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|1,1,1]=3 6 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,0,0,0,0|1,1,1]=3 7 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,0,0,0,0|1,1,1]=3 8 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,0,0,0,0|1,1,1]=3 9 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,0,0,0,0|1,1,1]=3 10 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,0,0,0,0,0|2,1,1]=4 35 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,0,0,0,0|1,1,1]=3 37 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,0,0,0,0|1,1,1]=3 38 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,0,0,0,0|2,0,0]=2 48 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,0,0,0,0|2,0,0]=2 49 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,0,0,0,0|1,1,0]=2 50 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,0,0,0,0|1,1,0]=2 51 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,0,0,0,0|1,1,0]=2 52 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,0,0,0,0|1,1,0]=2 53 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,0,0,0,0|1,1,0]=2 54 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,0,0,0,0|1,0,0]=1 56 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,0,0,0,0|1,0,0]=1 57 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,0,0,0,0|1,0,0]=1 58 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,0,0,0,0,0|4,0,0]=4 67 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [0,0,0,0,0,0|4,0,0]=4 68 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|3,0,0]=3 71 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,0,0,0,0,0|4,0,0]=4 72 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,0,0,0,0,0|4,0,0]=4 73 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,0,0,0,0|4,0,0]=4 74 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,0,0,0,0|4,0,0]=4 75 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,0,0,0,0|4,0,0]=4 76 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,0,0,0,0|2,1,0]=3 77 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,0,0,0,0|2,0,0]=2 78 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,0,0,0,0,0|2,0,1]=3 80 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,0,0,0,0|4,0,0]=4 81 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,0,0,0,0|4,0,0]=4 84 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,0,0,0,0|4,0,0]=4 85 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,0,0,0,0|4,0,0]=4 86 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [0,0,0,0,0,0|4,0,0]=4 88 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [0,0,0,0,0,0|4,0,0]=4 89 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,0,0,0,0,0|2,0,1]=3 91 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,0,0,0,0,0|2,0,1]=3 92 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,0,0,0,0|4,0,0]=4 95 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,0,0,0,0|4,0,0]=4 96 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,0,0,0,0|4,0,0]=4 97 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,0,0,0,0|4,0,0]=4 98 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,0,0,0,0,0|2,1,0]=3 99 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,0,0,0,0,0|2,1,0]=3 100 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,0,0,0,0,0|2,0,0]=2 101 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,0,0,0,0,0|2,0,0]=2 102 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,0,0,0,0,0|3,0,0]=3 103 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,0,0,0,0,0|3,0,0]=3 104 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,0,0,0,0,0|3,0,0]=3 105 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,0,0,0,0,0|2,1,0]=3 106 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,0,0,0,0,0|2,1,0]=3 107 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,0,0,0,0,0|2,1,0]=3 108 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,0,0,0,0,0|2,0,0]=2 109 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,0,0,0,0,0|2,0,0]=2 110 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,0,0,0,0,0|2,0,0]=2 111 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,0,0,0,0,0|2,0,0]=2 112 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,0,0,0,0,0|1,1,2]=4 113 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,0,0,0,0,0|1,1,2]=4 114 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,0,0,0,0,0|1,0,3]=4 115 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,0,0,0,0,0|1,0,3]=4 116 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,0,0,0,0,0|1,0,3]=4 117 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,0,0,0,0,0|1,0,3]=4 118 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,0,0,0,0|3,0,1]=4 119 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,0,0,0,0|3,0,1]=4 120 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,0,0,0,0|3,0,1]=4 121 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,0,0,0,0|3,0,1]=4 122 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,0,0,0,0|4,0,0]=4 123 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,0,0,0,0,0|1,0,3]=4 124 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,0,0,0,0,0|1,0,3]=4 125 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,0,0,0,0,0|1,0,3]=4 126 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,0,0,0,0,0|1,0,3]=4 127 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|2,0,1]=3 128 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|2,0,1]=3 129 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|2,0,1]=3 130 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|2,0,1]=3 131 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|2,0,1]=3 132 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|1,1,1]=3 133 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|1,1,1]=3 134 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|1,1,1]=3 135 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|1,1,1]=3 136 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|1,1,1]=3 137 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|1,0,1]=2 138 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|1,0,1]=2 139 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|1,0,1]=2 140 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|1,0,1]=2 141 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,0,0,0,0|3,0,1]=4 142 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,0,0,0,0|3,0,1]=4 143 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,0,0,0,0|3,0,1]=4 144 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,0,0,0,0|3,0,1]=4 145 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,0,0,0,0|3,0,1]=4 146 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,0,0,0,0|3,0,1]=4 147 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,0,0,0,0|3,0,1]=4 149 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,0,0,0,0|3,0,1]=4 152 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,0,0,0,0|3,0,1]=4 155 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,0,0,0,0|2,0,2]=4 156 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,0,0,0,0|2,0,2]=4 157 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|2,0,0]=2 158 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,0,0,0,0|3,0,1]=4 160 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,0,0,0,0|2,0,2]=4 163 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,0,0,0,0|2,0,1]=3 164 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|2,0,0]=2 167 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,0,0,0,0|3,0,1]=4 169 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,0,0,0,0|3,0,1]=4 171 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,0,0,0,0|2,0,2]=4 172 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,0,0,0,0|2,0,2]=4 173 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,0,0,0,0|2,1,1]=4 174 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,0,0,0,0|2,1,1]=4 175 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,0,0,0,0|2,0,1]=3 176 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,0,0,0,0|2,0,1]=3 177 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,0,0,0,0|3,0,1]=4 178 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,0,0,0,0|3,0,1]=4 181 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,0,0,0,0|2,0,2]=4 182 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,0,0,0,0|2,1,1]=4 183 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,0,0,0,0|2,1,1]=4 184 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,0,0,0,0|2,0,1]=3 185 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,0,0,0,0|2,0,1]=3 186 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,0,0,0,0|3,0,1]=4 187 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,0,0,0,0|3,0,1]=4 188 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,0,0,0,0|3,0,1]=4 189 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,0,0,0,0|3,0,1]=4 190 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,0,0,0,0|3,0,1]=4 191 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,0,0,0,0|2,0,2]=4 192 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,0,0,0,0|3,0,1]=4 193 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,0,0,0,0|3,0,1]=4 194 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,0,0,0,0|3,0,1]=4 195 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,0,0,0,0|3,0,1]=4 196 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,0,0,0,0|3,0,1]=4 198 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,0,0,0,0|3,0,1]=4 199 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,0,0,0,0|2,1,1]=4 200 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,0,0,0,0|2,1,1]=4 201 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,0,0,0,0|2,1,1]=4 202 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,0,0,0,0|2,1,1]=4 203 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,0,0,0,0|2,1,1]=4 204 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,0,0,0,0|4,0,0]=4 205 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,0,0,0,0|2,1,1]=4 206 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,0,0,0,0|2,1,1]=4 207 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,0,0,0,0|2,0,1]=3 208 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,0,0,0,0|2,0,1]=3 209 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,0,0,0,0|2,0,1]=3 210 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,0,0,0,0|2,0,1]=3 211 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,0,0,0,0|2,0,1]=3 212 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,0,0,0,0|2,0,1]=3 213 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,0,0,0,0|2,0,1]=3 214 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,0,0,0,0|3,0,1]=4 215 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,0,0,0,0|3,0,1]=4 216 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,0,0,0,0|3,0,1]=4 217 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,0,0,0,0|3,0,1]=4 218 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,0,0,0,0|2,0,2]=4 219 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,0,0,0,0|2,0,2]=4 220 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,0,0,0,0|3,0,1]=4 221 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,0,0,0,0|3,0,1]=4 222 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,0,0,0,0|3,0,1]=4 223 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,0,0,0,0|3,0,1]=4 224 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,0,0,0,0|3,0,1]=4 225 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,0,0,0,0|2,1,1]=4 226 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,0,0,0,0|2,1,1]=4 227 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,0,0,0,0|2,1,1]=4 228 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,0,0,0,0|2,1,1]=4 229 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,0,0,0,0|2,1,1]=4 230 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,0,0,0,0|2,1,1]=4 231 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,0,0,0,0|2,1,1]=4 232 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,0,0,0,0|2,0,1]=3 233 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,0,0,0,0|2,0,1]=3 234 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,0,0,0,0|2,0,1]=3 235 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,0,0,0,0|2,0,1]=3 236 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,0,0,0,0|2,0,1]=3 237 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,0,0,0,0|2,0,1]=3 238 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,0,0,0,0|2,0,1]=3 239 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,0,0,0,0|2,0,1]=3 240 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,0,0,0,0|1,0,0]=1 241 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,0,0,0,0|1,0,0]=1 242 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,0,0,0,0|2,0,1]=3 243 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,0,0,0,0|2,0,1]=3 244 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,0,0,0,0|2,0,1]=3 245 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,0,0,0,0|1,0,2]=3 246 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,0,0,0,0|1,0,2]=3 247 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,0,0,0,0|1,0,2]=3 248 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,0,0,0,0|1,0,2]=3 249 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,0,0,0,0|1,0,2]=3 250 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,0,0,0,0|2,1,0]=3 251 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,0,0,0,0|2,1,0]=3 252 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,0,0,0,0|2,1,0]=3 253 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,0,0,0,0|2,1,0]=3 254 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,0,0,0,0|2,1,0]=3 255 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,0,0,0,0|2,1,0]=3 256 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,0,0,0,0|2,0,0]=2 257 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,0,0,0,0|1,1,1]=3 258 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,0,0,0,0|1,1,1]=3 259 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,0,0,0,0|1,1,1]=3 260 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,0,0,0,0|1,1,1]=3 261 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,0,0,0,0|1,1,1]=3 262 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,0,0,0,0|1,1,1]=3 263 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,0,0,0,0|1,1,1]=3 264 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,0,0,0,0|1,1,1]=3 265 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,0,0,0,0|0,1,2]=3 266 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,0,0,0,0|2,1,0]=3 267 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,0,0,0,0|2,1,0]=3 268 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,0,0,0,0|2,1,0]=3 269 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,0,0,0,0|2,1,0]=3 270 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,0,0,0,0|2,0,0]=2 271 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,0,0,0,0|2,0,0]=2 272 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,0,0,0,0|2,0,0]=2 273 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,0,0,0,0|2,0,0]=2 274 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,0,0,0,0|2,0,0]=2 275 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,0,0,0,0|2,0,0]=2 276 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,0,0,0,0,0|2,1,1]=4 277 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,0,0,0,0,0|2,1,1]=4 278 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,0,0,0,0,0|2,1,1]=4 279 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,0,0,0,0|1,1,2]=4 280 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,0,0,0,0,0|2,1,1]=4 281 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,0,0,0,0,0|2,1,1]=4 282 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,0,0,0,0,0|1,1,0]=2 283 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,0,0,0,0,0|1,1,0]=2 284 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,0,0,0,0|2,1,1]=4 285 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,0,0,0,0|2,1,1]=4 286 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,0,0,0,0|1,1,2]=4 287 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,0,0,0,0|1,1,2]=4 288 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,0,0,0,0,0|3,1,0]=4 289 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,0,0,0,0,0|3,0,0]=3 290 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,0,0,0,0,0|3,0,0]=3 291 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,0,0,0,0,0|0,0,4]=4 292 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,0,0,0,0,0|0,0,4]=4 293 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,0,0,0,0|1,0,1]=2 294 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,0,0,0,0|1,0,1]=2 295 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,0,0,0,0|0,0,0]=0 296 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,0,0,0,0|0,0,0]=0 297 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,0,0,0,0|1,0,1]=2 298 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,0,0,0,0|1,0,1]=2 299 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,0,0,0,0|0,0,2]=2 300 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,0,0,0,0|0,0,2]=2 301 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,0,0,0,0|2,0,0]=2 302 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,0,0,0,0|2,0,0]=2 303 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,0,0,0,0|2,0,0]=2 304 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,0,0,0,0,0|2,0,1]=3 305 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,0,0,0,0,0|2,0,1]=3 306 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,0,0,0,0,0|2,0,1]=3 307 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,0,0,0,0,0|2,0,1]=3 308 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,0,0,0,0,0|2,0,1]=3 309 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,0,0,0,0,0|2,0,1]=3 310 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,0,0,0,0|2,0,1]=3 311 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,0,0,0,0|1,0,2]=3 312 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,0,0,0,0|1,0,2]=3 313 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,0,0,0,0|2,0,1]=3 314 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,0,0,0,0|2,0,1]=3 315 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,0,0,0,0,0|2,0,1]=3 316 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,0,0,0,0,0|2,0,1]=3 317 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,0,0,0,0,0|1,0,0]=1 318 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,0,0,0,0,0|1,0,0]=1 319 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,0,0,0,0|2,0,1]=3 320 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,0,0,0,0|2,0,1]=3 321 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,0,0,0,0|1,0,2]=3 322 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,0,0,0,0|1,0,2]=3 323 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,0,0,0,0,0|3,0,0]=3 324 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,0,0,0,0,0|3,0,0]=3 325 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,0,0,0,0,0|3,0,0]=3 326 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,0,0,0,0|3,0,0]=3 327 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,0,0,0,0|3,0,0]=3 328 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,0,0,0,0|3,0,0]=3 329 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,0,0,0,0|3,0,0]=3 330 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,0,0,0,0|3,0,0]=3 331 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,0,0,0,0,0|3,0,0]=3 332 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,0,0,0,0|3,0,0]=3 333 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,0,0,0,0|3,0,0]=3 334 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,0,0,0,0|3,0,0]=3 335 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,0,0,0,0|3,0,0]=3 336 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,0,0,0,0|1,0,2]=3 337 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,0,0,0,0|1,0,2]=3 338 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,0,0,0,0|1,1,1]=3 339 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,0,0,0,0|1,1,1]=3 340 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,0,0,0,0|1,1,1]=3 341 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,0,0,0,0|1,1,1]=3 342 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,0,0,0,0|1,1,1]=3 343 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,0,0,0,0|1,1,1]=3 344 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,0,0,0,0|1,1,1]=3 345 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,0,0,0,0,0|0,0,4]=4 346 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,0,0,0,0,0|0,0,4]=4 347 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,0,0,0,0|1,0,1]=2 348 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,0,0,0,0|1,0,1]=2 349 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,0,0,0,0|0,0,0]=0 350 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,0,0,0,0|0,0,0]=0 351 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,0,0,0,0|1,0,1]=2 352 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,0,0,0,0|1,0,1]=2 353 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,0,0,0,0|0,0,2]=2 354 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,0,0,0,0|0,0,2]=2 355 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,0,0,0,0,0|2,0,1]=3 356 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,0,0,0,0,0|2,0,1]=3 357 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|1,0,2]=4 358 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|1,0,2]=4 359 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|1,0,2]=4 360 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|1,0,2]=4 361 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|1,0,2]=4 362 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|0,1,2]=4 363 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|0,1,2]=4 364 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|0,1,2]=4 365 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|0,0,2]=3 366 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|0,0,2]=3 367 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|0,0,2]=3 368 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|0,0,2]=3 369 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|2,0,1]=4 370 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|2,0,1]=4 371 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|2,0,1]=4 372 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|2,0,1]=4 373 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|2,0,1]=4 374 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 375 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 376 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|1,1,1]=4 377 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|1,1,1]=4 378 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|1,1,1]=4 379 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|1,0,1]=3 380 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|1,0,1]=3 381 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|1,0,1]=3 382 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|1,0,1]=3 383 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|1,0,1]=3 384 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|1,0,1]=3 385 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|1,0,1]=3 386 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|1,0,1]=3 387 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|1,0,1]=3 388 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|0,1,1]=3 389 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|0,1,1]=3 390 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|0,1,1]=3 391 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|0,0,1]=2 392 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|0,0,1]=2 393 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|0,0,1]=2 394 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|0,0,1]=2 395 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,0]=3 396 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,0]=3 397 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,0]=3 398 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,0]=3 399 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,0,0,0,0|3,0,0]=4 400 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,0]=3 401 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,0]=3 402 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|3,0,0]=4 403 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|3,0,0]=4 404 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,0,0,0,0,0|0,0,3]=4 405 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,0,0,0,0,0|0,0,3]=4 406 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,0,0,0,0,0|0,0,3]=4 407 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,0,0,0,0,0|0,0,3]=4 408 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 410 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|1,1,1]=4 412 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|1,0,1]=3 413 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|1,0,1]=3 414 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|1,0,1]=3 415 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|1,0,1]=3 416 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 417 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|1,0,1]=3 418 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|1,0,1]=3 419 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|1,0,1]=3 420 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|1,0,1]=3 421 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|1,0,1]=3 422 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|1,0,1]=3 423 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|1,0,1]=3 424 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|0,1,1]=3 425 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|0,1,1]=3 426 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|0,1,1]=3 427 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|0,1,1]=3 428 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|0,1,1]=3 429 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|0,0,1]=2 430 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|0,0,1]=2 431 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|0,0,1]=2 432 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|0,0,1]=2 433 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|2,0,1]=4 434 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,1]=4 436 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,1]=4 437 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,1]=4 438 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,1]=4 439 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,1]=4 440 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,1]=4 441 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 442 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,0]=2 443 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,1]=4 444 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,1]=4 445 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|1,0,2]=4 446 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|1,0,2]=4 447 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|1,0,2]=4 448 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|1,1,1]=4 449 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|1,0,1]=3 450 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,0]=2 451 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,1]=4 452 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,1]=4 453 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,2]=4 455 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|1,0,1]=3 456 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|1,0,1]=3 457 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|1,0,1]=3 458 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|1,0,1]=3 459 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|1,0,1]=3 460 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 461 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 462 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,0]=2 463 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,0]=2 464 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,1]=4 465 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,1]=4 466 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,0,2]=4 467 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,0,2]=4 468 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|1,1,1]=4 469 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|1,1,1]=4 470 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|1,0,1]=3 471 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|1,0,1]=3 472 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|2,0,1]=4 473 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,0,0]=3 475 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,0,0]=3 476 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,0,0]=3 477 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,0,0]=3 478 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,0,0]=3 479 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|1,0,1]=3 480 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|1,0,1]=3 481 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|1,0,1]=3 482 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|1,1,1]=4 483 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|1,1,1]=4 484 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|1,1,1]=4 485 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|1,1,1]=4 486 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|1,0,1]=3 487 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|1,0,1]=3 488 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|1,0,1]=3 489 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|1,0,1]=3 490 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|1,1,0]=3 491 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|1,1,0]=3 492 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|1,1,0]=3 493 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|1,1,0]=3 494 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|1,1,0]=3 495 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|0,1,1]=3 496 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|1,1,1]=4 497 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|1,1,1]=4 498 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|1,1,1]=4 499 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|2,1,0]=4 500 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|1,1,1]=4 501 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|1,0,1]=3 502 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|1,0,1]=3 503 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|1,0,1]=3 504 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|1,0,1]=3 505 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|1,0,1]=3 506 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|1,0,1]=3 507 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|1,0,1]=3 508 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,0,0,0,0,0|2,1,0]=4 509 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,0,0,0,0,0|2,1,0]=4 510 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|1,0,1]=3 511 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|1,0,1]=3 512 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|1,0,0]=2 513 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|1,0,0]=2 514 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|0,0,1]=2 515 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|0,0,1]=2 516 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|1,0,1]=3 517 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|1,0,1]=3 518 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|1,0,1]=3 519 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|1,0,1]=3 520 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|1,0,1]=3 521 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|1,0,1]=3 522 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|1,0,1]=3 523 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [1,0,0,0,0,0|2,0,1]=4 524 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [1,0,0,0,0,0|2,0,1]=4 525 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,0,0,0,0,0|2,0,0]=3 526 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,0,0,0,0,0|2,0,0]=3 527 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,0]=3 528 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,0]=3 529 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,0,0]=3 530 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,0,0]=3 531 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|1,1,0]=3 532 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|1,1,0]=3 533 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|1,1,0]=3 534 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|1,1,0]=3 535 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|2,1,0]=4 536 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|1,0,1]=3 537 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|1,0,1]=3 538 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|1,0,0]=2 539 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|1,0,0]=2 540 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|0,0,1]=2 541 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|0,0,1]=2 542 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [1,0,0,0,0,0|2,0,1]=4 543 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,1,0,0,0,0|2,0,1]=4 545 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,1,0,0,0,0|2,0,1]=4 548 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,1,0,0,0,0|2,0,1]=4 549 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,1,0,0,0,0|2,0,1]=4 550 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,1,0,0,0,0|2,0,1]=4 551 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,0,0,0,0|1,1,1]=4 552 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,0,0,0,0|1,1,1]=4 553 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,0,0,0,0|1,1,1]=4 554 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,0,0,0,0|1,1,1]=4 555 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,0,0,0,0|1,1,1]=4 556 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,1,0,0,0,0|1,0,1]=3 557 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,1,0,0,0,0|1,0,1]=3 558 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,1,0,0,0,0|1,0,1]=3 559 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,1,0,0,0,0|1,0,1]=3 560 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.1 C#CCCCNCF 34a_100000718082_100015361967 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,1,0,0,0,0|1,1,1]=4 564 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,1,0,0,0,0|1,1,1]=4 565 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,1,0,0,0,0|1,1,1]=4 566 B7R0.1 C#CCCCOCF 34a_100000215630_100015361967 [0,1,0,0,0,0|1,1,1]=4 567 B7R0.1 C#CCCCOCF 7a_100000215630_100015361967 [0,1,0,0,0,0|1,1,1]=4 568 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,1,0,0,0,0|1,0,1]=3 569 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,1,0,0,0,0|1,0,1]=3 570 B7R0.1 C#CCCCSCF 62a_100011215417_100015361967 [0,1,0,0,0,0|1,0,1]=3 571 B7R0.1 C#CCCCSCF 62a_100015361967_100011215417 [0,1,0,0,0,0|1,0,1]=3 572 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,1,0,0,0,0|2,0,1]=4 573 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,1,0,0,0,0|2,0,1]=4 574 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,1,0,0,0,0|1,0,1]=3 575 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,1,0,0,0,0|1,0,1]=3 577 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,1,0,0,0,0|1,0,1]=3 580 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,1,0,0,0,0|1,0,1]=3 583 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [0,1,0,0,0,0|2,0,1]=4 584 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,1,0,0,0,0|1,0,1]=3 586 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,1,0,0,0,0|1,0,1]=3 587 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,1,0,0,0,0|1,1,1]=4 590 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,1,0,0,0,0|1,1,1]=4 591 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,1,0,0,0,0|1,0,1]=3 592 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,1,0,0,0,0|1,0,1]=3 593 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [0,1,0,0,0,0|1,1,1]=4 599 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [0,1,0,0,0,0|1,1,1]=4 600 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,1,0,0,0,0|1,0,1]=3 601 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,1,0,0,0,0|1,0,1]=3 602 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,1,0,0,0,0|2,0,1]=4 603 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,1,0,0,0,0|2,0,1]=4 604 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,1,0,0,0,0|2,0,1]=4 606 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.1 C#CCOCCNC 2230a_100000700922_200000210301 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.1 C#CCOCCNC 2230a_106832991635_100010402529 [0,1,0,0,0,0|2,0,1]=4 609 B7R0.1 C#CCOCCNC 34a_100000700922_200000210301 [0,1,0,0,0,0|2,0,1]=4 610 B7R0.1 C#CCOCCNC 34a_100102657272_100010402529 [0,1,0,0,0,0|2,0,1]=4 611 B7R0.1 C#CCOCCNC 7a_106832991635_100010402529 [0,1,0,0,0,0|2,0,1]=4 612 B7R0.1 C#CCOCCN[13CH3] 2230a_100000700922_200025704644 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.1 C#CCOCCN[13CH3] 34a_100000700922_200025704644 [0,1,0,0,0,0|2,0,1]=4 614 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [0,1,0,0,0,0|1,1,1]=4 615 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [0,1,0,0,0,0|1,1,1]=4 616 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [0,1,0,0,0,0|1,1,1]=4 617 