0|0,0,0]=2 5926 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,2,0,0,0,0|1,0,1]=4 5927 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,2,0,0,0,0|2,0,0]=4 5928 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,2,0,0,0,0|2,0,0]=4 5929 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,2,0,0,0,0|2,0,0]=4 5930 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [0,2,0,0,0,0|2,0,0]=4 5931 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [0,2,0,0,0,0|2,0,0]=4 5932 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [0,2,0,0,0,0|2,0,0]=4 5933 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,2,0,0,0,0|0,0,2]=4 5934 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,2,0,0,0,0|0,0,2]=4 5935 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,2,0,0,0,0|0,0,2]=4 5936 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,2,0,0,0,0|0,0,2]=4 5937 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,2,0,0,0,0|0,0,2]=4 5938 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,2,0,0,0,0|1,0,0]=3 5939 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,2,0,0,0,0|1,0,0]=3 5940 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,2,0,0,0,0|1,0,0]=3 5941 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,2,0,0,0,0|0,0,0]=2 5942 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,2,0,0,0,0|2,0,0]=4 5943 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,2,0,0,0,0|2,0,0]=4 5944 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,2,0,0,0,0|1,0,1]=4 5945 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [0,2,0,0,0,0|2,0,0]=4 5946 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [0,2,0,0,0,0|2,0,0]=4 5947 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [0,2,0,0,0,0|2,0,0]=4 5948 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [0,2,0,0,0,0|2,0,0]=4 5949 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [0,2,0,0,0,0|2,0,0]=4 5950 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,2,0,0,0,0|2,0,0]=4 5951 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,2,0,0,0,0|2,0,0]=4 5952 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,2,0,0,0,0|2,0,0]=4 5953 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,2,0,0,0,0|2,0,0]=4 5954 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,2,0,0,0,0|2,0,0]=4 5955 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,2,0,0,0,0|2,0,0]=4 5956 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [0,2,0,0,0,0|2,0,0]=4 5957 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [0,2,0,0,0,0|2,0,0]=4 5958 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [0,2,0,0,0,0|2,0,0]=4 5959 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [0,2,0,0,0,0|2,0,0]=4 5960 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [0,2,0,0,0,0|2,0,0]=4 5961 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,2,0,0,0,0|1,0,1]=4 5962 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,2,0,0,0,0|2,0,0]=4 5963 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,2,0,0,0,0|2,0,0]=4 5964 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,2,0,0,0,0|1,0,0]=3 5965 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,2,0,0,0,0|1,0,0]=3 5966 B8R0.7 CCOCSCC(F)F 62a_100000739092_100011934356 [0,2,0,0,0,0|2,0,0]=4 5967 B8R0.7 CCOCSCC(F)F 62a_100011934356_100000739092 [0,2,0,0,0,0|2,0,0]=4 5968 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,2,0,0,0,0|1,0,0]=3 5969 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,2,0,0,0,0|1,0,0]=3 5970 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,2,0,0,0,0|0,0,2]=4 5971 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,2,0,0,0,0|0,0,2]=4 5972 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,2,0,0,0,0|0,0,2]=4 5973 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,2,0,0,0,0|0,0,2]=4 5974 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,2,0,0,0,0|1,0,0]=3 5975 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,2,0,0,0,0|1,0,0]=3 5976 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,2,0,0,0,0|0,0,0]=2 5977 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,2,0,0,0,0|0,0,0]=2 5978 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,2,0,0,0,0|2,0,0]=4 5979 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [0,2,0,0,0,0|2,0,0]=4 5980 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [0,2,0,0,0,0|2,0,0]=4 5981 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [0,2,0,0,0,0|2,0,0]=4 5982 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,2,0,0,0,0|2,0,0]=4 5983 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,2,0,0,0,0|2,0,0]=4 5984 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,2,0,0,0,0|2,0,0]=4 5985 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,2,0,0,0,0|2,0,0]=4 5986 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,2,0,0,0,0|2,0,0]=4 5987 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [0,2,0,0,0,0|2,0,0]=4 5988 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [0,2,0,0,0,0|2,0,0]=4 5989 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [0,2,0,0,0,0|2,0,0]=4 5990 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [0,2,0,0,0,0|2,0,0]=4 5991 B8R0.7 CN(C)CCCCC#N 2230a_100102631434_100000211819 [0,2,0,0,0,0|1,0,1]=4 5992 B8R0.7 CN(C)CCCCC#N 269982a_100102631434_100011219923 [0,2,0,0,0,0|1,0,1]=4 5993 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,2,0,0,0,0|0,0,2]=4 5994 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,2,0,0,0,0|0,0,2]=4 5995 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [0,2,0,0,0,0|1,0,0]=3 5996 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [0,2,0,0,0,0|1,0,0]=3 5997 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,2,0,0,0,0|0,0,0]=2 5998 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,2,0,0,0,0|0,0,0]=2 5999 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,2,0,0,0,0|0,0,0]=2 6000 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,2,0,0,0,0|0,0,0]=2 6001 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,2,0,0,0,0|1,1,0]=4 6002 B8R0.7 CN(C)CCCSCF 62a_100015361967_100000757444 [0,2,0,0,0,0|2,0,0]=4 6003 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,2,0,0,0,0|1,0,0]=3 6004 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,2,0,0,0,0|1,0,0]=3 6005 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,2,0,0,0,0|1,0,0]=3 6006 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,2,0,0,0,0|1,0,0]=3 6007 B8R0.7 CN(C)CCSCCF 62a_100011217306_100000755713 [0,2,0,0,0,0|2,0,0]=4 6008 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,2,0,0,0,0|1,0,0]=3 6009 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,2,0,0,0,0|0,0,0]=2 6010 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,2,0,0,0,0|0,0,0]=2 6011 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,2,0,0,0,0|1,0,0]=3 6012 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,2,0,0,0,0|1,0,0]=3 6013 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,2,0,0,0,0|1,0,0]=3 6014 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,2,0,0,0,0|1,0,0]=3 6015 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,2,0,0,0,0|1,0,0]=3 6016 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,2,0,0,0,0|0,0,2]=4 6017 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,2,0,0,0,0|0,0,2]=4 6018 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,2,0,0,0,0|0,0,2]=4 6019 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,2,0,0,0,0|1,0,0]=3 6020 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,2,0,0,0,0|1,0,0]=3 6021 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,2,0,0,0,0|1,0,0]=3 6022 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,2,0,0,0,0|2,0,0]=4 6023 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,2,0,0,0,0|2,0,0]=4 6024 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,2,0,0,0,0|2,0,0]=4 6025 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,2,0,0,0,0|1,0,1]=4 6026 B8R0.7 CNCCOCC(F)F 2230a_106832991635_200012177212 [0,2,0,0,0,0|2,0,0]=4 6027 B8R0.7 CNCCOCC(F)F 34a_100102657272_200012177212 [0,2,0,0,0,0|2,0,0]=4 6028 B8R0.7 CNCCOCC(F)F 7a_106832991635_200012177212 [0,2,0,0,0,0|2,0,0]=4 6029 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,2,0,0,0,0|1,0,0]=3 6030 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,2,0,0,0,0|0,0,1]=3 6031 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,2,0,0,0,0|0,0,1]=3 6032 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,2,0,0,0,0|0,0,2]=4 6033 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,2,0,0,0,0|0,0,2]=4 6034 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,2,0,0,0,0|0,0,0]=2 6035 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,2,0,0,0,0|0,0,0]=2 6036 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,2,0,0,0,0|0,0,0]=2 6037 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,2,0,0,0,0|1,0,0]=3 6038 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,2,0,0,0,0|1,0,0]=3 6039 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,2,0,0,0,0|1,0,1]=4 6040 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,2,0,0,0,0|1,0,1]=4 6041 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,2,0,0,0,0|1,0,1]=4 6042 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,2,0,0,0,0|1,0,1]=4 6043 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,2,0,0,0,0|1,0,1]=4 6044 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,2,0,0,0,0|1,0,1]=4 6045 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,2,0,0,0,0|1,0,0]=3 6046 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,2,0,0,0,0|1,0,0]=3 6047 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,2,0,0,0,0|1,0,0]=3 6048 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,2,0,0,0,0|1,0,0]=3 6049 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,2,0,0,0,0|1,0,1]=4 6050 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,2,0,0,0,0|1,0,1]=4 6051 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,2,0,0,0,0|1,0,0]=3 6052 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,2,0,0,0,0|1,0,0]=3 6053 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,2,0,0,0,0|1,0,1]=4 6054 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,2,0,0,0,0|1,0,0]=3 6055 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,2,0,0,0,0|1,0,0]=3 6056 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|1,0,1]=4 6057 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,2,0,0,0,0|1,0,0]=3 6058 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,2,0,0,0,0|1,0,0]=3 6059 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,2,0,0,0,0|1,0,0]=3 6060 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,2,0,0,0,0|1,0,0]=3 6061 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,2,0,0,0,0|1,0,0]=3 6062 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,2,0,0,0,0|1,0,0]=3 6063 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,2,0,0,0,0|1,0,0]=3 6064 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,2,0,0,0,0|1,0,0]=3 6065 B8R0.7 COCCNCC(F)F 2230a_100000209980_100011934356 [0,2,0,0,0,0|2,0,0]=4 6066 B8R0.7 COCCNCC(F)F 34a_100000765723_100011201679 [0,2,0,0,0,0|2,0,0]=4 6067 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,2,0,0,0,0|1,0,0]=3 6068 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,2,0,0,0,0|1,0,1]=4 6069 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,2,0,0,0,0|1,0,1]=4 6070 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,2,0,0,0,0|1,0,1]=4 6071 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [0,2,0,0,0,0|1,0,0]=3 6072 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,2,0,0,0,0|1,0,0]=3 6073 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,2,0,0,0,0|1,0,0]=3 6074 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,2,0,0,0,0|1,0,0]=3 6075 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,2,0,0,0,0|1,0,0]=3 6076 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [0,2,0,0,0,0|1,0,0]=3 6077 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,2,0,0,0,0|1,0,0]=3 6078 B8R0.7 COCCOCC(F)F 34a_100000210237_100011934356 [0,2,0,0,0,0|2,0,0]=4 6079 B8R0.7 COCCOCC(F)F 34a_100000704375_200000210301 [0,2,0,0,0,0|2,0,0]=4 6080 B8R0.7 COCCOCC(F)F 34a_100000743014_100011201679 [0,2,0,0,0,0|2,0,0]=4 6081 B8R0.7 COCCOCC(F)F 34a_100138415774_200012177212 [0,2,0,0,0,0|2,0,0]=4 6082 B8R0.7 COCCOCC(F)F 7a_100000704375_200000210301 [0,2,0,0,0,0|2,0,0]=4 6083 B8R0.7 COCCOCN(C)C 2230a_100102631434_100000231047 [0,2,0,0,0,0|2,0,0]=4 6084 B8R0.7 COCCOCN(C)C 269982a_100102631434_100000231047 [0,2,0,0,0,0|2,0,0]=4 6085 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [0,2,0,0,0,0|1,0,0]=3 6086 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [0,2,0,0,0,0|1,0,0]=3 6087 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,2,0,0,0,0|1,0,0]=3 6088 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,2,0,0,0,0|1,0,0]=3 6089 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,2,0,0,0,0|1,0,0]=3 6090 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,2,0,0,0,0|1,0,0]=3 6091 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,2,0,0,0,0|1,0,0]=3 6092 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,2,0,0,0,0|1,0,0]=3 6093 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,2,0,0,0,0|1,0,0]=3 6094 B8R0.7 COCCSCC(F)F 62a_100000233755_100011934356 [0,2,0,0,0,0|2,0,0]=4 6095 B8R0.7 COCCSCC(F)F 62a_100011934356_100000233755 [0,2,0,0,0,0|2,0,0]=4 6096 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,2,0,0,0,0|1,0,0]=3 6097 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,2,0,0,0,0|1,0,0]=3 6098 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,2,0,0,0,0|1,0,0]=3 6099 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,2,0,0,0,0|1,0,1]=4 6100 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,2,0,0,0,0|1,0,1]=4 6101 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,2,0,0,0,0|1,0,0]=3 6102 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,2,0,0,0,0|1,0,0]=3 6103 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,2,0,0,0,0|1,0,0]=3 6104 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,2,0,0,0,0|1,0,0]=3 6105 B8R0.7 COCSCCN(C)C 62a_100000766300_100000755713 [0,2,0,0,0,0|2,0,0]=4 6106 B8R0.7 COCSCOC(C)C 62a_100000709892_100000766300 [0,2,0,0,0,0|2,0,0]=4 6107 B8R0.7 COCSCOC(C)C 62a_100000766300_100000709892 [0,2,0,0,0,0|2,0,0]=4 6108 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,2,0,0,0,0|1,0,0]=3 6109 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,2,0,0,0,0|1,0,0]=3 6110 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,2,0,0,0,0|0,0,2]=4 6111 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,2,0,0,0,0|0,0,2]=4 6112 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,2,0,0,0,0|0,1,0]=3 6113 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,2,0,0,0,0|0,1,0]=3 6114 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,2,0,0,0,0|1,1,0]=4 6115 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,2,0,0,0,0|1,1,0]=4 6116 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,2,0,0,0,0|1,1,0]=4 6117 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,2,0,0,0,0|1,1,0]=4 6118 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|1,0,1]=4 6119 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,2,0,0,0,0|1,1,0]=4 6120 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,2,0,0,0,0|1,1,0]=4 6121 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,2,0,0,0,0|1,1,0]=4 6122 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,2,0,0,0,0|1,1,0]=4 6123 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,2,0,0,0,0|1,0,0]=3 6124 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,2,0,0,0,0|1,0,0]=3 6125 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,2,0,0,0,0|1,0,0]=3 6126 B8R0.7 CSCCNCC(F)F 2230a_100020590264_100011934356 [0,2,0,0,0,0|2,0,0]=4 6127 B8R0.7 CSCCNCC(F)F 34a_100000765723_100000212216 [0,2,0,0,0,0|2,0,0]=4 6128 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,2,0,0,0,0|1,0,0]=3 6129 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,2,0,0,0,0|1,1,0]=4 6130 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,2,0,0,0,0|1,1,0]=4 6131 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,2,0,0,0,0|1,1,0]=4 6132 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,2,0,0,0,0|1,1,0]=4 6133 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,2,0,0,0,0|1,1,0]=4 6134 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,2,0,0,0,0|1,0,0]=3 6135 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,2,0,0,0,0|1,0,0]=3 6136 B8R0.7 CSCCOCC(F)F 34a_100000230434_100011934356 [0,2,0,0,0,0|2,0,0]=4 6137 B8R0.7 CSCCOCC(F)F 34a_100000743014_100000212216 [0,2,0,0,0,0|2,0,0]=4 6138 B8R0.7 CSCCOCC(F)F 62a_200000210301_200012177212 [0,2,0,0,0,0|2,0,0]=4 6139 B8R0.7 CSCCOCC(F)F 62a_200012177212_200000210301 [0,2,0,0,0,0|2,0,0]=4 6140 B8R0.7 CSCCOCC(F)F 7a_100000230434_100011934356 [0,2,0,0,0,0|2,0,0]=4 6141 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,2,0,0,0,0|1,1,0]=4 6142 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,2,0,0,0,0|1,1,0]=4 6143 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,2,0,0,0,0|1,0,0]=3 6144 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,2,0,0,0,0|1,0,0]=3 6145 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,2,0,0,0,0|1,1,0]=4 6146 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,2,0,0,0,0|1,1,0]=4 6147 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,2,0,0,0,0|1,0,0]=3 6148 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,2,0,0,0,0|1,0,0]=3 6149 B8R0.7 CSCCSCC(F)F 62a_100000212216_100011934356 [0,2,0,0,0,0|2,0,0]=4 6150 B8R0.7 CSCCSCC(F)F 62a_100011934356_100000751147 [0,2,0,0,0,0|2,0,0]=4 6151 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,2,0,0,0,0|1,0,0]=3 6152 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,2,0,0,0,0|1,0,0]=3 6153 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,2,0,0,0,0|1,0,0]=3 6154 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,2,0,0,0,0|1,1,0]=4 6155 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,2,0,0,0,0|1,1,0]=4 6156 B8R0.7 CSCOCCC(F)F 34a_100103093639_100011218213 [0,2,0,0,0,0|2,0,0]=4 6157 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,2,0,0,0,0|1,1,0]=4 6158 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,2,0,0,0,0|1,1,0]=4 6159 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,2,0,0,0,0|1,1,0]=4 6160 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,2,0,0,0,0|1,0,0]=3 6161 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,2,0,0,0,0|1,0,0]=3 6162 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [0,2,0,0,0,0|1,0,0]=3 6163 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,2,0,0,0,0|0,0,0]=2 6164 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|0,0,2]=4 6165 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [0,2,0,0,0,0|1,0,0]=3 6166 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,2,0,0,0,0|0,0,0]=2 6167 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [0,2,0,0,0,0|1,0,0]=3 6168 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,2,0,0,0,0|0,0,0]=2 6169 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,2,0,0,0,0|1,0,0]=3 6170 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,2,0,0,0,0|1,0,0]=3 6171 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,2,0,0,0,0|1,0,0]=3 6172 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,2,0,0,0,0|1,0,0]=3 6173 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,2,0,0,0,0|1,0,0]=3 6174 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,2,0,0,0,0|1,0,0]=3 6175 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [0,2,0,0,0,0|1,0,0]=3 6176 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [0,2,0,0,0,0|1,0,1]=4 6177 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [0,2,0,0,0,0|1,0,1]=4 6178 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,2,0,0,0,0|1,0,0]=3 6179 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,2,0,0,0,0|1,0,0]=3 6180 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,2,0,0,0,0|0,0,0]=2 6181 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,2,0,0,0,0|0,0,0]=2 6182 B8R0.7 FC(F)COCCCBr 34a_100011217188_100011934356 [0,2,0,0,0,0|2,0,0]=4 6183 B8R0.7 FC(F)COCCCCl 34a_100000230001_100011934356 [0,2,0,0,0,0|2,0,0]=4 6184 B8R0.7 FCCCNCC(F)F 2230a_100015189416_100011934356 [0,2,0,0,0,0|2,0,0]=4 6185 B8R0.7 FCCCNCC(F)F 34a_100000765723_100011934791 [0,2,0,0,0,0|2,0,0]=4 6186 B8R0.7 FCCCNCC(F)F 34a_100015189416_100011934356 [0,2,0,0,0,0|2,0,0]=4 6187 B8R0.7 FCCCOCC(F)F 34a_100000743014_100011934791 [0,2,0,0,0,0|2,0,0]=4 6188 B8R0.7 FCCCOCC(F)F 34a_100000759539_100011934356 [0,2,0,0,0,0|2,0,0]=4 6189 B8R0.7 FCCCSCC(F)F 62a_100011934356_100011934791 [0,2,0,0,0,0|2,0,0]=4 6190 B8R0.7 FCCCSCC(F)F 62a_100011934791_100011934356 [0,2,0,0,0,0|2,0,0]=4 6191 B8R0.7 FCCOCCC(F)F 34a_100103093639_100011217306 [0,2,0,0,0,0|2,0,0]=4 6192 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|1,0,1]=4 6193 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|1,0,1]=4 6194 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,2,0,0,0,0|1,0,1]=4 6195 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,2,0,0,0,0|1,0,1]=4 6196 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,2,0,0,0,0|1,0,1]=4 6197 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,2,0,0,0,0|1,0,1]=4 6198 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,2,0,0,0,0|1,0,1]=4 6199 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,2,0,0,0,0|1,0,1]=4 6200 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,2,0,0,0,0|1,0,1]=4 6201 B8R0.7 NCCCOCC(F)F 34a_100000182051_100011934356 [0,2,0,0,0,0|2,0,0]=4 6202 B8R0.7 NOCCOCC(F)F 34a_100000700252_100011934356 [0,2,0,0,0,0|2,0,0]=4 6203 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|1,0,1]=4 6204 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|1,0,1]=4 6205 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,2,0,0,0,0|1,0,1]=4 6206 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,2,0,0,0,0|1,0,1]=4 6207 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,2,0,0,0,0|2,0,0]=4 6208 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [0,2,0,0,0,0|1,0,0]=3 6209 B8R0.7 OCCCOCC(F)F 34a_100000743014_100000230001 [0,2,0,0,0,0|1,0,0]=3 6210 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,2,0,0,0,0|1,0,0]=3 6211 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,2,0,0,0,0|1,0,0]=3 6212 B8R0.7 OCCOCCC(F)F 34a_100103093639_100000211926 [0,2,0,0,0,0|1,0,0]=3 6213 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,2,0,0,0,0|0,0,0]=2 6214 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,2,0,0,0,0|0,0,1]=3 6215 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,2,0,0,0,0|0,0,2]=4 6216 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,2,0,0,0,0|1,0,1]=4 6217 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,2,0,0,0,0|0,0,2]=4 6218 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,2,0,0,0,0|0,0,2]=4 6219 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,2,0,0,0,0|1,0,1]=4 6220 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,2,0,0,0,0|1,0,1]=4 6221 B8R0.7 [13CH3]OCCOCC(F)F 