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [0,1,0,0,0,0|1,1,1]=4 618 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [0,1,0,0,0,0|1,1,1]=4 619 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [0,1,0,0,0,0|1,1,1]=4 620 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [0,1,0,0,0,0|1,1,1]=4 621 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [0,1,0,0,0,0|1,0,1]=3 622 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [0,1,0,0,0,0|1,0,1]=3 623 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [0,1,0,0,0,0|1,0,1]=3 624 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [0,1,0,0,0,0|1,0,1]=3 625 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [0,1,0,0,0,0|1,0,1]=3 626 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [0,1,0,0,0,0|1,0,1]=3 627 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [0,1,0,0,0,0|1,0,1]=3 628 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [0,1,0,0,0,0|2,0,1]=4 629 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,1,0,0,0,0|2,0,1]=4 630 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,1,0,0,0,0|1,1,1]=4 631 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,1,0,0,0,0|1,0,1]=3 632 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,1,0,0,0,0|1,1,1]=4 633 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [0,1,0,0,0,0|1,1,1]=4 634 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,1,0,0,0,0|1,0,1]=3 635 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,0,0,0,0|2,0,1]=4 636 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,0,0,0,0|2,0,1]=4 637 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,1,0,0,0,0|1,0,1]=3 638 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,1,0,0,0,0|1,0,1]=3 639 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,1,0,0,0,0|1,0,1]=3 640 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,0,0,0,0|2,0,1]=4 641 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,0,0,0,0|2,0,1]=4 642 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,1,0,0,0,0|1,1,1]=4 643 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,1,0,0,0,0|1,1,1]=4 644 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,1,0,0,0,0|1,0,1]=3 645 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,1,0,0,0,0|1,0,1]=3 646 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,0,0,0,0|2,0,0]=3 649 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,0,0,0,0|2,0,0]=3 650 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,0,0,0,0|2,0,0]=3 651 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,0,0,0,0|1,1,0]=3 654 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,0,0,0,0|1,1,0]=3 655 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,0,0,0,0|1,1,0]=3 656 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,0,0,0,0|1,1,0]=3 657 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,0,0,0,0|1,1,0]=3 658 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,0,0,0,0|1,0,0]=2 659 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,0,0,0,0|1,0,0]=2 660 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,0,0,0,0|1,0,0]=2 661 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,0,0,0,0|1,0,0]=2 662 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,0,0,0,0|2,0,0]=3 664 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,0,0,0,0|2,0,0]=3 665 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,0,0,0,0|1,1,0]=3 667 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,0,0,0,0|1,1,0]=3 668 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,0,0,0,0|1,1,0]=3 669 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,1,0,0,0,0|1,1,0]=3 670 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,1,0,0,0,0|1,1,0]=3 671 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,0,0,0,0|1,0,0]=2 672 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,0,0,0,0|1,0,0]=2 673 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,1,0,0,0,0|1,0,0]=2 674 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,1,0,0,0,0|1,0,0]=2 675 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,1,0,0,0,0|2,0,1]=4 677 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,1,0,0,0,0|2,0,1]=4 678 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,1,0,0,0,0|1,0,1]=3 679 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,0,0,0,0|3,0,0]=4 681 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,0,0,0,0|3,0,0]=4 682 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,0,0,0,0|3,0,0]=4 684 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,0,0,0,0|1,1,0]=3 686 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,0,0,0,0|1,0,0]=2 687 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,1,0,0,0,0|2,0,1]=4 688 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,0,0,0,0|1,0,1]=3 690 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,0,0,0,0|3,0,0]=4 691 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,0,0,0,0|2,0,0]=3 692 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,0,0,0,0|2,0,0]=3 693 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,0,0,0,0|3,0,0]=4 694 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,0,0,0,0|3,0,0]=4 695 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,0,0,0,0|3,0,0]=4 696 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,0,0,0,0|1,0,0]=2 697 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [0,1,0,0,0,0|2,0,1]=4 701 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,1,0,0,0,0|1,0,1]=3 702 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,1,0,0,0,0|1,0,1]=3 703 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|2,0,0]=3 704 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|2,0,0]=3 705 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,0,0,0,0|3,0,0]=4 706 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,0,0,0,0|3,0,0]=4 707 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,0,0,0,0|3,0,0]=4 708 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,0,0,0,0|3,0,0]=4 709 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,1,0,0,0,0|1,1,0]=3 710 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,1,0,0,0,0|1,1,0]=3 711 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,1,0,0,0,0|1,0,0]=2 712 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,1,0,0,0,0|1,0,0]=2 713 B7R0.1 C=CCNCC#CC 2230a_100000685387_100000210623 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.1 C=CCNCC#CC 2230a_100020586998_100000748600 [0,1,0,0,0,0|2,0,1]=4 715 B7R0.1 C=CCNCC#CC 34a_100000685387_100015514636 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,1,0,0,0,0|3,0,0]=4 718 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,0,0,0,0|2,0,0]=3 719 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,0,0,0,0|2,0,0]=3 720 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,0,0,0,0|2,0,0]=3 721 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,0,0,0,0|3,0,0]=4 722 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,0,0,0,0|3,0,0]=4 723 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,0,0,0,0|3,0,0]=4 724 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,0,0,0,0|3,0,0]=4 725 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,0,0,0,0|1,1,0]=3 726 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,0,0,0,0|1,1,0]=3 727 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,0,0,0,0|1,0,0]=2 728 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,0,0,0,0|1,0,0]=2 729 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,1,0,0,0,0|2,0,1]=4 730 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,1,0,0,0,0|2,0,1]=4 731 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [0,1,0,0,0,0|2,0,1]=4 732 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [0,1,0,0,0,0|2,0,1]=4 733 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,1,0,0,0,0|2,0,1]=4 734 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,0,0,0,0|2,0,0]=3 736 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,0,0,0,0|2,0,0]=3 737 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,0,0,0,0|2,0,0]=3 738 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,0,0,0,0|3,0,0]=4 739 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,1,0,0,0,0|3,0,0]=4 740 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,1,0,0,0,0|3,0,0]=4 741 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,0,0,0,0|3,0,0]=4 742 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,0,0,0,0|3,0,0]=4 743 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,0,0,0,0|1,1,0]=3 744 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,0,0,0,0|1,1,0]=3 745 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,0,0,0,0|1,1,0]=3 746 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,0,0,0,0|1,1,0]=3 747 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,1,0,0,0,0|2,1,0]=4 748 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,0,0,0,0|1,1,0]=3 749 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,0,0,0,0|1,1,0]=3 750 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,0,0,0,0|1,0,0]=2 751 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,0,0,0,0|1,0,0]=2 752 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,0,0,0,0|1,0,0]=2 753 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,1,0,0,0,0|2,0,1]=4 754 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,1,0,0,0,0|2,0,1]=4 755 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [0,1,0,0,0,0|2,0,1]=4 756 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [0,1,0,0,0,0|2,0,1]=4 757 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,1,0,0,0,0|2,0,1]=4 758 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,1,0,0,0,0|2,0,1]=4 759 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [0,1,0,0,0,0|3,0,0]=4 760 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [0,1,0,0,0,0|3,0,0]=4 761 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,0,0,0,0|2,0,0]=3 762 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,0,0,0,0|2,0,0]=3 763 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,1,0,0,0,0|3,0,0]=4 764 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,1,0,0,0,0|3,0,0]=4 765 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,0,0,0,0|3,0,0]=4 766 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,0,0,0,0|3,0,0]=4 767 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,1,0,0,0,0|1,1,0]=3 768 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,1,0,0,0,0|1,1,0]=3 769 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,1,0,0,0,0|1,0,0]=2 770 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,1,0,0,0,0|1,0,0]=2 771 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,1,0,0,0,0|2,1,0]=4 772 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,1,0,0,0,0|2,1,0]=4 773 B7R0.1 C=CCSCSC#N 62a_100000210623_100000211825 [0,1,0,0,0,0|2,0,1]=4 774 B7R0.1 C=CCSCSC#N 62a_100000211825_100000210623 [0,1,0,0,0,0|2,0,1]=4 775 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,1,0,0,0,0|2,0,0]=3 776 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,1,0,0,0,0|2,0,0]=3 777 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,1,0,0,0,0|2,0,0]=3 778 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,1,0,0,0,0|2,0,0]=3 779 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,0,0,0,0|3,0,0]=4 780 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,1,0,0,0,0|2,1,0]=4 781 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,1,0,0,0,0|2,1,0]=4 782 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [0,1,0,0,0,0|2,1,0]=4 783 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,1,0,0,0,0|2,0,0]=3 784 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,1,0,0,0,0|2,0,0]=3 785 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [0,1,0,0,0,0|2,0,0]=3 786 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [0,1,0,0,0,0|2,0,0]=3 787 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [0,1,0,0,0,0|1,0,1]=3 788 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [0,1,0,0,0,0|1,0,1]=3 789 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [0,1,0,0,0,0|1,0,2]=4 790 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [0,1,0,0,0,0|1,0,2]=4 791 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,1,0,0,0,0|1,0,1]=3 792 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [0,1,0,0,0,0|1,0,2]=4 793 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,1,0,0,0,0|1,0,1]=3 794 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,1,0,0,0,0|1,0,1]=3 795 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [0,1,0,0,0,0|1,0,2]=4 796 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [0,1,0,0,0,0|1,0,2]=4 797 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,1,0,0,0,0|2,0,1]=4 798 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,0,0,0,0|1,1,1]=4 801 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,0,0,0,0|1,1,1]=4 802 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,0,0,0,0|1,1,1]=4 803 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,0,0,0,0|1,1,1]=4 804 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,0,0,0,0|1,1,1]=4 805 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,1,0,0,0,0|1,0,1]=3 806 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,1,0,0,0,0|1,0,1]=3 807 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,1,0,0,0,0|1,0,1]=3 808 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,1,0,0,0,0|1,0,1]=3 809 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,1,0,0,0,0|1,1,1]=4 810 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,1,0,0,0,0|1,1,1]=4 811 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,0,0,0,0|1,1,0]=3 812 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,0,0,0,0|1,1,0]=3 813 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,0,0,0,0|2,0,1]=4 814 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,1,0,0,0,0|1,0,1]=3 815 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,1,0,0,0,0|1,0,1]=3 816 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,0,0,0,0|2,0,1]=4 818 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,1,0,0,0,0|1,1,1]=4 819 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,1,0,0,0,0|1,1,1]=4 820 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,1,0,0,0,0|1,0,1]=3 821 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,1,0,0,0,0|1,0,1]=3 822 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,1,0,0,0,0|3,0,0]=4 823 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,0,0,0,0|2,0,1]=4 824 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,0,0,0,0|2,0,1]=4 825 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,0,0,0,0|2,0,1]=4 826 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,0,0,0,0|2,0,1]=4 827 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,0,0,0,0|2,0,1]=4 828 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,0,0,0,0|1,0,2]=4 829 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,0,0,0,0|1,0,2]=4 830 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,0,0,0,0|1,0,2]=4 831 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,0,0,0,0|1,0,2]=4 832 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,0,0,0,0|1,0,2]=4 833 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,0,0,0,0|1,0,1]=3 834 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,0,0,0,0|1,0,1]=3 835 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,0,0,0,0|1,0,1]=3 836 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,0,0,0,0|1,0,1]=3 837 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,0,0,0,0|1,1,1]=4 840 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,0,0,0,0|1,1,1]=4 841 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,0,0,0,0|1,1,1]=4 842 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,0,0,0,0|1,1,1]=4 843 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,0,0,0,0|1,1,1]=4 844 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,0,0,0,0|1,0,1]=3 845 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,0,0,0,0|1,0,1]=3 846 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,0,0,0,0|1,0,1]=3 847 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,0,0,0,0|1,0,1]=3 848 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,0,0,0,0|2,0,1]=4 849 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,0,0,0,0|2,0,1]=4 850 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,0,0,0,0|1,0,0]=2 851 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,0,0,0,0|1,0,0]=2 852 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,0,0,0,0|2,0,1]=4 853 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,0,0,0,0|2,0,1]=4 854 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,0,0,0,0|2,0,1]=4 855 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,0,0,0,0|2,0,1]=4 856 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,0,0,0,0|1,0,2]=4 858 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,0,0,0,0|1,0,2]=4 859 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,0,0,0,0|1,0,2]=4 860 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,0,0,0,0|1,0,2]=4 861 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,0,0,0,0|1,1,1]=4 862 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,0,0,0,0|1,0,1]=3 863 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,1,0,0,0,0|2,0,1]=4 864 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,0,0,0,0|1,0,0]=2 865 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,0,0,0,0|1,0,0]=2 866 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,0,0,0,0|2,0,1]=4 869 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,0,0,0,0|2,0,1]=4 870 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,0,0,0,0|2,0,1]=4 871 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,0,0,0,0|2,0,1]=4 872 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,0,0,0,0|1,0,2]=4 874 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,0,0,0,0|1,0,2]=4 875 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,0,0,0,0|2,0,1]=4 876 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,0,0,0,0|2,0,1]=4 877 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,0,0,0,0|1,1,1]=4 878 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,0,0,0,0|1,0,1]=3 879 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,0,0,0,0|1,0,1]=3 880 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,0,0,0,0|1,0,1]=3 881 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,0,0,0,0|1,0,1]=3 882 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,0,0,0,0|1,0,1]=3 883 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,0,0,0,0|1,0,0]=2 886 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,0,0,0,0|1,0,0]=2 887 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,0,0,0,0|2,0,1]=4 888 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,0,0,0,0|2,0,1]=4 890 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,0,0,0,0|1,0,2]=4 892 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,0,0,0,0|1,0,2]=4 893 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,0,0,0,0|1,1,1]=4 894 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,0,0,0,0|1,1,1]=4 895 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,1,0,0,0,0|1,0,1]=3 896 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,1,0,0,0,0|1,0,1]=3 897 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,0,0,0,0|2,0,1]=4 899 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,0,0,0,0|1,1,1]=4 900 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,0,0,0,0|1,0,1]=3 901 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,0,0,0,0|2,0,1]=4 902 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,0,0,0,0|2,0,1]=4 903 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,0,0,0,0|2,0,1]=4 904 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,0,0,0,0|2,0,1]=4 905 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,0,0,0,0|2,0,1]=4 906 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,0,0,0,0|1,0,2]=4 907 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,0,0,0,0|2,0,1]=4 908 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,0,0,0,0|2,0,1]=4 909 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,0,0,0,0|2,0,1]=4 910 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,0,0,0,0|2,0,1]=4 911 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,0,0,0,0|2,0,1]=4 913 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,0,0,0,0|1,1,1]=4 915 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,0,0,0,0|1,1,1]=4 916 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,0,0,0,0|1,1,1]=4 917 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,0,0,0,0|1,1,1]=4 918 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,0,0,0,0|1,1,1]=4 919 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,0,0,0,0|3,0,0]=4 920 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,0,0,0,0|1,1,1]=4 921 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,0,0,0,0|1,1,1]=4 922 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,0,0,0,0|1,0,1]=3 923 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,0,0,0,0|1,0,1]=3 924 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,0,0,0,0|1,0,1]=3 925 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,0,0,0,0|1,0,1]=3 926 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,0,0,0,0|1,0,1]=3 927 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,0,0,0,0|1,0,1]=3 928 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,0,0,0,0|1,0,1]=3 929 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,0,0,0,0|2,0,1]=4 932 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,0,0,0,0|2,0,1]=4 933 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,0,0,0,0|1,0,2]=4 934 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,0,0,0,0|1,0,2]=4 935 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,0,0,0,0|2,0,1]=4 936 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,0,0,0,0|2,0,1]=4 937 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,0,0,0,0|1,1,1]=4 938 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,0,0,0,0|1,1,1]=4 939 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,0,0,0,0|1,1,1]=4 940 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,0,0,0,0|1,1,1]=4 941 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,0,0,0,0|1,1,1]=4 942 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,0,0,0,0|1,1,1]=4 943 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,0,0,0,0|1,0,1]=3 944 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,0,0,0,0|1,0,1]=3 945 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,1,0,0,0,0|2,0,1]=4 946 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,0,0,0,0|1,0,0]=2 947 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,0,0,0,0|2,0,1]=4 948 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,0,0,0,0|1,0,2]=4 949 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,0,0,0,0|1,0,2]=4 950 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,0,0,0,0|1,0,2]=4 951 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,0,0,0,0|1,1,1]=4 952 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,0,0,0,0|1,1,1]=4 953 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,1,0,0,0,0|1,0,1]=3 954 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,1,0,0,0,0|2,0,1]=4 955 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,1,0,0,0,0|2,0,1]=4 956 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,0,0,0,0|1,1,1]=4 957 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,0,0,0,0|1,1,1]=4 958 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,0,0,0,0|1,1,1]=4 959 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,0,0,0,0|1,1,1]=4 960 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,0,0,0,0|1,1,1]=4 961 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,0,0,0,0|1,1,1]=4 962 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,0,0,0,0|1,1,1]=4 963 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,0,0,0,0|1,1,1]=4 964 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,0,0,0,0|0,1,2]=4 965 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,0,0,0,0|2,0,1]=4 966 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,0,0,0,0|2,0,1]=4 967 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,0,0,0,0|2,0,1]=4 968 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,0,0,0,0|2,0,1]=4 969 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,0,0,0,0|2,0,1]=4 970 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,0,0,0,0|2,0,1]=4 971 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,0,0,0,0|2,0,1]=4 972 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,0,0,0,0|2,0,1]=4 973 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,0,0,0,0|1,1,1]=4 974 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,0,0,0,0|1,1,1]=4 975 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,0,0,0,0|1,1,1]=4 976 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,0,0,0,0|1,1,1]=4 977 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,0,0,0,0|1,1,1]=4 978 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,0,0,0,0|1,1,1]=4 979 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,0,0,0,0|1,1,1]=4 980 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,0,0,0,0|1,0,1]=3 981 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,0,0,0,0|1,0,1]=3 982 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,0,0,0,0|1,0,1]=3 983 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,0,0,0,0|1,0,1]=3 984 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,0,0,0,0|1,0,1]=3 985 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,0,0,0,0|1,0,1]=3 986 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,1,0,0,0,0|2,0,1]=4 987 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,1,0,0,0,0|2,0,1]=4 988 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,1,0,0,0,0|2,0,1]=4 989 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,1,0,0,0,0|2,0,1]=4 990 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,1,0,0,0,0|2,0,1]=4 991 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,1,0,0,0,0|2,0,1]=4 992 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,1,0,0,0,0|1,1,0]=3 994 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,1,0,0,0,0|1,1,0]=3 995 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,1,0,0,0,0|2,0,1]=4 996 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,1,0,0,0,0|2,0,1]=4 997 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,1,0,0,0,0|1,0,1]=3 998 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,1,0,0,0,0|1,0,1]=3 999 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,0,0,0,0|0,0,0]=1 1000 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,0,0,0,0|0,0,0]=1 1001 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,0,0,0,0|1,0,1]=3 1002 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,0,0,0,0|1,0,1]=3 1003 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,0,0,0,0|0,0,2]=3 1004 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,0,0,0,0|0,0,2]=3 1005 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,0,0,0,0|2,0,0]=3 1006 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,0,0,0,0|2,0,0]=3 1007 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,0,0,0,0|2,0,0]=3 1008 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,0,0,0,0|2,0,0]=3 1009 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,0,0,0,0|2,0,0]=3 1010 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,0,0,0,0|2,0,0]=3 1011 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,1,0,0,0,0|2,0,1]=4 1012 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,1,0,0,0,0|2,0,1]=4 1013 B7R0.1 CCSCCSC#N 62a_100000034367_100000210202 [0,1,0,0,0,0|2,0,1]=4 1014 B7R0.1 CCSCCSC#N 62a_100000210202_100000034367 [0,1,0,0,0,0|2,0,1]=4 1015 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,1,0,0,0,0|2,0,1]=4 1016 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,1,0,0,0,0|2,0,1]=4 1017 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,1,0,0,0,0|2,0,1]=4 1018 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,1,0,0,0,0|2,0,1]=4 1019 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,1,0,0,0,0|2,0,1]=4 1020 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,1,0,0,0,0|2,0,1]=4 1021 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,0,0,0,0|1,0,0]=2 1022 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,0,0,0,0|1,0,0]=2 1023 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,0,0,0,0|2,0,1]=4 1024 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,0,0,0,0|2,0,1]=4 1025 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,0,0,0,0|2,0,1]=4 1026 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,0,0,0,0|1,0,2]=4 1027 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,0,0,0,0|1,0,2]=4 1028 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,0,0,0,0|1,0,2]=4 1029 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,0,0,0,0|1,0,2]=4 1030 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,0,0,0,0|1,0,2]=4 1031 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,0,0,0,0|1,0,2]=4 1032 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,0,0,0,0|1,0,2]=4 1033 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,0,0,0,0|1,0,2]=4 1034 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [0,1,0,0,0,0|3,0,0]=4 1035 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,1,0,0,0,0|2,0,1]=4 1036 B7R0.1 CNCCOCC#N 2230a_106832991635_200000047693 [0,1,0,0,0,0|2,0,1]=4 1037 B7R0.1 CNCCOCC#N 7a_106832991635_200000047693 [0,1,0,0,0,0|2,0,1]=4 1038 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,0,0,0,0|1,0,2]=4 1039 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,0,0,0,0|1,0,2]=4 1040 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,0,0,0,0|1,0,2]=4 1041 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,0,0,0,0|1,0,2]=4 1042 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,0,0,0,0|1,0,2]=4 1043 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,0,0,0,0|1,0,2]=4 1044 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,0,0,0,0|2,1,0]=4 1045 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,0,0,0,0|1,1,1]=4 1046 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,0,0,0,0|1,1,1]=4 1047 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,0,0,0,0|1,1,1]=4 1048 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,0,0,0,0|1,1,1]=4 1049 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,0,0,0,0|1,1,1]=4 1050 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,0,0,0,0|1,1,1]=4 1051 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,0,0,0,0|1,1,1]=4 1052 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,0,0,0,0|1,1,1]=4 1053 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,0,0,0,0|0,1,2]=4 1054 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,0,0,0,0|0,1,2]=4 1055 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,0,0,0,0|0,1,2]=4 1056 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,0,0,0,0|0,1,2]=4 1057 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,0,0,0,0|0,0,2]=3 1058 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,0,0,0,0|0,0,2]=3 1059 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,0,0,0,0|0,0,2]=3 1060 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,0,0,0,0|0,0,2]=3 1061 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,0,0,0,0|0,0,2]=3 1062 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,0,0,0,0|0,0,2]=3 1063 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,0,0,0,0|1,1,1]=4 1064 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,0,0,0,0|1,1,1]=4 1065 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,0,0,0,0|2,0,0]=3 1066 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,0,0,0,0|2,0,0]=3 1067 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [0,1,0,0,0,0|1,1,1]=4 1068 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,0,0,0,0|0,1,0]=2 1069 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,1,0,0,0,0|1,1,1]=4 1070 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,1,0,0,0,0|1,1,1]=4 1071 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,1,0,0,0,0|0,1,2]=4 1072 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,1,0,0,0,0|0,1,2]=4 1073 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,1,0,0,0,0|0,1,2]=4 1074 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,0,0,0,0|2,1,0]=4 1075 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,0,0,0,0|2,0,0]=3 1076 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,0,0,0,0|0,1,0]=2 1077 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,0,0,0,0|1,1,1]=4 1078 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,0,0,0,0|1,1,1]=4 1079 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,0,0,0,0|1,1,1]=4 1080 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,0,0,0,0|1,1,1]=4 1081 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,0,0,0,0|1,1,1]=4 1082 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,0,0,0,0|1,1,1]=4 1083 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,0,0,0,0|1,1,1]=4 1084 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,0,0,0,0|1,1,1]=4 1085 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,0,0,0,0|1,1,1]=4 1086 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,0,0,0,0|1,1,1]=4 1087 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,0,0,0,0|1,1,1]=4 1088 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,0,0,0,0|1,1,1]=4 1089 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,0,0,0,0|0,1,2]=4 1090 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,0,0,0,0|0,1,2]=4 1091 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,0,0,0,0|2,0,0]=3 1092 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,0,0,0,0|2,0,0]=3 1093 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,0,0,0,0|2,0,0]=3 1094 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,0,0,0,0|2,0,0]=3 1095 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,0,0,0,0|2,0,0]=3 1096 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,1,0,0,0,0|1,1,1]=4 1097 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,1,0,0,0,0|1,1,1]=4 1098 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,0,0,0,0|0,1,0]=2 1099 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,0,0,0,0|0,1,0]=2 1100 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,0,0,0,0|1,1,1]=4 1101 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,0,0,0,0|1,1,1]=4 1102 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,0,0,0,0|0,1,2]=4 1103 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,0,0,0,0|0,1,2]=4 1104 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,1,0,0,0,0|2,1,0]=4 1105 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,1,0,0,0,0|2,1,0]=4 1106 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,1,0,0,0,0|2,0,0]=3 1107 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,1,0,0,0,0|2,0,0]=3 1108 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,0,0,0,0|1,1,1]=4 1109 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,1,0,0,0,0|2,0,0]=3 1110 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,1,0,0,0,0|1,1,1]=4 1111 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,1,0,0,0,0|1,1,1]=4 1112 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,1,0,0,0,0|1,1,1]=4 1113 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,1,0,0,0,0|1,1,1]=4 1114 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,1,0,0,0,0|0,1,2]=4 1115 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,1,0,0,0,0|0,1,2]=4 1116 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,1,0,0,0,0|2,0,0]=3 1117 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,1,0,0,0,0|2,0,0]=3 1118 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,1,0,0,0,0|1,0,1]=3 1119 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,1,0,0,0,0|1,0,1]=3 1120 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,0,0,0,0|0,0,0]=1 1121 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,0,0,0,0|0,0,0]=1 1122 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,0,0,0,0|1,0,1]=3 1123 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,0,0,0,0|1,0,1]=3 1124 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,0,0,0,0|0,0,2]=3 1125 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,0,0,0,0|0,0,2]=3 1126 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,0,0,0,0|0,0,2]=3 1127 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,0,0,0,0|0,0,2]=3 1128 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,1,0,0,0,0|1,0,1]=3 1129 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,1,0,0,0,0|1,0,1]=3 1130 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,1,0,0,0,0|1,0,1]=3 1131 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,0,0,0,0|0,0,0]=1 1132 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,0,0,0,0|1,0,1]=3 1133 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,0,0,0,0|1,0,1]=3 1134 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,0,0,0,0|0,0,2]=3 1135 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,0,0,0,0|0,0,2]=3 1136 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,0,0,0,0|0,0,2]=3 1137 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,1,0,0,0,0|2,0,0]=3 1138 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [0,1,0,0,0,0|1,0,1]=3 1139 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [0,1,0,0,0,0|1,0,1]=3 1140 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [0,1,0,0,0,0|1,0,1]=3 1141 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,0,0,0,0|0,0,0]=1 1142 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,0,0,0,0|0,0,0]=1 1143 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,0,0,0,0|1,0,1]=3 1144 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,0,0,0,0|1,0,1]=3 1145 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,0,0,0,0|1,0,1]=3 1146 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,0,0,0,0|1,0,1]=3 1147 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,0,0,0,0|0,0,2]=3 1148 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,0,0,0,0|0,0,2]=3 1149 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,0,0,0,0|0,0,2]=3 1150 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,0,0,0,0|0,0,2]=3 1151 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,1,0,0,0,0|2,0,0]=3 1152 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,1,0,0,0,0|1,0,1]=3 1153 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,1,0,0,0,0|1,0,1]=3 1154 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,1,0,0,0,0|0,0,0]=1 1155 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,1,0,0,0,0|0,0,0]=1 1156 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,0,0,0,0|1,0,1]=3 1157 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,0,0,0,0|1,0,1]=3 1158 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,0,0,0,0|0,0,2]=3 1159 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,0,0,0,0|0,0,2]=3 1160 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,1,0,0,0,0|2,0,0]=3 1161 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,1,0,0,0,0|2,0,0]=3 1162 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,1,0,0,0,0|1,0,1]=3 1163 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,1,0,0,0,0|1,0,1]=3 1164 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,1,0,0,0,0|1,0,1]=3 1165 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,0,0,0,0|1,0,1]=3 1166 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,1,0,0,0,0|1,0,1]=3 1167 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,1,0,0,0,0|1,0,1]=3 1168 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,0,0,0,0|2,0,0]=3 1169 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,1,0,0,0,0|1,0,1]=3 1170 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,1,0,0,0,0|1,0,1]=3 1171 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,1,0,0,0,0|1,0,1]=3 1172 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,1,0,0,0,0|1,0,1]=3 1173 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,1,0,0,0,0|0,0,2]=3 1174 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,1,0,0,0,0|0,0,2]=3 1175 B7R0.1 CSCSCSC#N 62a_100000211825_100011218213 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.1 CSCSCSC#N 62a_100011218213_100000211825 [0,1,0,0,0,0|2,0,1]=4 1177 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,0,0,0,0|1,1,1]=4 1178 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,0,0,0,0|1,1,1]=4 1179 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,0,0,0,0|1,0,1]=3 1180 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,0,0,0,0|1,0,1]=3 1181 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,0,0,0,0|1,1,1]=4 1182 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,0,0,0,0|1,1,1]=4 1183 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,0,0,0,0|1,1,1]=4 1184 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,0,0,0,0|1,1,1]=4 1185 B7R0.1 N#CCCCSCF 62a_100000687738_100015361967 [0,1,0,0,0,0|1,0,1]=3 1186 B7R0.1 N#CCCCSCF 62a_100015361967_100000687738 [0,1,0,0,0,0|1,0,1]=3 1187 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,1,0,0,0,0|2,0,0]=3 1188 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,1,0,0,0,0|2,0,0]=3 1189 B7R0.1 N#CSCCSCF 62a_100000034367_100015361967 [0,1,0,0,0,0|2,0,1]=4 1190 B7R0.1 N#CSCCSCF 62a_100015361967_100000034367 [0,1,0,0,0,0|2,0,1]=4 1191 B7R0.1 N#CSCSCC=O 62a_100000211825_200015260668 [0,1,0,0,0,0|1,0,1]=3 1192 B7R0.1 N#CSCSCC=O 62a_200015260668_100000211825 [0,1,0,0,0,0|1,0,1]=3 1193 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,0,0,0,0|1,1,1]=4 1194 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,0,0,0,0|2,0,0]=3 1195 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,0,0,0,0|1,1,0]=3 1196 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,1,0,0,0,0|0,0,0]=1 1197 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,1,0,0,0,0|0,0,0]=1 1198 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,0,0,0,0|2,0,0]=3 1199 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,0,0,0,0|2,0,0]=3 1200 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,0,0,0,0|2,0,0]=3 1201 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,0,0,0,0|2,0,0]=3 1202 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,0,0,0,0|2,0,0]=3 1203 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,1,0,0,0,0|2,0,0]=3 1204 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,1,0,0,0,0|2,0,0]=3 1205 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,0,0,0,0|2,0,0]=3 1206 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,0,0,0,0|2,0,0]=3 1207 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,0,0,0,0|1,0,2]=4 1208 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,0,0,0,0|0,0,2]=3 1209 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,0,0,0,0|0,0,2]=3 1210 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,0,0,0,0|1,0,2]=4 1211 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,0,0,0,0|1,0,2]=4 1212 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [0,1,0,0,0,0|3,0,0]=4 1213 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,0,0,0,0|1,0,2]=4 1214 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,0,0,0,0|1,0,2]=4 1215 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,0,0,0,0|1,0,2]=4 1216 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,0,0,0,0|1,1,1]=4 1217 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,0,0,0,0|1,1,1]=4 1218 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,0,0,0,0|1,1,1]=4 1219 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,0,0,0,0|1,1,1]=4 1220 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,0,0,0,0|1,1,1]=4 1221 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,0,0,0,0|1,1,1]=4 1222 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,0,0,0,0|1,1,1]=4 1223 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,0,0,0,0|1,1,1]=4 1224 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,0,0,0,0|1,1,1]=4 1225 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,0,0,0,0|1,1,1]=4 1226 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,0,0,0,0|1,1,1]=4 1227 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,0,0,0,0|1,1,1]=4 1228 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,0,0,0,0|1,1,1]=4 1229 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,0,0,0,0|1,1,1]=4 1230 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,0,0,0,0|1,1,1]=4 1231 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,0,0,0,0|1,1,1]=4 1232 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,1,0,0,0,0|1,0,1]=3 1233 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,1,0,0,0,0|1,0,1]=3 1234 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,0,0,0,0|0,0,0]=1 1235 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,0,0,0,0|0,0,0]=1 1236 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,0,0,0,0|1,0,1]=3 1237 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,0,0,0,0|1,0,1]=3 1238 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,0,0,0,0|0,0,2]=3 1239 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,0,0,0,0|0,0,2]=3 1240 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [0,1,0,0,0,0|1,0,1]=3 1241 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [0,1,0,0,0,0|1,0,1]=3 1242 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,0,0,0,0|0,0,2]=3 1243 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,0,0,0,0|0,0,2]=3 1244 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|1,0,2]=4 1245 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,1,0,0,0,0|2,0,1]=4 1246 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,1,0,0,0,0|2,0,1]=4 1247 B7R0.3 C#CC(C)NCSC 2230a_100000707721_100011218213 [0,1,0,0,0,0|2,0,1]=4 1248 B7R0.3 C#CC(C)NCSC 34a_100000707721_100011218213 [0,1,0,0,0,0|2,0,1]=4 1249 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,1,0,0,0,0|2,0,1]=4 1250 B7R0.3 C#CC(C)SCSC 62a_200000035995_100011218213 [0,1,0,0,0,0|2,0,1]=4 1251 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,1,0,0,0,0|2,0,1]=4 1252 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,1,0,0,0,0|2,0,1]=4 1253 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [0,1,0,0,0,0|2,0,1]=4 1254 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|2,0,1]=4 1255 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|1,1,1]=4 1256 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|1,0,1]=3 1257 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,0,0,0,0|3,0,0]=4 1258 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,0,0,0,0|3,0,0]=4 1259 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,0,0,0,0|2,0,1]=4 1260 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,0,0,0,0|3,0,0]=4 1261 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,0,0,0,0|2,0,0]=3 1262 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,1,0,0,0,0|2,0,1]=4 1263 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|3,0,0]=4 1264 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,1,0,0,0,0|2,1,0]=4 1265 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,1,0,0,0,0|2,0,0]=3 1266 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,0,0,0,0|3,0,0]=4 1267 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,0,0,0,0|3,0,0]=4 1268 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,0,0,0,0|3,0,0]=4 1269 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,0,0,0,0|3,0,0]=4 1270 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|2,0,1]=4 1271 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|2,0,1]=4 1272 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|2,0,1]=4 1273 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 1274 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 1275 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 1276 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,0,0,0,0|2,0,0]=3 1277 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|1,1,0]=3 1278 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|1,1,0]=3 1279 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|1,1,0]=3 1280 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|1,1,0]=3 1281 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,1,0,0,0,0|3,0,0]=4 1282 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,1,0,0,0,0|3,0,0]=4 1283 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,1,0,0,0,0|3,0,0]=4 1284 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,1,0,0,0,0|3,0,0]=4 1285 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|3,0,0]=4 1286 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|3,0,0]=4 1287 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|3,0,0]=4 1288 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|3,0,0]=4 1289 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|3,0,0]=4 1290 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|3,0,0]=4 1291 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,1,0,0,0,0|2,1,0]=4 1292 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,1,0,0,0,0|2,1,0]=4 1293 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,0,0,0,0|3,0,0]=4 1294 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,1,0,0,0,0|3,0,0]=4 1295 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,1,0,0,0,0|3,0,0]=4 1296 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,1,0,0,0,0|3,0,0]=4 1297 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,1,0,0,0,0|3,0,0]=4 1298 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|1,1,1]=4 1299 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|1,1,1]=4 1300 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,1,0,0,0,0|3,0,0]=4 1301 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,1,0,0,0,0|3,0,0]=4 1302 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|3,0,0]=4 1303 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,0,0,0,0|1,0,2]=4 1304 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|1,0,2]=4 1305 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|3,0,0]=4 1306 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|1,0,2]=4 1307 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|1,0,2]=4 1308 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|2,0,1]=4 1309 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|2,0,1]=4 1310 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|1,1,1]=4 1311 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|1,1,1]=4 1312 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|2,0,0]=3 1313 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|2,0,1]=4 1314 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|2,0,0]=3 1315 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|2,0,0]=3 1316 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|2,0,0]=3 1317 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|2,0,1]=4 1318 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|2,0,1]=4 1319 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|2,0,1]=4 1320 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 1321 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|2,0,1]=4 1322 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|2,0,1]=4 1323 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 1324 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|2,0,1]=4 1325 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|1,1,1]=4 1326 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|1,1,1]=4 1327 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|1,1,1]=4 1328 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|1,1,1]=4 1329 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|1,1,1]=4 1330 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|1,0,1]=3 1331 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|1,0,1]=3 1332 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|1,0,1]=3 1333 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|1,0,1]=3 1334 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,0,0,0,0|2,0,1]=4 1335 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,0,0,0,0|2,0,1]=4 1336 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,0,0,0,0|2,0,1]=4 1337 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,0,0,0,0|2,0,1]=4 1338 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|2,0,1]=4 1339 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 1340 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 1341 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 1342 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|2,0,1]=4 1343 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|2,0,1]=4 1344 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|2,0,1]=4 1345 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|2,0,1]=4 1346 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,0,0,0,0|2,1,0]=4 1347 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,0,0,0,0|2,0,0]=3 1348 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,0,0,0,0|1,0,2]=4 1349 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,0,0,0,0|1,0,2]=4 1350 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|2,0,1]=4 1351 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|2,0,1]=4 1352 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|2,0,1]=4 1353 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|2,0,1]=4 1354 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|1,1,1]=4 1355 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|1,1,1]=4 1356 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|2,1,0]=4 1357 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,0,0,0,0|1,1,0]=3 1358 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,0,0,0,0|1,1,0]=3 1359 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,1,0,0,0,0|3,0,0]=4 1360 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,1,0,0,0,0|3,0,0]=4 1361 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|2,1,0]=4 1362 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|1,0,2]=4 1363 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|0,0,3]=4 1364 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,1,0,0,0,0|2,0,1]=4 1365 B7R0.3 CSCNC(C)C#N 2230a_100000737613_100011218213 [0,1,0,0,0,0|2,0,1]=4 1366 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,0,0,0,0|1,0,2]=4 1367 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [0,1,0,0,0,0|2,0,1]=4 1368 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,0,0,0,0|2,0,1]=4 1369 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,0,0,0,0|2,0,1]=4 1370 B7R0.3 CSCSC(C)C#N 62a_100000703298_100011218213 [0,1,0,0,0,0|2,0,1]=4 1371 B7R0.3 CSCSC(C)C#N 62a_100011218213_100000703298 [0,1,0,0,0,0|2,0,1]=4 1372 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,0,0,0,0|1,0,2]=4 1373 B7R0.3 CSCSC(F)C#N 62a_100011218213_200000117898 [0,1,0,0,0,0|2,0,1]=4 1374 B7R0.3 CSCSC(F)C#N 62a_200000117898_100011218213 [0,1,0,0,0,0|2,0,1]=4 1375 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,0,0,0,0|1,0,2]=4 1376 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,0,0,0,0|1,0,2]=4 1377 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|3,0,0]=4 1378 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|3,0,0]=4 1379 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|3,0,0]=4 1380 B7R0.3 N#CC(F)SCC=O 62a_200000117898_200015260668 [0,1,0,0,0,0|3,0,0]=4 1381 B7R0.3 N#CC(F)SCC=O 62a_200015260668_200000117898 [0,1,0,0,0,0|3,0,0]=4 1382 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,0,0,0,0|1,0,1]=3 1383 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,0,0,0,0|1,0,1]=3 1384 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,0,0,0,0|1,0,1]=3 1385 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [0,1,0,0,0,0|2,0,1]=4 1386 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [0,1,0,0,0,0|2,0,1]=4 1387 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 1388 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 1389 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 1390 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,1,0,0,0,0|2,0,1]=4 1391 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,1,0,0,0,0|2,0,1]=4 1392 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,1,0,0,0,0|2,0,1]=4 1393 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,0,0,0,0|2,0,1]=4 1394 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,1,0,0,0,0|2,0,1]=4 1395 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,1,0,0,0,0|2,0,1]=4 1396 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,1,0,0,0,0|2,0,1]=4 1397 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,1,0,0,0,0|2,0,1]=4 1398 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,1,0,0,0,0|2,0,1]=4 1399 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,1,0,0,0,0|2,0,1]=4 1400 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,1,0,0,0,0|2,0,1]=4 1401 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,1,0,0,0,0|2,0,1]=4 1402 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,0,0,0,0|3,0,0]=4 1403 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,0,0,0,0|3,0,0]=4 1404 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,0,0,0,0|3,0,0]=4 1405 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,0,0,0,0|3,0,0]=4 1406 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,0,0,0,0|3,0,0]=4 1407 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,0,0,0,0|3,0,0]=4 1408 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,0,0,0,0|2,0,0]=3 1409 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,0,0,0,0|3,0,0]=4 1410 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,0,0,0,0|3,0,0]=4 1411 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,1,0,0,0,0|2,0,0]=3 1412 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,0,0,0,0|2,0,0]=3 1413 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,0,0,0,0|2,0,0]=3 1414 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,0,0,0,0|3,0,0]=4 1415 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,0,0,0,0|3,0,0]=4 1416 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,1,0,0,0,0|2,1,0]=4 1417 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,1,0,0,0,0|2,1,0]=4 1418 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,1,0,0,0,0|2,0,0]=3 1419 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,1,0,0,0,0|2,0,0]=3 1420 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,1,0,0,0,0|2,0,1]=4 1421 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,0,0,0,0|3,0,0]=4 1422 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,0,0,0,0|3,0,0]=4 1423 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,1,0,0,0,0|2,0,0]=3 1424 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,1,0,0,0,0|2,0,1]=4 1425 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,1,0,0,0,0|2,0,1]=4 1426 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,0,0,0,0|3,0,0]=4 1427 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,0,0,0,0|3,0,0]=4 1428 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,1,0,0,0,0|2,1,0]=4 1429 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,1,0,0,0,0|2,1,0]=4 1430 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,1,0,0,0,0|2,0,0]=3 1431 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,1,0,0,0,0|2,0,0]=3 1432 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,0,0,0,0|1,0,1]=3 1433 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,0,0,0,0|1,0,1]=3 1434 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,0,0,0,0|1,0,1]=3 1435 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,1,0,0,0,0|2,0,0]=3 1436 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,1,0,0,0,0|2,0,0]=3 1437 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,0,0,0,0|2,0,1]=4 1438 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,0,0,0,0|2,0,1]=4 1439 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,0,0,0,0|2,0,1]=4 1440 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,0,0,0,0|2,0,1]=4 1441 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,1,0,0,0,0|3,0,0]=4 1442 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,1,0,0,0,0|3,0,0]=4 1443 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,1,0,0,0,0|3,0,0]=4 1444 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,1,0,0,0,0|3,0,0]=4 1445 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,1,0,0,0,0|3,0,0]=4 1446 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,1,0,0,0,0|3,0,0]=4 1447 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,1,0,0,0,0|3,0,0]=4 1448 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,1,0,0,0,0|3,0,0]=4 1449 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,0,0,0,0|2,0,1]=4 1450 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,0,0,0,0|2,0,1]=4 1451 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,0,0,0,0|2,0,1]=4 1452 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,0,0,0,0|3,0,0]=4 1453 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,0,0,0,0|3,0,0]=4 1454 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,0,0,0,0|3,0,0]=4 1455 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,0,0,0,0|3,0,0]=4 1456 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,0,0,0,0|3,0,0]=4 1457 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,0,0,0,0|3,0,0]=4 1458 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,0,0,0,0|3,0,0]=4 1459 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,0,0,0,0|3,0,0]=4 1460 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,1,0,0,0,0|3,0,0]=4 1461 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,1,0,0,0,0|3,0,0]=4 1462 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,0,0,0,0|2,0,1]=4 1463 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,0,0,0,0|2,0,1]=4 1464 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,0,0,0,0|2,0,1]=4 1465 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,1,0,0,0,0|3,0,0]=4 1466 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,1,0,0,0,0|3,0,0]=4 1467 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,1,0,0,0,0|3,0,0]=4 1468 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,1,0,0,0,0|3,0,0]=4 1469 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,0,0,0,0|3,0,0]=4 1470 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,1,0,0,0,0|3,0,0]=4 1471 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,0,0,0,0|3,0,0]=4 1472 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,0,0,0,0|3,0,0]=4 1473 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,1,0,0,0,0|3,0,0]=4 1474 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,1,0,0,0,0|3,0,0]=4 1475 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,0,0,0,0|2,0,1]=4 1476 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,0,0,0,0|2,0,1]=4 1477 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,0,0,0,0|2,0,1]=4 1478 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,0,0,0,0|2,0,1]=4 1479 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,0,0,0,0|2,0,1]=4 1480 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,0,0,0,0|2,0,1]=4 1481 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,1,0,0,0,0|3,0,0]=4 1482 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,1,0,0,0,0|3,0,0]=4 1483 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,0,0,0,0|3,0,0]=4 1484 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,0,0,0,0|3,0,0]=4 1485 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,0,0,0,0|3,0,0]=4 1486 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,0,0,0,0|3,0,0]=4 1487 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,0,0,0,0|2,0,1]=4 1488 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,1,0,0,0,0|3,0,0]=4 1489 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,1,0,0,0,0|3,0,0]=4 1490 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,1,0,0,0,0|2,0,1]=4 1491 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,1,0,0,0,0|2,0,1]=4 1492 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,1,0,0,0,0|2,0,1]=4 1493 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,1,0,0,0,0|1,0,1]=3 1494 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,1,0,0,0,0|1,0,1]=3 1495 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,0,0,0,0|2,0,0]=3 1496 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,0,0,0,0|2,0,0]=3 1497 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,0,0,0,0|2,0,0]=3 1498 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|2,0,0]=3 1499 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|2,0,0]=3 1500 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|0,1,0]=2 1501 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|0,1,0]=2 1502 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|0,0,0]=1 1503 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|0,0,0]=1 1504 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,1,0,0,0,0|3,0,0]=4 1505 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,0,0,0,0|3,0,0]=4 1506 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,0,0,0,0|3,0,0]=4 1507 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,0,0,0,0|3,0,0]=4 1508 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,0,0,0,0|3,0,0]=4 1509 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,0,0,0,0|2,0,0]=3 1510 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,0,0,0,0|3,0,0]=4 1511 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|3,0,0]=4 1512 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|3,0,0]=4 1513 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,1,0,0,0,0|3,0,0]=4 1514 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,1,0,0,0,0|3,0,0]=4 1515 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,1,0,0,0,0|3,0,0]=4 1516 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,1,0,0,0,0|3,0,0]=4 1517 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,1,0,0,0,0|3,0,0]=4 1518 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,0,0,0,0|3,0,0]=4 1519 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,0,0,0,0|3,0,0]=4 1520 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,0,0,0,0|3,0,0]=4 1521 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,0,0,0,0|3,0,0]=4 1522 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,0,0,0,0|3,0,0]=4 1523 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,0,0,0,0|3,0,0]=4 1524 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,0,0,0,0|2,0,0]=3 1525 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,0,0,0,0|1,1,0]=3 1526 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,0,0,0,0|1,0,0]=2 1527 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,0,0,0,0|1,0,0]=2 1528 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,0,0,0,0|1,0,0]=2 1529 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,0,0,0,0|1,0,0]=2 1530 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,0,0,0,0|2,0,0]=3 1531 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,0,0,0,0|2,0,1]=4 1532 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,0,0,0,0|2,0,1]=4 1533 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,0,0,0,0|1,1,1]=4 1534 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,0,0,0,0|1,1,1]=4 1535 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,0,0,0,0|1,0,1]=3 1536 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,0,0,0,0|1,0,1]=3 1537 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|2,0,0]=3 1538 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|2,0,0]=3 1539 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,0,0,0,0|2,0,0]=3 1540 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,0,0,0,0|2,0,0]=3 1541 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,0,0,0,0|2,0,0]=3 1542 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,1,0,0,0,0|2,0,1]=4 1543 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,1,0,0,0,0|2,0,1]=4 1544 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,1,0,0,0,0|2,0,1]=4 1545 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,1,0,0,0,0|2,0,1]=4 1546 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,0,0,0,0|2,0,0]=3 1547 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,0,0,0,0|0,0,2]=3 1548 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,0,0,0,0|0,0,2]=3 1549 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|2,0,0]=3 1550 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|2,0,0]=3 1551 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|2,0,0]=3 1552 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|2,0,0]=3 1553 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,0,0,0,0|1,0,2]=4 1554 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,0,0,0,0|1,0,2]=4 1555 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,0,0,0,0|1,0,2]=4 1556 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,1,0,0,0,0|1,0,2]=4 1557 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,1,0,0,0,0|1,0,2]=4 1558 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,1,0,0,0,0|1,0,2]=4 1559 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,0,0,0,0|1,0,2]=4 1560 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,0,0,0,0|1,0,2]=4 1561 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|1,0,0]=2 1562 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|1,0,0]=2 1563 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|1,0,0]=2 1564 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,0,0,0,0|2,0,1]=4 1565 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,0,0,0,0|2,0,1]=4 1566 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,0,0,0,0|2,0,1]=4 1567 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,0,0,0,0|2,0,1]=4 1568 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,0,0,0,0|2,0,1]=4 1569 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,0,0,0,0|2,0,1]=4 1570 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|2,0,0]=3 1571 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|2,0,0]=3 1572 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|2,0,0]=3 1573 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|2,0,0]=3 1574 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|2,0,0]=3 1575 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|2,0,0]=3 1576 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,0,0,0,0|3,0,0]=4 1577 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|2,0,0]=3 1578 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|2,0,0]=3 1579 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,0,0,0,0|2,0,0]=3 1580 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|2,0,0]=3 1581 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,0,0,0,0|2,0,0]=3 1582 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,0,0,0,0|3,0,0]=4 1583 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|2,0,0]=3 1584 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|2,0,0]=3 1585 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|2,0,0]=3 1586 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|2,0,0]=3 1587 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|2,0,0]=3 1588 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|2,0,0]=3 1589 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,0,0,0,0|3,0,0]=4 1590 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,0,0,0,0|2,0,0]=3 1591 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,0,0,0,0|3,0,0]=4 1592 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,0,0,0,0|2,0,0]=3 1593 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,0,0,0,0|2,0,0]=3 1594 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,0,0,0,0|2,0,0]=3 1595 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,0,0,0,0|2,0,0]=3 1596 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,0,0,0,0|2,0,0]=3 1597 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,0,0,0,0|2,0,0]=3 1598 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,0,0,0,0|2,0,0]=3 1599 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,0,0,0,0|2,0,0]=3 1600 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,1,0,0,0,0|3,0,0]=4 1601 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,0,0,0,0|2,0,0]=3 1602 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,0,0,0,0|2,0,0]=3 1603 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,0,0,0,0|2,0,0]=3 1604 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,0,0,0,0|2,0,0]=3 1605 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,0,0,0,0|2,0,0]=3 1606 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,0,0,0,0|2,0,0]=3 1607 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,0,0,0,0|2,0,0]=3 1608 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,1,0,0,0,0|3,0,0]=4 1609 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,1,0,0,0,0|3,0,0]=4 1610 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,1,0,0,0,0|2,0,1]=4 1611 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,1,0,0,0,0|2,0,1]=4 1612 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,0,0,0,0|1,0,0]=2 1613 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,0,0,0,0|1,0,0]=2 1614 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,1,0,0,0,0|2,0,1]=4 1615 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,1,0,0,0,0|2,0,1]=4 1616 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,0,0,0,0|1,0,2]=4 1617 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,0,0,0,0|1,0,2]=4 1618 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,0,0,0,0|1,0,2]=4 1619 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,0,0,0,0|1,0,2]=4 1620 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,1,0,0,0,0|2,0,0]=3 1621 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,0,0,0,0|1,0,2]=4 1622 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,0,0,0,0|1,0,2]=4 1623 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,1,0,0,0,0|2,0,1]=4 1624 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,1,0,0,0,0|2,0,1]=4 1625 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,1,0,0,0,0|2,0,1]=4 1626 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,1,0,0,0,0|2,0,1]=4 1627 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,1,0,0,0,0|2,0,1]=4 1628 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,1,0,0,0,0|2,0,1]=4 1629 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|1,0,0]=2 1630 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|1,0,0]=2 1631 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,0,0,0,0|1,0,0]=2 1632 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,0,0,0,0|1,0,0]=2 1633 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,0,0,0,0|1,0,0]=2 1634 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,0,0,0,0|2,0,1]=4 1635 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,0,0,0,0|2,0,1]=4 1636 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,0,0,0,0|2,0,1]=4 1637 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,0,0,0,0|2,0,1]=4 1638 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,0,0,0,0|2,0,1]=4 1639 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,0,0,0,0|1,0,2]=4 1640 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,0,0,0,0|1,0,2]=4 1641 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,0,0,0,0|1,0,2]=4 1642 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,0,0,0,0|3,0,0]=4 1643 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,0,0,0,0|2,0,0]=3 1644 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,0,0,0,0|2,0,0]=3 1645 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,0,0,0,0|2,0,0]=3 1646 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,0,0,0,0|2,0,0]=3 1647 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,0,0,0,0|2,0,0]=3 1648 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,0,0,0,0|2,0,0]=3 1649 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,0,0,0,0|2,0,0]=3 1650 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,0,0,0,0|2,0,0]=3 1651 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,0,0,0,0|2,0,0]=3 