34a_100000704375_200025704644 [0,2,0,0,0,0|2,0,0]=4 6222 B8R0.7 [13CH3]OCCOCC(F)F 7a_100000704375_200025704644 [0,2,0,0,0,0|2,0,0]=4 6223 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,2,0,0,0,0|1,0,0]=3 6224 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,2,0,0,0,0|1,0,0]=3 6225 B8R0.7 [13CH3]SCCOCC(F)F 62a_200012177212_200025704644 [0,2,0,0,0,0|2,0,0]=4 6226 B8R0.7 [13CH3]SCCOCC(F)F 62a_200025704644_200012177212 [0,2,0,0,0,0|2,0,0]=4 6227 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,1]=4 6228 B8R0.3 CC(CCO)N(C)CF 269982a_100000731037_100015361967 [0,2,0,0,0,0|2,0,0]=4 6229 B8R0.3 CC(CO)N(C)CCF 2230a_100000693034_100011217306 [0,2,0,0,0,0|2,0,0]=4 6230 B8R0.3 CC(CO)N(C)CCF 269982a_100000693034_100011217306 [0,2,0,0,0,0|2,0,0]=4 6231 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,2,0,0,0,0|2,0,0]=4 6232 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 6233 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 6234 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|0,0,1]=3 6235 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|1,0,1]=4 6236 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|1,0,1]=4 6237 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|1,0,1]=4 6238 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|0,0,1]=3 6239 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|0,0,1]=3 6240 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,2,0,0,0,0|2,0,0]=4 6241 B8R0.3 CCC(C)N(C)CCF 2230a_100000741768_100011217306 [0,2,0,0,0,0|2,0,0]=4 6242 B8R0.3 CCC(C)N(C)CCF 269982a_100000741768_100011217306 [0,2,0,0,0,0|2,0,0]=4 6243 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,2,0,0,0,0|1,0,0]=3 6244 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,2,0,0,0,0|1,0,0]=3 6245 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,2,0,0,0,0|1,0,0]=3 6246 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,2,0,0,0,0|1,0,0]=3 6247 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|1,0,1]=4 6248 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|0,0,1]=3 6249 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,1]=4 6250 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,1]=4 6251 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|1,0,1]=4 6252 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|0,0,1]=3 6253 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,1]=4 6254 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,1]=4 6255 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|1,0,1]=4 6256 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|0,0,1]=3 6257 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,2,0,0,0,0|2,0,0]=4 6258 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|2,0,0]=4 6259 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|2,0,0]=4 6260 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|2,0,0]=4 6261 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|2,0,0]=4 6262 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,2,0,0,0,0|2,0,0]=4 6263 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,2,0,0,0,0|2,0,0]=4 6264 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 6265 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 6266 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,2,0,0,0,0|2,0,0]=4 6267 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,2,0,0,0,0|2,0,0]=4 6268 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,2,0,0,0,0|2,0,0]=4 6269 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,2,0,0,0,0|2,0,0]=4 6270 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,2,0,0,0,0|2,0,0]=4 6271 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,2,0,0,0,0|2,0,0]=4 6272 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,2,0,0,0,0|1,0,0]=3 6273 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,2,0,0,0,0|1,0,0]=3 6274 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,2,0,0,0,0|1,0,0]=3 6275 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,2,0,0,0,0|1,0,0]=3 6276 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,2,0,0,0,0|1,0,0]=3 6277 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,2,0,0,0,0|1,0,0]=3 6278 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,2,0,0,0,0|2,0,0]=4 6279 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,2,0,0,0,0|2,0,0]=4 6280 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,2,0,0,0,0|1,0,0]=3 6281 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,2,0,0,0,0|1,0,0]=3 6282 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|1,0,1]=4 6283 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|1,0,1]=4 6284 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|1,0,1]=4 6285 B8R0.3 CCN(C)C(C)CCO 2230a_100000225621_100009893172 [0,2,0,0,0,0|1,0,0]=3 6286 B8R0.3 CCN(C)C(C)CCO 2230a_100000731037_100000210202 [0,2,0,0,0,0|1,0,0]=3 6287 B8R0.3 CCN(C)C(C)CCO 2230a_100011935059_200000210301 [0,2,0,0,0,0|1,0,0]=3 6288 B8R0.3 CCN(C)C(C)CCO 269982a_100000225621_100009893172 [0,2,0,0,0,0|1,0,0]=3 6289 B8R0.3 CCN(C)C(C)CCO 269982a_100000731037_100000204670 [0,2,0,0,0,0|1,0,0]=3 6290 B8R0.3 CCN(C)C(C)CCO 269982a_100011935059_200000210301 [0,2,0,0,0,0|1,0,0]=3 6291 B8R0.3 CCN([13CH3])C(C)CCO 2230a_100011935059_200025704644 [0,2,0,0,0,0|1,0,0]=3 6292 B8R0.3 CCN([13CH3])C(C)CCO 269982a_100011935059_200025704644 [0,2,0,0,0,0|1,0,0]=3 6293 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|1,0,1]=4 6294 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,2,0,0,0,0|2,0,0]=4 6295 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,2,0,0,0,0|2,0,0]=4 6296 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|2,0,0]=4 6297 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,0,1]=4 6298 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [0,2,0,0,0,0|2,0,0]=4 6299 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|1,0,1]=4 6300 B8R0.3 COCN(C)C(C)CO 2230a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 6301 B8R0.3 COCN(C)C(C)CO 269982a_100000693034_100000766300 [0,2,0,0,0,0|2,0,0]=4 6302 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|1,0,1]=4 6303 B8R0.3 CSCN(C)C(C)CO 2230a_100000693034_100011218213 [0,2,0,0,0,0|2,0,0]=4 6304 B8R0.3 CSCN(C)C(C)CO 269982a_100000693034_100011218213 [0,2,0,0,0,0|2,0,0]=4 6305 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,2,0,0,0,0|2,0,0]=4 6306 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|1,0,1]=4 6307 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|1,0,1]=4 6308 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|0,0,2]=4 6309 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,2,0,0,0,0|1,0,1]=4 6310 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|1,0,1]=4 6311 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|1,0,1]=4 6312 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|1,0,1]=4 6313 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|1,0,1]=4 6314 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|1,0,1]=4 6315 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|1,0,1]=4 6316 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|1,0,1]=4 6317 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|0,0,1]=3 6318 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 6319 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 6320 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,2,0,0,0,0|2,0,0]=4 6321 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,2,0,0,0,0|1,0,0]=3 6322 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,2,0,0,0,0|2,0,0]=4 6323 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,2,0,0,0,0|1,0,0]=3 6324 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|2,0,0]=4 6325 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,2,0,0,0,0|2,0,0]=4 6326 B8R0.8 CC(C)N(C)CCCF 269982a_200000211004_100011934791 [0,2,0,0,0,0|2,0,0]=4 6327 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [0,2,0,0,0,0|1,0,0]=3 6328 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [0,2,0,0,0,0|1,0,0]=3 6329 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [0,2,0,0,0,0|1,0,0]=3 6330 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [0,2,0,0,0,0|1,0,0]=3 6331 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [0,2,0,0,0,0|1,0,0]=3 6332 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [0,2,0,0,0,0|1,0,0]=3 6333 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [0,2,0,0,0,0|1,0,0]=3 6334 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,2,0,0,0,0|2,0,0]=4 6335 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|1,0,1]=4 6336 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|0,0,1]=3 6337 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,2,0,0,0,0|1,0,1]=4 6338 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,2,0,0,0,0|1,0,1]=4 6339 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|1,0,1]=4 6340 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|1,0,1]=4 6341 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|1,0,1]=4 6342 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,2,0,0,0,0|0,0,1]=3 6343 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|0,0,1]=3 6344 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|0,0,1]=3 6345 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|0,0,2]=4 6346 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|0,0,2]=4 6347 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|0,0,2]=4 6348 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,2,0,0,0,0|2,0,0]=4 6349 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,2,0,0,0,0|2,0,0]=4 6350 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,2,0,0,0,0|2,0,0]=4 6351 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|0,0,2]=4 6352 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|0,0,2]=4 6353 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,2,0,0,0,0|2,0,0]=4 6354 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,2,0,0,0,0|2,0,0]=4 6355 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,2,0,0,0,0|2,0,0]=4 6356 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,2,0,0,0,0|2,0,0]=4 6357 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,2,0,0,0,0|2,0,0]=4 6358 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,2,0,0,0,0|2,0,0]=4 6359 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,2,0,0,0,0|2,0,0]=4 6360 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|1,0,1]=4 6361 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|1,0,1]=4 6362 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|1,0,1]=4 6363 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|1,0,1]=4 6364 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,2,0,0,0,0|2,0,0]=4 6365 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|1,0,1]=4 6366 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,2,0,0,0,0|2,0,0]=4 6367 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|1,0,1]=4 6368 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,1]=4 6369 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,2,0,0,0,0|2,0,0]=4 6370 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|2,0,0]=4 6371 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|2,0,0]=4 6372 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|1,0,1]=4 6373 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,1]=4 6374 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,1]=4 6375 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|2,0,0]=4 6376 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,2,0,0,0,0|1,0,1]=4 6377 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|1,0,1]=4 6378 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|1,0,1]=4 6379 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|1,0,1]=4 6380 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|0,0,1]=3 6381 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|1,0,1]=4 6382 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|1,0,1]=4 6383 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|0,0,1]=3 6384 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|1,0,1]=4 6385 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,2,0,0,0,0|1,0,1]=4 6386 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|1,0,1]=4 6387 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,2,0,0,0,0|0,0,2]=4 6388 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,2,0,0,0,0|1,0,1]=4 6389 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,2,0,0,0,0|1,0,1]=4 6390 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,2,0,0,0,0|1,0,1]=4 6391 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,2,0,0,0,0|1,0,1]=4 6392 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,2,0,0,0,0|1,0,1]=4 6393 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,2,0,0,0,0|1,0,1]=4 6394 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,2,0,0,0,0|1,0,1]=4 6395 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,2,0,0,0,0|1,0,1]=4 6396 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,2,0,0,0,0|1,0,1]=4 6397 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,2,0,0,0,0|1,0,1]=4 6398 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,2,0,0,0,0|1,0,1]=4 6399 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,2,0,0,0,0|1,0,1]=4 6400 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,2,0,0,0,0|1,0,0]=3 6401 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,2,0,0,0,0|1,0,1]=4 6402 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,2,0,0,0,0|0,0,1]=3 6403 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,2,0,0,0,0|2,0,0]=4 6404 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,2,0,0,0,0|2,0,0]=4 6405 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,2,0,0,0,0|2,0,0]=4 6406 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,2,0,0,0,0|2,0,0]=4 6407 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,2,0,0,0,0|2,0,0]=4 6408 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,2,0,0,0,0|2,0,0]=4 6409 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|1,0,1]=4 6410 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|1,0,1]=4 6411 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,2,0,0,0,0|1,0,0]=3 6412 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,2,0,0,0,0|1,0,0]=3 6413 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,2,0,0,0,0|2,0,0]=4 6414 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,2,0,0,0,0|1,0,0]=3 6415 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,2,0,0,0,0|1,0,0]=3 6416 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,2,0,0,0,0|2,0,0]=4 6417 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,2,0,0,0,0|2,0,0]=4 6418 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,2,0,0,0,0|2,0,0]=4 6419 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,2,0,0,0,0|1,0,0]=3 6420 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,2,0,0,0,0|1,0,0]=3 6421 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,2,0,0,0,0|1,0,0]=3 6422 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,2,0,0,0,0|1,0,0]=3 6423 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,2,0,0,0,0|1,0,0]=3 6424 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,2,0,0,0,0|1,0,0]=3 6425 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,2,0,0,0,0|1,0,0]=3 6426 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,2,0,0,0,0|1,0,0]=3 6427 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,2,0,0,0,0|1,0,0]=3 6428 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,2,0,0,0,0|2,0,0]=4 6429 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,2,0,0,0,0|2,0,0]=4 6430 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,2,0,0,0,0|1,0,0]=3 6431 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,2,0,0,0,0|1,0,0]=3 6432 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,2,0,0,0,0|1,0,0]=3 6433 B8R0.9 CC(C)OCC(Cl)CCl 34a_100000033668_100000210206 [0,2,0,0,0,0|2,0,0]=4 6434 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,2,0,0,0,0|1,0,0]=3 6435 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,2,0,0,0,0|1,0,0]=3 6436 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,2,0,0,0,0|2,0,0]=4 6437 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,2,0,0,0,0|1,0,0]=3 6438 B8R0.9 CC(C)OC[C@H](F)CN 34a_100015665980_100000210206 [0,2,0,0,0,0|2,0,0]=4 6439 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,2,0,0,0,0|1,0,0]=3 6440 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,2,0,0,0,0|1,0,0]=3 6441 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,2,0,0,0,0|1,0,0]=3 6442 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,2,0,0,0,0|1,0,0]=3 6443 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,2,0,0,0,0|2,0,0]=4 6444 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,2,0,0,0,0|2,0,0]=4 6445 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,2,0,0,0,0|1,0,0]=3 6446 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,2,0,0,0,0|1,0,0]=3 6447 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,2,0,0,0,0|2,0,0]=4 6448 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,2,0,0,0,0|2,0,0]=4 6449 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,2,0,0,0,0|2,0,0]=4 6450 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|2,0,0]=4 6451 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,2,0,0,0,0|1,0,0]=3 6452 B8R0.9 CC(CO)NCC(F)F 34a_100000765723_100012180447 [0,2,0,0,0,0|2,0,0]=4 6453 B8R0.9 CC(CO)OCC(F)F 34a_100000743014_100012180447 [0,2,0,0,0,0|2,0,0]=4 6454 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,2,0,0,0,0|1,0,0]=3 6455 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,2,0,0,0,0|1,0,0]=3 6456 B8R0.9 CC(CO)SCC(F)F 62a_100012180447_100011934356 [0,2,0,0,0,0|2,0,0]=4 6457 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,2,0,0,0,0|1,0,0]=3 6458 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,2,0,0,0,0|1,0,0]=3 6459 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,2,0,0,0,0|0,0,1]=3 6460 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,2,0,0,0,0|1,0,1]=4 6461 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,2,0,0,0,0|1,0,1]=4 6462 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,2,0,0,0,0|1,0,0]=3 6463 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,2,0,0,0,0|1,0,0]=3 6464 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,2,0,0,0,0|1,0,0]=3 6465 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,2,0,0,0,0|2,0,0]=4 6466 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,2,0,0,0,0|2,0,0]=4 6467 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,2,0,0,0,0|2,0,0]=4 6468 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,2,0,0,0,0|1,0,0]=3 6469 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,2,0,0,0,0|1,0,0]=3 6470 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,2,0,0,0,0|1,0,0]=3 6471 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|1,0,1]=4 6472 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|1,0,1]=4 6473 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|0,0,1]=3 6474 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|1,0,1]=4 6475 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|1,0,1]=4 6476 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|1,0,1]=4 6477 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|0,0,2]=4 6478 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|0,0,2]=4 6479 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,2,0,0,0,0|2,0,0]=4 6480 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,2,0,0,0,0|2,0,0]=4 6481 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,2,0,0,0,0|2,0,0]=4 6482 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,2,0,0,0,0|2,0,0]=4 6483 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,2,0,0,0,0|2,0,0]=4 6484 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,2,0,0,0,0|2,0,0]=4 6485 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|1,0,1]=4 6486 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,2,0,0,0,0|2,0,0]=4 6487 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,2,0,0,0,0|2,0,0]=4 6488 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,2,0,0,0,0|2,0,0]=4 6489 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,2,0,0,0,0|2,0,0]=4 6490 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,2,0,0,0,0|1,0,0]=3 6491 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,2,0,0,0,0|1,0,0]=3 6492 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,2,0,0,0,0|1,0,0]=3 6493 B8R0.9 CCC(C)NCC(F)F 2230a_100000209981_100011934356 [0,2,0,0,0,0|2,0,0]=4 6494 B8R0.9 CCC(C)NCC(F)F 34a_100000765723_100011215416 [0,2,0,0,0,0|2,0,0]=4 6495 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,2,0,0,0,0|1,0,0]=3 6496 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,2,0,0,0,0|2,0,0]=4 6497 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,2,0,0,0,0|2,0,0]=4 6498 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,2,0,0,0,0|2,0,0]=4 6499 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,2,0,0,0,0|2,0,0]=4 6500 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,2,0,0,0,0|1,0,0]=3 6501 B8R0.9 CCC(C)OCC(F)F 34a_100000743014_100011215416 [0,2,0,0,0,0|2,0,0]=4 6502 B8R0.9 CCC(C)OCC(F)F 7a_100000210228_100011934356 [0,2,0,0,0,0|2,0,0]=4 6503 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,2,0,0,0,0|2,0,0]=4 6504 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,2,0,0,0,0|2,0,0]=4 6505 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,2,0,0,0,0|1,0,0]=3 6506 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,2,0,0,0,0|2,0,0]=4 6507 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,2,0,0,0,0|2,0,0]=4 6508 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,2,0,0,0,0|1,0,0]=3 6509 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,2,0,0,0,0|1,0,0]=3 6510 B8R0.9 CCC(C)SCC(F)F 62a_100000758301_100011934356 [0,2,0,0,0,0|2,0,0]=4 6511 B8R0.9 CCC(C)SCC(F)F 62a_100011934356_100000758301 [0,2,0,0,0,0|2,0,0]=4 6512 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,2,0,0,0,0|1,0,0]=3 6513 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,2,0,0,0,0|1,0,0]=3 6514 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,2,0,0,0,0|2,0,0]=4 6515 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,2,0,0,0,0|2,0,0]=4 6516 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,2,0,0,0,0|2,0,0]=4 6517 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,2,0,0,0,0|2,0,0]=4 6518 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,2,0,0,0,0|2,0,0]=4 6519 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,2,0,0,0,0|2,0,0]=4 6520 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,2,0,0,0,0|2,0,0]=4 6521 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,2,0,0,0,0|2,0,0]=4 6522 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,2,0,0,0,0|2,0,0]=4 6523 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,2,0,0,0,0|2,0,0]=4 6524 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,2,0,0,0,0|2,0,0]=4 6525 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,2,0,0,0,0|2,0,0]=4 6526 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,2,0,0,0,0|1,0,0]=3 6527 