1652 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,0,0,0,0|2,0,0]=3 1653 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,0,0,0,0|2,0,0]=3 1654 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,1,0,0,0,0|0,1,2]=4 1655 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,1,0,0,0,0|0,1,2]=4 1656 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,1,0,0,0,0|1,1,1]=4 1657 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,1,0,0,0,0|1,1,1]=4 1658 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|0,1,0]=2 1659 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|0,1,0]=2 1660 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|0,1,0]=2 1661 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|0,1,0]=2 1662 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|0,1,0]=2 1663 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,0,0,0,0|0,1,0]=2 1664 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|0,1,0]=2 1665 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,0,0,0,0|1,1,1]=4 1666 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,0,0,0,0|1,1,1]=4 1667 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,0,0,0,0|1,1,1]=4 1668 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,0,0,0,0|0,1,2]=4 1669 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,1,0,0,0,0|2,1,0]=4 1670 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,1,0,0,0,0|2,1,0]=4 1671 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,1,0,0,0,0|2,1,0]=4 1672 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,1,0,0,0,0|2,1,0]=4 1673 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,1,0,0,0,0|2,1,0]=4 1674 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,1,0,0,0,0|2,1,0]=4 1675 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,1,0,0,0,0|1,1,0]=3 1676 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,0,0,0,0|1,1,0]=3 1677 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,0,0,0,0|1,1,0]=3 1678 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,0,0,0,0|1,1,0]=3 1679 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,0,0,0,0|1,1,0]=3 1680 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,0,0,0,0|1,1,0]=3 1681 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,0,0,0,0|1,1,0]=3 1682 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,0,0,0,0|1,1,0]=3 1683 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,0,0,0,0|1,1,0]=3 1684 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,0,0,0,0|1,1,0]=3 1685 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|1,1,0]=3 1686 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,0,0,0,0|1,1,0]=3 1687 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,0,0,0,0|1,1,0]=3 1688 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,0,0,0,0|1,1,0]=3 1689 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,0,0,0,0|1,1,0]=3 1690 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,1,0,0,0,0|2,1,0]=4 1691 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,0,0,0,0|2,0,0]=3 1692 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,1,0,0,0,0|1,0,1]=3 1693 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,1,0,0,0,0|1,0,1]=3 1694 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,1,0,0,0,0|1,0,1]=3 1695 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,1,0,0,0,0|1,0,1]=3 1696 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|0,0,0]=1 1697 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|0,0,0]=1 1698 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|0,0,0]=1 1699 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|0,0,0]=1 1700 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|0,0,0]=1 1701 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|0,0,0]=1 1702 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,0,0,0,0|1,0,1]=3 1703 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,0,0,0,0|1,0,1]=3 1704 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,0,0,0,0|0,0,2]=3 1705 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,0,0,0,0|0,0,2]=3 1706 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,1,0,0,0,0|2,0,0]=3 1707 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,0,0,0,0|1,0,0]=2 1708 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,0,0,0,0|1,0,0]=2 1709 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,0,0,0,0|1,0,0]=2 1710 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,0,0,0,0|1,0,0]=2 1711 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,0,0,0,0|1,0,0]=2 1712 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,0,0,0,0|1,0,0]=2 1713 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,0,0,0,0|1,0,0]=2 1714 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,0,0,0,0|1,0,0]=2 1715 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,1,0,0,0,0|2,0,1]=4 1716 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,1,0,0,0,0|2,0,1]=4 1717 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,1,0,0,0,0|2,0,1]=4 1718 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,0,0,0,0|1,0,0]=2 1719 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,0,0,0,0|1,0,0]=2 1720 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,0,0,0,0|1,0,0]=2 1721 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,0,0,0,0|1,0,0]=2 1722 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,1,0,0,0,0|2,0,1]=4 1723 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,1,0,0,0,0|2,0,1]=4 1724 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,1,0,0,0,0|2,0,1]=4 1725 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,1,0,0,0,0|2,0,1]=4 1726 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,1,0,0,0,0|2,0,1]=4 1727 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,1,0,0,0,0|2,0,1]=4 1728 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,1,0,0,0,0|2,0,1]=4 1729 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,1,0,0,0,0|2,0,1]=4 1730 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,1,0,0,0,0|2,0,1]=4 1731 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,0,0,0,0|1,0,0]=2 1732 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|1,0,0]=2 1733 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,1,0,0,0,0|2,0,1]=4 1734 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,1,0,0,0,0|2,0,1]=4 1735 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,0,0,0,0|1,0,2]=4 1736 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,0,0,0,0|1,0,2]=4 1737 B7R0.4 CSCNCC(F)F 34a_100000765723_100011218213 [0,1,0,0,0,0|2,0,1]=4 1738 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,0,0,0,0|1,0,0]=2 1739 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,1,0,0,0,0|2,0,1]=4 1740 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,1,0,0,0,0|2,0,1]=4 1741 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,1,0,0,0,0|2,0,1]=4 1742 B7R0.4 CSCOCC(F)F 34a_100000743014_100011218213 [0,1,0,0,0,0|2,0,1]=4 1743 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,1,0,0,0,0|2,0,1]=4 1744 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,1,0,0,0,0|2,0,1]=4 1745 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,0,0,0,0|1,0,0]=2 1746 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,0,0,0,0|1,0,0]=2 1747 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,0,0,0,0|1,0,0]=2 1748 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,0,0,0,0|1,0,0]=2 1749 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,1,0,0,0,0|2,0,1]=4 1750 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,1,0,0,0,0|2,0,1]=4 1751 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,0,0,0,0|1,0,2]=4 1752 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,0,0,0,0|1,0,2]=4 1753 B7R0.4 CSCSCC(F)F 62a_100011218213_100011934356 [0,1,0,0,0,0|2,0,1]=4 1754 B7R0.4 CSCSCC(F)F 62a_100011934356_100011218213 [0,1,0,0,0,0|2,0,1]=4 1755 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,0,0,0,0|1,0,2]=4 1756 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,0,0,0,0|1,0,2]=4 1757 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [0,1,0,0,0,0|2,0,0]=3 1758 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,0,0,0,0|2,0,0]=3 1759 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,0,0,0,0|2,0,0]=3 1760 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|2,0,0]=3 1761 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|2,0,0]=3 1762 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,1,0,0,0,0|3,0,0]=4 1763 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,0,0,0,0|3,0,0]=4 1764 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,1,0,0,0,0|3,0,0]=4 1765 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,1,0,0,0,0|3,0,0]=4 1766 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,1,0,0,0,0|3,0,0]=4 1767 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,1,0,0,0,0|3,0,0]=4 1768 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,0,0,0,0|3,0,0]=4 1769 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,0,0,0,0|3,0,0]=4 1770 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,0,0,0,0|3,0,0]=4 1771 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,0,0,0,0|3,0,0]=4 1772 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,0,0,0,0|3,0,0]=4 1773 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|3,0,0]=4 1774 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|3,0,0]=4 1775 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|3,0,0]=4 1776 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|3,0,0]=4 1777 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|3,0,0]=4 1778 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,0,0,0,0|3,0,0]=4 1779 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,0,0,0,0|3,0,0]=4 1780 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,0,0,0,0|3,0,0]=4 1781 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,0,0,0,0|3,0,0]=4 1782 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,0,0,0,0|3,0,0]=4 1783 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|3,0,0]=4 1784 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|3,0,0]=4 1785 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,0,0,0,0|3,0,0]=4 1786 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,0,0,0,0|3,0,0]=4 1787 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|3,0,0]=4 1788 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|3,0,0]=4 1789 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|3,0,0]=4 1790 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|3,0,0]=4 1791 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,0,0,0,0|3,0,0]=4 1792 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,0,0,0,0|3,0,0]=4 1793 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,0,0,0,0|3,0,0]=4 1794 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|3,0,0]=4 1795 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|3,0,0]=4 1796 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,0,0,0,0|3,0,0]=4 1797 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,1,0,0,0,0|3,0,0]=4 1798 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,1,0,0,0,0|3,0,0]=4 1799 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,0,0,0,0|3,0,0]=4 1800 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,0,0,0,0|3,0,0]=4 1801 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,1,0,0,0,0|3,0,0]=4 1802 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,1,0,0,0,0|3,0,0]=4 1803 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [0,1,0,0,0,0|3,0,0]=4 1804 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,0,0,0,0|2,0,0]=3 1805 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|2,0,0]=3 1806 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,1,0,0,0,0|3,0,0]=4 1807 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|3,0,0]=4 1808 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,1,0,0,0,0|3,0,0]=4 1809 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,0,0,0,0|1,0,0]=2 1810 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,0,0,0,0|2,0,0]=3 1811 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,1,0,0,0,0|1,1,0]=3 1812 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,0,0,0,0|1,1,0]=3 1813 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,0,0,0,0|1,1,0]=3 1814 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,1,0,0,0,0|1,0,1]=3 1815 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,1,0,0,0,0|1,0,1]=3 1816 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|0,0,0]=1 1817 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|0,0,0]=1 1818 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,0,0,0,0|1,0,0]=2 1819 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,0,0,0,0|1,0,0]=2 1820 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,0,0,0,0|1,0,0]=2 1821 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,0,0,0,0|1,0,0]=2 1822 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,1,0,0,0,0|1,0,2]=4 1823 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,1,0,0,0,0|2,0,1]=4 1824 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,1,0,0,0,0|2,0,1]=4 1825 B7R0.7 C#CCN(C)CSC 2230a_100000225692_100011218213 [0,1,0,0,0,0|2,0,1]=4 1826 B7R0.7 C#CCN(C)CSC 34a_100000225692_100011218213 [0,1,0,0,0,0|2,0,1]=4 1827 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|2,0,1]=4 1828 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|2,0,1]=4 1829 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,0,0,0,0|1,1,1]=4 1830 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|1,0,1]=3 1831 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,0,0,0,0|1,1,0]=3 1832 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,0,0,0,0|1,1,0]=3 1833 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,0,0,0,0|1,1,0]=3 1834 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,0,0,0,0|1,1,0]=3 1835 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,1,0,0,0,0|2,0,1]=4 1836 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,1,0,0,0,0|2,0,1]=4 1837 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|3,0,0]=4 1838 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|3,0,0]=4 1839 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|3,0,0]=4 1840 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|3,0,0]=4 1841 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,1,0,0,0,0|2,1,0]=4 1842 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,1,0,0,0,0|2,1,0]=4 1843 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,1,0,0,0,0|2,0,0]=3 1844 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,1,0,0,0,0|2,0,0]=3 1845 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|3,0,0]=4 1846 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|3,0,0]=4 1847 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,1,0,0,0,0|1,1,0]=3 1848 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,1,0,0,0,0|1,1,0]=3 1849 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,0,0,0,0|2,0,1]=4 1850 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,0,0,0,0|2,0,1]=4 1851 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,0,0,0,0|2,0,1]=4 1852 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,0,0,0,0|2,0,1]=4 1853 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|1,1,1]=4 1854 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|1,0,2]=4 1855 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|1,0,2]=4 1856 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|1,0,2]=4 1857 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|1,0,2]=4 1858 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|1,0,2]=4 1859 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 1860 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|2,0,1]=4 1861 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|2,0,1]=4 1862 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 1863 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|1,1,1]=4 1864 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|1,1,1]=4 1865 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|1,1,1]=4 1866 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|1,1,1]=4 1867 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|1,1,1]=4 1868 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|1,0,1]=3 1869 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|1,0,1]=3 1870 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|1,0,1]=3 1871 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|1,0,1]=3 1872 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|2,0,0]=3 1873 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|2,0,0]=3 1874 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|2,0,1]=4 1875 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|2,0,1]=4 1876 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|1,1,1]=4 1877 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|1,1,1]=4 1878 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|2,0,1]=4 1879 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,1,0,0,0,0|3,0,0]=4 1880 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|3,0,0]=4 1881 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|3,0,0]=4 1882 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,1,0,0,0,0|2,1,0]=4 1883 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,1,0,0,0,0|2,1,0]=4 1884 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,1,0,0,0,0|2,1,0]=4 1885 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,1,0,0,0,0|2,1,0]=4 1886 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,1,0,0,0,0|2,0,1]=4 1887 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,1,0,0,0,0|2,0,1]=4 1888 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,0,0,0,0|1,1,1]=4 1889 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|2,1,0]=4 1890 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|2,1,0]=4 1891 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,1,0,0,0,0|2,1,0]=4 1892 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|2,1,0]=4 1893 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,1,0,0,0,0|2,1,0]=4 1894 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,0,0,0,0|2,0,0]=3 1895 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,0,0,0,0|2,0,0]=3 1896 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,0,0,0,0|2,0,0]=3 1897 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,0,0,0,0|2,0,0]=3 1898 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,1,0,0,0,0|1,0,2]=4 1899 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|1,0,2]=4 1900 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|0,0,3]=4 1901 B7R0.7 CSCN(C)CC#N 2230a_100000748184_100011218213 [0,1,0,0,0,0|2,0,1]=4 1902 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|1,0,2]=4 1903 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|1,0,2]=4 1904 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,1,0,0,0,0|1,0,1]=3 1905 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,1,0,0,0,0|1,0,1]=3 1906 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,1,0,0,0,0|1,0,1]=3 1907 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,1,0,0,0,0|1,0,1]=3 1908 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,0,0,1,0,0|2,0,1]=4 1909 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,0,0,1,0,0|2,0,1]=4 1910 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,0,0,1,0,0|2,0,1]=4 1911 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|2,0,1]=4 1912 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|2,0,1]=4 1913 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|2,0,1]=4 1914 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|2,0,1]=4 1915 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|2,0,1]=4 1916 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|2,0,1]=4 1917 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,1,0,0|2,1,0]=4 1918 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,1,0,0|2,1,0]=4 1919 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,1,0,0|2,1,0]=4 1920 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,1,0,0|2,1,0]=4 1921 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,1,0,0|2,0,0]=3 1922 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,1,0,0|2,1,0]=4 1923 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,1,0,0|2,1,0]=4 1924 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,1,0,0|2,1,0]=4 1925 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|1,1,1]=4 1926 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|1,1,1]=4 1927 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|1,1,1]=4 1928 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|0,1,2]=4 1929 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,1,0,0|2,1,0]=4 1930 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,1,0,0|2,0,0]=3 1931 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,1,0,0|2,1,0]=4 1932 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|1,0,1]=3 1933 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|1,0,1]=3 1934 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|2,0,0]=3 1935 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,0,0,1,0,0|2,0,1]=4 1936 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,0,0,1,0,0|2,0,1]=4 1937 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|2,0,1]=4 1938 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|2,0,1]=4 1939 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,1,0,0|2,1,0]=4 1940 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,1,0,0|2,1,0]=4 1941 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,1,0,0|2,1,0]=4 1942 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|1,1,1]=4 1943 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|1,1,1]=4 1944 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|0,1,2]=4 1945 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,1,0,0|2,0,0]=3 1946 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,1,0,0|2,1,0]=4 1947 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|1,0,1]=3 1948 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|1,0,1]=3 1949 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|2,0,0]=3 1950 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,0,0,1,0,0|2,0,1]=4 1951 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,0,0,1,0,0|2,0,1]=4 1952 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,0,0,1,0,0|2,0,1]=4 1953 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,1,0,0|2,1,0]=4 1954 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,1,0,0|2,1,0]=4 1955 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,1,0,0|2,1,0]=4 1956 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,0,0,1,0,0|2,0,1]=4 1957 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,0,0,1,0,0|2,0,1]=4 1958 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,0,0,1,0,0|2,0,1]=4 1959 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,1,0,0|2,1,0]=4 1960 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,1,0,0|2,1,0]=4 1961 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,1,0,0|2,1,0]=4 1962 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1963 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1964 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1965 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1966 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1967 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1968 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|2,0,1]=4 1969 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|2,0,1]=4 1970 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|2,0,1]=4 1971 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|2,0,1]=4 1972 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|1,1,1]=4 1973 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|1,1,1]=4 1974 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|1,1,1]=4 1975 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|1,1,1]=4 1976 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,0,0,1,0,0|3,0,0]=4 1977 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,0,1,0,0|2,0,1]=4 1978 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|2,0,1]=4 1979 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|2,0,1]=4 1980 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|2,0,1]=4 1981 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|2,0,1]=4 1982 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|2,0,1]=4 1983 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|2,0,1]=4 1984 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,0,1,0,0|1,0,2]=4 1985 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,0,1,0,0|1,0,2]=4 1986 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,0,1,0,0|1,0,2]=4 1987 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,0,0,1,0,0|2,1,0]=4 1988 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,0,0,1,0,0|2,1,0]=4 1989 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,0,0,1,0,0|2,1,0]=4 1990 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,0,0,1,0,0|2,1,0]=4 1991 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,0,0,1,0,0|2,1,0]=4 1992 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,0,1,0,0|1,0,2]=4 1993 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,0,1,0,0|1,0,2]=4 1994 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|1,1,1]=4 1995 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|1,1,1]=4 1996 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,0,1,0,0|0,1,2]=4 1997 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,0,1,0,0|0,1,2]=4 1998 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,0,0,1,0,0|2,1,0]=4 1999 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,0,0,1,0,0|2,1,0]=4 2000 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,0,0,1,0,0|2,1,0]=4 2001 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|1,0,1]=3 2002 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|1,0,1]=3 2003 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,1,0,0|0,0,2]=3 2004 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,1,0,0|0,0,2]=3 2005 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,0,0,1,0,0|2,0,0]=3 2006 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,0,0,1,0,0|2,0,0]=3 2007 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,0,0,1,0,0|2,0,1]=4 2008 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,0,0,1,0,0|2,0,1]=4 2009 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,1,0,0|2,0,0]=3 2010 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|2,0,1]=4 2011 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|2,0,1]=4 2012 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,0,0,1,0,0|2,1,0]=4 2013 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,0,0,1,0,0|2,1,0]=4 2014 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,0,1,0,0|1,0,2]=4 2015 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,0,1,0,0|1,0,2]=4 2016 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|1,1,1]=4 2017 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,0,1,0,0|0,1,2]=4 2018 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,0,0,1,0,0|2,1,0]=4 2019 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,0,0,1,0,0|2,1,0]=4 2020 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|1,0,1]=3 2021 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|1,0,1]=3 2022 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,1,0,0|0,0,2]=3 2023 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,1,0,0|0,0,2]=3 2024 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,0,0,1,0,0|2,0,0]=3 2025 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,0,0,1,0,0|2,0,0]=3 2026 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,0,0,1,0,0|3,0,0]=4 2027 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,0,0,1,0,0|3,0,0]=4 2028 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,0,0,1,0,0|3,0,0]=4 2029 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,0,0,1,0,0|2,0,1]=4 2030 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,0,0,1,0,0|2,0,1]=4 2031 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,0,0,1,0,0|2,0,1]=4 2032 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,0,0,1,0,0|2,0,1]=4 2033 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,0,0,1,0,0|2,0,1]=4 2034 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,0,0,1,0,0|2,0,1]=4 2035 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,0,1,0,0|1,0,2]=4 2036 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,0,1,0,0|1,0,2]=4 2037 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,0,1,0,0|1,0,2]=4 2038 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,0,0,1,0,0|1,1,1]=4 2039 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,0,0,1,0,0|1,1,1]=4 2040 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,0,0,1,0,0|1,1,1]=4 2041 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,0,1,0,0|0,1,2]=4 2042 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,0,1,0,0|0,1,2]=4 2043 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,0,0,1,0,0|1,0,1]=3 2044 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,0,0,1,0,0|1,0,1]=3 2045 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,0,1,0,0|0,0,2]=3 2046 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,0,1,0,0|0,0,2]=3 2047 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,0,0,1,0,0|2,0,1]=4 2048 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,0,0,1,0,0|2,0,1]=4 2049 B7R1.7 FCSCC1CS1 62a_100000031435_100015361967 [0,0,0,1,0,0|2,0,1]=4 2050 B7R1.7 FCSCC1CS1 62a_100015361967_100000031435 [0,0,0,1,0,0|2,0,1]=4 2051 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,0,1,0,0|2,0,0]=3 2052 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,0,1,0,0|2,0,0]=3 2053 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,0,0,1,0,0|2,0,1]=4 2054 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,0,0,1,0,0|1,1,1]=4 2055 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,0,0,1,0,0|1,1,1]=4 2056 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,0,1,0,0|0,1,2]=4 2057 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,0,0,1,0,0|1,0,1]=3 2058 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,0,0,1,0,0|1,0,1]=3 2059 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,0,1,0,0|0,0,2]=3 2060 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,0,1,0,0|0,0,2]=3 2061 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,0]=2 2062 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,0]=2 2063 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|0,1,0]=2 2064 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|0,0,0]=1 2065 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|0,0,0]=1 2066 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|0,0,0]=1 2067 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|0,0,0]=1 2068 B4R0.2 C#CCSC 62a_100000038162_200000210301 [2,0,0,0,0,0|0,0,2]=4 2069 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [2,0,0,0,0,0|0,0,2]=4 2070 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 2071 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 2072 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 2073 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 2074 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 2075 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|0,1,1]=4 2076 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|0,1,1]=4 2077 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|0,1,1]=4 2078 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|0,0,1]=3 2079 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|0,0,1]=3 2080 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|0,0,1]=3 2081 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|0,0,1]=3 2082 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 2083 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 2084 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 2085 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,1,0]=3 2086 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,1,0]=3 2087 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,1,0]=3 2088 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,0,0]=2 2089 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,0,0]=2 2090 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,0,0]=2 2091 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,0,0]=2 2092 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 2093 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 2094 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 2095 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 2096 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 2097 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 2098 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 2099 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 2100 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 2101 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 2102 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 2103 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 2104 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 2105 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,1]=4 2106 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 2107 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,1]=4 2108 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,1]=4 2109 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 2110 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|1,1,0]=4 2111 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|1,0,0]=3 2112 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|1,0,0]=3 2113 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|0,1,0]=3 2114 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,1,0]=4 2115 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,1,0]=4 2116 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,1,0]=4 2117 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|0,1,1]=4 2118 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,0]=3 2119 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,0]=3 2120 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,0]=3 2121 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,0]=3 2122 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,0]=3 2123 B4R0.2 CSCC#N 62a_100011215382_200000210301 [2,0,0,0,0,0|1,0,1]=4 2124 B4R0.2 CSCC#N 62a_200000210301_100011215382 [2,0,0,0,0,0|1,0,1]=4 2125 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|0,0,0]=2 2126 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|0,0,0]=2 2127 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2128 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|1,0,0]=3 2129 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|0,0,1]=3 2130 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|0,0,1]=3 2131 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|1,0,0]=3 2132 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|1,0,0]=3 2133 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|1,0,0]=3 2134 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|1,0,0]=3 2135 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 2136 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,1]=4 2137 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,1]=4 2138 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,1,0]=4 2139 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,1,0]=4 2140 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [2,0,0,0,0,0|1,0,1]=4 2141 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [2,0,0,0,0,0|1,0,1]=4 2142 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|0,0,0]=2 2143 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|0,0,0]=2 2144 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|1,0,0]=3 2145 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|1,0,0]=3 2146 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|0,0,1]=3 2147 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|0,0,1]=3 2148 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,1]=4 2149 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,1,0,0,0,0|0,1,1]=4 2150 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,1,0,0,0,0|0,1,1]=4 2151 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,1,0,0,0,0|0,1,1]=4 2152 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,1,0,0,0,0|0,1,1]=4 2153 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,1,0,0,0,0|2,0,0]=4 2154 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,1,0,0,0,0|2,0,0]=4 2155 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,1,0,0,0,0|1,0,1]=4 2156 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,1,0,0,0,0|1,0,1]=4 2157 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,1,0,0,0,0|1,0,1]=4 2158 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,1,0,0,0,0|0,1,1]=4 2159 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,1,0,0,0,0|0,0,1]=3 2160 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,1,0,0,0,0|0,0,1]=3 2161 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,1,0,0,0,0|0,0,1]=3 2162 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,1,0,0,0,0|0,0,1]=3 2163 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|1,0,1]=4 2164 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|1,0,1]=4 2165 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|2,0,0]=4 2166 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 2167 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|2,0,0]=4 2168 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 2169 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,1,0,0,0,0|0,1,1]=4 2170 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,1,0,0,0,0|0,1,1]=4 2171 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,1,0,0,0,0|0,1,1]=4 2172 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,1,0,0,0,0|0,1,1]=4 2173 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [1,1,0,0,0,0|0,1,1]=4 2174 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|0,1,1]=4 2175 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [1,1,0,0,0,0|1,0,1]=4 2176 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [1,1,0,0,0,0|1,0,1]=4 2177 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,1,0,0,0,0|1,1,0]=4 2178 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|0,0,1]=3 2179 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|0,0,1]=3 2180 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|1,1,0]=4 2181 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|1,0,1]=4 2182 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|0,0,2]=4 2183 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|0,0,2]=4 2184 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|0,0,2]=4 2185 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|0,0,2]=4 2186 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|0,0,2]=4 2187 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|1,0,1]=4 2188 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|1,0,1]=4 2189 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|1,0,1]=4 2190 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|1,0,1]=4 2191 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|1,0,1]=4 2192 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|1,0,1]=4 2193 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|0,1,1]=4 2194 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|0,0,1]=3 2195 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|0,0,1]=3 2196 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|0,0,1]=3 2197 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|0,0,1]=3 2198 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,1,0,0,0,0|1,0,1]=4 2199 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,1,0,0,0,0|1,0,1]=4 2200 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,1,0,0,0,0|1,0,1]=4 2201 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,1,0,0,0,0|1,0,1]=4 2202 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,1,0,0,0,0|1,0,1]=4 2203 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|0,1,1]=4 2204 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|0,0,1]=3 2205 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|0,0,1]=3 2206 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|0,0,1]=3 2207 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|0,0,1]=3 2208 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,1]=4 2209 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 2210 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,1]=4 2211 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,1]=4 2212 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 2213 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2214 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|0,1,1]=4 2215 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|0,1,1]=4 2216 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|0,1,1]=4 2217 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|0,1,1]=4 2218 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|0,1,1]=4 2219 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|0,0,1]=3 2220 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|0,0,1]=3 2221 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|0,0,1]=3 2222 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|0,0,1]=3 2223 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 2224 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 2225 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,1,0,0,0,0|1,0,1]=4 2226 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,1,0,0,0,0|1,0,1]=4 2227 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|1,0,1]=4 2228 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|1,0,1]=4 2229 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|1,0,1]=4 2230 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|0,1,1]=4 2231 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|0,1,1]=4 2232 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|0,1,1]=4 2233 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|0,0,1]=3 2234 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|0,0,1]=3 2235 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|0,0,1]=3 2236 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|0,0,1]=3 2237 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|1,0,1]=4 2238 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|1,0,1]=4 2239 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|1,0,1]=4 2240 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|1,0,1]=4 2241 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|1,0,1]=4 2242 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,1,0,0,0,0|1,0,1]=4 2243 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,1,0,0,0,0|1,0,1]=4 2244 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,1,0,0,0,0|1,0,1]=4 2245 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|1,0,1]=4 2246 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|1,0,1]=4 2247 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|1,0,1]=4 2248 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,1,0,0,0,0|1,0,1]=4 2249 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,1,0,0,0,0|2,0,0]=4 2250 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,1,0,0,0,0|2,0,0]=4 2251 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,1,0,0,0,0|2,0,0]=4 2252 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,1,0,0,0,0|1,0,1]=4 2253 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,1,0,0,0,0|1,0,1]=4 2254 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,1,0,0,0,0|1,0,1]=4 2255 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,1,0,0,0,0|1,0,1]=4 2256 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 2257 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 2258 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,1,0,0,0,0|1,1,0]=4 2259 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|0,1,1]=4 2260 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,1,0,0,0,0|1,1,0]=4 2261 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|1,0,1]=4 2262 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|1,0,1]=4 2263 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|1,0,1]=4 2264 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|1,0,1]=4 2265 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,1,0,0,0,0|1,1,0]=4 2266 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,1,0,0,0,0|0,1,1]=4 2267 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|0,1,1]=4 2268 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,1,0,0,0,0|1,1,0]=4 2269 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,1,0,0,0,0|0,1,1]=4 2270 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [1,1,0,0,0,0|1,1,0]=4 2271 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [1,1,0,0,0,0|1,0,1]=4 2272 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [1,1,0,0,0,0|1,0,1]=4 2273 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|0,0,1]=3 2274 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|0,0,1]=3 2275 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|1,0,1]=4 2276 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|0,0,1]=3 2277 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|0,0,1]=3 2278 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|0,0,1]=3 2279 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|0,0,1]=3 2280 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,1,0,0,0,0|1,0,0]=3 2281 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,1,0,0,0,0|1,0,0]=3 2282 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|0,0,1]=3 2283 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|0,0,1]=3 2284 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|0,0,1]=3 2285 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|0,0,1]=3 2286 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 2287 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 2288 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,1,0,0,0,0|1,0,1]=4 2289 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,1,0,0,0,0|1,0,1]=4 2290 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,1,0,0,0,0|1,1,0]=4 2291 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [1,1,0,0,0,0|1,1,0]=4 2292 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|0,0,1]=3 2293 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|0,0,1]=3 2294 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,1,0,0,0,0|1,0,0]=3 2295 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,1,0,0,0,0|1,0,0]=3 2296 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|0,0,1]=3 2297 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|0,0,1]=3 2298 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|0,0,2]=4 2299 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|0,0,2]=4 2300 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|0,0,2]=4 2301 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,2]=4 2302 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|0,1,1]=4 2303 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|0,1,1]=4 2304 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 2305 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|1,0,1]=4 2306 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 2307 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|0,1,1]=4 2308 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|0,1,1]=4 2309 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|0,1,1]=4 2310 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|0,0,1]=3 2311 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|0,0,1]=3 2312 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|0,0,1]=3 2313 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|0,0,1]=3 2314 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 2315 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|2,0,0]=4 2316 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|2,0,0]=4 2317 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|2,0,0]=4 2318 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|2,0,0]=4 2319 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|2,0,0]=4 2320 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|2,0,0]=4 2321 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|2,0,0]=4 2322 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|2,0,0]=4 2323 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|2,0,0]=4 2324 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,2]=4 2325 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,2]=4 2326 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,2]=4 2327 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,1,0,0,0,0|1,0,1]=4 2328 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,1,0,0,0,0|1,0,1]=4 2329 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,1,0,0,0,0|1,0,1]=4 2330 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,1,0,0,0,0|1,0,1]=4 2331 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,1,0,0,0,0|1,0,1]=4 2332 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,1,0,0,0,0|1,0,1]=4 2333 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|2,0,0]=4 2334 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|2,0,0]=4 2335 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|2,0,0]=4 2336 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,1,0,0,0,0|2,0,0]=4 2337 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,1,0,0,0,0|2,0,0]=4 2338 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,1,0,0,0,0|2,0,0]=4 2339 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,1,0,0,0,0|2,0,0]=4 2340 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,2]=4 2341 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|1,0,1]=4 2342 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|1,0,1]=4 2343 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|1,0,1]=4 2344 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|1,0,1]=4 2345 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,0]=3 2346 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,1,0]=3 2347 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,1,0]=3 2348 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,1,0]=3 2349 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,0]=2 2350 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,0]=2 2351 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|2,0,0]=4 2352 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 2353 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 2354 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 2355 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|2,0,0]=4 2356 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,1,0]=4 2357 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,1,0]=4 2358 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,0]=3 2359 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,0]=3 2360 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|0,1,1]=4 2361 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|0,1,1]=4 2362 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|0,1,1]=4 2363 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|0,0,1]=3 2364 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|0,0,1]=3 2365 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|1,0,0]=3 2366 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|1,0,0]=3 2367 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|1,0,0]=3 2368 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|1,0,1]=4 2369 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|1,0,1]=4 2370 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|1,0,0]=3 2371 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|1,0,0]=3 2372 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|1,0,1]=4 2373 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|0,0,1]=3 2374 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|0,0,1]=3 2375 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,2]=4 2376 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,2]=4 2377 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,2]=4 2378 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,2]=4 2379 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,2]=4 2380 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,2]=4 2381 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,2]=4 2382 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,0]=2 2383 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,0]=2 2384 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,0]=2 2385 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|1,0,1]=4 2386 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|1,0,1]=4 2387 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|1,0,1]=4 2388 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|1,0,1]=4 2389 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|1,0,1]=4 2390 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|1,0,1]=4 2391 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 2392 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 2393 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 2394 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,0]=3 2395 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,0]=3 2396 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,0]=3 2397 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,0]=3 2398 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 2399 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,0]=3 2400 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,0]=3 2401 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 2402 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,0]=3 2403 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,0]=3 2404 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|2,0,0]=4 2405 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,0]=3 2406 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,0]=3 2407 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,0]=3 2408 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,0]=3 2409 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,0]=3 2410 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,0]=3 2411 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|2,0,0]=4 2412 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 2413 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 2414 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2415 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|1,0,1]=4 2416 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2417 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|1,0,1]=4 2418 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|1,0,1]=4 2419 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2420 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2421 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,0]=3 2422 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 2423 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,0]=3 2424 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 2425 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,1]=4 2426 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,1]=4 2427 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,1]=4 2428 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,1]=4 2429 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|1,0,1]=4 2430 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|1,0,1]=4 2431 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|1,0,1]=4 2432 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|1,0,1]=4 2433 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|2,0,0]=4 2434 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|2,0,0]=4 2435 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,1,0]=3 2436 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,1,0]=3 2437 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,1,0]=3 2438 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,1,0]=3 2439 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|0,1,0]=3 2440 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|0,1,0]=3 2441 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|0,1,0]=3 2442 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,1,0]=3 2443 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|0,1,1]=4 2444 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|0,1,1]=4 2445 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|0,1,1]=4 2446 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|0,1,1]=4 2447 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|0,1,1]=4 2448 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,1,0,0,0,0|1,1,0]=4 2449 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|0,1,1]=4 2450 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,1,0]=4 2451 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|1,0,1]=4 2452 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|1,0,1]=4 2453 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,0]=2 2454 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,0]=2 2455 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,0]=2 2456 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,0]=2 2457 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|0,0,0]=2 2458 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|0,0,0]=2 2459 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,0]=2 2460 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|0,0,1]=3 2461 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|0,0,1]=3 2462 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|0,0,1]=3 2463 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|0,0,1]=3 2464 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|1,0,1]=4 2465 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|1,0,1]=4 2466 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|1,0,1]=4 2467 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|1,0,1]=4 2468 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|1,0,1]=4 2469 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|1,0,1]=4 2470 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|1,0,1]=4 2471 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 2472 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|1,0,1]=4 2473 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,0]=3 2474 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,0]=3 2475 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|1,0,1]=4 2476 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|1,0,1]=4 2477 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|1,0,1]=4 2478 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|1,0,1]=4 2479 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|1,0,1]=4 2480 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|0,1,1]=4 2481 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|2,0,0]=4 2482 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|2,0,0]=4 2483 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|2,0,0]=4 2484 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|2,0,0]=4 2485 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|2,0,0]=4 2486 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|1,0,1]=4 2487 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|2,0,0]=4 2488 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|0,1,0]=3 2489 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|0,1,0]=3 2490 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,1,0,0,0,0|1,1,0]=4 2491 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|0,0,0]=2 2492 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|0,0,0]=2 2493 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,2,0,0,0,0|1,0,1]=4 2494 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,2,0,0,0,0|1,0,1]=4 2495 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,2,0,0,0,0|1,0,1]=4 2496 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,2,0,0,0,0|1,0,1]=4 2497 B8R0.1 C#CCC(C)OCSC 34a_100000685586_100011218213 [0,2,0,0,0,0|1,0,1]=4 2498 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,2,0,0,0,0|1,0,1]=4 2499 B8R0.1 C#CCN(C)CCSC 2230a_100000225692_100000751147 [0,2,0,0,0,0|1,0,1]=4 2500 B8R0.1 C#CCN(C)CCSC 2230a_100000686725_100000038162 [0,2,0,0,0,0|1,0,1]=4 2501 B8R0.1 C#CCN(C)CCSC 34a_100000225692_100000212216 [0,2,0,0,0,0|1,0,1]=4 2502 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,2,0,0,0,0|1,0,1]=4 2503 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,2,0,0,0,0|1,0,1]=4 2504 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,2,0,0,0,0|1,0,1]=4 2505 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|2,0,0]=4 2506 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|2,0,0]=4 2507 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,2,0,0,0,0|1,1,0]=4 2508 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,2,0,0,0,0|1,1,0]=4 2509 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,2,0,0,0,0|1,0,0]=3 2510 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,2,0,0,0,0|1,0,0]=3 2511 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,2,0,0,0,0|1,0,1]=4 2512 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,2,0,0,0,0|1,1,0]=4 2513 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,2,0,0,0,0|1,1,0]=4 2514 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [0,2,0,0,0,0|1,1,0]=4 2515 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [0,2,0,0,0,0|1,1,0]=4 2516 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|2,0,0]=4 2517 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|2,0,0]=4 2518 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|1,1,0]=4 2519 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,2,0,0,0,0|1,0,0]=3 2520 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,2,0,0,0,0|2,0,0]=4 2521 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,2,0,0,0,0|1,1,0]=4 2522 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,2,0,0,0,0|1,1,0]=4 2523 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [0,2,0,0,0,0|1,1,0]=4 2524 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [0,2,0,0,0,0|1,1,0]=4 2525 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,2,0,0,0,0|1,0,1]=4 2526 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,2,0,0,0,0|1,0,1]=4 2527 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 2528 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2529 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2531 B8R0.1 C=CCCN(C)COC 2230a_100020639649_100000766300 [0,2,0,0,0,0|1,1,0]=4 2532 B8R0.1 C=CCCN(C)COC 269982a_100020639649_100000766300 [0,2,0,0,0,0|1,1,0]=4 2533 B8R0.1 C=CCCN(C)CSC 2230a_100020639649_100011218213 [0,2,0,0,0,0|1,0,0]=3 2534 B8R0.1 C=CCCN(C)CSC 269982a_100020639649_100011218213 [0,2,0,0,0,0|1,0,0]=3 2535 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.1 C=CCN(C)CCOC 2230a_100000225617_100011201679 [0,2,0,0,0,0|1,1,0]=4 2540 B8R0.1 C=CCN(C)CCOC 2230a_100000743101_100000210623 [0,2,0,0,0,0|1,1,0]=4 2541 B8R0.1 C=CCN(C)CCOC 269982a_100000225617_100000233755 [0,2,0,0,0,0|1,1,0]=4 2542 B8R0.1 C=CCN(C)CCOC 269982a_100000743101_100000210623 [0,2,0,0,0,0|1,1,0]=4 2543 B8R0.1 C=CCN(C)CCSC 2230a_100000225617_100000751147 [0,2,0,0,0,0|1,0,0]=3 2544 B8R0.1 C=CCN(C)CCSC 2230a_100000686725_100000210623 [0,2,0,0,0,0|1,0,0]=3 2545 B8R0.1 C=CCN(C)CCSC 269982a_100000225617_100000212216 [0,2,0,0,0,0|1,0,0]=3 2546 B8R0.1 C=CCN(C)CCSC 269982a_100000686725_100000210623 [0,2,0,0,0,0|1,0,0]=3 2547 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2548 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2549 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,2,0,0,0,0|1,0,1]=4 2550 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,2,0,0,0,0|1,0,1]=4 2551 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,2,0,0,0,0|1,0,1]=4 2552 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,2,0,0,0,0|1,0,1]=4 2553 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,2,0,0,0,0|1,0,1]=4 2554 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,2,0,0,0,0|2,0,0]=4 2556 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,2,0,0,0,0|1,1,0]=4 2558 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,2,0,0,0,0|1,1,0]=4 2559 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [0,2,0,0,0,0|1,0,0]=3 2560 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,2,0,0,0,0|1,1,0]=4 2561 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,2,0,0,0,0|1,0,1]=4 2562 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,2,0,0,0,0|1,0,1]=4 2563 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,2,0,0,0,0|1,0,1]=4 2564 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,2,0,0,0,0|1,0,1]=4 2565 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,2,0,0,0,0|2,0,0]=4 2566 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,2,0,0,0,0|2,0,0]=4 2568 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,2,0,0,0,0|1,1,0]=4 2569 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,2,0,0,0,0|1,1,0]=4 2570 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,2,0,0,0,0|2,0,0]=4 2571 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,2,0,0,0,0|1,1,0]=4 2573 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,2,0,0,0,0|1,1,0]=4 2574 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,2,0,0,0,0|1,0,1]=4 2575 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,2,0,0,0,0|1,0,1]=4 2576 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,2,0,0,0,0|2,0,0]=4 2577 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,2,0,0,0,0|2,0,0]=4 2578 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,2,0,0,0,0|1,0,0]=3 2579 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,2,0,0,0,0|1,1,0]=4 2580 B8R0.1 C=CC[C@@H](N)COCF 34a_100020615467_100015361967 [0,2,0,0,0,0|1,1,0]=4 2581 B8R0.1 CC#CC(C)OCC=O 34a_100011216543_200009817547 [0,2,0,0,0,0|1,0,1]=4 2582 B8R0.1 CC(CC#N)SCC=O 62a_100009813641_200015260668 [0,2,0,0,0,0|2,0,0]=4 2583 B8R0.1 CC(CC#N)SCC=O 62a_200015260668_100009813641 [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,2,0,0,0,0|2,0,0]=4 2586 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,2,0,0,0,0|2,0,0]=4 2587 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,2,0,0,0,0|1,0,1]=4 2588 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,2,0,0,0,0|1,0,1]=4 2589 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|1,0,1]=4 2590 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|1,0,1]=4 2591 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,2,0,0,0,0|1,0,1]=4 2592 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,2,0,0,0,0|1,0,1]=4 2594 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|1,0,0]=3 2596 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,2,0,0,0,0|1,0,1]=4 2597 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|1,0,0]=3 2598 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|1,0,0]=3 2599 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|1,0,1]=4 2600 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|1,0,0]=3 2601 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|1,0,0]=3 2602 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,2,0,0,0,0|1,0,1]=4 2603 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,2,0,0,0,0|1,0,1]=4 2604 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|1,0,1]=4 2605 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,2,0,0,0,0|1,0,1]=4 2606 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,2,0,0,0,0|1,0,1]=4 2607 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,2,0,0,0,0|1,0,1]=4 2608 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,2,0,0,0,0|1,0,1]=4 2609 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|1,0,0]=3 2610 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|1,0,0]=3 2611 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,2,0,0,0,0|1,0,1]=4 2612 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,2,0,0,0,0|1,0,1]=4 2613 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,2,0,0,0,0|1,0,1]=4 2614 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,2,0,0,0,0|1,0,1]=4 2615 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,2,0,0,0,0|1,0,1]=4 2616 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,2,0,0,0,0|1,0,1]=4 2617 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|1,0,1]=4 2618 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,2,0,0,0,0|1,0,1]=4 2619 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000001066_100000210202 [0,2,0,0,0,0|1,0,1]=4 2622 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000210202_100000001066 [0,2,0,0,0,0|1,0,1]=4 2623 B8R0.1 CN(CC=O)CCC#N 2230a_100000184479_200015260668 [0,2,0,0,0,0|2,0,0]=4 2624 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|2,0,0]=4 2625 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|2,0,0]=4 2627 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,2,0,0,0,0|0,1,0]=3 2628 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,2,0,0,0,0|0,1,0]=3 2629 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,2,0,0,0,0|2,0,0]=4 2630 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,2,0,0,0,0|2,0,0]=4 2632 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,2,0,0,0,0|2,0,0]=4 2633 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|2,0,0]=4 2634 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,2,0,0,0,0|0,1,0]=3 2635 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,2,0,0,0,0|0,1,0]=3 2636 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,2,0,0,0,0|2,0,0]=4 2639 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,2,0,0,0,0|2,0,0]=4 2640 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,2,0,0,0,0|0,1,0]=3 2641 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,2,0,0,0,0|2,0,0]=4 2642 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,2,0,0,0,0|0,1,0]=3 2643 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,2,0,0,0,0|2,0,0]=4 2644 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,2,0,0,0,0|0,0,2]=4 2645 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,2,0,0,0,0|1,0,1]=4 2646 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|1,0,1]=4 2647 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|0,0,2]=4 2648 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,2,0,0,0,0|0,0,2]=4 2649 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,2,0,0,0,0|1,0,1]=4 2650 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,2,0,0,0,0|1,0,1]=4 2651 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,2,0,0,0,0|1,0,1]=4 2652 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,2,0,0,0,0|1,0,1]=4 2653 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,2,0,0,0,0|1,0,1]=4 2654 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|1,0,1]=4 2655 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|0,0,2]=4 2656 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|0,0,2]=4 2657 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.1 CSCCN(C)CC#N 2230a_100000686725_100011215382 [0,2,0,0,0,0|1,0,1]=4 2659 B8R0.1 CSCCN(C)CC#N 2230a_100000748184_100000751147 [0,2,0,0,0,0|1,0,1]=4 2660 B8R0.1 CSCCN(C)CC#N 269982a_100000686725_100011214920 [0,2,0,0,0,0|1,0,1]=4 2661 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,2,0,0,0,0|0,0,0]=2 2662 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,2,0,0,0,0|0,0,0]=2 2663 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,2,0,0,0,0|1,0,1]=4 2664 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,2,0,0,0,0|1,0,1]=4 2665 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,2,0,0,0,0|0,0,2]=4 2666 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,2,0,0,0,0|0,0,2]=4 2667 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,2,0,0,0,0|0,0,2]=4 2668 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,2,0,0,0,0|0,0,2]=4 2669 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,2,0,0,0,0|2,0,0]=4 2671 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,2,0,0,0,0|0,0,2]=4 2672 B8R0.1 CSCN(C)CCC#N 2230a_100000184479_100011218213 [0,2,0,0,0,0|1,0,1]=4 2673 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,2,0,0,0,0|0,0,2]=4 2674 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,2,0,0,0,0|0,0,2]=4 2675 B8R0.1 CSCN[C@@H](C)CC#N 2230a_100016994482_100011218213 [0,2,0,0,0,0|1,0,1]=4 2676 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,2,0,0,0,0|0,0,2]=4 2677 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,2,0,0,0,0|0,0,2]=4 2678 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,2,0,0,0,0|1,0,1]=4 2679 B8R0.1 CSCSC(C)CC#N 62a_100009813641_100011218213 [0,2,0,0,0,0|1,0,1]=4 2680 B8R0.1 CSCSC(C)CC#N 62a_100011218213_100009813641 [0,2,0,0,0,0|1,0,1]=4 2681 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,2,0,0,0,0|0,0,2]=4 2682 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,2,0,0,0,0|0,0,2]=4 2683 B8R0.1 C[C@@H](CC#N)NCC=O 2230a_100016994482_200015260668 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|2,0,0]=4 2686 B8R0.1 N#CC[C@H](O)CSCF 62a_100000001066_100015361967 [0,2,0,0,0,0|1,0,1]=4 2687 B8R0.1 N#CC[C@H](O)CSCF 62a_100015361967_100000001066 [0,2,0,0,0,0|1,0,1]=4 2688 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,2,0,0,0,0|1,0,1]=4 2689 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,2,0,0,0,0|1,0,1]=4 2690 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,2,0,0,0,0|1,0,1]=4 2691 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,2,0,0,0,0|1,0,1]=4 2692 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,2,0,0,0,0|1,0,1]=4 2693 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,2,0,0,0,0|1,0,1]=4 2694 B8R0.4 C#CCCCCSCF 62a_100010269958_100015361967 [0,2,0,0,0,0|1,0,1]=4 2695 B8R0.4 C#CCCCCSCF 62a_100015361967_100010269958 [0,2,0,0,0,0|1,0,1]=4 2696 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [0,2,0,0,0,0|1,0,1]=4 2697 B8R0.4 C#CCCCNCSC 34a_100000718082_100011218213 [0,2,0,0,0,0|1,0,1]=4 2698 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [0,2,0,0,0,0|1,0,1]=4 2699 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [0,2,0,0,0,0|1,0,1]=4 2700 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [0,2,0,0,0,0|1,0,1]=4 2701 B8R0.4 C#CCCCSCC#C 62a_100000038162_100011215417 [0,2,0,0,0,0|1,0,1]=4 2702 B8R0.4 C#CCCCSCC#N 62a_100011215382_100011215417 [0,2,0,0,0,0|1,0,1]=4 2703 B8R0.4 C#CCCCSCC#N 62a_100011215417_100011215382 [0,2,0,0,0,0|1,0,1]=4 2704 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [0,2,0,0,0,0|1,0,1]=4 2705 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [0,2,0,0,0,0|1,0,1]=4 2706 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [0,2,0,0,0,0|1,0,1]=4 2707 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [0,2,0,0,0,0|1,0,1]=4 2708 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,2,0,0,0,0|1,0,1]=4 2709 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,2,0,0,0,0|1,0,1]=4 2710 B8R0.4 C#CCCCSCCF 62a_100011215417_100011217306 [0,2,0,0,0,0|1,0,1]=4 2711 B8R0.4 C#CCCCSCCF 62a_100011217306_100011215417 [0,2,0,0,0,0|1,0,1]=4 2712 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,2,0,0,0,0|1,0,1]=4 2713 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,2,0,0,0,0|1,0,1]=4 2714 B8R0.4 C#CCCCSCOC 62a_100000766300_100011215417 [0,2,0,0,0,0|1,0,1]=4 2715 B8R0.4 C#CCCCSCOC 62a_100011215417_100000766300 [0,2,0,0,0,0|1,0,1]=4 2716 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,2,0,0,0,0|1,0,1]=4 2717 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,2,0,0,0,0|1,0,1]=4 2718 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,2,0,0,0,0|1,0,1]=4 