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,2,0,0,0,0|1,0,0]=3 6528 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,2,0,0,0,0|2,0,0]=4 6529 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,2,0,0,0,0|2,0,0]=4 6530 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,2,0,0,0,0|2,0,0]=4 6531 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,2,0,0,0,0|2,0,0]=4 6532 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,2,0,0,0,0|2,0,0]=4 6533 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,2,0,0,0,0|2,0,0]=4 6534 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,2,0,0,0,0|2,0,0]=4 6535 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,2,0,0,0,0|2,0,0]=4 6536 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,2,0,0,0,0|1,0,1]=4 6537 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,2,0,0,0,0|2,0,0]=4 6538 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,2,0,0,0,0|2,0,0]=4 6539 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,2,0,0,0,0|2,0,0]=4 6540 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,2,0,0,0,0|2,0,0]=4 6541 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,2,0,0,0,0|2,0,0]=4 6542 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,2,0,0,0,0|2,0,0]=4 6543 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,2,0,0,0,0|2,0,0]=4 6544 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,2,0,0,0,0|2,0,0]=4 6545 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,2,0,0,0,0|2,0,0]=4 6546 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,2,0,0,0,0|2,0,0]=4 6547 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,2,0,0,0,0|2,0,0]=4 6548 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,2,0,0,0,0|2,0,0]=4 6549 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,2,0,0,0,0|2,0,0]=4 6550 B8R0.9 C[C@H](CO)NCC(F)F 2230a_100000737577_100011934356 [0,2,0,0,0,0|2,0,0]=4 6551 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,2,0,0,0,0|1,0,0]=3 6552 B8R0.9 C[C@H](CO)SCC(F)F 62a_100011934356_100016084084 [0,2,0,0,0,0|2,0,0]=4 6553 B8R0.9 C[C@H](CO)SCC(F)F 62a_100016084084_100011934356 [0,2,0,0,0,0|2,0,0]=4 6554 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,2,0,0,0,0|1,0,0]=3 6555 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,2,0,0,0,0|1,0,0]=3 6556 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,2,0,0,0,0|2,0,0]=4 6557 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,2,0,0,0,0|2,0,0]=4 6558 B8R0.11 C#CC(CC)OCCF 34a_100000758843_100011217306 [0,2,0,0,0,0|2,0,0]=4 6559 B8R0.11 C#CC(CC)OCCF 7a_100000758843_100011217306 [0,2,0,0,0,0|2,0,0]=4 6560 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,2,0,0,0,0|1,0,0]=3 6561 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,2,0,0,0,0|1,0,0]=3 6562 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,2,0,0,0,0|1,0,1]=4 6563 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,2,0,0,0,0|1,0,1]=4 6564 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,2,0,0,0,0|1,0,1]=4 6565 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,2,0,0,0,0|1,0,1]=4 6566 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,2,0,0,0,0|2,0,0]=4 6567 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,2,0,0,0,0|2,0,0]=4 6568 B8R0.11 C=CC(CC)OCCF 34a_100000766422_100011217306 [0,2,0,0,0,0|2,0,0]=4 6569 B8R0.11 C=CC(CC)OCCF 7a_100000766422_100011217306 [0,2,0,0,0,0|2,0,0]=4 6570 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,2,0,0,0,0|1,0,0]=3 6571 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,2,0,0,0,0|1,0,0]=3 6572 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,2,0,0,0,0|1,0,1]=4 6573 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,2,0,0,0,0|1,0,1]=4 6574 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,2,0,0,0,0|1,0,1]=4 6575 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,2,0,0,0,0|1,0,1]=4 6576 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,2,0,0,0,0|1,0,0]=3 6577 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|1,0,0]=3 6578 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [0,2,0,0,0,0|2,0,0]=4 6579 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [0,2,0,0,0,0|2,0,0]=4 6580 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 6581 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 6582 B8R0.11 C=C[C@@H](CO)NCOC 2230a_100016989147_100000766300 [0,2,0,0,0,0|2,0,0]=4 6583 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 6584 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 6585 B8R0.11 CCC(CC)COCF 7a_100000703878_100015361967 [0,2,0,0,0,0|2,0,0]=4 6586 B8R0.11 CCC(CC)CSCF 62a_100011215472_100015361967 [0,2,0,0,0,0|2,0,0]=4 6587 B8R0.11 CCC(CC)CSCF 62a_100015361967_100011215472 [0,2,0,0,0,0|2,0,0]=4 6588 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [0,2,0,0,0,0|2,0,0]=4 6589 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,2,0,0,0,0|1,0,0]=3 6590 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,2,0,0,0,0|1,0,0]=3 6591 B8R0.11 CCC(CC)OCCF 7a_100000688536_100011217306 [0,2,0,0,0,0|2,0,0]=4 6592 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,2,0,0,0,0|1,0,0]=3 6593 B8R0.11 CCC(CC)SCCF 62a_100000210505_100011217306 [0,2,0,0,0,0|2,0,0]=4 6594 B8R0.11 CCC(CC)SCCF 62a_100011217306_100000210505 [0,2,0,0,0,0|2,0,0]=4 6595 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,2,0,0,0,0|1,0,0]=3 6596 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,2,0,0,0,0|1,0,0]=3 6597 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [0,2,0,0,0,0|2,0,0]=4 6598 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [0,2,0,0,0,0|2,0,0]=4 6599 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,2,0,0,0,0|1,0,0]=3 6600 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,2,0,0,0,0|1,0,0]=3 6601 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,2,0,0,0,0|1,0,0]=3 6602 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,2,0,0,0,0|1,0,0]=3 6603 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,2,0,0,0,0|1,0,0]=3 6604 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,2,0,0,0,0|1,0,0]=3 6605 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,2,0,0,0,0|1,0,0]=3 6606 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,2,0,0,0,0|1,0,0]=3 6607 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|1,0,0]=3 6608 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|1,0,0]=3 6609 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|1,0,0]=3 6610 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|1,0,0]=3 6611 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,2,0,0,0,0|2,0,0]=4 6612 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,2,0,0,0,0|2,0,0]=4 6613 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,2,0,0,0,0|2,0,0]=4 6614 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,2,0,0,0,0|2,0,0]=4 6615 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,2,0,0,0,0|2,0,0]=4 6616 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,2,0,0,0,0|2,0,0]=4 6617 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,2,0,0,0,0|0,0,0]=2 6618 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,2,0,0,0,0|0,0,0]=2 6619 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,2,0,0,0,0|0,0,0]=2 6620 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|0,0,0]=2 6621 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,2,0,0,0,0|2,0,0]=4 6622 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,2,0,0,0,0|2,0,0]=4 6623 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,2,0,0,0,0|1,0,0]=3 6624 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,2,0,0,0,0|1,0,0]=3 6625 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,2,0,0,0,0|2,0,0]=4 6626 B8R0.11 CCCOC(CCl)CCl 7a_100000737055_100000210303 [0,2,0,0,0,0|2,0,0]=4 6627 B8R0.11 CCCOC(CF)CF 34a_100000032261_100000210303 [0,2,0,0,0,0|2,0,0]=4 6628 B8R0.11 CCCOC(CF)CF 7a_100000032261_100000210303 [0,2,0,0,0,0|2,0,0]=4 6629 B8R0.11 CCCOC(CN)CN 34a_100000031598_100000210303 [0,2,0,0,0,0|2,0,0]=4 6630 B8R0.11 CCCO[C@@H](CF)CCl 34a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 6631 B8R0.11 CCCO[C@@H](CF)CCl 7a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 6632 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,2,0,0,0,0|2,0,0]=4 6633 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,2,0,0,0,0|2,0,0]=4 6634 B8R0.11 CCN(CC)CCCF 2230a_100000724800_100011934791 [0,2,0,0,0,0|2,0,0]=4 6635 B8R0.11 CCN(CC)CCCF 269956a_100000042499_100011934791 [0,2,0,0,0,0|2,0,0]=4 6636 B8R0.11 CCN(CC)CCCF 269982a_100000724800_100011934791 [0,2,0,0,0,0|2,0,0]=4 6637 B8R0.11 CCN(CC)CCCO 2230a_100000724800_100000230001 [0,2,0,0,0,0|1,0,0]=3 6638 B8R0.11 CCN(CC)CCCO 269956a_100000042499_100011215043 [0,2,0,0,0,0|1,0,0]=3 6639 B8R0.11 CCN(CC)CCCO 269982a_100000724800_100011215043 [0,2,0,0,0,0|1,0,0]=3 6640 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [0,2,0,0,0,0|2,0,0]=4 6641 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [0,2,0,0,0,0|2,0,0]=4 6642 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [0,2,0,0,0,0|2,0,0]=4 6643 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [0,2,0,0,0,0|2,0,0]=4 6644 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,2,0,0,0,0|2,0,0]=4 6645 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,2,0,0,0,0|2,0,0]=4 6646 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,2,0,0,0,0|2,0,0]=4 6647 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,2,0,0,0,0|2,0,0]=4 6648 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [0,2,0,0,0,0|2,0,0]=4 6649 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [0,2,0,0,0,0|2,0,0]=4 6650 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [0,2,0,0,0,0|2,0,0]=4 6651 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [0,2,0,0,0,0|2,0,0]=4 6652 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,2,0,0,0,0|2,0,0]=4 6653 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,2,0,0,0,0|1,0,0]=3 6654 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [0,2,0,0,0,0|2,0,0]=4 6655 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [0,2,0,0,0,0|2,0,0]=4 6656 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,2,0,0,0,0|1,0,0]=3 6657 B8R0.11 COCNC(CO)CO 2230a_100000759517_100000766300 [0,2,0,0,0,0|2,0,0]=4 6658 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,2,0,0,0,0|1,0,0]=3 6659 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [0,2,0,0,0,0|2,0,0]=4 6660 B8R0.11 NCC(CN)OCCO 34a_100000031598_100000211926 [0,2,0,0,0,0|2,0,0]=4 6661 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,2,0,0,0,0|2,0,0]=4 6662 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,2,0,0,0,0|2,0,0]=4 6663 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,2,0,0,0,0|2,0,0]=4 6664 B8R0.11 OCCOC(CF)CF 34a_100000032261_100000211926 [0,2,0,0,0,0|2,0,0]=4 6665 B8R0.11 OCCOC(CF)CF 7a_100000032261_100000211926 [0,2,0,0,0,0|2,0,0]=4 6666 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,2,0,0,0,0|2,0,0]=4 6667 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,2,0,0,0,0|2,0,0]=4 6668 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,2,0,0,0,0|2,0,0]=4 6669 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,2,0,0,0,0|2,0,0]=4 6670 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,2,0,0,0,0|2,0,0]=4 6671 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,2,0,0,0,0|2,0,0]=4 6672 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,2,0,0,0,0|2,0,0]=4 6673 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|0,0,2]=4 6674 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,1]=4 6675 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,1]=4 6676 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|1,0,1]=4 6677 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|1,0,1]=4 6678 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,1]=4 6679 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|0,0,1]=3 6680 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 6681 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 6682 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|1,0,1]=4 6683 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|0,0,1]=3 6684 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,2,0,0,0,0|2,0,0]=4 6685 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,2,0,0,0,0|2,0,0]=4 6686 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,2,0,0,0,0|2,0,0]=4 6687 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,2,0,0,0,0|2,0,0]=4 6688 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,2,0,0,0,0|2,0,0]=4 6689 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,2,0,0,0,0|2,0,0]=4 6690 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,2,0,0,0,0|2,0,0]=4 6691 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,2,0,0,0,0|2,0,0]=4 6692 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|1,0,1]=4 6693 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|1,0,1]=4 6694 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,2,0,0,0,0|2,0,0]=4 6695 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,2,0,0,0,0|1,0,0]=3 6696 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,2,0,0,0,0|1,0,0]=3 6697 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,2,0,0,0,0|2,0,0]=4 6698 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,2,0,0,0,0|2,0,0]=4 6699 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,2,0,0,0,0|2,0,0]=4 6700 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,2,0,0,0,0|2,0,0]=4 6701 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,2,0,0,0,0|1,0,0]=3 6702 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,2,0,0,0,0|2,0,0]=4 6703 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,2,0,0,0,0|1,0,0]=3 6704 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,2,0,0,0,0|1,0,0]=3 6705 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,2,0,0,0,0|1,0,0]=3 6706 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|1,0,1]=4 6707 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|0,0,1]=3 6708 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,2,0,0,0,0|2,0,0]=4 6709 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,2,0,0,0,0|2,0,0]=4 6710 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,2,0,0,0,0|2,0,0]=4 6711 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,2,0,0,0,0|2,0,0]=4 6712 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,2,0,0,0,0|2,0,0]=4 6713 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,2,0,0,0,0|2,0,0]=4 6714 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,2,0,0,0,0|1,0,0]=3 6715 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,2,0,0,0,0|1,0,0]=3 6716 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,2,0,0,0,0|1,0,0]=3 6717 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,2,0,0,0,0|1,0,0]=3 6718 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,2,0,0,0,0|1,0,0]=3 6719 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [0,2,0,0,0,0|2,0,0]=4 6720 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,2,0,0,0,0|1,0,0]=3 6721 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|0,0,1]=3 6722 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,2,0,0,0,0|2,0,0]=4 6723 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,2,0,0,0,0|2,0,0]=4 6724 B8R0.19 CN(CF)CC(O)CO 269982a_100011216503_100015361967 [0,2,0,0,0,0|2,0,0]=4 6725 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,2,0,0,0,0|2,0,0]=4 6726 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,2,0,0,0,0|2,0,0]=4 6727 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,2,0,0,0,0|2,0,0]=4 6728 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|1,0,1]=4 6729 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,2,0,0,0,0|2,0,0]=4 6730 B8R0.25 CC(C)(CCCBr)O[13CH3] 7a_100009888830_200025704644 [0,2,0,0,0,0|2,0,0]=4 6731 B8R0.25 CC(C)(CCl)OCCO 7a_100000764493_100000211926 [0,2,0,0,0,0|2,0,0]=4 6732 B8R0.25 CC(C)(CO)CSCF 62a_100009813988_100015361967 [0,2,0,0,0,0|2,0,0]=4 6733 B8R0.25 CC(C)(CO)CSCF 62a_100015361967_100009813988 [0,2,0,0,0,0|2,0,0]=4 6734 B8R0.25 CC(C)(CO)NCCF 2230a_100000210608_100011217306 [0,2,0,0,0,0|2,0,0]=4 6735 B8R0.25 CC(C)(CO)NCCO 2230a_100000210608_100000211926 [0,2,0,0,0,0|2,0,0]=4 6736 B8R0.25 CCC(C)(C)COCF 7a_100000765029_100015361967 [0,2,0,0,0,0|2,0,0]=4 6737 B8R0.25 CCC(C)(C)NCCF 2230a_100000211385_100011217306 [0,2,0,0,0,0|2,0,0]=4 6738 B8R0.25 CCC(C)(C)NCCO 2230a_100000211385_100000211926 [0,2,0,0,0,0|1,0,0]=3 6739 B8R0.25 CCC(C)(C)OCCF 7a_100000210230_100011217306 [0,2,0,0,0,0|2,0,0]=4 6740 B8R0.25 CCC(C)(C)OCCO 7a_100000210230_100000211926 [0,2,0,0,0,0|1,0,0]=3 6741 B8R0.25 CCC(C)(C)SCCF 62a_100000032637_100011217306 [0,2,0,0,0,0|2,0,0]=4 6742 B8R0.25 CCC(C)(C)SCCF 62a_100011217306_100000032637 [0,2,0,0,0,0|2,0,0]=4 6743 B8R0.25 CCC(C)(C)SCCO 62a_100000032637_100000211926 [0,2,0,0,0,0|1,0,0]=3 6744 B8R0.25 CCC(C)(C)SCCO 62a_100000211926_100000032637 [0,2,0,0,0,0|1,0,0]=3 6745 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,2,0,0,0,0|2,0,0]=4 6746 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,2,0,0,0,0|2,0,0]=4 6747 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,2,0,0,0,0|2,0,0]=4 6748 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [0,2,0,0,0,0|1,0,0]=3 6749 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,2,0,0,0,0|2,0,0]=4 6750 B8R0.25 CCCOC(C)(C)CCl 7a_100000764493_100000210303 [0,2,0,0,0,0|2,0,0]=4 6751 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,2,0,0,0,0|2,0,0]=4 6752 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,2,0,0,0,0|2,0,0]=4 6753 B8R0.25 CCCSC(F)(F)CO 62a_100000210303_100011217949 [0,2,0,0,0,0|1,0,0]=3 6754 B8R0.25 CCCSC(F)(F)CO 62a_100011217949_100000210303 [0,2,0,0,0,0|1,0,0]=3 6755 B8R0.25 CCNCC(C)(C)CO 2230a_100020635058_100000210202 [0,2,0,0,0,0|1,0,0]=3 6756 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [0,2,0,0,0,0|2,0,0]=4 6757 B8R0.25 CCOCC(C)(C)CCl 7a_100011217199_100000210202 [0,2,0,0,0,0|2,0,0]=4 6758 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [0,2,0,0,0,0|1,0,0]=3 6759 B8R0.25 CCOCC(F)(F)CN 34a_100000703232_100000210202 [0,2,0,0,0,0|2,0,0]=4 6760 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 6761 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [0,2,0,0,0,0|2,0,0]=4 6762 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [0,2,0,0,0,0|2,0,0]=4 6763 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [0,2,0,0,0,0|1,0,0]=3 6764 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [0,2,0,0,0,0|1,0,0]=3 6765 B8R0.25 COC(C)(C)CCCBr 7a_100009888830_200000210301 [0,2,0,0,0,0|2,0,0]=4 6766 B8R0.25 COCNC(C)(C)CO 2230a_100000210608_100000766300 [0,2,0,0,0,0|2,0,0]=4 6767 B8R0.25 COCSC(F)(F)CO 62a_100000766300_100011217949 [0,2,0,0,0,0|2,0,0]=4 6768 B8R0.25 COCSC(F)(F)CO 62a_100011217949_100000766300 [0,2,0,0,0,0|2,0,0]=4 6769 B8R0.25 CSCNC(C)(C)CO 2230a_100000210608_100011218213 [0,2,0,0,0,0|2,0,0]=4 6770 B8R0.25 CSCSC(F)(F)CO 62a_100011217949_100011218213 [0,2,0,0,0,0|2,0,0]=4 6771 B8R0.25 CSCSC(F)(F)CO 62a_100011218213_100011217949 [0,2,0,0,0,0|2,0,0]=4 6772 B8R0.25 OCC(F)(F)SCCF 62a_100011217306_100011217949 [0,2,0,0,0,0|2,0,0]=4 6773 B8R0.25 OCC(F)(F)SCCF 62a_100011217949_100011217306 [0,2,0,0,0,0|2,0,0]=4 6774 B8R0.25 OCCSC(F)(F)CO 62a_100000211926_100011217949 [0,2,0,0,0,0|2,0,0]=4 6775 B8R0.25 OCCSC(F)(F)CO 62a_100011217949_100000211926 [0,2,0,0,0,0|2,0,0]=4 6776 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|0,0,2]=4 6777 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,2,0,0,0,0|1,0,1]=4 6778 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,2,0,0,0,0|1,0,1]=4 6779 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,2,0,0,0,0|1,0,1]=4 6780 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,2,0,0,0,0|1,0,1]=4 6781 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,2,0,0,0,0|1,0,1]=4 6782 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,2,0,0,0,0|1,0,1]=4 6783 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|1,0,1]=4 6784 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|0,0,1]=3 6785 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|0,0,1]=3 6786 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,2,0,0,0,0|2,0,0]=4 6787 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,2,0,0,0,0|2,0,0]=4 6788 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,2,0,0,0,0|2,0,0]=4 6789 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,2,0,0,0,0|2,0,0]=4 6790 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [0,2,0,0,0,0|2,0,0]=4 6791 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [0,2,0,0,0,0|2,0,0]=4 6792 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,2,0,0,0,0|1,0,0]=3 6793 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,2,0,0,0,0|1,0,0]=3 6794 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,2,0,0,0,0|1,0,0]=3 6795 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,2,0,0,0,0|1,0,0]=3 6796 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,2,0,0,0,0|1,0,0]=3 6797 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,2,0,0,0,0|1,0,0]=3 6798 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,2,0,0,0,0|1,0,0]=3 6799 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,2,0,0,0,0|1,0,0]=3 6800 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,2,0,0,0,0|1,0,0]=3 6801 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,2,0,0,0,0|2,0,0]=4 6802 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,2,0,0,0,0|1,0,1]=4 6803 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,2,0,0,0,0|1,0,0]=3 6804 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,2,0,0,0,0|1,0,0]=3 6805 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,2,0,0,0,0|1,0,0]=3 6806 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,2,0,0,0,0|1,0,0]=3 6807 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,2,0,0,0,0|2,0,0]=4 6808 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,2,0,0,0,0|1,0,0]=3 6809 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,2,0,0,0,0|1,0,0]=3 6810 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,2,0,0,0,0|1,0,0]=3 6811 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|0,0,1]=3 6812 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [0,2,0,0,0,0|2,0,0]=4 6813 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [0,2,0,0,0,0|2,0,0]=4 6814 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,2,0,0,0,0|1,0,0]=3 6815 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,2,0,0,0,0|1,0,0]=3 6816 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,2,0,0,0,0|1,0,0]=3 6817 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,2,0,0,0,0|1,0,0]=3 6818 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,2,0,0,0,0|1,0,0]=3 6819 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,2,0,0,0,0|1,0,0]=3 6820 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,2,0,0,0,0|1,0,0]=3 6821 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,2,0,0,0,0|1,0,0]=3 6822 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|1,0,1]=4 6823 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|1,0,1]=4 6824 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|0,0,1]=3 6825 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,2,0,0,0,0|1,0,1]=4 