2719 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,2,0,0,0,0|1,0,1]=4 2720 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [0,2,0,0,0,0|1,0,1]=4 2721 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [0,2,0,0,0,0|1,0,1]=4 2722 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [0,2,0,0,0,0|1,0,1]=4 2723 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,2,0,0,0,0|1,0,1]=4 2724 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,2,0,0,0,0|1,0,1]=4 2725 B8R0.4 C#CCNCCCC=C 2230a_100000700776_100000038162 [0,2,0,0,0,0|2,0,0]=4 2726 B8R0.4 C#CCNCCCC=C 34a_100000212058_100000757094 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.4 C#CCNCCCC=C 34a_100000700776_100000184674 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.4 C#CCNCCCSC 2230a_100000749238_100000038162 [0,2,0,0,0,0|1,0,1]=4 2729 B8R0.4 C#CCNCCSCC 2230a_100000106463_100000038162 [0,2,0,0,0,0|1,0,1]=4 2730 B8R0.4 C#CCNCCSCC 34a_100000212058_100000757381 [0,2,0,0,0,0|1,0,1]=4 2731 B8R0.4 C#CCOCCCC=C 34a_100000210247_100000757094 [0,2,0,0,0,0|1,1,0]=4 2732 B8R0.4 C#CCOCCCC=C 34a_100000758997_100000184674 [0,2,0,0,0,0|1,1,0]=4 2733 B8R0.4 C#CCOCCCC=C 7a_100000758997_100000038162 [0,2,0,0,0,0|1,1,0]=4 2734 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [0,2,0,0,0,0|1,0,1]=4 2735 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [0,2,0,0,0,0|1,0,1]=4 2736 B8R0.4 C#CCOCCSCC 34a_100000210247_100000757381 [0,2,0,0,0,0|1,0,1]=4 2737 B8R0.4 C#CCOCCSCC 34a_100000212035_100000184674 [0,2,0,0,0,0|1,0,1]=4 2738 B8R0.4 C#CCOCCSCC 62a_100000210202_100010402529 [0,2,0,0,0,0|1,0,1]=4 2739 B8R0.4 C#CCOCCSCC 62a_100010402529_100000210202 [0,2,0,0,0,0|1,0,1]=4 2740 B8R0.4 C#CCOCCSCC 7a_100000212035_100000038162 [0,2,0,0,0,0|1,0,1]=4 2741 B8R0.4 C#CCOCCSCF 62a_100010402529_100015361967 [0,2,0,0,0,0|1,0,1]=4 2742 B8R0.4 C#CCOCCSCF 62a_100015361967_100010402529 [0,2,0,0,0,0|1,0,1]=4 2743 B8R0.4 C#CCSCCCC#N 62a_100000038162_100000687738 [0,2,0,0,0,0|1,0,1]=4 2744 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [0,2,0,0,0,0|1,0,0]=3 2745 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [0,2,0,0,0,0|0,0,0]=2 2746 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,2,0,0,0,0|1,0,1]=4 2747 B8R0.4 C#CCSCCCCF 62a_100000038162_100000729493 [0,2,0,0,0,0|1,0,1]=4 2748 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [0,2,0,0,0,0|0,0,2]=4 2749 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.4 C#CCSCCOC=C 62a_100000038162_100000039644 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.4 C#CCSCCSCC 62a_100000038162_100000757381 [0,2,0,0,0,0|1,0,1]=4 2752 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [0,2,0,0,0,0|1,0,0]=3 2753 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [0,2,0,0,0,0|1,0,0]=3 2755 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [0,2,0,0,0,0|1,1,0]=4 2760 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [0,2,0,0,0,0|1,1,0]=4 2761 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,2,0,0,0,0|1,0,0]=3 2762 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,2,0,0,0,0|1,0,0]=3 2763 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,2,0,0,0,0|1,0,0]=3 2764 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,2,0,0,0,0|2,0,0]=4 2766 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,2,0,0,0,0|1,1,0]=4 2767 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,2,0,0,0,0|1,1,0]=4 2768 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,2,0,0,0,0|1,0,0]=3 2769 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,2,0,0,0,0|1,0,0]=3 2770 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,2,0,0,0,0|1,1,0]=4 2774 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,2,0,0,0,0|1,1,0]=4 2775 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,2,0,0,0,0|1,1,0]=4 2776 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,2,0,0,0,0|1,1,0]=4 2777 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,2,0,0,0,0|1,1,0]=4 2778 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,2,0,0,0,0|1,0,0]=3 2779 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,2,0,0,0,0|1,0,0]=3 2780 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,2,0,0,0,0|1,0,0]=3 2781 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,2,0,0,0,0|1,0,0]=3 2782 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,2,0,0,0,0|2,0,0]=4 2784 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,2,0,0,0,0|2,0,0]=4 2785 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,2,0,0,0,0|2,0,0]=4 2786 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,2,0,0,0,0|1,1,0]=4 2787 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,2,0,0,0,0|1,1,0]=4 2788 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,2,0,0,0,0|1,1,0]=4 2789 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,2,0,0,0,0|1,1,0]=4 2790 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,2,0,0,0,0|1,1,0]=4 2791 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,2,0,0,0,0|1,0,0]=3 2792 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,2,0,0,0,0|1,0,0]=3 2793 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,2,0,0,0,0|1,0,0]=3 2794 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,2,0,0,0,0|1,0,0]=3 2795 B8R0.4 C=CCCCNCC#N 2230a_100000700776_100011215382 [0,2,0,0,0,0|2,0,0]=4 2796 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [0,2,0,0,0,0|2,0,0]=4 2797 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [0,2,0,0,0,0|2,0,0]=4 2798 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [0,2,0,0,0,0|2,0,0]=4 2799 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,2,0,0,0,0|1,0,1]=4 2800 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,2,0,0,0,0|1,0,1]=4 2801 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,2,0,0,0,0|2,0,0]=4 2802 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,2,0,0,0,0|2,0,0]=4 2803 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,2,0,0,0,0|2,0,0]=4 2804 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,2,0,0,0,0|2,0,0]=4 2805 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,2,0,0,0,0|2,0,0]=4 2807 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,2,0,0,0,0|2,0,0]=4 2808 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,2,0,0,0,0|2,0,0]=4 2810 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,2,0,0,0,0|1,1,0]=4 2811 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,2,0,0,0,0|1,0,0]=3 2812 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,2,0,0,0,0|1,0,0]=3 2813 B8R0.4 C=CCCCOCC#N 7a_100000758997_100011215382 [0,2,0,0,0,0|1,1,0]=4 2814 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [0,2,0,0,0,0|1,1,0]=4 2815 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [0,2,0,0,0,0|1,1,0]=4 2816 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [0,2,0,0,0,0|1,1,0]=4 2817 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,2,0,0,0,0|1,0,1]=4 2818 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,2,0,0,0,0|1,0,1]=4 2819 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,2,0,0,0,0|1,1,0]=4 2820 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,2,0,0,0,0|1,1,0]=4 2821 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,2,0,0,0,0|1,1,0]=4 2822 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,2,0,0,0,0|1,1,0]=4 2823 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,2,0,0,0,0|1,1,0]=4 2824 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,2,0,0,0,0|1,1,0]=4 2825 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,2,0,0,0,0|1,1,0]=4 2826 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,2,0,0,0,0|1,1,0]=4 2827 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,2,0,0,0,0|1,1,0]=4 2828 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,2,0,0,0,0|1,0,0]=3 2829 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [0,2,0,0,0,0|1,0,0]=3 2830 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [0,2,0,0,0,0|1,0,0]=3 2831 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [0,2,0,0,0,0|1,0,0]=3 2832 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [0,2,0,0,0,0|1,0,0]=3 2833 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,2,0,0,0,0|1,0,0]=3 2834 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,2,0,0,0,0|1,0,0]=3 2835 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,2,0,0,0,0|1,0,0]=3 2836 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,2,0,0,0,0|1,0,0]=3 2837 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,2,0,0,0,0|1,0,0]=3 2838 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,2,0,0,0,0|1,0,0]=3 2839 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,2,0,0,0,0|1,0,0]=3 2840 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,2,0,0,0,0|1,0,0]=3 2841 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,2,0,0,0,0|1,0,0]=3 2842 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,2,0,0,0,0|1,0,0]=3 2843 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,2,0,0,0,0|1,0,0]=3 2844 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,2,0,0,0,0|1,0,0]=3 2845 B8R0.4 C=CCCNCC#CC 2230a_100000685387_100000754431 [0,2,0,0,0,0|2,0,0]=4 2846 B8R0.4 C=CCCNCC#CC 2230a_100015191253_100000748600 [0,2,0,0,0,0|2,0,0]=4 2847 B8R0.4 C=CCCNCC#CC 34a_100000685387_100000754431 [0,2,0,0,0,0|2,0,0]=4 2848 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [0,2,0,0,0,0|2,0,0]=4 2849 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,2,0,0,0,0|2,0,0]=4 2850 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,2,0,0,0,0|2,0,0]=4 2851 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,2,0,0,0,0|2,0,0]=4 2852 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,2,0,0,0,0|2,0,0]=4 2853 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,2,0,0,0,0|2,0,0]=4 2854 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,2,0,0,0,0|2,0,0]=4 2856 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,2,0,0,0,0|1,1,0]=4 2857 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,2,0,0,0,0|1,1,0]=4 2858 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,2,0,0,0,0|1,0,0]=3 2859 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,2,0,0,0,0|1,0,0]=3 2860 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [0,2,0,0,0,0|2,0,0]=4 2862 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,2,0,0,0,0|2,0,0]=4 2868 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,2,0,0,0,0|2,0,0]=4 2871 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,2,0,0,0,0|2,0,0]=4 2873 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,2,0,0,0,0|2,0,0]=4 2874 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,2,0,0,0,0|1,1,0]=4 2875 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,2,0,0,0,0|1,1,0]=4 2876 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,2,0,0,0,0|1,0,0]=3 2877 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,2,0,0,0,0|1,0,0]=3 2878 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,2,0,0,0,0|1,0,0]=3 2879 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [0,2,0,0,0,0|2,0,0]=4 2880 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [0,2,0,0,0,0|2,0,0]=4 2881 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [0,2,0,0,0,0|2,0,0]=4 2882 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [0,2,0,0,0,0|2,0,0]=4 2883 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [0,2,0,0,0,0|2,0,0]=4 2884 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [0,2,0,0,0,0|2,0,0]=4 2885 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,2,0,0,0,0|2,0,0]=4 2886 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,2,0,0,0,0|2,0,0]=4 2887 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,2,0,0,0,0|2,0,0]=4 2888 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,2,0,0,0,0|2,0,0]=4 2889 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,2,0,0,0,0|2,0,0]=4 2890 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,2,0,0,0,0|2,0,0]=4 2891 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,2,0,0,0,0|1,1,0]=4 2892 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,2,0,0,0,0|1,1,0]=4 2893 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,2,0,0,0,0|1,0,0]=3 2894 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,2,0,0,0,0|1,0,0]=3 2895 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,2,0,0,0,0|1,1,0]=4 2896 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,2,0,0,0,0|1,1,0]=4 2897 B8R0.4 C=CCCSCSC#N 62a_100000211825_100000754431 [0,2,0,0,0,0|1,0,1]=4 2898 B8R0.4 C=CCCSCSC#N 62a_100000754431_100000211825 [0,2,0,0,0,0|1,0,1]=4 2899 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,2,0,0,0,0|1,0,0]=3 2900 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,2,0,0,0,0|2,0,0]=4 2901 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,2,0,0,0,0|2,0,0]=4 2902 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,2,0,0,0,0|2,0,0]=4 2903 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,2,0,0,0,0|2,0,0]=4 2905 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,2,0,0,0,0|2,0,0]=4 2906 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,2,0,0,0,0|1,1,0]=4 2907 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,2,0,0,0,0|1,1,0]=4 2908 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,2,0,0,0,0|1,0,0]=3 2909 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,2,0,0,0,0|1,1,0]=4 2910 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,2,0,0,0,0|1,1,0]=4 2911 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,2,0,0,0,0|1,1,0]=4 2912 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,2,0,0,0,0|1,0,0]=3 2913 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [0,2,0,0,0,0|2,0,0]=4 2915 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [0,2,0,0,0,0|2,0,0]=4 2916 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,2,0,0,0,0|2,0,0]=4 2917 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,2,0,0,0,0|2,0,0]=4 2918 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,2,0,0,0,0|2,0,0]=4 2919 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,2,0,0,0,0|2,0,0]=4 2920 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,2,0,0,0,0|2,0,0]=4 2921 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,2,0,0,0,0|2,0,0]=4 2922 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,2,0,0,0,0|2,0,0]=4 2924 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,2,0,0,0,0|2,0,0]=4 2925 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,2,0,0,0,0|2,0,0]=4 2926 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,2,0,0,0,0|2,0,0]=4 2927 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,2,0,0,0,0|2,0,0]=4 2928 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,2,0,0,0,0|2,0,0]=4 2929 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,2,0,0,0,0|1,1,0]=4 2930 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,2,0,0,0,0|1,1,0]=4 2931 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,2,0,0,0,0|1,0,0]=3 2932 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,2,0,0,0,0|1,0,0]=3 2933 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,2,0,0,0,0|1,1,0]=4 2934 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,2,0,0,0,0|1,1,0]=4 2935 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,2,0,0,0,0|1,1,0]=4 2936 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,2,0,0,0,0|1,1,0]=4 2937 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,2,0,0,0,0|1,1,0]=4 2938 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [0,2,0,0,0,0|1,1,0]=4 2939 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [0,2,0,0,0,0|1,1,0]=4 2940 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,2,0,0,0,0|1,0,0]=3 2941 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,2,0,0,0,0|1,0,0]=3 2942 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,2,0,0,0,0|1,0,0]=3 2943 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [0,2,0,0,0,0|1,0,1]=4 2944 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [0,2,0,0,0,0|1,0,1]=4 2945 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,2,0,0,0,0|0,0,0]=2 2946 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,2,0,0,0,0|0,0,0]=2 2947 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,2,0,0,0,0|1,0,1]=4 2948 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,2,0,0,0,0|1,0,1]=4 2949 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,2,0,0,0,0|1,0,1]=4 2950 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,2,0,0,0,0|1,0,1]=4 2951 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,2,0,0,0,0|0,0,2]=4 2952 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,2,0,0,0,0|0,0,2]=4 2953 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,2,0,0,0,0|1,1,0]=4 2954 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,2,0,0,0,0|1,1,0]=4 2955 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [0,2,0,0,0,0|2,0,0]=4 2956 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [0,2,0,0,0,0|2,0,0]=4 2957 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,2,0,0,0,0|1,1,0]=4 2958 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,2,0,0,0,0|1,1,0]=4 2959 B8R0.4 C=CCSCCSC#N 62a_100000034367_100000210623 [0,2,0,0,0,0|1,0,1]=4 2960 B8R0.4 C=CCSCCSC#N 62a_100000210623_100000034367 [0,2,0,0,0,0|1,0,1]=4 2961 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,2,0,0,0,0|1,0,0]=3 2962 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,2,0,0,0,0|1,0,0]=3 2963 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,2,0,0,0,0|1,1,0]=4 2964 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,2,0,0,0,0|1,1,0]=4 2965 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,2,0,0,0,0|1,1,0]=4 2966 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,2,0,0,0,0|1,1,0]=4 2967 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,2,0,0,0,0|2,0,0]=4 2968 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,2,0,0,0,0|2,0,0]=4 2969 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [0,2,0,0,0,0|2,0,0]=4 2970 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [0,2,0,0,0,0|0,1,1]=4 2971 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,2,0,0,0,0|2,0,0]=4 2972 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,2,0,0,0,0|2,0,0]=4 2973 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,2,0,0,0,0|1,0,0]=3 2974 B8R0.4 C=COCCSCC#N 62a_100000039644_100011215382 [0,2,0,0,0,0|2,0,0]=4 2975 B8R0.4 C=COCCSCC#N 62a_100011215382_100000039644 [0,2,0,0,0,0|2,0,0]=4 2976 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [0,2,0,0,0,0|0,1,1]=4 2977 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [0,2,0,0,0,0|0,1,1]=4 2978 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,2,0,0,0,0|2,0,0]=4 2979 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,2,0,0,0,0|2,0,0]=4 2980 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,2,0,0,0,0|2,0,0]=4 2981 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,2,0,0,0,0|2,0,0]=4 2982 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,2,0,0,0,0|2,0,0]=4 2983 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,2,0,0,0,0|2,0,0]=4 2984 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [0,2,0,0,0,0|1,1,0]=4 2985 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [0,2,0,0,0,0|1,1,0]=4 2986 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,2,0,0,0,0|1,0,0]=3 2987 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,2,0,0,0,0|1,0,0]=3 2988 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [0,2,0,0,0,0|1,0,0]=3 2989 B8R0.4 CC#CCCOCSC 34a_100000750427_100011218213 [0,2,0,0,0,0|1,0,1]=4 2990 B8R0.4 CC#CCNCCSC 2230a_100000685387_100000751147 [0,2,0,0,0,0|1,0,1]=4 2991 B8R0.4 CC#CCNCCSC 2230a_100020590264_100000748600 [0,2,0,0,0,0|1,0,1]=4 2992 B8R0.4 CC#CCNCCSC 34a_100000685387_100000212216 [0,2,0,0,0,0|1,0,1]=4 2993 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [0,2,0,0,0,0|1,0,1]=4 2994 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [0,2,0,0,0,0|1,0,1]=4 2995 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [0,2,0,0,0,0|1,0,1]=4 2996 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [0,2,0,0,0,0|1,0,1]=4 2997 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [0,2,0,0,0,0|1,0,1]=4 2998 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,2,0,0,0,0|1,1,0]=4 2999 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,2,0,0,0,0|1,1,0]=4 3000 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,2,0,0,0,0|1,1,0]=4 3001 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,2,0,0,0,0|1,1,0]=4 3002 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,2,0,0,0,0|1,0,1]=4 3003 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,2,0,0,0,0|1,0,1]=4 3004 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [0,2,0,0,0,0|1,0,1]=4 3005 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [0,2,0,0,0,0|1,0,1]=4 3006 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,2,0,0,0,0|1,0,1]=4 3007 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [0,2,0,0,0,0|1,0,1]=4 3008 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,2,0,0,0,0|1,0,1]=4 3009 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,2,0,0,0,0|1,0,1]=4 3010 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [0,2,0,0,0,0|1,0,1]=4 3011 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [0,2,0,0,0,0|1,0,1]=4 3012 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,2,0,0,0,0|1,1,0]=4 3013 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [0,2,0,0,0,0|1,1,0]=4 3014 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,2,0,0,0,0|2,0,0]=4 3015 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,2,0,0,0,0|2,0,0]=4 3016 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [0,2,0,0,0,0|1,1,0]=4 3017 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,2,0,0,0,0|1,0,0]=3 3018 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [0,2,0,0,0,0|1,1,0]=4 3021 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,2,0,0,0,0|1,0,0]=3 3022 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,2,0,0,0,0|1,0,0]=3 3023 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,2,0,0,0,0|1,1,0]=4 3026 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,2,0,0,0,0|1,1,0]=4 3027 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,2,0,0,0,0|1,0,0]=3 3028 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,2,0,0,0,0|1,0,0]=3 3029 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,2,0,0,0,0|2,0,0]=4 3030 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [0,2,0,0,0,0|1,0,1]=4 3031 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [0,2,0,0,0,0|1,0,1]=4 3032 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [0,2,0,0,0,0|1,0,1]=4 3033 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,2,0,0,0,0|1,0,1]=4 3034 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,2,0,0,0,0|1,0,1]=4 3035 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,2,0,0,0,0|1,0,1]=4 3036 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,2,0,0,0,0|1,0,1]=4 3037 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,2,0,0,0,0|1,0,1]=4 3038 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,2,0,0,0,0|1,0,1]=4 3039 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,2,0,0,0,0|1,0,1]=4 3040 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,2,0,0,0,0|1,0,1]=4 3041 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,2,0,0,0,0|1,0,0]=3 3042 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,2,0,0,0,0|1,0,1]=4 3043 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,2,0,0,0,0|1,0,0]=3 3044 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,2,0,0,0,0|1,0,0]=3 3045 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,2,0,0,0,0|1,0,1]=4 3046 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,2,0,0,0,0|1,0,1]=4 3047 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,2,0,0,0,0|1,0,1]=4 3048 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,2,0,0,0,0|1,0,0]=3 3049 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,2,0,0,0,0|1,0,0]=3 3050 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,2,0,0,0,0|1,0,1]=4 3051 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,2,0,0,0,0|1,0,1]=4 3052 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,2,0,0,0,0|1,0,1]=4 3053 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,2,0,0,0,0|1,0,1]=4 3054 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,2,0,0,0,0|1,0,1]=4 3055 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,2,0,0,0,0|1,0,1]=4 3056 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,2,0,0,0,0|1,0,1]=4 3057 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,2,0,0,0,0|1,0,1]=4 3058 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,2,0,0,0,0|1,0,1]=4 3059 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,2,0,0,0,0|1,0,1]=4 3060 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,2,0,0,0,0|1,0,1]=4 3061 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,2,0,0,0,0|1,0,1]=4 3062 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,2,0,0,0,0|1,0,1]=4 3063 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,2,0,0,0,0|1,0,1]=4 3064 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,2,0,0,0,0|1,0,1]=4 3065 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,2,0,0,0,0|1,0,1]=4 3066 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,2,0,0,0,0|1,0,1]=4 3067 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,2,0,0,0,0|1,0,1]=4 3068 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,2,0,0,0,0|1,0,1]=4 3069 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,2,0,0,0,0|1,0,1]=4 3070 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,2,0,0,0,0|1,0,1]=4 3071 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,2,0,0,0,0|1,0,1]=4 3072 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,2,0,0,0,0|1,0,1]=4 3073 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,2,0,0,0,0|1,0,1]=4 3074 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,2,0,0,0,0|1,0,1]=4 3075 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,2,0,0,0,0|1,0,1]=4 3076 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,2,0,0,0,0|1,0,1]=4 3077 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,2,0,0,0,0|1,0,1]=4 3078 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,2,0,0,0,0|1,0,1]=4 3079 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,2,0,0,0,0|1,0,1]=4 3080 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,2,0,0,0,0|1,0,1]=4 3081 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,2,0,0,0,0|1,0,1]=4 3082 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,2,0,0,0,0|1,0,1]=4 3083 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,2,0,0,0,0|1,0,1]=4 3084 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,2,0,0,0,0|1,0,1]=4 3085 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,2,0,0,0,0|1,0,1]=4 3086 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,2,0,0,0,0|1,0,1]=4 3087 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,2,0,0,0,0|1,0,1]=4 3088 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,2,0,0,0,0|1,0,1]=4 3089 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,2,0,0,0,0|1,0,1]=4 3090 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,2,0,0,0,0|0,0,0]=2 3091 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,2,0,0,0,0|0,0,0]=2 3092 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,2,0,0,0,0|1,0,1]=4 3093 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,2,0,0,0,0|1,0,1]=4 3094 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,2,0,0,0,0|0,0,2]=4 3095 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,2,0,0,0,0|0,0,2]=4 3096 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,2,0,0,0,0|2,0,0]=4 3097 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,2,0,0,0,0|2,0,0]=4 3098 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,2,0,0,0,0|1,0,1]=4 3099 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,2,0,0,0,0|1,0,1]=4 3100 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,2,0,0,0,0|1,0,0]=3 3101 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,2,0,0,0,0|0,0,2]=4 3102 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,2,0,0,0,0|0,0,2]=4 3103 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,2,0,0,0,0|1,0,1]=4 3104 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,2,0,0,0,0|1,0,1]=4 3105 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,2,0,0,0,0|1,0,1]=4 3106 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,2,0,0,0,0|1,0,1]=4 3107 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,2,0,0,0,0|1,0,1]=4 3108 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,2,0,0,0,0|1,0,1]=4 3109 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,2,0,0,0,0|0,1,0]=3 3110 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,2,0,0,0,0|0,1,0]=3 3111 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,2,0,0,0,0|1,0,1]=4 3112 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,2,0,0,0,0|1,0,1]=4 3113 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,2,0,0,0,0|0,1,0]=3 3114 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,2,0,0,0,0|0,1,0]=3 3115 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,2,0,0,0,0|1,0,1]=4 3116 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,2,0,0,0,0|0,1,0]=3 3117 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,2,0,0,0,0|0,1,0]=3 3118 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,2,0,0,0,0|1,0,1]=4 3119 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,2,0,0,0,0|1,0,1]=4 3120 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,2,0,0,0,0|1,0,1]=4 3121 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,2,0,0,0,0|1,0,1]=4 3122 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,2,0,0,0,0|1,0,1]=4 3123 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,2,0,0,0,0|1,0,1]=4 3124 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,2,0,0,0,0|0,0,0]=2 3125 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,2,0,0,0,0|0,0,0]=2 3126 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,2,0,0,0,0|1,0,1]=4 3127 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,2,0,0,0,0|1,0,1]=4 3128 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,2,0,0,0,0|0,0,2]=4 3129 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,2,0,0,0,0|0,0,2]=4 3130 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,2,0,0,0,0|0,0,2]=4 3131 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,2,0,0,0,0|0,0,2]=4 3132 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,2,0,0,0,0|1,0,1]=4 3133 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,2,0,0,0,0|1,0,1]=4 3134 B8R0.4 CCSCCNCC#N 2230a_100000106463_100011215382 [0,2,0,0,0,0|1,0,1]=4 3135 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,2,0,0,0,0|0,0,0]=2 3136 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,2,0,0,0,0|1,0,1]=4 3137 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,2,0,0,0,0|1,0,1]=4 3138 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,2,0,0,0,0|0,0,2]=4 3139 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,2,0,0,0,0|0,0,2]=4 3140 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,2,0,0,0,0|0,0,2]=4 3141 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,2,0,0,0,0|2,0,0]=4 3142 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,2,0,0,0,0|1,0,1]=4 3143 B8R0.4 CCSCCOCC#N 62a_100000210202_200000047693 [0,2,0,0,0,0|1,0,1]=4 3144 B8R0.4 CCSCCOCC#N 62a_200000047693_100000210202 [0,2,0,0,0,0|1,0,1]=4 3145 B8R0.4 CCSCCOCC#N 7a_100000212035_100011215382 [0,2,0,0,0,0|1,0,1]=4 3146 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,2,0,0,0,0|0,0,0]=2 3147 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,2,0,0,0,0|0,0,0]=2 3148 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [0,2,0,0,0,0|1,0,1]=4 3149 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [0,2,0,0,0,0|1,0,1]=4 3150 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [0,2,0,0,0,0|1,0,1]=4 3151 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [0,2,0,0,0,0|1,0,1]=4 3152 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,2,0,0,0,0|0,0,2]=4 3153 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,2,0,0,0,0|0,0,2]=4 3154 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,2,0,0,0,0|0,0,2]=4 3155 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,2,0,0,0,0|0,0,2]=4 3156 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,2,0,0,0,0|1,0,1]=4 3157 B8R0.4 CCSCCSCC#N 62a_100000757381_100011215382 [0,2,0,0,0,0|1,0,1]=4 3158 B8R0.4 CCSCCSCC#N 62a_100011215382_100000757381 [0,2,0,0,0,0|1,0,1]=4 3159 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,2,0,0,0,0|0,0,0]=2 3160 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,2,0,0,0,0|0,0,0]=2 3161 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,2,0,0,0,0|1,0,1]=4 3162 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,2,0,0,0,0|1,0,1]=4 3163 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,2,0,0,0,0|0,0,2]=4 3164 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,2,0,0,0,0|0,0,2]=4 3165 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,2,0,0,0,0|2,0,0]=4 3166 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,2,0,0,0,0|2,0,0]=4 3167 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,2,0,0,0,0|1,0,1]=4 3168 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,2,0,0,0,0|1,0,1]=4 3169 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,2,0,0,0,0|2,0,0]=4 3170 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,2,0,0,0,0|2,0,0]=4 3171 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,2,0,0,0,0|1,0,0]=3 3172 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,2,0,0,0,0|1,0,0]=3 3173 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,2,0,0,0,0|1,0,0]=3 3174 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,2,0,0,0,0|1,0,1]=4 3175 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,2,0,0,0,0|0,0,2]=4 3176 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,2,0,0,0,0|0,0,2]=4 3177 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,2,0,0,0,0|0,1,0]=3 3178 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,2,0,0,0,0|0,0,2]=4 3179 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,2,0,0,0,0|0,1,0]=3 3180 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,2,0,0,0,0|0,0,2]=4 3181 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,2,0,0,0,0|2,0,0]=4 3182 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,2,0,0,0,0|2,0,0]=4 3183 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,2,0,0,0,0|0,1,0]=3 3184 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,2,0,0,0,0|0,1,0]=3 3185 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,2,0,0,0,0|2,0,0]=4 3186 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,2,0,0,0,0|2,0,0]=4 3187 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,2,0,0,0,0|2,0,0]=4 3188 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,2,0,0,0,0|2,0,0]=4 3189 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,2,0,0,0,0|2,0,0]=4 3190 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,2,0,0,0,0|2,0,0]=4 3191 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,2,0,0,0,0|0,0,2]=4 3192 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,2,0,0,0,0|0,0,2]=4 3193 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,2,0,0,0,0|0,0,2]=4 3194 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,2,0,0,0,0|0,0,2]=4 3195 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,2,0,0,0,0|0,0,2]=4 3196 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,2,0,0,0,0|0,0,2]=4 3197 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,2,0,0,0,0|0,0,2]=4 3198 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,2,0,0,0,0|0,0,2]=4 3199 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,2,0,0,0,0|0,0,2]=4 3200 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,2,0,0,0,0|0,0,2]=4 3201 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,2,0,0,0,0|0,0,2]=4 3202 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [0,2,0,0,0,0|2,0,0]=4 3203 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [0,2,0,0,0,0|2,0,0]=4 3204 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,2,0,0,0,0|0,0,2]=4 3205 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,2,0,0,0,0|0,0,2]=4 3206 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,2,0,0,0,0|0,0,2]=4 3207 B8R0.4 COCSCCCC#N 62a_100000687738_100000766300 [0,2,0,0,0,0|1,0,1]=4 3208 B8R0.4 COCSCCCC#N 62a_100000766300_100000687738 [0,2,0,0,0,0|1,0,1]=4 3209 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,2,0,0,0,0|0,0,0]=2 3210 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,2,0,0,0,0|0,0,0]=2 3211 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,2,0,0,0,0|1,0,1]=4 3212 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,2,0,0,0,0|1,0,1]=4 3213 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,2,0,0,0,0|0,0,2]=4 3214 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,2,0,0,0,0|0,0,2]=4 3215 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,2,0,0,0,0|1,0,1]=4 3216 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,2,0,0,0,0|1,0,1]=4 3217 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,2,0,0,0,0|0,0,0]=2 3218 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,2,0,0,0,0|0,0,0]=2 3219 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,2,0,0,0,0|1,0,1]=4 3220 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,2,0,0,0,0|1,0,1]=4 3221 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,2,0,0,0,0|0,0,2]=4 3222 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,2,0,0,0,0|0,0,2]=4 3223 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,2,0,0,0,0|0,0,2]=4 3224 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,2,0,0,0,0|0,0,2]=4 3225 B8R0.4 CSCCCNCC#N 2230a_100000749238_100011215382 [0,2,0,0,0,0|1,0,1]=4 3226 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,2,0,0,0,0|0,0,0]=2 3227 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,2,0,0,0,0|1,0,1]=4 3228 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,2,0,0,0,0|0,0,2]=4 3229 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,2,0,0,0,0|0,1,1]=4 3230 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [0,2,0,0,0,0|1,0,1]=4 3231 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,2,0,0,0,0|0,0,0]=2 3232 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,2,0,0,0,0|0,0,0]=2 3233 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,2,0,0,0,0|1,0,1]=4 3234 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,2,0,0,0,0|1,0,1]=4 3235 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,2,0,0,0,0|0,0,2]=4 3236 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,2,0,0,0,0|0,0,2]=4 3237 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,2,0,0,0,0|0,1,1]=4 3238 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,2,0,0,0,0|1,0,1]=4 3239 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,2,0,0,0,0|1,0,1]=4 3240 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,2,0,0,0,0|1,0,1]=4 3241 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,2,0,0,0,0|1,0,1]=4 3242 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,2,0,0,0,0|0,0,2]=4 3243 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,2,0,0,0,0|0,1,1]=4 3244 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [0,2,0,0,0,0|1,0,1]=4 3245 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,2,0,0,0,0|1,0,1]=4 3246 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,2,0,0,0,0|1,0,1]=4 3247 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,2,0,0,0,0|1,0,1]=4 3248 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,2,0,0,0,0|1,0,1]=4 3249 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,2,0,0,0,0|1,0,1]=4 3250 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,2,0,0,0,0|1,0,1]=4 3251 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,2,0,0,0,0|0,0,2]=4 3252 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,2,0,0,0,0|0,0,2]=4 3253 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,2,0,0,0,0|0,0,2]=4 3254 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,2,0,0,0,0|0,1,1]=4 3255 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,2,0,0,0,0|0,1,1]=4 3256 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,2,0,0,0,0|1,0,1]=4 3257 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,2,0,0,0,0|1,0,1]=4 3258 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,2,0,0,0,0|1,0,1]=4 3259 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,2,0,0,0,0|1,0,1]=4 3260 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,2,0,0,0,0|0,0,2]=4 3261 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,2,0,0,0,0|0,0,2]=4 3262 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,2,0,0,0,0|0,1,1]=4 3263 B8R0.4 CSCCSCSC#N 62a_100000211825_100000751147 [0,2,0,0,0,0|1,0,1]=4 3264 B8R0.4 CSCCSCSC#N 62a_100000212216_100000211825 [0,2,0,0,0,0|1,0,1]=4 3265 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,2,0,0,0,0|0,0,2]=4 3266 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,2,0,0,0,0|0,0,2]=4 3267 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,2,0,0,0,0|1,0,1]=4 3268 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,2,0,0,0,0|1,0,1]=4 3269 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,2,0,0,0,0|1,0,1]=4 3270 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,2,0,0,0,0|1,0,1]=4 3271 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,2,0,0,0,0|1,0,1]=4 3272 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,2,0,0,0,0|1,0,1]=4 3273 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,2,0,0,0,0|1,0,1]=4 3274 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,2,0,0,0,0|0,0,0]=2 3275 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,2,0,0,0,0|0,0,0]=2 3276 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,2,0,0,0,0|1,0,1]=4 3277 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,2,0,0,0,0|1,0,1]=4 3278 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,2,0,0,0,0|0,0,2]=4 3279 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,2,0,0,0,0|0,0,2]=4 3280 B8R0.4 CSCSCCSC#N 62a_100000034367_100011218213 [0,2,0,0,0,0|1,0,1]=4 3281 B8R0.4 CSCSCCSC#N 62a_100011218213_100000034367 [0,2,0,0,0,0|1,0,1]=4 3282 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,2,0,0,0,0|1,0,1]=4 3283 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,2,0,0,0,0|1,0,1]=4 3284 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,2,0,0,0,0|1,0,1]=4 3285 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,2,0,0,0,0|1,0,1]=4 3286 B8R0.4 N#CCCCCSCF 62a_100011219923_100015361967 [0,2,0,0,0,0|1,0,1]=4 3287 B8R0.4 N#CCCCCSCF 62a_100015361967_100000211819 [0,2,0,0,0,0|1,0,1]=4 3288 B8R0.4 N#CCCCSCC#N 62a_100000687738_100011215382 [0,2,0,0,0,0|1,0,1]=4 3289 B8R0.4 N#CCCCSCC#N 62a_100011215382_100000687738 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [0,2,0,0,0,0|1,0,1]=4 3291 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [0,2,0,0,0,0|1,0,1]=4 3292 B8R0.4 N#CCCCSCCF 62a_100000687738_100011217306 [0,2,0,0,0,0|1,0,1]=4 3293 B8R0.4 N#CCCCSCCF 62a_100011217306_100000687738 [0,2,0,0,0,0|1,0,1]=4 3294 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,2,0,0,0,0|1,0,1]=4 3295 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,2,0,0,0,0|1,0,1]=4 3296 B8R0.4 N#CCOCCSCF 62a_100015361967_200000047693 [0,2,0,0,0,0|1,0,1]=4 3297 B8R0.4 N#CCOCCSCF 62a_200000047693_100015361967 [0,2,0,0,0,0|1,0,1]=4 3298 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [0,2,0,0,0,0|0,0,0]=2 3299 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [0,2,0,0,0,0|0,0,0]=2 3300 B8R0.4 N#CCSCCCCF 62a_100000729493_100011215382 [0,2,0,0,0,0|1,0,1]=4 3301 B8R0.4 N#CCSCCCCF 62a_100011215382_100000729493 [0,2,0,0,0,0|1,0,1]=4 3302 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [0,2,0,0,0,0|0,0,2]=4 3303 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [0,2,0,0,0,0|0,0,2]=4 3304 B8R0.4 N#CSCCSCC=O 62a_100000034367_200015260668 [0,2,0,0,0,0|0,0,1]=3 3305 B8R0.4 N#CSCCSCC=O 62a_200015260668_100000034367 [0,2,0,0,0,0|0,0,1]=3 3306 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,2,0,0,0,0|1,0,0]=3 3307 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,2,0,0,0,0|0,0,0]=2 3308 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,2,0,0,0,0|0,0,0]=2 3309 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,2,0,0,0,0|1,0,0]=3 3310 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,2,0,0,0,0|0,0,0]=2 3311 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,2,0,0,0,0|0,0,0]=2 3312 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,2,0,0,0,0|0,0,0]=2 3313 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,2,0,0,0,0|0,0,0]=2 3314 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,2,0,0,0,0|0,0,0]=2 3315 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,2,0,0,0,0|0,0,0]=2 3316 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,2,0,0,0,0|1,0,0]=3 3317 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,2,0,0,0,0|1,0,0]=3 3318 B8R0.4 O=CCOCC#CCCl 34a_200000047223_200009817547 [0,2,0,0,0,0|1,0,1]=4 3319 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,2,0,0,0,0|1,0,0]=3 3320 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,2,0,0,0,0|1,0,0]=3 3321 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,2,0,0,0,0|1,0,0]=3 3322 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,2,0,0,0,0|1,0,0]=3 3323 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,2,0,0,0,0|1,0,0]=3 3324 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,2,0,0,0,0|1,0,0]=3 3325 B8R0.4 O=CCSCC#CCO 62a_200000047223_200015260668 [0,2,0,0,0,0|1,0,1]=4 3326 B8R0.4 O=CCSCC#CCO 62a_200015260668_200000047223 [0,2,0,0,0,0|1,0,1]=4 3327 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,2,0,0,0,0|1,0,0]=3 3328 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,2,0,0,0,0|1,0,0]=3 3329 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,2,0,0,0,0|1,0,0]=3 3330 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,2,0,0,0,0|1,0,0]=3 3331 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,2,0,0,0,0|0,0,2]=4 3332 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,2,0,0,0,0|0,0,2]=4 3333 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,2,0,0,0,0|0,0,2]=4 3334 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,2,0,0,0,0|0,0,2]=4 3335 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,2,0,0,0,0|0,0,2]=4 3336 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,2,0,0,0,0|0,0,2]=4 3337 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [0,2,0,0,0,0|0,0,2]=4 3338 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [0,2,0,0,0,0|0,0,2]=4 3339 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,2,0,0,0,0|1,0,1]=4 3340 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,2,0,0,0,0|1,0,1]=4 3341 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,2,0,0,0,0|1,0,1]=4 3342 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,2,0,0,0,0|1,0,1]=4 3343 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,2,0,0,0,0|0,0,0]=2 3344 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,2,0,0,0,0|0,0,0]=2 3345 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,2,0,0,0,0|1,0,1]=4 3346 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,2,0,0,0,0|1,0,1]=4 3347 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,2,0,0,0,0|0,0,2]=4 3348 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,2,0,0,0,0|0,0,2]=4 3349 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,2,0,0,0,0|2,0,0]=4 3350 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,2,0,0,0,0|1,0,1]=4 3351 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,2,0,0,0,0|1,0,0]=3 3352 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,2,0,0,0,0|2,0,0]=4 3353 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,2,0,0,0,0|2,0,0]=4 3354 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,2,0,0,0,0|0,1,0]=3 3355 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,2,0,0,0,0|2,0,0]=4 3356 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,2,0,0,0,0|2,0,0]=4 3357 B8R0.6 C#CC(C)NCCSC 2230a_100000707721_100000751147 [0,2,0,0,0,0|1,0,1]=4 3358 B8R0.6 C#CC(C)NCCSC 34a_100000707721_100000212216 [0,2,0,0,0,0|1,0,1]=4 3359 B8R0.6 C#CC(C)OCCSC 34a_100000230434_200000035995 [0,2,0,0,0,0|1,0,1]=4 3360 B8R0.6 C#CC(C)SCCSC 62a_200000035995_100000751147 [0,2,0,0,0,0|1,0,1]=4 3361 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,2,0,0,0,0|1,0,1]=4 3362 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,2,0,0,0,0|1,0,1]=4 3363 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|1,0,1]=4 3364 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|1,0,1]=4 3365 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,2,0,0,0,0|1,0,1]=4 3366 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|1,0,1]=4 3367 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,2,0,0,0,0|1,0,1]=4 3368 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 3369 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 3370 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 3371 B8R0.6 C#C[C@@H](C)OCCSC 34a_100009815206_100000212216 [0,2,0,0,0,0|1,0,1]=4 3372 B8R0.6 C#C[C@@H](C)OCCSC 7a_100009815206_100000212216 [0,2,0,0,0,0|1,0,1]=4 3373 B8R0.6 C=C(C#N)CSCSC 62a_100011218213_100000694840 [0,2,0,0,0,0|2,0,0]=4 3374 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,2,0,0,0,0|2,0,0]=4 3375 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|1,0,0]=3 3376 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,2,0,0,0,0|2,0,0]=4 3377 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,2,0,0,0,0|2,0,0]=4 3378 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,2,0,0,0,0|0,1,0]=3 3379 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,2,0,0,0,0|2,0,0]=4 3380 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,2,0,0,0,0|1,0,1]=4 3381 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,2,0,0,0,0|2,0,0]=4 3382 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,2,0,0,0,0|2,0,0]=4 3383 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,2,0,0,0,0|2,0,0]=4 3384 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,2,0,0,0,0|2,0,0]=4 3385 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,2,0,0,0,0|1,1,0]=4 3386 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,2,0,0,0,0|1,1,0]=4 3387 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,2,0,0,0,0|1,1,0]=4 3388 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,2,0,0,0,0|1,1,0]=4 3389 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,2,0,0,0,0|1,0,0]=3 3390 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,2,0,0,0,0|1,0,0]=3 3391 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,2,0,0,0,0|2,0,0]=4 3392 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,2,0,0,0,0|2,0,0]=4 3393 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,2,0,0,0,0|2,0,0]=4 3394 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,2,0,0,0,0|1,1,0]=4 3395 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,2,0,0,0,0|1,0,0]=3 3396 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,2,0,0,0,0|1,0,0]=3 3397 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,2,0,0,0,0|1,0,0]=3 3398 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,2,0,0,0,0|1,0,0]=3 3399 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,2,0,0,0,0|1,0,1]=4 3400 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,2,0,0,0,0|1,0,1]=4 3401 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,2,0,0,0,0|2,0,0]=4 3402 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,2,0,0,0,0|2,0,0]=4 3403 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [0,2,0,0,0,0|1,0,0]=3 3404 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,2,0,0,0,0|2,0,0]=4 3405 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [0,2,0,0,0,0|1,1,0]=4 3406 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [0,2,0,0,0,0|1,0,0]=3 3407 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,2,0,0,0,0|2,0,0]=4 3408 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [0,2,0,0,0,0|1,1,0]=4 3409 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [0,2,0,0,0,0|1,0,0]=3 3410 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,2,0,0,0,0|2,0,0]=4 3411 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,2,0,0,0,0|1,0,1]=4 3412 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,2,0,0,0,0|1,0,1]=4 3413 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,2,0,0,0,0|2,0,0]=4 3414 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,2,0,0,0,0|2,0,0]=4 3415 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,2,0,0,0,0|1,1,0]=4 3416 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,2,0,0,0,0|1,1,0]=4 3417 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,2,0,0,0,0|1,0,0]=3 3418 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,2,0,0,0,0|1,0,0]=3 3419 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,2,0,0,0,0|1,0,1]=4 3420 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|1,0,1]=4 3421 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|1,0,1]=4 3422 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,2,0,0,0,0|1,0,1]=4 3423 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|1,0,1]=4 3424 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|1,0,1]=4 3425 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|1,0,1]=4 3426 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|1,0,1]=4 3427 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|1,0,1]=4 3428 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,2,0,0,0,0|2,0,0]=4 3429 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,2,0,0,0,0|2,0,0]=4 3430 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,2,0,0,0,0|2,0,0]=4 3431 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,2,0,0,0,0|2,0,0]=4 3432 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,2,0,0,0,0|2,0,0]=4 3433 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,2,0,0,0,0|2,0,0]=4 3434 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,2,0,0,0,0|2,0,0]=4 3435 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,2,0,0,0,0|2,0,0]=4 3436 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,2,0,0,0,0|1,1,0]=4 3437 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,2,0,0,0,0|1,1,0]=4 3438 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,2,0,0,0,0|2,0,0]=4 3440 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,2,0,0,0,0|2,0,0]=4 3441 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,2,0,0,0,0|2,0,0]=4 3442 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,2,0,0,0,0|2,0,0]=4 3443 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,2,0,0,0,0|2,0,0]=4 3444 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [0,2,0,0,0,0|1,1,0]=4 3445 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,2,0,0,0,0|2,0,0]=4 3446 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [0,2,0,0,0,0|1,1,0]=4 3447 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,2,0,0,0,0|2,0,0]=4 3448 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,2,0,0,0,0|2,0,0]=4 3449 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,2,0,0,0,0|2,0,0]=4 3450 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,2,0,0,0,0|2,0,0]=4 3451 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,2,0,0,0,0|2,0,0]=4 3452 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,2,0,0,0,0|2,0,0]=4 3455 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,2,0,0,0,0|2,0,0]=4 3456 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [0,2,0,0,0,0|1,0,1]=4 3457 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|2,0,0]=4 3458 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|1,0,0]=3 3459 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|2,0,0]=4 3460 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|2,0,0]=4 3461 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|2,0,0]=4 3462 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|2,0,0]=4 3463 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|2,0,0]=4 3464 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|2,0,0]=4 3465 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|2,0,0]=4 3466 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|0,1,0]=3 3467 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|0,1,0]=3 3468 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|0,0,0]=2 3469 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,2,0,0,0,0|1,0,1]=4 3470 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|1,0,0]=3 3471 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,2,0,0,0,0|1,0,1]=4 3472 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,2,0,0,0,0|1,0,1]=4 3473 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|1,1,0]=4 3474 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|1,1,0]=4 3475 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|1,0,0]=3 3476 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|1,0,0]=3 3477 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|2,0,0]=4 3478 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|2,0,0]=4 3479 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|1,1,0]=4 3480 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|1,1,0]=4 3481 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|1,1,0]=4 3482 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|1,1,0]=4 3483 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|1,1,0]=4 3484 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|1,1,0]=4 3485 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|1,1,0]=4 3486 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3487 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3488 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3489 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,2,0,0,0,0|1,0,0]=3 3490 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|1,1,0]=4 3491 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|1,1,0]=4 3492 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,2,0,0,0,0|1,0,0]=3 3493 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,2,0,0,0,0|1,0,1]=4 3494 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,2,0,0,0,0|1,0,0]=3 3495 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,2,0,0,0,0|1,0,0]=3 3496 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,2,0,0,0,0|1,0,1]=4 3497 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,2,0,0,0,0|1,0,1]=4 3498 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,2,0,0,0,0|1,0,1]=4 3499 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,2,0,0,0,0|1,0,1]=4 3500 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,2,0,0,0,0|1,0,1]=4 3501 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,2,0,0,0,0|1,0,1]=4 3502 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,2,0,0,0,0|1,0,1]=4 3503 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,2,0,0,0,0|1,0,1]=4 3504 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,2,0,0,0,0|1,0,1]=4 3505 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|1,0,0]=3 3506 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,2,0,0,0,0|1,0,1]=4 3507 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,2,0,0,0,0|1,0,0]=3 3508 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,2,0,0,0,0|1,0,0]=3 3509 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,2,0,0,0,0|1,0,1]=4 3510 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,2,0,0,0,0|1,0,1]=4 3511 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|1,0,0]=3 3512 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|1,0,0]=3 3513 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|1,0,0]=3 3514 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|1,0,0]=3 3515 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|1,0,0]=3 3516 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3517 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3518 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3519 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,2,0,0,0,0|1,0,1]=4 3520 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,2,0,0,0,0|1,0,1]=4 3521 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,2,0,0,0,0|1,0,1]=4 3522 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,2,0,0,0,0|1,0,1]=4 3523 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 3524 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 3525 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 3526 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 3527 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 3528 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|2,0,0]=4 3529 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,2,0,0,0,0|2,0,0]=4 3530 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,2,0,0,0,0|2,0,0]=4 3531 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,2,0,0,0,0|2,0,0]=4 3532 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,2,0,0,0,0|2,0,0]=4 3533 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,2,0,0,0,0|2,0,0]=4 3534 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,2,0,0,0,0|2,0,0]=4 3535 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,2,0,0,0,0|2,0,0]=4 3536 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|2,0,0]=4 3537 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|2,0,0]=4 3538 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|2,0,0]=4 3539 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|2,0,0]=4 3540 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 3541 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 3542 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|2,0,0]=4 3543 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|2,0,0]=4 3544 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 3545 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|2,0,0]=4 3546 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|2,0,0]=4 3547 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|2,0,0]=4 3548 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|2,0,0]=4 3549 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|2,0,0]=4 3550 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|2,0,0]=4 3551 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 3552 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 3553 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 3554 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|2,0,0]=4 3555 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|2,0,0]=4 3556 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|2,0,0]=4 3557 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|2,0,0]=4 3558 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,2,0,0,0,0|1,0,0]=3 3559 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,2,0,0,0,0|1,0,0]=3 3560 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,2,0,0,0,0|1,0,1]=4 3561 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,2,0,0,0,0|1,0,1]=4 3562 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,2,0,0,0,0|2,0,0]=4 3563 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,2,0,0,0,0|2,0,0]=4 3564 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,2,0,0,0,0|2,0,0]=4 3565 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|2,0,0]=4 3566 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|2,0,0]=4 3567 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|2,0,0]=4 3568 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|2,0,0]=4 3569 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|2,0,0]=4 3570 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|2,0,0]=4 3571 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 3572 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 3573 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|2,0,0]=4 3574 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|2,0,0]=4 3575 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 3576 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|2,0,0]=4 3577 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|2,0,0]=4 3578 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|2,0,0]=4 3579 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,2,0,0,0,0|2,0,0]=4 3580 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|2,0,0]=4 3581 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,2,0,0,0,0|2,0,0]=4 3582 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 3583 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 3584 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 3585 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,2,0,0,0,0|2,0,0]=4 3586 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,2,0,0,0,0|2,0,0]=4 3587 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|2,0,0]=4 3588 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|2,0,0]=4 3589 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,2,0,0,0,0|1,0,0]=3 3590 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,2,0,0,0,0|1,0,0]=3 3591 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,2,0,0,0,0|1,0,0]=3 3592 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,2,0,0,0,0|1,0,1]=4 3593 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,2,0,0,0,0|1,0,1]=4 3594 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,2,0,0,0,0|2,0,0]=4 3595 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 3596 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 3597 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,2,0,0,0,0|2,0,0]=4 3598 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|2,0,0]=4 3599 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3600 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3601 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|0,1,0]=3 3602 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|0,1,0]=3 3603 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|0,1,0]=3 3604 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|0,1,0]=3 3605 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|0,1,0]=3 3606 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|0,0,0]=2 3607 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|0,0,0]=2 3608 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|0,0,0]=2 3609 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|0,0,0]=2 3610 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|0,0,0]=2 3611 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|0,0,0]=2 3612 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|0,0,0]=2 3613 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|0,0,0]=2 3614 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,2,0,0,0,0|1,0,1]=4 3615 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,2,0,0,0,0|1,1,0]=4 3616 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,2,0,0,0,0|1,0,0]=3 3617 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,2,0,0,0,0|1,0,1]=4 3618 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,2,0,0,0,0|1,0,0]=3 3619 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,2,0,0,0,0|1,0,1]=4 3620 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,2,0,0,0,0|1,0,1]=4 3621 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,2,0,0,0,0|1,1,0]=4 3622 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,2,0,0,0,0|1,1,0]=4 3623 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,2,0,0,0,0|1,0,0]=3 3624 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,2,0,0,0,0|1,0,0]=3 3625 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,2,0,0,0,0|2,0,0]=4 3626 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,2,0,0,0,0|1,1,0]=4 3627 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,2,0,0,0,0|1,1,0]=4 3628 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,2,0,0,0,0|1,1,0]=4 3629 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,2,0,0,0,0|1,0,0]=3 3630 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,2,0,0,0,0|1,0,0]=3 3631 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,2,0,0,0,0|1,0,0]=3 3632 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,2,0,0,0,0|1,0,0]=3 3633 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,2,0,0,0,0|1,0,0]=3 3634 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,2,0,0,0,0|1,0,0]=3 3635 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,2,0,0,0,0|1,1,0]=4 3636 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,2,0,0,0,0|1,0,0]=3 3637 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3638 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3639 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,2,0,0,0,0|1,0,0]=3 3640 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,2,0,0,0,0|1,0,1]=4 3641 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3642 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 3643 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3644 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,2,0,0,0,0|1,0,0]=3 3645 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 3646 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|1,0,0]=3 3647 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|1,0,0]=3 3648 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|1,0,0]=3 3649 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,2,0,0,0,0|2,0,0]=4 3650 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,2,0,0,0,0|2,0,0]=4 3651 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,2,0,0,0,0|2,0,0]=4 3652 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,2,0,0,0,0|0,0,2]=4 3653 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,2,0,0,0,0|0,0,2]=4 3654 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,2,0,0,0,0|0,0,2]=4 3655 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,2,0,0,0,0|0,0,2]=4 3656 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|0,0,0]=2 3657 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|0,0,0]=2 3658 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|0,0,0]=2 3659 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|0,0,0]=2 3660 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|0,1,1]=4 3661 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|0,1,1]=4 3662 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|1,0,0]=3 3663 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|1,0,0]=3 3664 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,2,0,0,0,0|1,1,0]=4 3665 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|1,1,0]=4 3666 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,2,0,0,0,0|0,1,0]=3 3667 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,2,0,0,0,0|2,0,0]=4 3668 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,2,0,0,0,0|2,0,0]=4 3669 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,2,0,0,0,0|2,0,0]=4 3670 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,2,0,0,0,0|0,1,0]=3 3671 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|0,1,0]=3 3672 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,2,0,0,0,0|0,1,0]=3 3673 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|0,1,0]=3 3674 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|1,1,0]=4 3675 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|1,1,0]=4 3676 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,2,0,0,0,0|1,1,0]=4 3677 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|1,1,0]=4 3678 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|1,1,0]=4 3679 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|1,1,0]=4 3680 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,2,0,0,0,0|0,1,0]=3 3681 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,2,0,0,0,0|2,0,0]=4 3682 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|0,0,0]=2 3683 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|1,0,0]=3 3684 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|1,0,0]=3 3685 B8R0.6 CSCCNC(C)C#N 2230a_100000737613_100000751147 [0,2,0,0,0,0|1,0,1]=4 3686 B8R0.6 CSCCNC(C)C#N 2230a_100020590264_100000184139 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,2,0,0,0,0|0,0,2]=4 3688 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,2,0,0,0,0|0,0,2]=4 3689 B8R0.6 CSCCOC(C)C#N 34a_100011218135_100000212216 [0,2,0,0,0,0|1,0,1]=4 3690 B8R0.6 CSCCOC(C)C#N 7a_100000230434_100000703298 [0,2,0,0,0,0|1,0,1]=4 3691 B8R0.6 CSCCOC(C)CF 34a_100016041109_100000212216 [0,2,0,0,0,0|1,0,1]=4 3692 B8R0.6 CSCCOC(C)CF 7a_100016041109_100000212216 [0,2,0,0,0,0|1,0,1]=4 3693 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [0,2,0,0,0,0|1,0,1]=4 3694 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,2,0,0,0,0|0,0,2]=4 3695 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,2,0,0,0,0|0,0,2]=4 3696 B8R0.6 CSCCSC(C)C#N 62a_100000212216_100000703298 [0,2,0,0,0,0|1,0,1]=4 3697 B8R0.6 CSCCSC(C)C#N 62a_100000703298_100000751147 [0,2,0,0,0,0|1,0,1]=4 3698 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,2,0,0,0,0|0,0,2]=4 3699 B8R0.6 CSCCSC(F)C#N 62a_100000212216_200000117898 [0,2,0,0,0,0|1,0,1]=4 3700 B8R0.6 CSCCSC(F)C#N 62a_200000117898_100000751147 [0,2,0,0,0,0|1,0,1]=4 3701 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,2,0,0,0,0|0,0,2]=4 3702 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,2,0,0,0,0|0,0,2]=4 3703 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,2,0,0,0,0|0,0,2]=4 3704 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,2,0,0,0,0|0,0,2]=4 3705 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,2,0,0,0,0|0,0,2]=4 3706 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [0,2,0,0,0,0|1,0,1]=4 3707 B8R0.6 CSCOCC(Cl)CCl 34a_100000033668_100011218213 [0,2,0,0,0,0|1,0,1]=4 3708 B8R0.6 CSCOC[C@H](F)CN 34a_100015665980_100011218213 [0,2,0,0,0,0|1,0,1]=4 3709 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,2,0,0,0,0|0,0,2]=4 3710 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,2,0,0,0,0|0,0,2]=4 3711 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,2,0,0,0,0|0,0,2]=4 3712 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,2,0,0,0,0|0,0,2]=4 3713 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,2,0,0,0,0|1,0,1]=4 3714 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,2,0,0,0,0|1,0,1]=4 3715 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,2,0,0,0,0|0,0,2]=4 3716 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,2,0,0,0,0|0,0,2]=4 3717 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,2,0,0,0,0|2,0,0]=4 3718 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,2,0,0,0,0|2,0,0]=4 3719 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,2,0,0,0,0|2,0,0]=4 3720 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|2,0,0]=4 3721 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,2,0,0,0,0|2,0,0]=4 3722 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|2,0,0]=4 3723 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|2,0,0]=4 3724 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|2,0,0]=4 3725 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,2,0,0,0,0|2,0,0]=4 3726 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,2,0,0,0,0|2,0,0]=4 3727 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,2,0,0,0,0|2,0,0]=4 3728 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,2,0,0,0,0|2,0,0]=4 3729 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,2,0,0,0,0|2,0,0]=4 3730 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,2,0,0,0,0|2,0,0]=4 3731 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,2,0,0,0,0|2,0,0]=4 3732 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,2,0,0,0,0|2,0,0]=4 3733 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,2,0,0,0,0|2,0,0]=4 3734 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,2,0,0,0,0|0,1,0]=3 3735 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,2,0,0,0,0|1,0,1]=4 3736 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,2,0,0,0,0|1,0,1]=4 3737 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,2,0,0,0,0|1,0,1]=4 3738 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 3739 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 3740 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 