6826 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|0,0,1]=3 6827 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|0,0,2]=4 6828 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|0,0,2]=4 6829 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|0,0,2]=4 6830 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,2,0,0,0,0|2,0,0]=4 6831 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,2,0,0,0,0|2,0,0]=4 6832 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,2,0,0,0,0|2,0,0]=4 6833 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,2,0,0,0,0|2,0,0]=4 6834 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,2,0,0,0,0|2,0,0]=4 6835 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,2,0,0,0,0|2,0,0]=4 6836 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,2,0,0,0,0|2,0,0]=4 6837 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,2,0,0,0,0|2,0,0]=4 6838 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,2,0,0,0,0|2,0,0]=4 6839 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,2,0,0,0,0|2,0,0]=4 6840 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,2,0,0,0,0|2,0,0]=4 6841 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,1]=4 6842 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 6843 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,2,0,0,0,0|2,0,0]=4 6844 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 6845 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,2,0,0,0,0|2,0,0]=4 6846 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,2,0,0,0,0|2,0,0]=4 6847 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,2,0,0,0,0|1,0,0]=3 6848 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,2,0,0,0,0|1,0,0]=3 6849 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,2,0,0,0,0|1,0,0]=3 6850 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,2,0,0,0,0|1,0,0]=3 6851 B8R0.5 CCCN(C)CC(F)F 2230a_100000747261_100011934356 [0,2,0,0,0,0|2,0,0]=4 6852 B8R0.5 CCCN(C)CC(F)F 269982a_100000747261_100011934356 [0,2,0,0,0,0|2,0,0]=4 6853 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,2,0,0,0,0|1,0,0]=3 6854 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,2,0,0,0,0|1,0,0]=3 6855 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,2,0,0,0,0|1,0,1]=4 6856 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,2,0,0,0,0|2,0,0]=4 6857 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,2,0,0,0,0|2,0,0]=4 6858 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,2,0,0,0,0|2,0,0]=4 6859 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,2,0,0,0,0|2,0,0]=4 6860 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,2,0,0,0,0|2,0,0]=4 6861 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,2,0,0,0,0|2,0,0]=4 6862 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,2,0,0,0,0|2,0,0]=4 6863 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,2,0,0,0,0|1,0,1]=4 6864 B8R0.5 CN(CCO)CC(F)F 2230a_100000210263_100011934356 [0,2,0,0,0,0|2,0,0]=4 6865 B8R0.5 CN(CCO)CC(F)F 269982a_100000210263_100011934356 [0,2,0,0,0,0|2,0,0]=4 6866 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|1,0,1]=4 6867 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,2,0,0,0,0|1,0,1]=4 6868 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,2,0,0,0,0|2,0,0]=4 6869 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,2,0,0,0,0|2,0,0]=4 6870 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,2,0,0,0,0|2,0,0]=4 6871 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|1,0,1]=4 6872 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 6873 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 6874 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|1,0,1]=4 6875 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|0,0,1]=3 6876 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,2,0,0,0,0|1,0,0]=3 6877 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,2,0,0,0,0|1,0,0]=3 6878 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,2,0,0,0,0|1,0,1]=4 6879 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,2,0,0,0,0|1,0,1]=4 6880 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|1,0,1]=4 6881 B8R0.21 CC(C)(C)CCOCF 7a_100000765024_100015361967 [0,2,0,0,0,0|2,0,0]=4 6882 B8R0.21 CC(C)(C)CCSCF 62a_100000755188_100015361967 [0,2,0,0,0,0|2,0,0]=4 6883 B8R0.21 CC(C)(C)CCSCF 62a_100015361967_100000755188 [0,2,0,0,0,0|2,0,0]=4 6884 B8R0.21 CC(C)(C)CNCCF 2230a_100000743828_100011217306 [0,2,0,0,0,0|2,0,0]=4 6885 B8R0.21 CC(C)(C)CNCCF 34a_100000724931_100011219605 [0,2,0,0,0,0|2,0,0]=4 6886 B8R0.21 CC(C)(C)CNCCO 2230a_100000743828_100000211926 [0,2,0,0,0,0|1,0,0]=3 6887 B8R0.21 CC(C)(C)CNCCO 270004a_100000210304_100011204126 [0,2,0,0,0,0|1,0,0]=3 6888 B8R0.21 CC(C)(C)CNCCO 34a_100016990907_100011219605 [0,2,0,0,0,0|1,0,0]=3 6889 B8R0.21 CC(C)(C)COCCBr 34a_100000211926_100011219605 [0,2,0,0,0,0|2,0,0]=4 6890 B8R0.21 CC(C)(C)COCCN 34a_100000210304_100011219605 [0,2,0,0,0,0|2,0,0]=4 6891 B8R0.21 CC(C)(C)CSCCF 62a_100011217306_100011219605 [0,2,0,0,0,0|2,0,0]=4 6892 B8R0.21 CC(C)(C)CSCCF 62a_100011219605_100011217306 [0,2,0,0,0,0|2,0,0]=4 6893 B8R0.21 CC(C)(C)CSCCO 62a_100000211926_100011219605 [0,2,0,0,0,0|1,0,0]=3 6894 B8R0.21 CC(C)(C)CSCCO 62a_100011219605_100000211926 [0,2,0,0,0,0|1,0,0]=3 6895 B8R0.21 CC(C)(C)NCCCF 2230a_100000715429_100011934791 [0,2,0,0,0,0|2,0,0]=4 6896 B8R0.21 CC(C)(C)NCCCF 34a_100015189416_100000210625 [0,2,0,0,0,0|2,0,0]=4 6897 B8R0.21 CC(C)(C)NCCCO 2230a_100000715429_100000230001 [0,2,0,0,0,0|1,0,0]=3 6898 B8R0.21 CC(C)(C)OCCCBr 34a_100011217188_100000210625 [0,2,0,0,0,0|2,0,0]=4 6899 B8R0.21 CC(C)(C)OCCCCl 34a_100000230001_100000210625 [0,2,0,0,0,0|2,0,0]=4 6900 B8R0.21 CC(C)(C)OCCCF 34a_100000759539_100000210625 [0,2,0,0,0,0|2,0,0]=4 6901 B8R0.21 CC(C)(C)OCCCF 34a_100015890283_100011934791 [0,2,0,0,0,0|2,0,0]=4 6902 B8R0.21 CC(C)(C)OCCCF 7a_100015890283_100011934791 [0,2,0,0,0,0|2,0,0]=4 6903 B8R0.21 CC(C)(C)OCCCN 34a_100000182051_100000210625 [0,2,0,0,0,0|2,0,0]=4 6904 B8R0.21 CC(C)(C)OCCCO 34a_100015890283_100000230001 [0,2,0,0,0,0|1,0,0]=3 6905 B8R0.21 CC(C)(C)OCCCO 7a_100015890283_100011215043 [0,2,0,0,0,0|1,0,0]=3 6906 B8R0.21 CC(C)(C)SCCCF 62a_100000211941_100011934791 [0,2,0,0,0,0|2,0,0]=4 6907 B8R0.21 CC(C)(C)SCCCF 62a_100011934791_100000211941 [0,2,0,0,0,0|2,0,0]=4 6908 B8R0.21 CC(C)(C)SCCCO 62a_100000211941_100011215043 [0,2,0,0,0,0|1,0,0]=3 6909 B8R0.21 CC(C)(C)SCCCO 62a_100011215043_100000211941 [0,2,0,0,0,0|1,0,0]=3 6910 B8R0.21 CC(C)(F)CNCCF 2230a_100020643315_100011217306 [0,2,0,0,0,0|2,0,0]=4 6911 B8R0.21 CC(C)(F)CNCCF 34a_100000724931_100011997219 [0,2,0,0,0,0|2,0,0]=4 6912 B8R0.21 CC(C)(F)CNCCO 2230a_100020643315_100000211926 [0,2,0,0,0,0|1,0,0]=3 6913 B8R0.21 CC(C)(F)CNCCO 34a_100016990907_100011997219 [0,2,0,0,0,0|1,0,0]=3 6914 B8R0.21 CC(C)(F)COCCBr 34a_100000211926_100011997219 [0,2,0,0,0,0|2,0,0]=4 6915 B8R0.21 CC(C)(F)COCCF 34a_100000716592_100011217306 [0,2,0,0,0,0|2,0,0]=4 6916 B8R0.21 CC(C)(F)COCCN 34a_100000210304_100011997219 [0,2,0,0,0,0|2,0,0]=4 6917 B8R0.21 CC(C)(F)COCCO 34a_100000716592_100000211926 [0,2,0,0,0,0|1,0,0]=3 6918 B8R0.21 CC(C)(F)CSCCF 62a_100011217306_100011997219 [0,2,0,0,0,0|2,0,0]=4 6919 B8R0.21 CC(C)(F)CSCCF 62a_100011997219_100011217306 [0,2,0,0,0,0|2,0,0]=4 6920 B8R0.21 CC(C)(F)CSCCO 62a_100000211926_100011997219 [0,2,0,0,0,0|1,0,0]=3 6921 B8R0.21 CC(C)(F)CSCCO 62a_100011997219_100000211926 [0,2,0,0,0,0|1,0,0]=3 6922 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,2,0,0,0,0|1,0,0]=3 6923 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,2,0,0,0,0|1,0,0]=3 6924 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [0,2,0,0,0,0|2,0,0]=4 6925 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [0,2,0,0,0,0|2,0,0]=4 6926 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [0,2,0,0,0,0|2,0,0]=4 6927 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [0,2,0,0,0,0|2,0,0]=4 6928 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [0,2,0,0,0,0|1,0,0]=3 6929 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [0,2,0,0,0,0|1,0,0]=3 6930 B8R0.21 CC(C)(O)COCCBr 34a_100000211926_100000764493 [0,2,0,0,0,0|2,0,0]=4 6931 B8R0.21 CC(C)(O)COCCN 34a_100000210304_100000764493 [0,2,0,0,0,0|2,0,0]=4 6932 B8R0.21 CC(C)(O)CSCCF 62a_100000764493_100011217306 [0,2,0,0,0,0|2,0,0]=4 6933 B8R0.21 CC(C)(O)CSCCF 62a_100011217306_100000764493 [0,2,0,0,0,0|2,0,0]=4 6934 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [0,2,0,0,0,0|1,0,0]=3 6935 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [0,2,0,0,0,0|1,0,0]=3 6936 B8R0.21 CC(F)(F)COCCF 34a_100000068830_100011217306 [0,2,0,0,0,0|2,0,0]=4 6937 B8R0.21 CC(F)(F)COCCO 34a_100000068830_100000211926 [0,2,0,0,0,0|1,0,0]=3 6938 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [0,2,0,0,0,0|2,0,0]=4 6939 B8R0.21 CCCCNC(F)(F)F 7a_106832991798_200000243211 [0,2,0,0,0,0|2,0,0]=4 6940 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [0,2,0,0,0,0|2,0,0]=4 6941 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [0,2,0,0,0,0|2,0,0]=4 6942 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [0,2,0,0,0,0|2,0,0]=4 6943 B8R0.21 CCCCOC(F)(F)F 34a_100000210227_200103152311 [0,2,0,0,0,0|2,0,0]=4 6944 B8R0.21 CCCCOC(F)(F)F 7a_100000210227_200000243211 [0,2,0,0,0,0|2,0,0]=4 6945 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [0,2,0,0,0,0|2,0,0]=4 6946 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [0,2,0,0,0,0|2,0,0]=4 6947 B8R0.21 CCCCSC(F)(F)F 62a_100000210211_200103152311 [0,2,0,0,0,0|2,0,0]=4 6948 B8R0.21 CCCCSC(F)(F)F 62a_200000243211_100000210210 [0,2,0,0,0,0|2,0,0]=4 6949 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [0,2,0,0,0,0|2,0,0]=4 6950 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [0,2,0,0,0,0|2,0,0]=4 6951 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [0,2,0,0,0,0|2,0,0]=4 6952 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [0,2,0,0,0,0|1,0,0]=3 6953 B8R0.21 CCCNCC(F)(F)F 34a_100000717047_100000210303 [0,2,0,0,0,0|2,0,0]=4 6954 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [0,2,0,0,0,0|2,0,0]=4 6955 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [0,2,0,0,0,0|2,0,0]=4 6956 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [0,2,0,0,0,0|2,0,0]=4 6957 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [0,2,0,0,0,0|1,0,0]=3 6958 B8R0.21 CCCOCC(C)(F)F 34a_100000068830_100000210303 [0,2,0,0,0,0|2,0,0]=4 6959 B8R0.21 CCCOCC(F)(F)Br 34a_100011217949_100000210303 [0,2,0,0,0,0|2,0,0]=4 6960 B8R0.21 CCCOCC(F)(F)Cl 34a_100000734434_100000210303 [0,2,0,0,0,0|2,0,0]=4 6961 B8R0.21 CCCOCC(F)(F)F 34a_100000210435_100000210303 [0,2,0,0,0,0|2,0,0]=4 6962 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [0,2,0,0,0,0|2,0,0]=4 6963 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [0,2,0,0,0,0|2,0,0]=4 6964 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [0,2,0,0,0,0|2,0,0]=4 6965 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [0,2,0,0,0,0|2,0,0]=4 6966 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [0,2,0,0,0,0|1,0,0]=3 6967 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [0,2,0,0,0,0|1,0,0]=3 6968 B8R0.21 CCCSCC(F)(F)F 62a_100000210303_100000763148 [0,2,0,0,0,0|2,0,0]=4 6969 B8R0.21 CCCSCC(F)(F)F 62a_100000763148_100000210303 [0,2,0,0,0,0|2,0,0]=4 6970 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [0,2,0,0,0,0|2,0,0]=4 6971 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [0,2,0,0,0,0|2,0,0]=4 6972 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [0,2,0,0,0,0|2,0,0]=4 6973 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [0,2,0,0,0,0|1,0,0]=3 6974 B8R0.21 CCNCCC(F)(F)F 2230a_100000740434_100000210202 [0,2,0,0,0,0|2,0,0]=4 6975 B8R0.21 CCNCCC(F)(F)F 34a_100000740434_100000210202 [0,2,0,0,0,0|2,0,0]=4 6976 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [0,2,0,0,0,0|2,0,0]=4 6977 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [0,2,0,0,0,0|2,0,0]=4 6978 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [0,2,0,0,0,0|1,0,0]=3 6979 B8R0.21 CCOCCC(F)(F)F 34a_100000752437_100000210202 [0,2,0,0,0,0|2,0,0]=4 6980 B8R0.21 CCOCCC(F)(F)F 34a_100121572206_100011219754 [0,2,0,0,0,0|2,0,0]=4 6981 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [0,2,0,0,0,0|2,0,0]=4 6982 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [0,2,0,0,0,0|2,0,0]=4 6983 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [0,2,0,0,0,0|1,0,0]=3 6984 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [0,2,0,0,0,0|1,0,0]=3 6985 B8R0.21 CCSCCC(F)(F)F 62a_100000210202_100011219754 [0,2,0,0,0,0|2,0,0]=4 6986 B8R0.21 CCSCCC(F)(F)F 62a_100011219754_100000210202 [0,2,0,0,0,0|2,0,0]=4 6987 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,2,0,0,0,0|1,0,0]=3 6988 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,2,0,0,0,0|1,0,0]=3 6989 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,2,0,0,0,0|1,0,0]=3 6990 B8R0.21 CNCCCC(F)(F)F 2230a_100000727188_200000210301 [0,2,0,0,0,0|2,0,0]=4 6991 B8R0.21 CNCCCC(F)(F)F 2230a_106832991635_100011215983 [0,2,0,0,0,0|2,0,0]=4 6992 B8R0.21 CNCCCC(F)(F)F 34a_100000727188_200000210301 [0,2,0,0,0,0|2,0,0]=4 6993 B8R0.21 CNCCCC(F)(F)F 34a_100102657272_100011215983 [0,2,0,0,0,0|2,0,0]=4 6994 B8R0.21 CNCCCC(F)(F)F 7a_106832991635_100011216173 [0,2,0,0,0,0|2,0,0]=4 6995 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,2,0,0,0,0|1,0,0]=3 6996 B8R0.21 COCCCC(F)(F)F 34a_100000749235_200000210301 [0,2,0,0,0,0|2,0,0]=4 6997 B8R0.21 COCCCC(F)(F)F 34a_100138415774_100011215983 [0,2,0,0,0,0|2,0,0]=4 6998 B8R0.21 COCNCC(C)(C)O 2230a_100000751335_100000766300 [0,2,0,0,0,0|2,0,0]=4 6999 B8R0.21 COCSCC(C)(C)O 62a_100000764493_100000766300 [0,2,0,0,0,0|2,0,0]=4 7000 B8R0.21 COCSCC(C)(C)O 62a_100000766300_100000764493 [0,2,0,0,0,0|2,0,0]=4 7001 B8R0.21 CS(=O)(=O)NCCCO 40a_100000182051_100000738038 [0,2,0,0,0,0|2,0,0]=4 7002 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,2,0,0,0,0|1,0,0]=3 7003 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,2,0,0,0,0|1,0,0]=3 7004 B8R0.21 CSCCCC(F)(F)F 62a_100011216173_200000210301 [0,2,0,0,0,0|2,0,0]=4 7005 B8R0.21 CSCCCC(F)(F)F 62a_200000210301_100011216173 [0,2,0,0,0,0|2,0,0]=4 7006 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [0,2,0,0,0,0|2,0,0]=4 7007 B8R0.21 CSCSCC(C)(C)O 62a_100000764493_100011218213 [0,2,0,0,0,0|2,0,0]=4 7008 B8R0.21 CSCSCC(C)(C)O 62a_100011218213_100000764493 [0,2,0,0,0,0|2,0,0]=4 7009 B8R0.21 C[N+](C)(C)CSCCO 62a_100000211926_200000036245 [0,2,0,0,0,0|2,0,0]=4 7010 B8R0.21 C[N+](C)(C)CSCCO 62a_200000036245_100000211926 [0,2,0,0,0,0|2,0,0]=4 7011 B8R0.21 C[Si](C)(C)CNCCO 2230a_100016997473_100000037933 [0,2,0,0,0,0|1,1,0]=4 7012 B8R0.21 C[Si](C)(C)CSCCO 62a_100000037933_100000211926 [0,2,0,0,0,0|1,1,0]=4 7013 B8R0.21 C[Si](C)(C)CSCCO 62a_100000211926_100000037933 [0,2,0,0,0,0|1,1,0]=4 7014 B8R0.21 OCCCSC(F)(F)F 62a_100011215043_200103152311 [0,2,0,0,0,0|2,0,0]=4 7015 B8R0.21 OCCCSC(F)(F)F 62a_200000243211_100011215043 [0,2,0,0,0,0|2,0,0]=4 7016 B8R0.21 OCCNCC(F)(F)F 2230a_100016997473_100000763148 [0,2,0,0,0,0|2,0,0]=4 7017 B8R0.21 OCCNCC(F)(F)F 34a_100000717047_100000211926 [0,2,0,0,0,0|2,0,0]=4 7018 B8R0.21 OCCOCC(F)(F)Br 34a_100011217949_100000211926 [0,2,0,0,0,0|2,0,0]=4 7019 B8R0.21 OCCOCC(F)(F)Cl 34a_100000734434_100000211926 [0,2,0,0,0,0|2,0,0]=4 7020 B8R0.21 OCCOCC(F)(F)F 34a_100000210435_100000211926 [0,2,0,0,0,0|2,0,0]=4 7021 B8R0.21 OCCSCC(F)(F)F 62a_100000211926_100000763148 [0,2,0,0,0,0|2,0,0]=4 7022 B8R0.21 OCCSCC(F)(F)F 62a_100000763148_100000211926 [0,2,0,0,0,0|2,0,0]=4 7023 B8R0.21 [13CH3]NCCCC(F)(F)F 2230a_100000727188_200025704644 [0,2,0,0,0,0|2,0,0]=4 7024 B8R0.21 [13CH3]NCCCC(F)(F)F 34a_100000727188_200025704644 [0,2,0,0,0,0|2,0,0]=4 7025 B8R0.21 [13CH3]OCCCC(F)(F)F 34a_100000749235_200025704644 [0,2,0,0,0,0|2,0,0]=4 7026 B8R0.21 [13CH3]SCCCC(F)(F)F 62a_100011216173_200025704644 [0,2,0,0,0,0|2,0,0]=4 7027 B8R0.21 [13CH3]SCCCC(F)(F)F 62a_200025704644_100011216173 [0,2,0,0,0,0|2,0,0]=4 7028 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,2,0,0,0,0|1,0,1]=4 7029 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,2,0,0,0,0|1,0,1]=4 7030 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,2,0,0,0,0|1,0,1]=4 7031 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,2,0,0,0,0|1,0,1]=4 7032 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,2,0,0,0,0|1,0,1]=4 7033 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,2,0,0,0,0|1,0,1]=4 7034 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,2,0,0,0,0|1,0,1]=4 7035 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,2,0,0,0,0|1,0,1]=4 7036 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,2,0,0,0,0|0,0,2]=4 7037 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,2,0,0,0,0|0,0,2]=4 7038 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,2,0,0,0,0|0,0,1]=3 7039 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,2,0,0,0,0|1,0,1]=4 7040 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,2,0,0,0,0|1,0,1]=4 7041 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,2,0,0,0,0|1,0,1]=4 7042 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,2,0,0,0,0|1,0,1]=4 7043 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,2,0,0,0,0|2,0,0]=4 7044 B8R0.28 CC(Br)COCC(F)F 34a_100012180447_100011934356 [0,2,0,0,0,0|2,0,0]=4 7045 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,2,0,0,0,0|1,0,0]=3 7046 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,2,0,0,0,0|0,0,2]=4 7047 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,2,0,0,0,0|2,0,0]=4 7048 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,2,0,0,0,0|2,0,0]=4 7049 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,2,0,0,0,0|2,0,0]=4 7050 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,2,0,0,0,0|2,0,0]=4 7051 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,2,0,0,0,0|2,0,0]=4 7052 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,2,0,0,0,0|2,0,0]=4 7053 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,2,0,0,0,0|2,0,0]=4 7054 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,2,0,0,0,0|2,0,0]=4 7055 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,2,0,0,0,0|2,0,0]=4 7056 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|1,0,1]=4 7057 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,2,0,0,0,0|2,0,0]=4 7058 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,2,0,0,0,0|2,0,0]=4 7059 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,2,0,0,0,0|2,0,0]=4 7060 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,2,0,0,0,0|1,0,0]=3 7061 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,2,0,0,0,0|1,0,0]=3 7062 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,2,0,0,0,0|1,0,0]=3 7063 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,2,0,0,0,0|1,0,0]=3 7064 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,2,0,0,0,0|1,0,0]=3 7065 B8R0.28 CC(C)CNCC(F)F 2230a_100000210953_100011934356 [0,2,0,0,0,0|2,0,0]=4 7066 B8R0.28 CC(C)CNCC(F)F 270004a_100000765723_100000210432 [0,2,0,0,0,0|2,0,0]=4 7067 B8R0.28 CC(C)CNCC(F)F 34a_100000210953_100011934356 [0,2,0,0,0,0|2,0,0]=4 7068 B8R0.28 CC(C)CNCC(F)F 34a_100000765723_100000210624 [0,2,0,0,0,0|2,0,0]=4 7069 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,2,0,0,0,0|1,0,0]=3 7070 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,2,0,0,0,0|1,0,0]=3 7071 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,2,0,0,0,0|2,0,0]=4 7072 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,2,0,0,0,0|2,0,0]=4 7073 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,2,0,0,0,0|2,0,0]=4 7074 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,2,0,0,0,0|1,0,0]=3 7075 B8R0.28 CC(C)COCC(F)F 34a_100000210257_100011934356 [0,2,0,0,0,0|2,0,0]=4 7076 B8R0.28 CC(C)COCC(F)F 34a_100000743014_100000210624 [0,2,0,0,0,0|2,0,0]=4 7077 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,2,0,0,0,0|2,0,0]=4 7078 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,2,0,0,0,0|2,0,0]=4 7079 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,2,0,0,0,0|1,0,0]=3 7080 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,2,0,0,0,0|2,0,0]=4 7081 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,2,0,0,0,0|1,0,0]=3 7082 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,2,0,0,0,0|1,0,0]=3 7083 B8R0.28 CC(C)CSCC(F)F 62a_100000210624_100011934356 [0,2,0,0,0,0|2,0,0]=4 7084 B8R0.28 CC(C)CSCC(F)F 62a_100011934356_100000210760 [0,2,0,0,0,0|2,0,0]=4 7085 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,2,0,0,0,0|1,0,0]=3 7086 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,2,0,0,0,0|1,0,0]=3 7087 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [0,2,0,0,0,0|2,0,0]=4 7088 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,2,0,0,0,0|2,0,0]=4 7089 B8R0.28 CC(F)COCC(F)F 34a_100015925927_100011934356 [0,2,0,0,0,0|2,0,0]=4 7090 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,2,0,0,0,0|1,0,0]=3 7091 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,2,0,0,0,0|1,0,0]=3 7092 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,2,0,0,0,0|1,0,0]=3 7093 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,2,0,0,0,0|1,0,0]=3 7094 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,2,0,0,0,0|1,0,0]=3 7095 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,2,0,0,0,0|1,0,0]=3 7096 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,2,0,0,0,0|1,0,0]=3 7097 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,2,0,0,0,0|1,0,0]=3 7098 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,2,0,0,0,0|1,0,0]=3 7099 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,2,0,0,0,0|1,0,1]=4 7100 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,2,0,0,0,0|1,0,0]=3 7101 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,2,0,0,0,0|1,0,0]=3 7102 B8R0.28 CC(O)CNCC(F)F 2230a_100000210904_100011934356 [0,2,0,0,0,0|2,0,0]=4 7103 B8R0.28 CC(O)CNCC(F)F 34a_100000210904_100011934356 [0,2,0,0,0,0|2,0,0]=4 7104 B8R0.28 CC(O)CNCC(F)F 34a_100000765723_100011218427 [0,2,0,0,0,0|2,0,0]=4 7105 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,2,0,0,0,0|1,0,0]=3 7106 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|1,0,0]=3 7107 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,2,0,0,0,0|1,0,0]=3 7108 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,2,0,0,0,0|1,0,0]=3 7109 B8R0.28 CC(O)COCC(F)F 34a_100000743014_100011218427 [0,2,0,0,0,0|2,0,0]=4 7110 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,2,0,0,0,0|1,0,0]=3 7111 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,2,0,0,0,0|1,0,0]=3 7112 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,2,0,0,0,0|1,0,0]=3 7113 B8R0.28 CC(O)CSCC(F)F 62a_100011218427_100011934356 [0,2,0,0,0,0|2,0,0]=4 7114 B8R0.28 CC(O)CSCC(F)F 62a_100011934356_100011218427 [0,2,0,0,0,0|2,0,0]=4 7115 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,2,0,0,0,0|1,0,0]=3 7116 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,2,0,0,0,0|1,0,0]=3 7117 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,2,0,0,0,0|1,0,1]=4 7118 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,2,0,0,0,0|1,0,1]=4 7119 B8R0.28 C[C@@H](Cl)COCC(F)F 34a_100016084084_100011934356 [0,2,0,0,0,0|2,0,0]=4 7120 B8R0.28 C[C@@H](N)COCC(F)F 34a_100000737577_100011934356 [0,2,0,0,0,0|2,0,0]=4 7121 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,2,0,0,0,0|1,0,0]=3 7122 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,2,0,0,0,0|1,0,1]=4 7123 B8R0.28 C[C@@H](O)CNCC(F)F 34a_100000765723_100009817552 [0,2,0,0,0,0|2,0,0]=4 7124 B8R0.28 C[C@@H](O)COCC(F)F 34a_100000743014_100009817552 [0,2,0,0,0,0|2,0,0]=4 7125 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,2,0,0,0,0|1,0,0]=3 7126 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100009817552_100011934356 [0,2,0,0,0,0|2,0,0]=4 7127 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100011934356_100009817552 [0,2,0,0,0,0|2,0,0]=4 7128 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,2,0,0,0,0|1,0,0]=3 7129 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,2,0,0,0,0|2,0,0]=4 7130 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,2,0,0,0,0|2,0,0]=4 7131 B8R0.22 C#CC(CCC)OCF 34a_200011217317_100015361967 [0,2,0,0,0,0|2,0,0]=4 7132 B8R0.22 C#CC(CCC)OCF 7a_200011217317_100015361967 [0,2,0,0,0,0|2,0,0]=4 7133 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,2,0,0,0,0|2,0,0]=4 7134 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,2,0,0,0,0|2,0,0]=4 7135 B8R0.22 C=CC(CCC)OCF 34a_100011216692_100015361967 [0,2,0,0,0,0|2,0,0]=4 7136 B8R0.22 C=CC(CCC)OCF 7a_100011216692_100015361967 [0,2,0,0,0,0|2,0,0]=4 7137 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,2,0,0,0,0|1,0,1]=4 7138 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,2,0,0,0,0|1,0,1]=4 7139 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,2,0,0,0,0|1,0,1]=4 7140 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,2,0,0,0,0|1,0,1]=4 7141 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,2,0,0,0,0|2,0,0]=4 7142 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,2,0,0,0,0|2,0,0]=4 7143 B8R0.22 CCCC(C#N)OCF 34a_100000686963_100015361967 [0,2,0,0,0,0|2,0,0]=4 7144 B8R0.22 CCCC(C#N)OCF 7a_100000686963_100015361967 [0,2,0,0,0,0|2,0,0]=4 7145 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,2,0,0,0,0|2,0,0]=4 7146 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,2,0,0,0,0|2,0,0]=4 7147 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,2,0,0,0,0|2,0,0]=4 7148 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,2,0,0,0,0|2,0,0]=4 7149 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,2,0,0,0,0|2,0,0]=4 7150 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,2,0,0,0,0|2,0,0]=4 7151 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,2,0,0,0,0|2,0,0]=4 7152 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,2,0,0,0,0|2,0,0]=4 7153 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,2,0,0,0,0|2,0,0]=4 7154 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,2,0,0,0,0|2,0,0]=4 7155 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,2,0,0,0,0|1,0,0]=3 7156 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,2,0,0,0,0|1,0,0]=3 7157 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,2,0,0,0,0|1,0,0]=3 7158 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,2,0,0,0,0|1,0,0]=3 7159 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,2,0,0,0,0|1,0,0]=3 7160 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,2,0,0,0,0|1,0,0]=3 7161 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,2,0,0,0,0|1,0,0]=3 7162 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,2,0,0,0,0|1,0,0]=3 7163 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,2,0,0,0,0|1,0,0]=3 7164 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,2,0,0,0,0|1,0,0]=3 7165 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,2,0,0,0,0|1,0,0]=3 7166 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,2,0,0,0,0|1,0,0]=3 7167 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,2,0,0,0,0|1,0,0]=3 7168 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,2,0,0,0,0|1,0,0]=3 7169 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,2,0,0,0,0|1,0,0]=3 7170 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,2,0,0,0,0|1,0,0]=3 7171 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,2,0,0,0,0|2,0,0]=4 7172 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 7173 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,2,0,0,0,0|2,0,0]=4 7174 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 7175 B8R0.22 CCCN(CC)CCF 2230a_100000226822_100011217306 [0,2,0,0,0,0|2,0,0]=4 7176 B8R0.22 CCCN(CC)CCF 269982a_100000226822_100011217306 [0,2,0,0,0,0|2,0,0]=4 7177 B8R0.22 CCCN(CC)CCO 2230a_100000210973_100000210303 [0,2,0,0,0,0|1,0,0]=3 7178 B8R0.22 CCCN(CC)CCO 2230a_100000211420_100000210202 [0,2,0,0,0,0|1,0,0]=3 7179 B8R0.22 CCCN(CC)CCO 2230a_100000226822_100000211926 [0,2,0,0,0,0|1,0,0]=3 7180 B8R0.22 CCCN(CC)CCO 269982a_100000210973_100000210303 [0,2,0,0,0,0|1,0,0]=3 7181 B8R0.22 CCCN(CC)CCO 269982a_100000211420_100000204670 [0,2,0,0,0,0|1,0,0]=3 7182 B8R0.22 CCCN(CC)CCO 269982a_100000226822_100000211926 [0,2,0,0,0,0|1,0,0]=3 7183 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,2,0,0,0,0|2,0,0]=4 7184 B8R0.22 CCCN(CF)CCO 269982a_100000211420_100015361967 [0,2,0,0,0,0|1,0,0]=3 7185 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,2,0,0,0,0|0,0,0]=2 7186 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,2,0,0,0,0|0,0,0]=2 7187 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,2,0,0,0,0|0,0,0]=2 7188 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|0,0,0]=2 7189 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,2,0,0,0,0|2,0,0]=4 7190 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,2,0,0,0,0|2,0,0]=4 7191 B8R0.22 CCC[C@@H](CO)NCF 34a_100000732646_100015361967 [0,2,0,0,0,0|2,0,0]=4 7192 B8R0.22 CCN(CCO)CCF 2230a_100000210973_100011217306 [0,2,0,0,0,0|2,0,0]=4 7193 B8R0.22 CCN(CCO)CCF 269982a_100000210973_100011217306 [0,2,0,0,0,0|2,0,0]=4 7194 B8R0.22 CCN(CCO)CCO 2230a_100000210587_100000210202 [0,2,0,0,0,0|2,0,0]=4 7195 B8R0.22 CCN(CCO)CCO 2230a_100000210973_100000211926 [0,2,0,0,0,0|2,0,0]=4 7196 B8R0.22 CCN(CCO)CCO 269982a_100000210587_100000204670 [0,2,0,0,0,0|2,0,0]=4 7197 B8R0.22 CCN(CCO)CCO 269982a_100000210973_100000211926 [0,2,0,0,0,0|2,0,0]=4 7198 B8R0.22 CCN(CCO)COC 2230a_100000210973_100000766300 [0,2,0,0,0,0|2,0,0]=4 7199 B8R0.22 CCN(CCO)COC 269982a_100000210973_100000766300 [0,2,0,0,0,0|2,0,0]=4 7200 B8R0.22 CCN(CCO)CSC 2230a_100000210973_100011218213 [0,2,0,0,0,0|2,0,0]=4 7201 B8R0.22 CCN(CCO)CSC 269982a_100000210973_100011218213 [0,2,0,0,0,0|2,0,0]=4 7202 B8R0.22 OCCN(CF)CCO 269982a_100000210587_100015361967 [0,2,0,0,0,0|2,0,0]=4 7203 B8R0.30 CCCC(C)(C)COC 7a_100011995695_200000210301 [0,2,0,0,0,0|2,0,0]=4 7204 B8R0.30 CCCC(C)(C)CO[13CH3] 7a_100011995695_200025704644 [0,2,0,0,0,0|2,0,0]=4 7205 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,2,0,0,0,0|2,0,0]=4 7206 B8R0.30 CCCC(C)(C)OCF 7a_100000748436_100015361967 [0,2,0,0,0,0|2,0,0]=4 7207 B8R0.30 CCOC(C)(C)CCBr 7a_100000702414_100000210202 [0,2,0,0,0,0|2,0,0]=4 7208 B8R0.30 CNC[N+](C)(C)CCO 7a_106832991635_200010270792 [0,2,0,0,0,0|2,0,0]=4 7209 B8R0.30 CSC[N+](C)(C)CCO 62a_200000210301_200010270792 [0,2,0,0,0,0|2,0,0]=4 7210 B8R0.30 CSC[N+](C)(C)CCO 62a_200010270792_200000210301 [0,2,0,0,0,0|2,0,0]=4 7211 B8R0.30 C[N+](C)(CCO)CS[13CH3] 62a_200010270792_200025704644 [0,2,0,0,0,0|2,0,0]=4 7212 B8R0.30 C[N+](C)(CCO)CS[13CH3] 62a_200025704644_200010270792 [0,2,0,0,0,0|2,0,0]=4 7213 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|1,0,0]=3 7214 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|1,0,0]=3 7215 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,1,0,0|2,0,0]=4 7216 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,1,0,0|2,0,0]=4 7217 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|1,0,0]=3 7218 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|1,0,0]=3 7219 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,1,0,0|2,0,0]=4 7220 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,1,0,0|2,0,0]=4 7221 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|1,0,0]=3 7222 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|1,0,0]=3 7223 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|1,0,0]=3 7224 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|1,0,0]=3 7225 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|1,0,0]=3 7226 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|1,0,0]=3 7227 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|1,0,0]=3 7228 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|1,0,0]=3 7229 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|1,0,0]=3 7230 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [1,0,0,1,0,0|1,0,0]=3 7231 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [1,0,0,1,0,0|1,0,0]=3 7232 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [1,0,0,1,0,0|1,0,0]=3 7233 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [1,0,0,1,0,0|1,1,0]=4 7234 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [1,0,0,1,0,0|1,0,0]=3 7235 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|1,0,0]=3 7236 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|1,0,0]=3 7237 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|1,0,0]=3 7238 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|1,0,0]=3 7239 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|1,0,0]=3 7240 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|1,0,0]=3 7241 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|1,0,0]=3 7242 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|1,0,0]=3 7243 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [1,0,0,1,0,0|1,1,0]=4 7244 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [1,0,0,1,0,0|1,1,0]=4 7245 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|1,0,0]=3 7246 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|1,0,0]=3 7247 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [1,0,0,1,0,0|2,0,0]=4 7248 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [1,0,0,1,0,0|2,0,0]=4 7249 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|1,0,0]=3 7250 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|1,0,0]=3 7251 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|1,0,0]=3 7252 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|1,0,0]=3 7253 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|1,0,0]=3 7254 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|1,0,0]=3 7255 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|1,0,0]=3 7256 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|1,0,0]=3 7257 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [1,0,0,1,0,0|1,1,0]=4 7258 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [1,0,0,1,0,0|1,1,0]=4 7259 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|1,0,0]=3 7260 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|1,0,0]=3 7261 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|1,0,0]=3 7262 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|1,0,0]=3 7263 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|1,0,0]=3 7264 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|1,0,0]=3 7265 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|1,0,0]=3 7266 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|1,0,0]=3 7267 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|1,0,0]=3 7268 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|1,0,0]=3 7269 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|1,0,0]=3 7270 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [1,0,0,1,0,0|2,0,0]=4 7271 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [1,0,0,1,0,0|2,0,0]=4 7272 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [1,0,0,1,0,0|2,0,0]=4 7273 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,0,0]=3 7274 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,0,0]=3 7275 B6R1.6 COC1COC1 34a_100138415774_100009818527 [1,0,0,1,0,0|2,0,0]=4 7276 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [1,0,0,1,0,0|2,0,0]=4 7277 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|1,0,0]=3 7278 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|2,0,0]=4 7279 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [1,0,0,1,0,0|2,0,0]=4 7280 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|1,0,0]=3 7281 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|1,0,0]=3 7282 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [1,0,0,1,0,0|2,0,0]=4 7283 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,0,0]=3 7284 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [1,0,0,1,0,0|2,0,0]=4 7285 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|1,0,0]=3 7286 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|2,0,0]=4 7287 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [1,0,0,1,0,0|2,0,0]=4 7288 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 7289 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 7290 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [1,0,0,1,0,0|2,0,0]=4 7291 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 7292 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 7293 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,1,0,1,0,0|1,0,0]=3 7294 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,1,0,1,0,0|1,0,0]=3 7295 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,1,0,1,0,0|1,0,0]=3 7296 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,1,0,1,0,0|2,0,0]=4 7297 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,1,0,1,0,0|2,0,0]=4 7298 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,1,0,1,0,0|2,0,0]=4 7299 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,1,0,1,0,0|2,0,0]=4 7300 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,1,0,1,0,0|2,0,0]=4 7301 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 7302 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 7303 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,1,0,0|1,0,0]=3 7304 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,1,0,0|1,0,0]=3 7305 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,1,0,0|1,0,0]=3 7306 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,1,0,0|1,0,0]=3 7307 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,1,0,0|1,0,0]=3 7308 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,1,0,1,0,0|1,0,0]=3 7309 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,1,0,1,0,0|1,0,0]=3 7310 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,1,0,1,0,0|1,0,0]=3 7311 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,1,0,1,0,0|1,0,0]=3 7312 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,1,0,1,0,0|1,0,0]=3 7313 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,1,0,0|1,1,0]=4 7314 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,1,0,1,0,0|2,0,0]=4 7315 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 7316 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,1,0,1,0,0|2,0,0]=4 7317 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 7318 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,1,0,1,0,0|2,0,0]=4 7319 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 7320 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,1,0,0|2,0,0]=4 7321 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 7322 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,1,0,0|2,0,0]=4 7323 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,1,0,0|2,0,0]=4 7324 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|0,0,2]=4 7325 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,1,0,0|0,0,2]=4 7326 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,1,0,0|0,0,0]=2 7327 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,1,0,0|0,0,0]=2 7328 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,1,0,0|0,0,0]=2 7329 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,1,0,0|0,0,0]=2 7330 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,1,0,0|1,0,0]=3 7331 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,1,0,0|1,0,0]=3 7332 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,1,0,0|1,0,0]=3 7333 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,1,0,1,0,0|1,0,0]=3 7334 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,1,0,0|1,0,0]=3 7335 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,1,0,0|1,0,0]=3 7336 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,1,0,0|1,0,0]=3 7337 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|1,0,1]=4 7338 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|1,0,1]=4 7339 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|0,1,0]=3 7340 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|0,1,0]=3 7341 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|1,0,0]=3 7342 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|1,1,0]=4 7343 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|1,1,0]=4 7344 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,1,0,1,0,0|2,0,0]=4 7345 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,1,0,1,0,0|2,0,0]=4 7346 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,1,0,1,0,0|2,0,0]=4 7347 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,1,0,1,0,0|2,0,0]=4 7348 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,1,0,1,0,0|2,0,0]=4 7349 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,1,0,0|1,0,0]=3 7350 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,1,0,0|1,0,0]=3 7351 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,1,0,1,0,0|1,0,0]=3 7352 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,1,0,1,0,0|1,0,0]=3 7353 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 7354 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 7355 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 7356 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 7357 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|0,0,2]=4 7358 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,1,0,0|0,0,2]=4 7359 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,1,0,0|0,0,0]=2 7360 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,1,0,0|0,0,0]=2 7361 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,1,0,0|0,0,0]=2 7362 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,1,0,0|1,0,0]=3 7363 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,1,0,0|1,0,0]=3 7364 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,1,0,1,0,0|1,0,0]=3 7365 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,1,0,0|1,0,0]=3 7366 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,1,0,0|1,0,0]=3 7367 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|1,0,1]=4 7368 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|1,0,1]=4 7369 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|0,1,0]=3 7370 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|0,1,0]=3 7371 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|1,0,0]=3 7372 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|1,1,0]=4 7373 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|1,1,0]=4 7374 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,1,0,1,0,0|1,0,0]=3 7375 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,1,0,1,0,0|1,0,0]=3 7376 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,1,0,1,0,0|1,0,0]=3 7377 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,1,0,1,0,0|1,0,0]=3 7378 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,1,0,1,0,0|1,0,0]=3 7379 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,1,0,1,0,0|1,0,0]=3 7380 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 7381 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 7382 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 7383 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 7384 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 7385 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 7386 B8R1.8 C#CCN1CCCC1 2230a_100000188435_100000038162 [0,1,0,1,0,0|1,0,1]=4 7387 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,1,0,1,0,0|1,0,1]=4 7388 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,1,0,1,0,0|1,0,1]=4 7389 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,1,0,1,0,0|1,0,0]=3 7390 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,1,0,1,0,0|1,0,0]=3 7391 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,1,0,1,0,0|1,1,0]=4 7392 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,1,0,1,0,0|1,1,0]=4 7393 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,1,0,1,0,0|1,0,0]=3 7394 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,1,0,1,0,0|1,0,0]=3 7395 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,1,0,1,0,0|1,0,0]=3 7396 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,1,0,1,0,0|1,0,0]=3 7397 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [0,1,0,1,0,0|1,0,0]=3 7398 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [0,1,0,1,0,0|1,0,0]=3 7399 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,1,0,1,0,0|1,1,0]=4 7400 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [0,1,0,1,0,0|1,0,0]=3 7401 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [0,1,0,1,0,0|1,0,0]=3 7402 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [0,1,0,1,0,0|1,0,0]=3 7403 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,1,0,1,0,0|1,0,0]=3 7404 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,1,0,1,0,0|1,0,0]=3 7405 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,1,0,1,0,0|1,0,0]=3 7406 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,1,0,1,0,0|0,0,0]=2 7407 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,1,0,1,0,0|1,0,0]=3 7408 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,1,0,1,0,0|1,1,0]=4 7409 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,1,0,1,0,0|1,0,0]=3 7410 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|1,0,0]=3 7411 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|1,0,0]=3 7412 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,1,0,1,0,0|1,0,0]=3 7413 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,1,0,1,0,0|1,0,0]=3 7414 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,1,0,1,0,0|1,0,0]=3 7415 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,1,0,1,0,0|1,0,0]=3 7416 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,1,0,1,0,0|1,0,0]=3 7417 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,1,0,1,0,0|1,0,0]=3 7418 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,1,0,1,0,0|1,0,0]=3 7419 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,1,0,1,0,0|0,0,0]=2 7420 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,1,0,1,0,0|0,0,0]=2 7421 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [0,1,0,1,0,0|1,0,0]=3 7422 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [0,1,0,1,0,0|1,0,0]=3 7423 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [0,1,0,1,0,0|1,0,0]=3 7424 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [0,1,0,1,0,0|1,0,0]=3 7425 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [0,1,0,1,0,0|1,0,0]=3 7426 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,1,0,1,0,0|1,0,0]=3 7427 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,1,0,1,0,0|1,0,0]=3 7428 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,1,0,1,0,0|1,0,0]=3 7429 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,1,0,1,0,0|1,0,0]=3 7430 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,1,0,1,0,0|1,0,0]=3 7431 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,1,0,1,0,0|0,0,0]=2 7432 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,1,0,1,0,0|0,0,0]=2 7433 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,1,0,1,0,0|0,0,2]=4 7434 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,1,0,1,0,0|0,0,0]=2 7435 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,1,0,1,0,0|0,0,0]=2 7436 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,1,0,1,0,0|0,0,0]=2 7437 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,1,0,1,0,0|0,0,0]=2 7438 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,1,0,1,0,0|0,0,0]=2 7439 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [0,1,0,1,0,0|1,0,0]=3 7440 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [0,1,0,1,0,0|1,0,0]=3 7441 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [0,1,0,1,0,0|1,0,0]=3 7442 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [0,1,0,1,0,0|1,0,0]=3 7443 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,1,0,1,0,0|1,0,0]=3 7444 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,1,0,1,0,0|1,0,0]=3 7445 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [0,1,0,1,0,0|1,0,0]=3 7446 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [0,1,0,1,0,0|1,0,0]=3 7447 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [0,1,0,1,0,0|2,0,0]=4 7448 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [0,1,0,1,0,0|2,0,0]=4 7449 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 7450 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|0,1,0]=3 7451 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|0,1,0]=3 7452 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|0,0,0]=2 7453 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|0,0,0]=2 7454 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,1,0,1,0,0|1,0,0]=3 7455 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,1,0,1,0,0|1,0,0]=3 7456 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,1,0,1,0,0|1,0,0]=3 7457 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,1,0,1,0,0|1,0,0]=3 7458 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,1,0,1,0,0|1,1,0]=4 7459 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,1,0,1,0,0|1,1,0]=4 7460 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [0,1,0,1,0,0|1,0,0]=3 7461 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [0,1,0,1,0,0|1,0,0]=3 7462 B8R1.8 FCCN1CCSC1 2230a_100011215254_100011217306 [0,1,0,1,0,0|2,0,0]=4 7463 B8R1.8 FCCN1CCSC1 269982a_100011215254_100011217306 [0,1,0,1,0,0|2,0,0]=4 7464 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,1,0,1,0,0|1,0,0]=3 7465 B8R1.8 FCN[C@H]1CCOC1 34a_100015188467_100015361967 [0,1,0,1,0,0|2,0,0]=4 7466 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,1,0,1,0,0|1,0,0]=3 7467 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,1,0,1,0,0|1,0,0]=3 7468 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,1,0,1,0,0|1,0,0]=3 7469 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,1,0,1,0,0|2,0,0]=4 7470 B8R1.8 FCO[C@H]1CCOC1 34a_100000717292_100015361967 [0,1,0,1,0,0|2,0,0]=4 7471 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|1,0,0]=3 7472 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|1,0,0]=3 7473 B8R1.8 FCSC1CCOC1 62a_100015361967_100000690089 [0,1,0,1,0,0|2,0,0]=4 7474 B8R1.8 N#CCN1CCCC1 2230a_100000188435_100011215382 [0,1,0,1,0,0|1,0,1]=4 7475 B8R1.8 N#CCN1CCCC1 269982a_100000188435_100011214920 [0,1,0,1,0,0|1,0,1]=4 7476 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|0,0,2]=4 7477 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|0,0,2]=4 7478 B8R1.8 OCCN1CC=CC1 269982a_100015195280_100000211926 [0,1,0,1,0,0|0,0,2]=4 7479 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,1,0,1,0,0|0,0,0]=2 7480 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,1,0,1,0,0|0,0,0]=2 7481 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,1,0,1,0,0|1,0,0]=3 7482 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,1,0,1,0,0|1,0,0]=3 7483 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,1,0,1,0,0|1,0,0]=3 7484 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,1,0,1,0,0|1,0,0]=3 7485 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [0,1,0,1,0,0|1,0,0]=3 7486 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [0,1,0,1,0,0|1,0,0]=3 7487 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,1,0,1,0,0|1,0,0]=3 7488 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,1,0,1,0,0|1,0,0]=3 7489 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,1,0,1,0,0|0,0,0]=2 7490 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,1,0,1,0,0|0,0,0]=2 7491 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,1,0,1,0,0|0,0,2]=4 7492 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,1,0,1,0,0|0,0,0]=2 7493 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,1,0,1,0,0|0,0,0]=2 7494 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,1,0,1,0,0|0,0,0]=2 7495 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,1,0,1,0,0|0,0,0]=2 7496 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [0,1,0,1,0,0|1,0,0]=3 7497 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [0,1,0,1,0,0|1,0,0]=3 7498 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [0,1,0,1,0,0|1,0,0]=3 7499 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,1,0,1,0,0|1,0,0]=3 7500 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 7501 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|0,1,0]=3 7502 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|0,1,0]=3 7503 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|0,0,0]=2 7504 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|0,0,0]=2 7505 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,1,0,1,0,0|1,0,0]=3 7506 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,1,0,1,0,0|1,0,0]=3 7507 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,1,0,1,0,0|1,0,0]=3 7508 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,1,0,1,0,0|1,0,0]=3 7509 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [0,1,0,1,0,0|1,0,0]=3 7510 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [0,1,0,1,0,0|1,0,0]=3 7511 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,1,0,1,0,0|1,0,0]=3 7512 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,1,0,1,0,0|1,0,0]=3 7513 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,1,0,1,0,0|1,0,0]=3 7514 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,1,0,1,0,0|1,0,0]=3 7515 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,1,0,1,0,0|1,0,0]=3 7516 B8R1.9 COCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000766300 [0,1,0,1,0,0|2,0,0]=4 7517 B8R1.9 COCN[C@@H]1C[C@H]1F 2230a_100025746932_100000766300 [0,1,0,1,0,0|2,0,0]=4 7518 B8R1.9 CSCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218213 [0,1,0,1,0,0|2,0,0]=4 7519 B8R1.9 CSCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218213 [0,1,0,1,0,0|2,0,0]=4 7520 B8R1.9 CSCN[C@@H]1C[C@H]1F 34a_100025746932_100011218213 [0,1,0,1,0,0|2,0,0]=4 7521 B8R1.9 FCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011217306 [0,1,0,1,0,0|2,0,0]=4 7522 B8R1.9 FCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011217306 [0,1,0,1,0,0|2,0,0]=4 7523 B8R1.9 FCCN[C@@H]1C[C@H]1F 34a_100025746932_100011217306 [0,1,0,1,0,0|2,0,0]=4 7524 B8R1.9 OCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211926 [0,1,0,1,0,0|1,0,0]=3 7525 B8R1.9 OCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000211926 [0,1,0,1,0,0|1,0,0]=3 7526 B8R1.9 OCCN[C@@H]1C[C@H]1F 34a_100025746932_100000211926 [0,1,0,1,0,0|1,0,0]=3 7527 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [0,1,0,1,0,0|1,0,0]=3 7528 B8R1.10 BrCCOC1COC1 34a_100000211926_100009818527 [0,1,0,1,0,0|2,0,0]=4 7529 B8R1.10 C#CCCN1CCC1 269982a_100000754969_100000730999 [0,1,0,1,0,0|1,0,1]=4 7530 B8R1.10 C#CCNC1CCC1 2230a_100000749019_100000038162 [0,1,0,1,0,0|1,0,1]=4 7531 B8R1.10 C#CCNC1CCC1 34a_100000212058_100000749161 [0,1,0,1,0,0|1,0,1]=4 7532 B8R1.10 C#CCNC1CCC1 34a_100000749019_100000184674 [0,1,0,1,0,0|1,0,1]=4 7533 B8R1.10 C#CCOC1CCC1 34a_100000210247_100000749161 [0,1,0,1,0,0|1,0,1]=4 7534 B8R1.10 C#CCOC1CCC1 34a_100000748187_100000184674 [0,1,0,1,0,0|1,0,1]=4 7535 B8R1.10 C#CCSC1CCC1 62a_100000038162_100000749161 [0,1,0,1,0,0|1,0,1]=4 7536 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [0,1,0,1,0,0|1,0,1]=4 7537 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [0,1,0,1,0,0|1,0,1]=4 7538 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [0,1,0,1,0,0|1,0,1]=4 7539 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [0,1,0,1,0,0|1,0,1]=4 7540 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [0,1,0,1,0,0|1,0,1]=4 7541 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [0,1,0,1,0,0|1,0,1]=4 7542 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,1,0,1,0,0|1,0,1]=4 7543 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,1,0,1,0,0|1,0,0]=3 7544 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,1,0,1,0,0|1,0,0]=3 7545 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,1,0,1,0,0|1,0,0]=3 7546 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,1,0,1,0,0|1,0,0]=3 7547 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [0,1,0,1,0,0|1,0,0]=3 7548 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,1,0,1,0,0|1,0,0]=3 7549 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,1,0,1,0,0|1,0,0]=3 7550 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [0,1,0,1,0,0|1,0,0]=3 7551 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [0,1,0,1,0,0|1,1,0]=4 7552 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,1,0,1,0,0|1,0,0]=3 7553 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,1,0,1,0,0|1,0,0]=3 7554 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,1,0,1,0,0|1,0,0]=3 7555 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,1,0,1,0,0|1,0,0]=3 7556 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,1,0,1,0,0|1,0,0]=3 7557 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,1,0,1,0,0|1,0,0]=3 7558 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,1,0,1,0,0|0,0,0]=2 7559 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [0,1,0,1,0,0|1,0,0]=3 7560 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [0,1,0,1,0,0|1,0,0]=3 7561 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [0,1,0,1,0,0|1,0,0]=3 7562 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,1,0,1,0,0|0,0,0]=2 7563 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,1,0,1,0,0|0,0,0]=2 7564 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,1,0,1,0,0|1,0,0]=3 7565 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,1,0,1,0,0|1,0,0]=3 7566 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,1,0,1,0,0|0,0,0]=2 7567 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,1,0,1,0,0|0,0,0]=2 7568 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [0,1,0,1,0,0|2,0,0]=4 7569 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [0,1,0,1,0,0|1,0,0]=3 7570 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [0,1,0,1,0,0|1,0,0]=3 7571 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [0,1,0,1,0,0|2,0,0]=4 7572 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,1,0,1,0,0|1,0,0]=3 7573 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,1,0,1,0,0|1,0,0]=3 7574 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,1,0,1,0,0|0,0,0]=2 7575 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,1,0,1,0,0|0,0,0]=2 7576 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [0,1,0,1,0,0|1,0,0]=3 7577 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [0,1,0,1,0,0|1,0,0]=3 7578 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [0,1,0,1,0,0|1,0,0]=3 7579 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [0,1,0,1,0,0|1,0,0]=3 7580 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [0,1,0,1,0,0|1,0,0]=3 7581 B8R1.10 COCNC1COC1 2230a_100016991112_100000766300 [0,1,0,1,0,0|2,0,0]=4 7582 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [0,1,0,1,0,0|1,0,0]=3 7583 B8R1.10 COCSC1COC1 62a_100000766300_100009818527 [0,1,0,1,0,0|2,0,0]=4 7584 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,1,0,1,0,0|1,1,0]=4 7585 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [0,1,0,1,0,0|1,1,0]=4 7586 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [0,1,0,1,0,0|1,1,0]=4 7587 B8R1.10 CSCNC1COC1 2230a_100016991112_100011218213 [0,1,0,1,0,0|2,0,0]=4 7588 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [0,1,0,1,0,0|1,1,0]=4 7589 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [0,1,0,1,0,0|1,1,0]=4 7590 B8R1.10 CSCSC1COC1 62a_100011218213_100009818527 [0,1,0,1,0,0|2,0,0]=4 7591 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [0,1,0,1,0,0|1,0,0]=3 7592 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [0,1,0,1,0,0|1,0,0]=3 7593 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [0,1,0,1,0,0|1,0,0]=3 7594 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [0,1,0,1,0,0|1,0,0]=3 7595 B8R1.10 FCCNC1COC1 2230a_100016991112_100011217306 [0,1,0,1,0,0|2,0,0]=4 7596 B8R1.10 FCCNC1COC1 34a_100000724931_100009818527 [0,1,0,1,0,0|2,0,0]=4 7597 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [0,1,0,1,0,0|1,0,0]=3 7598 B8R1.10 FCCOC1CSC1 7a_100000072292_100011217306 [0,1,0,1,0,0|2,0,0]=4 7599 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [0,1,0,1,0,0|1,0,0]=3 7600 B8R1.10 FCCSC1COC1 62a_100011217306_100009818527 [0,1,0,1,0,0|2,0,0]=4 7601 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [0,1,0,1,0,0|1,0,0]=3 7602 B8R1.10 FCNCC1COC1 34a_100015281925_100015361967 [0,1,0,1,0,0|2,0,0]=4 7603 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [0,1,0,1,0,0|1,0,0]=3 7604 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [0,1,0,1,0,0|1,0,0]=3 7605 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [0,1,0,1,0,0|1,0,0]=3 7606 B8R1.10 FCOCC1CNC1 34a_100016987283_100015361967 [0,1,0,1,0,0|2,0,0]=4 7607 B8R1.10 FCOCC1COC1 34a_100000060846_100015361967 [0,1,0,1,0,0|2,0,0]=4 7608 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [0,1,0,1,0,0|1,0,0]=3 7609 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [0,1,0,1,0,0|1,0,0]=3 7610 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [0,1,0,1,0,0|1,0,0]=3 7611 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [0,1,0,1,0,0|1,0,0]=3 7612 B8R1.10 FCSCC1COC1 62a_100010264016_100015361967 [0,1,0,1,0,0|2,0,0]=4 7613 B8R1.10 FCSCC1COC1 62a_100015361967_100010264016 [0,1,0,1,0,0|2,0,0]=4 7614 B8R1.10 N#CCCN1CCC1 269982a_100000754969_100011215226 [0,1,0,1,0,0|1,0,1]=4 7615 B8R1.10 N#CCNC1CCC1 2230a_100000749019_100011215382 [0,1,0,1,0,0|1,0,1]=4 7616 B8R1.10 N#CCSC1CCC1 62a_100011215382_100000749161 [0,1,0,1,0,0|1,0,1]=4 7617 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [0,1,0,1,0,0|1,0,0]=3 7618 B8R1.10 NCCOC1COC1 34a_100000210304_100009818527 [0,1,0,1,0,0|2,0,0]=4 7619 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,1,0,1,0,0|0,0,2]=4 7620 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,1,0,1,0,0|0,0,2]=4 7621 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,1,0,1,0,0|0,0,2]=4 7622 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,1,0,1,0,0|0,0,2]=4 7623 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,1,0,1,0,0|0,0,0]=2 7624 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [0,1,0,1,0,0|0,0,0]=2 7625 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [0,1,0,1,0,0|0,0,0]=2 7626 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [0,1,0,1,0,0|0,0,0]=2 7627 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [0,1,0,1,0,0|0,0,0]=2 7628 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [0,1,0,1,0,0|1,0,0]=3 7629 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [0,1,0,1,0,0|1,0,0]=3 7630 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,1,0,1,0,0|0,0,0]=2 7631 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [0,1,0,1,0,0|1,0,0]=3 7632 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,1,0,1,0,0|0,0,0]=2 7633 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [0,1,0,1,0,0|1,0,0]=3 7634 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [0,1,0,1,0,0|1,0,0]=3 7635 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|0,0,0]=2 7636 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|0,0,0]=2 7637 B8R1.11 CC1SCCN1CF 269982a_200011216479_100015361967 [0,1,0,1,0,0|2,0,0]=4 7638 B8R1.11 CC1SCCN1CF 34a_200011216479_100015361967 [0,1,0,1,0,0|2,0,0]=4 7639 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,1,0,0|1,0,0]=3 7640 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,1,0,0|1,0,0]=3 7641 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,1,0,0|1,0,0]=3 7642 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,1,0,0|1,0,0]=3 7643 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,1,0,0|1,0,0]=3 7644 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,1,0,0|1,0,0]=3 7645 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,1,0,1,0,0|1,0,0]=3 7646 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,1,0,1,0,0|1,0,0]=3 7647 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,1,0,1,0,0|1,0,0]=3 7648 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,1,0,1,0,0|1,0,0]=3 7649 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,1,0,1,0,0|1,0,0]=3 7650 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,1,0,1,0,0|2,0,0]=4 7651 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,1,0,1,0,0|2,0,0]=4 7652 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,1,0,1,0,0|2,0,0]=4 7653 B8R1.11 CN1CCCC1C#N 2230a_100000701862_200000210301 [0,1,0,1,0,0|1,0,1]=4 7654 B8R1.11 CN1CCC[C@@H]1C#N 2230a_106645074975_200000210301 [0,1,0,1,0,0|1,0,1]=4 7655 B8R1.11 CN1CCC[C@@H]1C#N 269982a_106645074975_200000210301 [0,1,0,1,0,0|1,0,1]=4 7656 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,1,0,0|0,0,0]=2 7657 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,1,0,0|0,0,0]=2 7658 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,1,0,0|0,0,0]=2 7659 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 7660 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|0,0,2]=4 7661 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 7662 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,1,0,0|1,0,0]=3 7663 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|2,0,0]=4 7664 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,1,0,1,0,0|1,0,0]=3 7665 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,1,0,1,0,0|1,0,0]=3 7666 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,1,0,1,0,0|1,0,0]=3 7667 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,0,2]=4 7668 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,0,2]=4 7669 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|0,0,0]=2 7670 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|0,0,0]=2 7671 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [0,1,0,1,0,0|1,0,0]=3 7672 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|1,0,0]=3 7673 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,1,0,0|1,0,0]=3 7674 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 7675 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,1,0,1,0,0|2,0,0]=4 7676 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,2]=4 7677 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,2]=4 7678 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|1,0,0]=3 7679 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|1,0,0]=3 7680 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|0,0,0]=2 7681 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|0,0,0]=2 7682 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,1,0,1,0,0|1,0,0]=3 7683 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,1,0,1,0,0|1,0,0]=3 7684 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 7685 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,1,0,1,0,0|1,0,0]=3 7686 B8R1.11 [13CH3]N1CCCC1C#N 2230a_100000701862_200025704644 [0,1,0,1,0,0|1,0,1]=4 7687 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 2230a_106645074975_200025704644 [0,1,0,1,0,0|1,0,1]=4 7688 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 269982a_106645074975_200025704644 [0,1,0,1,0,0|1,0,1]=4 7689 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,1,0,0|0,0,0]=2 7690 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,1,0,0|0,0,0]=2 7691 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,1,0,0|0,0,0]=2 7692 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,1,0,1,0,0|1,0,0]=3 7693 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,0,2]=4 7694 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|1,0,0]=3 7695 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,1,0,0|1,0,0]=3 7696 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,1,0,1,0,0|2,0,0]=4 7697 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,2]=4 7698 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,2]=4 7699 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|1,0,0]=3 7700 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|1,0,0]=3 7701 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|0,0,0]=2 7702 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|0,0,0]=2 7703 B8R1.13 C#CCN1CCC1C 34a_100000755817_100000184674 [0,1,0,1,0,0|1,0,1]=4 7704 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,1,0,1,0,0|1,0,1]=4 7705 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,1,0,1,0,0|1,0,1]=4 7706 B8R1.13 CC1CCN1CC#N 269982a_100000755817_100011214920 [0,1,0,1,0,0|1,0,1]=4 7707 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,1,0,1,0,0|0,0,2]=4 7708 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,1,0,1,0,0|0,0,2]=4 7709 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [0,1,0,1,0,0|1,0,0]=3 7710 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [0,1,0,1,0,0|1,0,0]=3 7711 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,1,0,1,0,0|0,0,0]=2 7712 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,1,0,1,0,0|0,0,0]=2 7713 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,1,0,1,0,0|1,0,0]=3 7714 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,1,0,1,0,0|1,0,0]=3 7715 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,0,2]=4 7716 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,0,2]=4 7717 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,0,2]=4 7718 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [0,1,0,1,0,0|1,0,0]=3 7719 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [0,1,0,1,0,0|1,0,0]=3 7720 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [0,1,0,1,0,0|1,0,0]=3 7721 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [0,1,0,1,0,0|1,0,0]=3 7722 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [0,1,0,1,0,0|1,0,0]=3 7723 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [0,1,0,1,0,0|1,0,0]=3 7724 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [0,1,0,1,0,0|1,0,0]=3 7725 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [0,1,0,1,0,0|1,1,0]=4 7726 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [0,1,0,1,0,0|1,1,0]=4 7727 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,1,0,1,0,0|1,0,0]=3 7728 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,1,0,1,0,0|1,0,0]=3 7729 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,1,0,1,0,0|1,0,0]=3 7730 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,1,0,1,0,0|1,0,0]=3 7731 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,1,0,1,0,0|1,0,0]=3 7732 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,1,0,1,0,0|1,0,0]=3 7733 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,1,0,1,0,0|1,0,0]=3 7734 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,1,0,1,0,0|1,0,0]=3 7735 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,1,0,1,0,0|1,0,0]=3 7736 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,1,0,1,0,0|1,0,0]=3 7737 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,1,0,1,0,0|1,0,0]=3 7738 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,1,0,1,0,0|1,0,0]=3 7739 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [0,1,0,1,0,0|1,0,0]=3 7740 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [0,1,0,1,0,0|1,0,0]=3 7741 B8R1.36 BrCCOCC1CO1 34a_100000211926_102125554688 [0,1,0,1,0,0|1,0,0]=3 7742 B8R1.36 C#CCCNC1CC1 34a_100000212008_100000688953 [0,1,0,1,0,0|1,0,1]=4 7743 B8R1.36 C#CCCNC1CC1 34a_100000755551_100000211595 [0,1,0,1,0,0|1,0,1]=4 7744 B8R1.36 C#CCCOC1CC1 34a_100011215631_100000211595 [0,1,0,1,0,0|1,0,1]=4 7745 B8R1.36 C#CCCSC1CC1 62a_100000688953_100000211595 [0,1,0,1,0,0|1,0,1]=4 7746 B8R1.36 C#CCNCC1CC1 2230a_100000735609_100000038162 [0,1,0,1,0,0|1,0,1]=4 7747 B8R1.36 C#CCNCC1CC1 34a_100000212058_100000742324 [0,1,0,1,0,0|1,0,1]=4 7748 B8R1.36 C#CCNCC1CC1 34a_100000735609_100000184674 [0,1,0,1,0,0|1,0,1]=4 7749 B8R1.36 C#CCNCC1CO1 34a_100000212058_102125554688 [0,1,0,1,0,0|0,0,2]=4 7750 B8R1.36 C#CCOCC1CC1 34a_100000210247_100000742324 [0,1,0,1,0,0|1,0,1]=4 7751 B8R1.36 C#CCOCC1CC1 34a_100000211283_100000184674 [0,1,0,1,0,0|1,0,1]=4 7752 B8R1.36 C#CCOCC1CO1 34a_100000210247_102125554688 [0,1,0,1,0,0|0,0,2]=4 7753 B8R1.36 C#CCOC[C@@H]1CO1 34a_100000757423_100000184674 [0,1,0,1,0,0|0,0,2]=4 7754 B8R1.36 C#CCSCC1CC1 62a_100000038162_100000742324 [0,1,0,1,0,0|1,0,1]=4 7755 B8R1.36 C#CCSCC1CO1 62a_100000038162_102125554688 [0,1,0,1,0,0|0,0,2]=4 7756 B8R1.36 C#CCSC[C@@H]1CO1 62a_100000038162_100000745022 [0,1,0,1,0,0|0,0,2]=4 7757 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [0,1,0,1,0,0|1,0,1]=4 7758 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [0,1,0,1,0,0|1,0,1]=4 7759 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [0,1,0,1,0,0|1,0,1]=4 7760 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [0,1,0,1,0,0|1,0,1]=4 7761 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [0,1,0,1,0,0|1,0,1]=4 7762 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [0,1,0,1,0,0|1,0,1]=4 7763 B8R1.36 C=CCNCC1CO1 2230a_100020586998_100011216344 [0,1,0,1,0,0|0,0,2]=4 7764 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [0,1,0,1,0,0|1,0,1]=4 7765 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [0,1,0,1,0,0|1,0,1]=4 7766 B8R1.36 C=CCOCC1CO1 34a_200000210373_102125554688 [0,1,0,1,0,0|0,0,2]=4 7767 B8R1.36 C=CCOC[C@@H]1CO1 34a_100000757423_100015514636 [0,1,0,1,0,0|0,0,2]=4 7768 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [0,1,0,1,0,0|1,0,1]=4 7769 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [0,1,0,1,0,0|1,0,1]=4 7770 B8R1.36 C=CCSCC1CO1 62a_100000210623_102125554688 [0,1,0,1,0,0|0,0,2]=4 7771 B8R1.36 C=CCSCC1CO1 62a_102125554688_100000210623 [0,1,0,1,0,0|0,0,2]=4 7772 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000210623_100000745022 [0,1,0,1,0,0|0,0,2]=4 7773 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000745022_100000210623 [0,1,0,1,0,0|0,0,2]=4 7774 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [0,1,0,1,0,0|1,0,0]=3 7775 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [0,1,0,1,0,0|1,0,0]=3 7776 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [0,1,0,1,0,0|1,0,0]=3 7777 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [0,1,0,1,0,0|1,0,0]=3 7778 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [0,1,0,1,0,0|1,0,0]=3 7779 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [0,1,0,1,0,0|1,0,0]=3 7780 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [0,1,0,1,0,0|1,0,0]=3 7781 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [0,1,0,1,0,0|1,0,0]=3 7782 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,1,0,1,0,0|0,0,0]=2 7783 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,1,0,1,0,0|0,0,0]=2 7784 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [0,1,0,1,0,0|1,0,0]=3 7785 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [0,1,0,1,0,0|1,0,0]=3 7786 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,1,0,1,0,0|0,0,0]=2 7787 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,1,0,1,0,0|0,0,0]=2 7788 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,1,0,1,0,0|0,1,0]=3 7789 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,1,0,1,0,0|0,1,0]=3 7790 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,1,0,1,0,0|0,0,0]=2 7791 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,1,0,1,0,0|0,0,0]=2 7792 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,1,0,1,0,0|1,0,0]=3 7793 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,1,0,1,0,0|1,0,0]=3 7794 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [0,1,0,1,0,0|0,0,0]=2 7795 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,1,0,1,0,0|1,0,0]=3 7796 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,1,0,1,0,0|1,0,0]=3 7797 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,1,0,1,0,0|1,0,0]=3 7798 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [0,1,0,1,0,0|0,0,0]=2 7799 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [0,1,0,1,0,0|0,0,0]=2 7800 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [0,1,0,1,0,0|2,0,0]=4 7801 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,1,0,1,0,0|1,0,0]=3 7802 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,1,0,1,0,0|1,0,0]=3 7803 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [0,1,0,1,0,0|0,0,0]=2 7804 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [0,1,0,1,0,0|0,0,0]=2 7805 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [0,1,0,1,0,0|0,0,0]=2 7806 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [0,1,0,1,0,0|0,0,0]=2 7807 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [0,1,0,1,0,0|0,0,0]=2 7808 B8R1.36 COCC#CC1CC1 34a_100000083941_200000210301 [0,1,0,1,0,0|0,0,2]=4 7809 B8R1.36 COCC#CC1CC1 34a_100138415774_100009895102 [0,1,0,1,0,0|0,0,2]=4 7810 B8R1.36 COCC#CC1CC1 7a_100000083941_200000210301 [0,1,0,1,0,0|0,0,2]=4 7811 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [0,1,0,1,0,0|0,0,0]=2 7812 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [0,1,0,1,0,0|1,0,0]=3 7813 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 7814 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [0,1,0,1,0,0|1,0,0]=3 7815 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [0,1,0,1,0,0|1,0,0]=3 7816 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [0,1,0,1,0,0|1,0,0]=3 7817 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [0,1,0,1,0,0|1,0,0]=3 7818 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [0,1,0,1,0,0|1,0,0]=3 7819 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [0,1,0,1,0,0|1,0,0]=3 7820 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [0,1,0,1,0,0|1,0,0]=3 7821 B8R1.36 COCSCC1CS1 62a_100000031435_100000766300 [0,1,0,1,0,0|1,1,0]=4 7822 B8R1.36 COCSCC1CS1 62a_100000766300_100000031435 [0,1,0,1,0,0|1,1,0]=4 7823 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [0,1,0,1,0,0|1,0,0]=3 7824 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [0,1,0,1,0,0|1,0,0]=3 7825 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,1,0,1,0,0|0,0,0]=2 7826 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,1,0,1,0,0|0,0,0]=2 7827 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [0,1,0,1,0,0|1,1,0]=4 7828 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [0,1,0,1,0,0|1,1,0]=4 7829 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [0,1,0,1,0,0|1,1,0]=4 7830 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [0,1,0,1,0,0|1,1,0]=4 7831 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [0,1,0,1,0,0|1,1,0]=4 7832 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [0,1,0,1,0,0|1,1,0]=4 7833 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [0,1,0,1,0,0|1,0,0]=3 7834 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [0,1,0,1,0,0|1,1,0]=4 7835 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [0,1,0,1,0,0|1,1,0]=4 7836 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [0,1,0,1,0,0|1,0,0]=3 7837 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [0,1,0,1,0,0|1,0,0]=3 7838 B8R1.36 CSCSCC1CS1 62a_100000031435_100011218213 [0,1,0,1,0,0|1,1,0]=4 7839 B8R1.36 CSCSCC1CS1 62a_100011218213_100000031435 [0,1,0,1,0,0|1,1,0]=4 7840 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [0,1,0,1,0,0|1,0,0]=3 7841 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [0,1,0,1,0,0|1,0,0]=3 7842 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [0,1,0,1,0,0|1,0,0]=3 7843 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [0,1,0,1,0,0|1,0,0]=3 7844 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [0,1,0,1,0,0|1,0,0]=3 7845 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [0,1,0,1,0,0|1,0,0]=3 7846 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [0,1,0,1,0,0|1,0,0]=3 7847 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [0,1,0,1,0,0|1,0,0]=3 7848 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [0,1,0,1,0,0|1,0,0]=3 7849 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [0,1,0,1,0,0|1,0,0]=3 7850 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [0,1,0,1,0,0|1,0,0]=3 7851 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [0,1,0,1,0,0|1,0,0]=3 7852 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [0,1,0,1,0,0|1,0,0]=3 7853 B8R1.36 FCCOC[C@@H]1CO1 34a_100000757423_100011217306 [0,1,0,1,0,0|1,0,0]=3 7854 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [0,1,0,1,0,0|1,0,0]=3 7855 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [0,1,0,1,0,0|1,0,0]=3 7856 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [0,1,0,1,0,0|1,0,0]=3 7857 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [0,1,0,1,0,0|1,0,0]=3 7858 B8R1.36 FCCSCC1CS1 62a_100000031435_100011217306 [0,1,0,1,0,0|1,1,0]=4 7859 B8R1.36 FCCSCC1CS1 62a_100011217306_100000031435 [0,1,0,1,0,0|1,1,0]=4 7860 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [0,1,0,1,0,0|1,0,0]=3 7861 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [0,1,0,1,0,0|1,0,0]=3 7862 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [0,1,0,1,0,0|1,0,0]=3 7863 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [0,1,0,1,0,0|1,0,0]=3 7864 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [0,1,0,1,0,0|1,0,0]=3 7865 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [0,1,0,1,0,0|1,0,0]=3 7866 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [0,1,0,1,0,0|1,0,0]=3 7867 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [0,1,0,1,0,0|1,0,0]=3 7868 B8R1.36 FCSCCC1CO1 62a_100000732470_100015361967 [0,1,0,1,0,0|1,0,0]=3 7869 B8R1.36 FCSCCC1CO1 62a_100015361967_100000732470 [0,1,0,1,0,0|1,0,0]=3 7870 B8R1.36 N#CCCSC1CC1 62a_100011215226_100000211595 [0,1,0,1,0,0|1,0,1]=4 7871 B8R1.36 N#CCNCC1CC1 2230a_100000735609_100011215382 [0,1,0,1,0,0|1,0,1]=4 7872 B8R1.36 N#CCSCC1CC1 62a_100000756562_100011215382 [0,1,0,1,0,0|1,0,1]=4 7873 B8R1.36 N#CCSCC1CC1 62a_100011215382_100000742324 [0,1,0,1,0,0|1,0,1]=4 7874 B8R1.36 N#CCSCC1CO1 62a_100011215382_102125554688 [0,1,0,1,0,0|1,0,1]=4 7875 B8R1.36 N#CCSCC1CO1 62a_102125554688_100011215382 [0,1,0,1,0,0|1,0,1]=4 7876 B8R1.36 N#CCSC[C@@H]1CO1 62a_100000745022_100011215382 [0,1,0,1,0,0|1,0,1]=4 7877 B8R1.36 N#CCSC[C@@H]1CO1 62a_100011215382_100000745022 [0,1,0,1,0,0|1,0,1]=4 7878 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [0,1,0,1,0,0|1,0,0]=3 7879 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [0,1,0,1,0,0|1,0,0]=3 7880 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [0,1,0,1,0,0|1,0,0]=3 7881 B8R1.36 NOCCOC1CC1 34a_100000700252_100000211595 [0,1,0,1,0,0|1,0,0]=3 7882 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,1,0,1,0,0|0,0,2]=4 7883 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,1,0,1,0,0|0,0,2]=4 7884 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,1,0,1,0,0|0,0,2]=4 7885 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,1,0,1,0,0|1,0,1]=4 7886 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,1,0,1,0,0|0,0,2]=4 7887 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,1,0,1,0,0|0,0,2]=4 7888 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,1,0,1,0,0|1,0,1]=4 7889 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,1,0,1,0,0|1,0,1]=4 7890 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,1,0,1,0,0|1,0,1]=4 7891 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,1,0,1,0,0|1,0,1]=4 7892 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [0,1,0,1,0,0|0,0,0]=2 7893 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,1,0,1,0,0|0,0,0]=2 7894 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [0,1,0,1,0,0|0,0,0]=2 7895 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [0,1,0,1,0,0|0,0,0]=2 7896 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [0,1,0,1,0,0|0,0,0]=2 7897 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [0,1,0,1,0,0|0,0,0]=2 7898 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [0,1,0,1,0,0|0,0,0]=2 7899 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [0,1,0,1,0,0|1,0,0]=3 7900 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [0,1,0,1,0,0|1,0,0]=3 7901 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [0,1,0,1,0,0|0,0,0]=2 7902 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [0,1,0,1,0,0|1,0,0]=3 7903 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [0,1,0,1,0,0|0,0,0]=2 7904 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [0,1,0,1,0,0|0,0,0]=2 7905 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [0,1,0,1,0,0|1,0,0]=3 7906 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [0,1,0,1,0,0|1,0,0]=3 7907 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [0,1,0,1,0,0|1,0,0]=3 7908 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [0,1,0,1,0,0|1,0,0]=3 7909 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [0,1,0,1,0,0|1,0,0]=3 7910 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [0,1,0,1,0,0|1,0,0]=3 7911 B8R1.36 [13CH3]OCC#CC1CC1 34a_100000083941_200025704644 [0,1,0,1,0,0|0,0,2]=4 7912 B8R1.36 [13CH3]OCC#CC1CC1 7a_100000083941_200025704644 [0,1,0,1,0,0|0,0,2]=4 7913 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 7914 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,1,0,1,0,0|0,0,0]=2 7915 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,1,0,1,0,0|0,0,0]=2 7916 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,1,0,0|2,0,0]=4 7917 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,1,0,1,0,0|1,0,0]=3 7918 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,1,0,1,0,0|1,0,0]=3 7919 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,1,0,1,0,0|2,0,0]=4 7920 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,1,0,1,0,0|2,0,0]=4 7921 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,1,0,1,0,0|2,0,0]=4 7922 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,1,0,1,0,0|2,0,0]=4 7923 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,1,0,1,0,0|2,0,0]=4 7924 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,1,0,1,0,0|2,0,0]=4 7925 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,1,0,0|1,0,0]=3 7926 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,1,0,0|1,0,0]=3 7927 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,1,0,0|1,0,0]=3 7928 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,1,0,0|2,0,0]=4 7929 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,1,0,0|1,0,0]=3 7930 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,1,0,0|1,0,0]=3 7931 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,1,0,0|2,0,0]=4 7932 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,1,0,1,0,0|2,0,0]=4 7933 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,1,0,1,0,0|2,0,0]=4 7934 B8R1.1 FCN1CC[C@@H](C1)F 269982a_100015203821_100015361967 [0,1,0,1,0,0|2,0,0]=4 7935 B8R1.1 FCN1CC[C@@H](C1)F 34a_100015203821_100015361967 [0,1,0,1,0,0|2,0,0]=4 7936 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [0,1,0,1,0,0|2,0,0]=4 7937 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,1,0,0|1,0,0]=3 7938 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,1,0,0|1,0,0]=3 7939 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,1,0,0|1,0,0]=3 7940 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,1,0,0|1,0,0]=3 7941 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,1,0,1,0,0|2,0,0]=4 7942 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,1,0,1,0,0|2,0,0]=4 7943 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,1,0,1,0,0|2,0,0]=4 7944 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,1,0,1,0,0|2,0,0]=4 7945 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,1,0,1,0,0|2,0,0]=4 7946 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,1,0,1,0,0|2,0,0]=4 7947 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,1,0,1,0,0|2,0,0]=4 7948 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,1,0,1,0,0|2,0,0]=4 7949 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,1,0,1,0,0|2,0,0]=4 7950 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,1,0,1,0,0|1,0,0]=3 7951 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,1,0,1,0,0|1,0,0]=3 7952 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,1,0,1,0,0|2,0,0]=4 7953 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,1,0,1,0,0|2,0,0]=4 7954 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,1,0,1,0,0|2,0,0]=4 7955 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,1,0,1,0,0|1,0,0]=3 7956 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,1,0,1,0,0|1,0,0]=3 7957 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 7958 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 7959 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 7960 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 7961 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,1]=4 7962 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,1]=4 7963 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|0,0,1]=3 7964 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,1,0,1,0,0|2,0,0]=4 7965 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,1,0,1,0,0|2,0,0]=4 7966 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,1,0,1,0,0|2,0,0]=4 7967 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,1,0,1,0,0|2,0,0]=4 7968 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,1,0,1,0,0|2,0,0]=4 7969 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,1,0,1,0,0|2,0,0]=4 7970 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,1,0,1,0,0|2,0,0]=4 7971 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,1,0,1,0,0|2,0,0]=4 7972 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,1,0,1,0,0|2,0,0]=4 7973 B8R1.38 CN(CF)C1CCC1 269982a_100000758072_100015361967 [0,1,0,1,0,0|2,0,0]=4 7974 B8R1.38 CN(CF)C1CCC1 34a_100000758072_100015361967 [0,1,0,1,0,0|2,0,0]=4 7975 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|1,0,1]=4 7976 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 7977 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 7978 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 7979 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 7980 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,1,0,1,0,0|2,0,0]=4 7981 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 7982 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 7983 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 7984 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,1,0,1,0,0|1,0,0]=3 7985 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|1,0,1]=4 7986 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|1,0,1]=4 7987 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|0,0,1]=3 7988 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|1,0,1]=4 7989 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|1,0,1]=4 7990 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|1,0,1]=4 7991 B8R1.40 CC(CF)OC1CC1 34a_100016041109_100000211595 [0,1,0,1,0,0|2,0,0]=4 7992 B8R1.40 CC(CN)OC1CC1 34a_100000210904_100000211595 [0,1,0,1,0,0|2,0,0]=4 7993 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,1,0,1,0,0|1,0,0]=3 7994 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,1,0,1,0,0|1,0,0]=3 7995 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|1,0,1]=4 7996 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|1,0,1]=4 7997 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|0,0,1]=3 7998 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|0,1,1]=4 7999 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|0,0,1]=3 8000 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,1,0,1,0,0|2,0,0]=4 8001 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,1,0,1,0,0|2,0,0]=4 8002 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [0,1,0,1,0,0|2,0,0]=4 8003 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [0,1,0,1,0,0|2,0,0]=4 8004 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [0,1,0,1,0,0|2,0,0]=4 8005 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [0,1,0,1,0,0|2,0,0]=4 8006 B8R1.40 CCN(C)CC1CO1 2230a_100000225621_100011216344 [0,1,0,1,0,0|1,0,0]=3 8007 B8R1.40 CCN(C)CC1CO1 269982a_100000225621_102125554688 [0,1,0,1,0,0|1,0,0]=3 8008 B8R1.40 CCN(C)CC1CS1 269982a_100000225621_100000031435 [0,1,0,1,0,0|1,1,0]=4 8009 B8R1.40 CCN(C)C[C@@H]1CO1 269982a_100000225621_100000745022 [0,1,0,1,0,0|1,0,0]=3 8010 B8R1.40 CN(CF)CC1CC1 269982a_100000741881_100015361967 [0,1,0,1,0,0|2,0,0]=4 8011 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [0,1,0,1,0,0|2,0,0]=4 8012 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,1,0,1,0,0|1,0,0]=3 8013 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,1,0,1,0,0|1,0,1]=4 8014 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|0,0,1]=3 8015 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|1,0,1]=4 8016 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,1,0,1,0,0|1,0,1]=4 8017 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|1,0,1]=4 8018 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|1,0,1]=4 8019 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|1,0,1]=4 8020 B8R1.41 CC1(CC1)COCF 7a_100000698024_100015361967 [0,1,0,1,0,0|2,0,0]=4 8021 B8R1.41 CC1(CC1)NCCF 2230a_100000757604_100011217306 [0,1,0,1,0,0|2,0,0]=4 8022 B8R1.41 CC1(CC1)NCCO 2230a_100000757604_100000211926 [0,1,0,1,0,0|1,0,0]=3 8023 B8R1.41 CC1(CC1)OCCF 7a_100011725673_100011217306 [0,1,0,1,0,0|2,0,0]=4 8024 B8R1.41 CC1(CC1)OCCO 7a_100011725673_100000211926 [0,1,0,1,0,0|1,0,0]=3 8025 B8R1.41 CC1(CO1)CSCF 62a_100000760498_100015361967 [0,1,0,1,0,0|2,0,0]=4 8026 B8R1.41 CC1(CO1)CSCF 62a_100015361967_100000760498 [0,1,0,1,0,0|2,0,0]=4 8027 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,1,0,1,0,0|2,0,0]=4 8028 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,1,0,1,0,0|2,0,0]=4 8029 B8R1.41 CCNCC1(CC1)C 2230a_100000766693_100000210202 [0,1,0,1,0,0|2,0,0]=4 8030 B8R1.41 CCNCC1(CC1)O 2230a_100011936951_100000210202 [0,1,0,1,0,0|2,0,0]=4 8031 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [0,1,0,1,0,0|2,0,0]=4 8032 B8R1.41 CCOCC1(CC1)F 34a_200000703853_100000210202 [0,1,0,1,0,0|2,0,0]=4 8033 B8R1.41 CCOCC1(CC1)F 7a_200000703853_100000210202 [0,1,0,1,0,0|2,0,0]=4 8034 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [0,1,0,1,0,0|1,0,0]=3 8035 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [0,1,0,1,0,0|1,0,0]=3 8036 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [0,1,0,1,0,0|1,0,0]=3 8037 B8R1.41 FCOCC1(CC1)F 34a_200000703853_100015361967 [0,1,0,1,0,0|2,0,0]=4 8038 B8R1.41 FCOCC1(CC1)F 7a_200000703853_100015361967 [0,1,0,1,0,0|2,0,0]=4 8039 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,1,0,1,0,0|2,0,0]=4 8040 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,1,0,1,0,0|2,0,0]=4 8041 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,1,0,1,0,0|2,0,0]=4 8042 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [0,1,0,1,0,0|2,0,0]=4 8043 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [0,1,0,1,0,0|2,0,0]=4 8044 B8R1.47 CCC1CN(C1)CF 269982a_100015205115_100015361967 [0,1,0,1,0,0|2,0,0]=4 8045 B8R1.47 CCN1CC(C1)CF 269982a_100010363649_100000204670 [0,1,0,1,0,0|2,0,0]=4 8046 B8R1.47 CCN1CC(C1)CF 34a_100010363649_100000210202 [0,1,0,1,0,0|2,0,0]=4 8047 B8R1.47 CCN1CC(C1)CO 269982a_100016987283_100000204670 [0,1,0,1,0,0|1,0,0]=3 8048 B8R1.47 CCN1CC(C1)CO 34a_100016987283_100000210202 [0,1,0,1,0,0|1,0,0]=3 8049 B8R1.47 CNC1CC(C1)CO 270004a_106832991635_100000101936 [0,1,0,1,0,0|1,0,0]=3 8050 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,1,0,1,0,0|1,0,0]=3 8051 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,1,0,1,0,0|1,0,0]=3 8052 B8R1.47 OCC1CN(C1)CF 269982a_100016987283_100015361967 [0,1,0,1,0,0|2,0,0]=4 8053 B8R1.47 OCC1CN(C1)CF 34a_100016987283_100015361967 [0,1,0,1,0,0|2,0,0]=4 8054 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,1,0,1,0,0|1,0,0]=3 8055 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,1,0,1,0,0|1,0,0]=3 8056 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 8057 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 8058 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 8059 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 8060 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 8061 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 8062 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 8063 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 8064 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4 8065 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4 8066 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,1,0,1,0,0|1,0,1]=4 8067 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|1,0,1]=4 8068 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|1,0,1]=4 8069 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,1,0,0|1,0,0]=3 8070 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,1,0,0|1,0,0]=3 8071 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,1,0,0|1,0,0]=3 8072 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,1,0,0|1,0,0]=3 8073 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,1,0,0|1,0,0]=3 8074 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,1,0,0|1,0,0]=3 8075 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,1,0,0|2,0,0]=4 8076 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,1,0,0|2,0,0]=4 8077 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,1,0,0|2,0,0]=4 8078 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,1,0,0|1,0,0]=3 8079 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,1,0,0|1,0,0]=3 8080 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,1,0,0|2,0,0]=4 8081 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,1,0,0|2,0,0]=4 8082 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 8083 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 8084 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 8085 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 8086 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 8087 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 8088 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,1,0,0|2,0,0]=4 8089 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,1,0,0|2,0,0]=4 8090 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,1,0,0|2,0,0]=4 8091 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,1,0,0|1,0,0]=3 8092 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,1,0,0|1,0,0]=3 8093 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,1,0,0|2,0,0]=4 8094 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,1,0,0|2,0,0]=4 8095 B8R1.6 CC1CN(C1)CCF 2230a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 8096 B8R1.6 CC1CN(C1)CCF 269982a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 8097 B8R1.6 CC1CN(C1)CCF 34a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 8098 B8R1.6 CC1CN(C1)CCO 2230a_100000702820_100000211926 [0,1,0,1,0,0|1,0,0]=3 8099 B8R1.6 CC1CN(C1)CCO 269982a_100000702820_100000211926 [0,1,0,1,0,0|1,0,0]=3 8100 B8R1.6 CC1CN(C1)CCO 34a_100000702820_100000211926 [0,1,0,1,0,0|1,0,0]=3 8101 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 8102 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 8103 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 8104 B8R1.6 CCCN1CC(C1)F 2230a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 8105 B8R1.6 CCCN1CC(C1)F 269982a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 8106 B8R1.6 CCCN1CC(C1)F 34a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 8107 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [0,1,0,1,0,0|1,0,0]=3 8108 B8R1.6 CCNC1CC(C1)F 2230a_100016993743_100000210202 [0,1,0,1,0,0|2,0,0]=4 8109 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [0,1,0,1,0,0|1,0,0]=3 8110 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [0,1,0,1,0,0|1,0,0]=3 8111 B8R1.6 COCC1CC(C1)Cl 34a_100009874164_200000210301 [0,1,0,1,0,0|2,0,0]=4 8112 B8R1.6 COCN1CC(C1)O 269982a_100000749847_100000766300 [0,1,0,1,0,0|2,0,0]=4 8113 B8R1.6 CSCN1CC(C1)O 269982a_100000749847_100011218213 [0,1,0,1,0,0|2,0,0]=4 8114 B8R1.6 FCCN1CC(C1)F 2230a_100000690557_100011217306 [0,1,0,1,0,0|2,0,0]=4 8115 B8R1.6 FCCN1CC(C1)F 269982a_100000690557_100011217306 [0,1,0,1,0,0|2,0,0]=4 8116 B8R1.6 FCCN1CC(C1)F 34a_100000690557_100011217306 [0,1,0,1,0,0|2,0,0]=4 8117 B8R1.6 OC1CN(C1)CCF 269982a_100000749847_100011217306 [0,1,0,1,0,0|2,0,0]=4 8118 B8R1.6 OCCN1CC(C1)F 2230a_100000690557_100000211926 [0,1,0,1,0,0|1,0,0]=3 8119 B8R1.6 OCCN1CC(C1)F 269982a_100000690557_100000211926 [0,1,0,1,0,0|1,0,0]=3 8120 B8R1.6 OCCN1CC(C1)F 34a_100000690557_100000211926 [0,1,0,1,0,0|1,0,0]=3 8121 B8R1.6 OCCN1CC(C1)O 269982a_100000749847_100000211926 [0,1,0,1,0,0|1,0,0]=3 8122 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [0,1,0,1,0,0|1,0,0]=3 8123 B8R1.6 [13CH3]OCC1CC(C1)Cl 34a_100009874164_200025704644 [0,1,0,1,0,0|2,0,0]=4 8124 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|0,0,2]=4 8125 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|0,0,2]=4 8126 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|0,1,1]=4 8127 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|0,0,1]=3 8128 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [0,1,0,1,0,0|2,0,0]=4 8129 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [0,1,0,1,0,0|2,0,0]=4 8130 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 8131 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 8132 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 8133 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 8134 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,1,0,1,0,0|2,0,0]=4 8135 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 8136 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 8137 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 8138 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 8139 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|0,0,2]=4 8140 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|0,1,1]=4 8141 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|0,0,1]=3 8142 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 8143 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 8144 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 8145 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 8146 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 8147 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 8148 B8R1.20 CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000210206 [0,1,0,1,0,0|2,0,0]=4 8149 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000210206 [0,1,0,1,0,0|2,0,0]=4 8150 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000210206 [0,1,0,1,0,0|2,0,0]=4 8151 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,1,0,1,0,0|2,0,0]=4 8152 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,1,0,1,0,0|2,0,0]=4 8153 B8R1.27 CCNC1CC1(F)F 2230a_100020610826_100000210202 [0,1,0,1,0,0|2,0,0]=4 8154 B8R1.27 CCNC1CC1(F)F 34a_100020610826_100000210202 [0,1,0,1,0,0|2,0,0]=4 8155 B8R1.27 CNCC1CC1(F)F 2230a_106832991635_100009817841 [0,1,0,1,0,0|2,0,0]=4 8156 B8R1.27 CNCC1CC1(F)F 34a_100102657272_100009817841 [0,1,0,1,0,0|2,0,0]=4 8157 B8R1.27 CNCC1CC1(F)F 7a_106832991635_100009817841 [0,1,0,1,0,0|2,0,0]=4 8158 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,1,0,1,0,0|2,0,0]=4 8159 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,1,0,1,0,0|2,0,0]=4 8160 B8R1.27 COCC1CC1(F)F 34a_100000056500_200000210301 [0,1,0,1,0,0|2,0,0]=4 8161 B8R1.27 COCC1CC1(F)F 34a_100138415774_100009817841 [0,1,0,1,0,0|2,0,0]=4 8162 B8R1.27 COCC1CC1(F)F 7a_100000056500_200000210301 [0,1,0,1,0,0|2,0,0]=4 8163 B8R1.27 CSCC1CC1(F)F 62a_100009817841_200000210301 [0,1,0,1,0,0|2,0,0]=4 8164 B8R1.27 CSCC1CC1(F)F 62a_200000210301_100009817841 [0,1,0,1,0,0|2,0,0]=4 8165 B8R1.27 [13CH3]OCC1CC1(F)F 34a_100000056500_200025704644 [0,1,0,1,0,0|2,0,0]=4 8166 B8R1.27 [13CH3]OCC1CC1(F)F 7a_100000056500_200025704644 [0,1,0,1,0,0|2,0,0]=4 8167 B8R1.27 [13CH3]SCC1CC1(F)F 62a_100009817841_200025704644 [0,1,0,1,0,0|2,0,0]=4 8168 B8R1.27 [13CH3]SCC1CC1(F)F 62a_200025704644_100009817841 [0,1,0,1,0,0|2,0,0]=4 8169 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [0,1,0,1,0,0|2,0,0]=4 8170 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [0,1,0,1,0,0|2,0,0]=4 8171 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|1,0,1]=4 8172 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|1,0,1]=4 8173 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|0,0,2]=4 8174 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|0,0,2]=4 8175 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|0,0,1]=3 8176 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [0,1,0,1,0,0|2,0,0]=4 8177 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [0,1,0,1,0,0|2,0,0]=4 8178 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [0,1,0,1,0,0|2,0,0]=4 8179 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [0,1,0,1,0,0|2,0,0]=4 8180 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,1,0,1,0,0|2,0,0]=4 8181 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,1,0,1,0,0|2,0,0]=4 8182 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [0,1,0,1,0,0|2,0,0]=4 8183 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,1,0,1,0,0|1,0,0]=3 8184 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [0,1,0,1,0,0|2,0,0]=4 8185 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [0,1,0,1,0,0|2,0,0]=4 8186 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [0,1,0,1,0,0|2,0,0]=4 8187 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [0,1,0,1,0,0|2,0,0]=4 8188 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [0,1,0,1,0,0|2,0,0]=4 8189 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [0,1,0,1,0,0|1,0,0]=3 8190 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [0,1,0,1,0,0|1,0,0]=3 8191 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [0,1,0,1,0,0|2,0,0]=4 8192 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [0,1,0,1,0,0|2,0,0]=4 8193 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [0,1,0,1,0,0|2,0,0]=4 8194 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,1,0,1,0,0|1,0,0]=3 8195 B8R1.34 FC(F)CN1CCC1 269982a_100000754969_100011934356 [0,1,0,1,0,0|2,0,0]=4 8196 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|0,0,2]=4 8197 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,1,0,1,0,0|0,0,2]=4 8198 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,1,0,1,0,0|0,0,2]=4 8199 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,1,0,1,0,0|0,0,1]=3 8200 B8R1.35 CC(Br)COC1CC1 34a_100012180447_100000211595 [0,1,0,1,0,0|2,0,0]=4 8201 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [0,1,0,1,0,0|2,0,0]=4 8202 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [0,1,0,1,0,0|2,0,0]=4 8203 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [0,1,0,1,0,0|2,0,0]=4 8204 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [0,1,0,1,0,0|2,0,0]=4 8205 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [0,1,0,1,0,0|2,0,0]=4 8206 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [0,1,0,1,0,0|2,0,0]=4 8207 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [0,1,0,1,0,0|2,0,0]=4 8208 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [0,1,0,1,0,0|2,0,0]=4 8209 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [0,1,0,1,0,0|1,0,0]=3 8210 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [0,1,0,1,0,0|1,0,0]=3 8211 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [0,1,0,1,0,0|2,0,0]=4 8212 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [0,1,0,1,0,0|2,0,0]=4 8213 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [0,1,0,1,0,0|1,0,0]=3 8214 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [0,1,0,1,0,0|1,0,0]=3 8215 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [0,1,0,1,0,0|2,0,0]=4 8216 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [0,1,0,1,0,0|2,0,0]=4 8217 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [0,1,0,1,0,0|1,0,0]=3 8218 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [0,1,0,1,0,0|1,0,0]=3 8219 B8R1.35 CC(C)SCC1CS1 62a_100000031435_100000210206 [0,1,0,1,0,0|1,1,0]=4 8220 B8R1.35 CC(C)SCC1CS1 62a_100000210206_100000031435 [0,1,0,1,0,0|1,1,0]=4 8221 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [0,1,0,1,0,0|1,0,0]=3 8222 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [0,1,0,1,0,0|1,0,0]=3 8223 B8R1.35 CC(F)COC1CC1 34a_100015925927_100000211595 [0,1,0,1,0,0|2,0,0]=4 8224 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,1,0,1,0,0|1,0,0]=3 8225 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,1,0,1,0,0|1,0,0]=3 8226 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,1,0,1,0,0|1,0,0]=3 8227 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [0,1,0,1,0,0|2,0,0]=4 8228 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [0,1,0,1,0,0|2,0,0]=4 8229 B8R1.35 CN(C)CCC1CO1 2230a_100102631434_100000732470 [0,1,0,1,0,0|1,0,0]=3 8230 B8R1.35 CN(C)CCC1CO1 269982a_100102631434_100000732470 [0,1,0,1,0,0|1,0,0]=3 8231 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [0,1,0,1,0,0|2,0,0]=4 8232 B8R1.35 C[C@@H](N)COC1CC1 34a_100000737577_100000211595 [0,1,0,1,0,0|2,0,0]=4 8233 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,1,0,1,0,0|1,0,0]=3 8234 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,1,0,1,0,0|1,0,0]=3 8235 B8R1.35 FC(F)CNC1CC1 34a_100000212008_100011934356 [0,1,0,1,0,0|2,0,0]=4 8236 B8R1.35 FC(F)CNC1CC1 34a_100000765723_100000211595 [0,1,0,1,0,0|2,0,0]=4 8237 B8R1.35 FC(F)COC1CC1 34a_100000743014_100000211595 [0,1,0,1,0,0|2,0,0]=4 8238 B8R1.35 FC(F)CSC1CC1 62a_100011934356_100000211595 [0,1,0,1,0,0|2,0,0]=4 8239 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|1,0,1]=4 8240 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,1,0,1,0,0|0,0,2]=4 8241 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|0,0,2]=4 8242 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|0,0,2]=4 8243 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200000210301 [0,1,0,1,0,0|2,0,0]=4 8244 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200000210301 [0,1,0,1,0,0|2,0,0]=4 8245 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [0,1,0,1,0,0|2,0,0]=4 8246 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [0,1,0,1,0,0|2,0,0]=4 8247 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 8248 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 8249 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 8250 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 8251 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200025704644 [0,1,0,1,0,0|2,0,0]=4 8252 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200025704644 [0,1,0,1,0,0|2,0,0]=4 8253 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [0,1,0,1,0,0|2,0,0]=4 8254 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [0,1,0,1,0,0|2,0,0]=4 8255 B8R1.37 CC(NCF)C1CC1 34a_100000700016_100015361967 [0,1,0,1,0,0|2,0,0]=4 8256 B8R1.37 CC(OCF)C1CC1 34a_100000744524_100015361967 [0,1,0,1,0,0|2,0,0]=4 8257 B8R1.37 CC(OCF)C1CC1 7a_100000744524_100015361967 [0,1,0,1,0,0|2,0,0]=4 8258 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,1,0,1,0,0|1,0,1]=4 8259 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|0,0,1]=3 8260 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 8261 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 8262 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 8263 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [0,1,0,1,0,0|2,0,0]=4 8264 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 8265 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 8266 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 8267 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 8268 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 8269 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 8270 B8R1.37 CCNC(C)C1CC1 2230a_100000700016_100000210202 [0,1,0,1,0,0|2,0,0]=4 8271 B8R1.37 CCNC(C)C1CC1 269862a_100015525214_100000210639 [0,1,0,1,0,0|2,0,0]=4 8272 B8R1.37 CCNC(C)C1CC1 34a_100000700016_100000210202 [0,1,0,1,0,0|2,0,0]=4 8273 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,1,0,1,0,0|1,0,0]=3 8274 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,1,0,1,0,0|2,0,0]=4 8275 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,1,0,1,0,0|2,0,0]=4 8276 B8R1.37 CN(CCF)C1CC1 2230a_100000226674_100011217306 [0,1,0,1,0,0|2,0,0]=4 8277 B8R1.37 CN(CCF)C1CC1 269982a_100000226674_100011217306 [0,1,0,1,0,0|2,0,0]=4 8278 B8R1.37 CN(CCO)C1CC1 2230a_100000226674_100000211926 [0,1,0,1,0,0|1,0,0]=3 8279 B8R1.37 CN(CCO)C1CC1 2230a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 8280 B8R1.37 CN(CCO)C1CC1 269982a_100000210263_100000211595 [0,1,0,1,0,0|1,0,0]=3 8281 B8R1.37 CN(CCO)C1CC1 269982a_100000226674_100000211926 [0,1,0,1,0,0|1,0,0]=3 8282 B8R1.37 CN(CCO)C1CC1 269982a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 8283 B8R1.37 CN(CCO)C1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|1,0,0]=3 8284 B8R1.37 CNCC(O)C1CC1 2230a_100000751198_200000210301 [0,1,0,1,0,0|2,0,0]=4 8285 B8R1.37 CNCC(O)C1CC1 34a_100000751198_200000210301 [0,1,0,1,0,0|2,0,0]=4 8286 B8R1.37 COC[C@H](N)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|2,0,0]=4 8287 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,1,0,1,0,0|1,0,1]=4 8288 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|1,0,1]=4 8289 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|0,0,1]=3 8290 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|1,0,1]=4 8291 B8R1.37 [13CH3]N(CCO)C1CC1 2230a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 8292 B8R1.37 [13CH3]N(CCO)C1CC1 269982a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 8293 B8R1.37 [13CH3]N(CCO)C1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|1,0,0]=3 8294 B8R1.37 [13CH3]NCC(O)C1CC1 2230a_100000751198_200025704644 [0,1,0,1,0,0|2,0,0]=4 8295 B8R1.37 [13CH3]NCC(O)C1CC1 34a_100000751198_200025704644 [0,1,0,1,0,0|2,0,0]=4 8296 B8R1.37 [13CH3]OC[C@H](N)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|2,0,0]=4 8297 B8R1.66 CC1(CCC1)CN[13CH3] 2230a_100000706607_200025704644 [0,1,0,1,0,0|2,0,0]=4 8298 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,1,0,1,0,0|2,0,0]=4 8299 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,1,0,1,0,0|2,0,0]=4 8300 B8R1.66 CC1(CCC1)NCF 34a_100000692455_100015361967 [0,1,0,1,0,0|2,0,0]=4 8301 B8R1.66 CC1(CCC1)OCF 34a_100000759064_100015361967 [0,1,0,1,0,0|2,0,0]=4 8302 B8R1.66 CC1(CCC1)OCF 7a_100000759064_100015361967 [0,1,0,1,0,0|2,0,0]=4 8303 B8R1.66 CCNC1(CCC1)C 2230a_100000692455_100000210202 [0,1,0,1,0,0|2,0,0]=4 8304 B8R1.66 CCNC1(CCC1)C 34a_100000692455_100000210202 [0,1,0,1,0,0|2,0,0]=4 8305 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,1,0,1,0,0|2,0,0]=4 8306 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,1,0,1,0,0|2,0,0]=4 8307 B8R1.66 CNCC1(CCC1)C 2230a_100000706607_200000210301 [0,1,0,1,0,0|2,0,0]=4 8308 B8R1.66 CNCC1(CCC1)C 2230a_106832991635_100000726658 [0,1,0,1,0,0|2,0,0]=4 8309 B8R1.66 CNCC1(CCC1)C 34a_100102657272_100000726658 [0,1,0,1,0,0|2,0,0]=4 8310 B8R1.66 CNCC1(CCC1)C 7a_106832991635_100000726658 [0,1,0,1,0,0|2,0,0]=4 8311 B8R1.66 CNCC1(CCC1)O 2230a_100000752638_200000210301 [0,1,0,1,0,0|2,0,0]=4 8312 B8R1.66 COCC1(CCC1)C 34a_100138415774_100000726658 [0,1,0,1,0,0|2,0,0]=4 8313 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,1,0,1,0,0|2,0,0]=4 8314 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,1,0,1,0,0|2,0,0]=4 8315 B8R1.66 [13CH3]NCC1(CCC1)O 2230a_100000752638_200025704644 [0,1,0,1,0,0|2,0,0]=4 8316 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,0,0,2,0,0|2,0,0]=4 8317 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,0,0,2,0,0|2,0,0]=4 8318 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,0,0,2,0,0|2,0,0]=4 8319 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,0,0,2,0,0|2,0,0]=4 8320 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,0,0,2,0,0|2,0,0]=4 8321 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,0,0,2,0,0|2,0,0]=4 8322 B8R2.1 C1CN(C1)C2CC2 269982a_100000754969_100000211595 [0,0,0,2,0,0|2,0,0]=4 8323 B8R2.24 C1CC1NC2CC2 34a_100000212008_100000211595 [0,0,0,2,0,0|2,0,0]=4