3741 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,2,0,0,0,0|1,0,1]=4 3742 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [0,2,0,0,0,0|1,0,1]=4 3743 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [0,2,0,0,0,0|1,0,1]=4 3744 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,2,0,0,0,0|1,0,1]=4 3745 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,2,0,0,0,0|1,0,1]=4 3746 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,2,0,0,0,0|1,0,1]=4 3747 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,2,0,0,0,0|1,0,1]=4 3748 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,2,0,0,0,0|1,0,1]=4 3749 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,2,0,0,0,0|1,0,1]=4 3750 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,2,0,0,0,0|1,0,1]=4 3751 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,2,0,0,0,0|1,0,1]=4 3752 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,2,0,0,0,0|1,0,1]=4 3753 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,2,0,0,0,0|1,0,1]=4 3754 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,2,0,0,0,0|1,0,1]=4 3755 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,2,0,0,0,0|1,0,1]=4 3756 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,2,0,0,0,0|1,0,1]=4 3757 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,2,0,0,0,0|1,0,1]=4 3758 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,2,0,0,0,0|1,0,1]=4 3759 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,2,0,0,0,0|1,0,1]=4 3760 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,2,0,0,0,0|1,0,1]=4 3761 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,2,0,0,0,0|1,0,1]=4 3762 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,2,0,0,0,0|1,0,1]=4 3763 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,2,0,0,0,0|1,0,1]=4 3764 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,2,0,0,0,0|1,0,1]=4 3765 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,2,0,0,0,0|1,0,1]=4 3766 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,2,0,0,0,0|1,0,1]=4 3767 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,2,0,0,0,0|1,0,1]=4 3768 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,2,0,0,0,0|1,0,1]=4 3769 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,2,0,0,0,0|1,0,1]=4 3770 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,2,0,0,0,0|1,0,1]=4 3771 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,2,0,0,0,0|1,0,1]=4 3772 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,2,0,0,0,0|1,0,1]=4 3773 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,2,0,0,0,0|1,0,1]=4 3774 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [0,2,0,0,0,0|1,0,1]=4 3775 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,2,0,0,0,0|2,0,0]=4 3776 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [0,2,0,0,0,0|1,0,0]=3 3777 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,2,0,0,0,0|1,0,0]=3 3778 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,2,0,0,0,0|2,0,0]=4 3779 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,2,0,0,0,0|2,0,0]=4 3780 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,2,0,0,0,0|1,0,0]=3 3781 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,2,0,0,0,0|1,0,0]=3 3782 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,2,0,0,0,0|1,0,0]=3 3783 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,2,0,0,0,0|2,0,0]=4 3784 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,2,0,0,0,0|2,0,0]=4 3785 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,2,0,0,0,0|1,1,0]=4 3786 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,2,0,0,0,0|1,1,0]=4 3787 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,2,0,0,0,0|1,0,0]=3 3788 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,2,0,0,0,0|1,0,0]=3 3789 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,2,0,0,0,0|2,0,0]=4 3790 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,2,0,0,0,0|2,0,0]=4 3791 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,2,0,0,0,0|1,1,0]=4 3792 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,2,0,0,0,0|1,0,0]=3 3793 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,2,0,0,0,0|2,0,0]=4 3794 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,2,0,0,0,0|2,0,0]=4 3795 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,2,0,0,0,0|2,0,0]=4 3796 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,2,0,0,0,0|1,1,0]=4 3797 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,2,0,0,0,0|1,1,0]=4 3798 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,2,0,0,0,0|1,0,0]=3 3799 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,2,0,0,0,0|1,0,0]=3 3800 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,2,0,0,0,0|1,0,0]=3 3801 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,2,0,0,0,0|2,0,0]=4 3802 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,2,0,0,0,0|2,0,0]=4 3803 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,2,0,0,0,0|1,1,0]=4 3804 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,2,0,0,0,0|1,1,0]=4 3805 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,2,0,0,0,0|1,0,0]=3 3806 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,2,0,0,0,0|1,0,0]=3 3807 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,2,0,0,0,0|2,0,0]=4 3808 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,2,0,0,0,0|2,0,0]=4 3809 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,2,0,0,0,0|1,1,0]=4 3810 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,2,0,0,0,0|1,0,0]=3 3811 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,2,0,0,0,0|2,0,0]=4 3812 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,2,0,0,0,0|2,0,0]=4 3813 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,2,0,0,0,0|2,0,0]=4 3814 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,2,0,0,0,0|1,1,0]=4 3815 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,2,0,0,0,0|1,1,0]=4 3816 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,2,0,0,0,0|1,0,0]=3 3817 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,2,0,0,0,0|1,0,0]=3 3818 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,2,0,0,0,0|1,0,0]=3 3819 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,2,0,0,0,0|2,0,0]=4 3820 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,2,0,0,0,0|2,0,0]=4 3821 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,2,0,0,0,0|1,1,0]=4 3822 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,2,0,0,0,0|1,1,0]=4 3823 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,2,0,0,0,0|1,0,0]=3 3824 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,2,0,0,0,0|1,0,0]=3 3825 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,2,0,0,0,0|1,0,1]=4 3826 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,2,0,0,0,0|1,0,1]=4 3827 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,2,0,0,0,0|1,0,1]=4 3828 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,2,0,0,0,0|2,0,0]=4 3829 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,2,0,0,0,0|2,0,0]=4 3830 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,2,0,0,0,0|2,0,0]=4 3831 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,2,0,0,0,0|2,0,0]=4 3832 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,2,0,0,0,0|2,0,0]=4 3833 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,2,0,0,0,0|2,0,0]=4 3834 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,2,0,0,0,0|1,0,1]=4 3835 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,2,0,0,0,0|1,0,1]=4 3836 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,2,0,0,0,0|1,0,1]=4 3837 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,2,0,0,0,0|1,0,1]=4 3838 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,2,0,0,0,0|2,0,0]=4 3839 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,2,0,0,0,0|2,0,0]=4 3840 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,2,0,0,0,0|2,0,0]=4 3841 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,2,0,0,0,0|2,0,0]=4 3842 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,2,0,0,0,0|1,1,0]=4 3843 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,2,0,0,0,0|1,1,0]=4 3844 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,2,0,0,0,0|1,1,0]=4 3845 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,2,0,0,0,0|1,0,0]=3 3846 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,2,0,0,0,0|1,0,0]=3 3847 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [0,2,0,0,0,0|2,0,0]=4 3848 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,2,0,0,0,0|1,0,1]=4 3849 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,2,0,0,0,0|1,0,1]=4 3850 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,2,0,0,0,0|1,0,1]=4 3851 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,2,0,0,0,0|2,0,0]=4 3852 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,2,0,0,0,0|2,0,0]=4 3853 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,2,0,0,0,0|2,0,0]=4 3854 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,2,0,0,0,0|2,0,0]=4 3855 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,2,0,0,0,0|2,0,0]=4 3856 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,2,0,0,0,0|2,0,0]=4 3857 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,2,0,0,0,0|2,0,0]=4 3858 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,2,0,0,0,0|2,0,0]=4 3859 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [0,2,0,0,0,0|2,0,0]=4 3860 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [0,2,0,0,0,0|2,0,0]=4 3861 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,2,0,0,0,0|1,0,1]=4 3862 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,2,0,0,0,0|1,0,1]=4 3863 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,2,0,0,0,0|1,0,1]=4 3864 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [0,2,0,0,0,0|2,0,0]=4 3865 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,2,0,0,0,0|2,0,0]=4 3866 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,2,0,0,0,0|2,0,0]=4 3867 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [0,2,0,0,0,0|2,0,0]=4 3868 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,2,0,0,0,0|2,0,0]=4 3869 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,2,0,0,0,0|2,0,0]=4 3870 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,2,0,0,0,0|2,0,0]=4 3871 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,2,0,0,0,0|2,0,0]=4 3872 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [0,2,0,0,0,0|2,0,0]=4 3873 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [0,2,0,0,0,0|2,0,0]=4 3874 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,2,0,0,0,0|1,0,1]=4 3876 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,2,0,0,0,0|1,0,1]=4 3877 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,2,0,0,0,0|2,0,0]=4 3879 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,2,0,0,0,0|2,0,0]=4 3880 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,2,0,0,0,0|2,0,0]=4 3881 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,2,0,0,0,0|2,0,0]=4 3882 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,2,0,0,0,0|2,0,0]=4 3883 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,2,0,0,0,0|2,0,0]=4 3884 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [0,2,0,0,0,0|2,0,0]=4 3885 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,2,0,0,0,0|1,0,1]=4 3886 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,2,0,0,0,0|2,0,0]=4 3887 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,2,0,0,0,0|2,0,0]=4 3888 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,2,0,0,0,0|2,0,0]=4 3889 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,2,0,0,0,0|2,0,0]=4 3890 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,2,0,0,0,0|2,0,0]=4 3891 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,2,0,0,0,0|1,0,1]=4 3892 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,2,0,0,0,0|1,0,1]=4 3893 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,2,0,0,0,0|1,0,1]=4 3894 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,2,0,0,0,0|1,0,1]=4 3895 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,2,0,0,0,0|1,0,1]=4 3896 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,2,0,0,0,0|1,0,1]=4 3897 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,2,0,0,0,0|1,0,1]=4 3898 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,2,0,0,0,0|2,0,0]=4 3899 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,2,0,0,0,0|2,0,0]=4 3900 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,2,0,0,0,0|2,0,0]=4 3901 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,2,0,0,0,0|2,0,0]=4 3902 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,2,0,0,0,0|2,0,0]=4 3903 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,2,0,0,0,0|2,0,0]=4 3904 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [0,2,0,0,0,0|2,0,0]=4 3905 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [0,2,0,0,0,0|2,0,0]=4 3906 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,2,0,0,0,0|1,0,1]=4 3907 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,2,0,0,0,0|1,0,1]=4 3908 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,2,0,0,0,0|1,0,1]=4 3909 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,2,0,0,0,0|1,0,1]=4 3910 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,2,0,0,0,0|2,0,0]=4 3911 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,2,0,0,0,0|2,0,0]=4 3912 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,2,0,0,0,0|2,0,0]=4 3913 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,2,0,0,0,0|2,0,0]=4 3914 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [0,2,0,0,0,0|2,0,0]=4 3915 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [0,2,0,0,0,0|2,0,0]=4 3916 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [0,2,0,0,0,0|2,0,0]=4 3917 B8R0.7 CC#CCNCC(=O)N 2230a_100000685387_100000747473 [0,2,0,0,0,0|1,0,1]=4 3918 B8R0.7 CC#CCNCC(=O)N 2230a_100000711301_100000748600 [0,2,0,0,0,0|1,0,1]=4 3919 B8R0.7 CC#CCNCC(=O)N 34a_100000685387_100000187820 [0,2,0,0,0,0|1,0,1]=4 3920 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,2,0,0,0,0|1,0,1]=4 3921 B8R0.7 CC#CCNCC(=O)[O-] 34a_100000685387_100020667443 [0,2,0,0,0,0|1,0,1]=4 3922 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,2,0,0,0,0|1,0,1]=4 3923 B8R0.7 CC#CCOCC(=O)N 34a_100000761923_100000187820 [0,2,0,0,0,0|1,0,1]=4 3924 B8R0.7 CC#CCOCC(=O)[O-] 34a_100000761923_100020667443 [0,2,0,0,0,0|1,0,1]=4 3925 B8R0.7 CC#CCSCC(=O)N 62a_100000747473_100000748600 [0,2,0,0,0,0|1,0,1]=4 3926 B8R0.7 CC#CCSCC(=O)N 62a_100000748600_100000747473 [0,2,0,0,0,0|1,0,1]=4 3927 B8R0.7 CC#CCSCC(=O)[O-] 62a_100000748600_100020667443 [0,2,0,0,0,0|1,0,1]=4 3928 B8R0.7 CC#CCSCC(=O)[O-] 62a_100020667443_100000748600 [0,2,0,0,0,0|1,0,1]=4 3929 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [0,2,0,0,0,0|1,0,1]=4 3930 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [0,2,0,0,0,0|1,0,1]=4 3931 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,2,0,0,0,0|1,0,1]=4 3932 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,2,0,0,0,0|1,0,1]=4 3933 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,2,0,0,0,0|1,0,1]=4 3934 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,2,0,0,0,0|1,0,1]=4 3935 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,2,0,0,0,0|1,0,1]=4 3936 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,2,0,0,0,0|1,0,0]=3 3937 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,2,0,0,0,0|1,0,0]=3 3938 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,2,0,0,0,0|1,0,0]=3 3939 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,2,0,0,0,0|0,0,0]=2 3940 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,2,0,0,0,0|0,0,0]=2 3941 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,2,0,0,0,0|2,0,0]=4 3942 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,2,0,0,0,0|0,1,0]=3 3943 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,2,0,0,0,0|0,1,0]=3 3944 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,2,0,0,0,0|0,0,0]=2 3945 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,2,0,0,0,0|0,0,0]=2 3946 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,2,0,0,0,0|2,0,0]=4 3947 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,2,0,0,0,0|2,0,0]=4 3948 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,2,0,0,0,0|1,0,0]=3 3949 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,2,0,0,0,0|1,0,0]=3 3950 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,2,0,0,0,0|2,0,0]=4 3951 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,2,0,0,0,0|2,0,0]=4 3952 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,2,0,0,0,0|2,0,0]=4 3953 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,2,0,0,0,0|2,0,0]=4 3954 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,2,0,0,0,0|2,0,0]=4 3955 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,2,0,0,0,0|2,0,0]=4 3956 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,2,0,0,0,0|2,0,0]=4 3957 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,2,0,0,0,0|2,0,0]=4 3958 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,2,0,0,0,0|1,0,0]=3 3959 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,2,0,0,0,0|1,0,0]=3 3960 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,2,0,0,0,0|2,0,0]=4 3961 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,2,0,0,0,0|2,0,0]=4 3962 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,2,0,0,0,0|2,0,0]=4 3963 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,2,0,0,0,0|2,0,0]=4 3964 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,2,0,0,0,0|2,0,0]=4 3965 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,2,0,0,0,0|2,0,0]=4 3966 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,2,0,0,0,0|2,0,0]=4 3967 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,2,0,0,0,0|2,0,0]=4 3968 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,2,0,0,0,0|1,0,0]=3 3969 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,2,0,0,0,0|0,1,0]=3 3970 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,2,0,0,0,0|1,1,0]=4 3971 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,2,0,0,0,0|1,0,0]=3 3972 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,2,0,0,0,0|1,0,0]=3 3973 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,2,0,0,0,0|0,0,0]=2 3974 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,2,0,0,0,0|0,0,0]=2 3975 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,2,0,0,0,0|1,0,0]=3 3976 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,2,0,0,0,0|1,0,0]=3 3977 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,2,0,0,0,0|1,1,0]=4 3978 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,2,0,0,0,0|1,1,0]=4 3979 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,2,0,0,0,0|0,0,0]=2 3980 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,2,0,0,0,0|0,0,0]=2 3981 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,2,0,0,0,0|0,1,0]=3 3982 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,2,0,0,0,0|0,1,0]=3 3983 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,2,0,0,0,0|1,0,0]=3 3984 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,2,0,0,0,0|1,0,1]=4 3985 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,2,0,0,0,0|1,0,1]=4 3986 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,2,0,0,0,0|1,0,1]=4 3987 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,2,0,0,0,0|1,0,0]=3 3989 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,2,0,0,0,0|1,0,0]=3 3990 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,2,0,0,0,0|1,0,0]=3 3991 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,2,0,0,0,0|1,0,0]=3 3992 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,2,0,0,0,0|1,0,0]=3 3993 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,2,0,0,0,0|1,1,0]=4 3994 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,2,0,0,0,0|1,1,0]=4 3995 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [0,2,0,0,0,0|1,0,1]=4 3996 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [0,2,0,0,0,0|1,0,1]=4 3997 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,2,0,0,0,0|0,0,0]=2 3998 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,2,0,0,0,0|0,0,0]=2 3999 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,2,0,0,0,0|1,0,1]=4 4000 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,2,0,0,0,0|0,0,2]=4 4002 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,2,0,0,0,0|0,0,2]=4 4003 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,2,0,0,0,0|0,0,2]=4 4004 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,2,0,0,0,0|0,0,2]=4 4005 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,2,0,0,0,0|1,0,0]=3 4006 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,2,0,0,0,0|1,0,0]=3 4007 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,2,0,0,0,0|1,0,0]=3 4008 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,2,0,0,0,0|1,0,1]=4 4009 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,2,0,0,0,0|1,0,1]=4 4010 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,2,0,0,0,0|1,0,1]=4 4011 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,2,0,0,0,0|1,0,1]=4 4012 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,2,0,0,0,0|1,0,1]=4 4013 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,2,0,0,0,0|1,0,1]=4 4014 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,2,0,0,0,0|1,0,1]=4 4015 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,2,0,0,0,0|1,0,1]=4 4016 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,2,0,0,0,0|1,0,1]=4 4017 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,2,0,0,0,0|1,0,1]=4 4018 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,2,0,0,0,0|1,0,1]=4 4019 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,2,0,0,0,0|1,0,0]=3 4020 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,2,0,0,0,0|1,0,0]=3 4021 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,2,0,0,0,0|1,0,0]=3 4022 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,2,0,0,0,0|1,0,0]=3 4023 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,2,0,0,0,0|1,0,0]=3 4024 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,2,0,0,0,0|1,0,0]=3 4025 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,2,0,0,0,0|1,0,0]=3 4026 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,2,0,0,0,0|1,0,1]=4 4027 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,2,0,0,0,0|1,0,1]=4 4028 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,2,0,0,0,0|1,0,0]=3 4029 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,2,0,0,0,0|1,0,0]=3 4030 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,2,0,0,0,0|1,0,0]=3 4031 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|1,0,0]=3 4032 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,2,0,0,0,0|2,0,0]=4 4033 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,2,0,0,0,0|1,0,0]=3 4034 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,2,0,0,0,0|1,0,0]=3 4035 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,2,0,0,0,0|1,0,0]=3 4036 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,2,0,0,0,0|1,0,0]=3 4037 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,2,0,0,0,0|1,0,0]=3 4038 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,2,0,0,0,0|1,0,0]=3 4039 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,2,0,0,0,0|1,0,0]=3 4040 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,2,0,0,0,0|2,0,0]=4 4041 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,2,0,0,0,0|1,0,0]=3 4042 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,2,0,0,0,0|1,0,0]=3 4043 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,2,0,0,0,0|1,0,0]=3 4044 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,2,0,0,0,0|1,0,0]=3 4045 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,2,0,0,0,0|1,0,0]=3 4046 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,2,0,0,0,0|1,0,0]=3 4047 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,2,0,0,0,0|2,0,0]=4 4048 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,2,0,0,0,0|2,0,0]=4 4049 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,2,0,0,0,0|1,0,0]=3 4050 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,2,0,0,0,0|1,0,0]=3 4051 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,2,0,0,0,0|1,0,0]=3 4052 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,2,0,0,0,0|1,0,0]=3 4053 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,2,0,0,0,0|1,0,0]=3 4054 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,2,0,0,0,0|1,0,0]=3 4055 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,2,0,0,0,0|2,0,0]=4 4056 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,2,0,0,0,0|1,0,0]=3 4057 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,2,0,0,0,0|1,0,0]=3 4058 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,2,0,0,0,0|1,0,0]=3 4059 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,2,0,0,0,0|1,0,0]=3 4060 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,2,0,0,0,0|2,0,0]=4 4061 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,2,0,0,0,0|2,0,0]=4 4062 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,2,0,0,0,0|1,0,0]=3 4063 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,2,0,0,0,0|2,0,0]=4 4064 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,2,0,0,0,0|2,0,0]=4 4065 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,2,0,0,0,0|2,0,0]=4 4066 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,2,0,0,0,0|2,0,0]=4 4067 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,2,0,0,0,0|2,0,0]=4 4068 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,2,0,0,0,0|0,1,0]=3 4069 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,2,0,0,0,0|0,1,0]=3 4070 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,2,0,0,0,0|0,1,0]=3 4071 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,2,0,0,0,0|0,1,0]=3 4072 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,2,0,0,0,0|0,1,0]=3 4073 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,2,0,0,0,0|1,1,0]=4 4074 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,2,0,0,0,0|1,1,0]=4 4075 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,2,0,0,0,0|1,1,0]=4 4076 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,2,0,0,0,0|1,1,0]=4 4077 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,2,0,0,0,0|1,1,0]=4 4078 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,2,0,0,0,0|1,1,0]=4 4079 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,2,0,0,0,0|1,1,0]=4 4080 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,2,0,0,0,0|1,1,0]=4 4081 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,2,0,0,0,0|1,1,0]=4 4082 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,2,0,0,0,0|1,1,0]=4 4083 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,2,0,0,0,0|1,1,0]=4 4084 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,2,0,0,0,0|1,1,0]=4 4085 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,2,0,0,0,0|1,1,0]=4 4086 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,2,0,0,0,0|1,1,0]=4 4087 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,2,0,0,0,0|1,1,0]=4 4088 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,2,0,0,0,0|1,0,1]=4 4089 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,2,0,0,0,0|1,0,1]=4 4090 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [0,2,0,0,0,0|1,0,1]=4 4091 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [0,2,0,0,0,0|1,0,1]=4 4092 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,2,0,0,0,0|0,0,0]=2 4093 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,2,0,0,0,0|0,0,0]=2 4094 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,2,0,0,0,0|0,0,0]=2 4095 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,2,0,0,0,0|0,0,0]=2 4096 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,2,0,0,0,0|1,0,1]=4 4097 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,2,0,0,0,0|1,0,1]=4 4098 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,2,0,0,0,0|0,0,2]=4 4099 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,2,0,0,0,0|0,0,2]=4 4100 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,2,0,0,0,0|2,0,0]=4 4101 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,2,0,0,0,0|1,0,0]=3 4102 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,2,0,0,0,0|1,0,0]=3 4103 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,2,0,0,0,0|1,0,0]=3 4104 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,2,0,0,0,0|1,0,0]=3 4105 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,2,0,0,0,0|1,0,0]=3 4106 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,2,0,0,0,0|1,0,0]=3 4107 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,2,0,0,0,0|1,0,0]=3 4108 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,2,0,0,0,0|1,0,0]=3 4109 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,2,0,0,0,0|1,0,0]=3 4110 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,2,0,0,0,0|1,0,0]=3 4111 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,2,0,0,0,0|1,0,0]=3 4112 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,2,0,0,0,0|1,0,0]=3 4113 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,2,0,0,0,0|1,0,0]=3 4114 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,2,0,0,0,0|1,0,0]=3 4115 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,2,0,0,0,0|1,0,1]=4 4116 B8R0.7 CN(C)CCCSCF 62a_100015361967_100000757444 [0,2,0,0,0,0|2,0,0]=4 4117 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,2,0,0,0,0|1,0,0]=3 4118 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,2,0,0,0,0|1,0,0]=3 4119 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,2,0,0,0,0|1,0,0]=3 4120 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,2,0,0,0,0|1,0,0]=3 4121 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,2,0,0,0,0|1,0,0]=3 4122 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,2,0,0,0,0|1,0,0]=3 4123 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,2,0,0,0,0|1,0,0]=3 4124 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,2,0,0,0,0|1,1,0]=4 4125 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,2,0,0,0,0|1,1,0]=4 4126 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,2,0,0,0,0|1,1,0]=4 4127 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,2,0,0,0,0|1,0,0]=3 4128 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,2,0,0,0,0|1,0,0]=3 4129 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,2,0,0,0,0|1,0,0]=3 4130 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,2,0,0,0,0|1,0,0]=3 4131 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,2,0,0,0,0|1,0,0]=3 4132 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,2,0,0,0,0|1,0,0]=3 4133 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,2,0,0,0,0|1,0,0]=3 4134 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,2,0,0,0,0|0,1,0]=3 4135 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,2,0,0,0,0|0,1,0]=3 4136 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,2,0,0,0,0|0,1,0]=3 4137 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,2,0,0,0,0|0,1,0]=3 4138 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,2,0,0,0,0|0,1,1]=4 4139 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,2,0,0,0,0|0,1,1]=4 4140 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,2,0,0,0,0|0,1,0]=3 4141 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,2,0,0,0,0|0,1,0]=3 4142 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,2,0,0,0,0|0,1,0]=3 4143 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,2,0,0,0,0|0,1,0]=3 4144 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,2,0,0,0,0|0,1,0]=3 4145 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,2,0,0,0,0|0,2,0]=4 4146 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,2,0,0,0,0|0,1,0]=3 4147 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,2,0,0,0,0|2,0,0]=4 4148 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,2,0,0,0,0|2,0,0]=4 4149 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,2,0,0,0,0|0,1,0]=3 4150 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,2,0,0,0,0|0,1,0]=3 4151 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|0,1,0]=3 4152 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,2,0,0,0,0|1,1,0]=4 4153 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,2,0,0,0,0|0,1,0]=3 4154 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,2,0,0,0,0|0,1,0]=3 4155 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,2,0,0,0,0|0,1,0]=3 4156 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,2,0,0,0,0|0,1,0]=3 4157 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,2,0,0,0,0|0,1,0]=3 4158 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,2,0,0,0,0|0,1,0]=3 4159 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [0,2,0,0,0,0|1,1,0]=4 4160 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,2,0,0,0,0|0,1,0]=3 4161 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,2,0,0,0,0|0,1,0]=3 4162 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,2,0,0,0,0|0,1,0]=3 4163 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,2,0,0,0,0|0,1,0]=3 4164 B8R0.7 COCCSC[N+](=O)[O-] 62a_100000233755_100000761209 [0,2,0,0,0,0|1,1,0]=4 4165 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,2,0,0,0,0|1,1,0]=4 4166 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,2,0,0,0,0|0,1,0]=3 4167 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,2,0,0,0,0|0,1,0]=3 4168 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,2,0,0,0,0|0,1,0]=3 4169 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,2,0,0,0,0|0,1,0]=3 4170 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,2,0,0,0,0|1,1,0]=4 4171 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,2,0,0,0,0|1,1,0]=4 4172 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,2,0,0,0,0|0,0,2]=4 4173 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,2,0,0,0,0|0,0,2]=4 4174 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,2,0,0,0,0|0,0,0]=2 4175 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,2,0,0,0,0|0,0,0]=2 4176 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,2,0,0,0,0|1,0,1]=4 4177 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,2,0,0,0,0|1,0,1]=4 4178 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,2,0,0,0,0|1,0,1]=4 4179 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,2,0,0,0,0|0,0,0]=2 4180 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,2,0,0,0,0|0,0,0]=2 4181 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,2,0,0,0,0|0,0,0]=2 4182 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,2,0,0,0,0|0,0,0]=2 4183 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,2,0,0,0,0|1,0,1]=4 4184 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,2,0,0,0,0|0,0,0]=2 4185 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,2,0,0,0,0|0,0,0]=2 4186 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,2,0,0,0,0|0,1,0]=3 4187 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,2,0,0,0,0|0,1,0]=3 4188 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,2,0,0,0,0|1,0,1]=4 4189 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,2,0,0,0,0|1,0,1]=4 4190 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,2,0,0,0,0|0,0,0]=2 4191 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,2,0,0,0,0|0,0,0]=2 4192 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,2,0,0,0,0|0,0,0]=2 4193 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,2,0,0,0,0|0,0,0]=2 4194 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|0,0,0]=2 4195 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,2,0,0,0,0|1,0,1]=4 4196 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,2,0,0,0,0|1,0,1]=4 4197 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,2,0,0,0,0|1,0,1]=4 4198 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,2,0,0,0,0|1,0,1]=4 4199 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,2,0,0,0,0|0,0,2]=4 4200 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,2,0,0,0,0|0,0,2]=4 4201 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,2,0,0,0,0|0,0,2]=4 4202 B8R0.7 CSCCNCC(F)F 2230a_100020590264_100011934356 [0,2,0,0,0,0|1,0,1]=4 4203 B8R0.7 CSCCNCC(F)F 34a_100000765723_100000212216 [0,2,0,0,0,0|1,0,1]=4 4204 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,2,0,0,0,0|0,0,2]=4 4205 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,2,0,0,0,0|0,0,0]=2 4206 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,2,0,0,0,0|0,0,0]=2 4207 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,2,0,0,0,0|0,0,0]=2 4208 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,2,0,0,0,0|0,0,0]=2 4209 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,2,0,0,0,0|0,0,0]=2 4210 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,2,0,0,0,0|0,0,0]=2 4211 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,2,0,0,0,0|1,0,1]=4 4212 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,2,0,0,0,0|1,0,1]=4 4213 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,2,0,0,0,0|1,0,1]=4 4214 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,2,0,0,0,0|1,0,1]=4 4215 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,2,0,0,0,0|1,0,1]=4 4216 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,2,0,0,0,0|0,0,2]=4 4217 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,2,0,0,0,0|0,0,2]=4 4218 B8R0.7 CSCCOCC(F)F 34a_100000230434_100011934356 [0,2,0,0,0,0|1,0,1]=4 4219 B8R0.7 CSCCOCC(F)F 34a_100000743014_100000212216 [0,2,0,0,0,0|1,0,1]=4 4220 B8R0.7 CSCCOCC(F)F 62a_200000210301_200012177212 [0,2,0,0,0,0|1,0,1]=4 4221 B8R0.7 CSCCOCC(F)F 62a_200012177212_200000210301 [0,2,0,0,0,0|1,0,1]=4 4222 B8R0.7 CSCCOCC(F)F 7a_100000230434_100011934356 [0,2,0,0,0,0|1,0,1]=4 4223 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,2,0,0,0,0|1,0,1]=4 4224 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,2,0,0,0,0|1,0,1]=4 4225 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,2,0,0,0,0|0,0,2]=4 4226 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,2,0,0,0,0|0,0,2]=4 4227 B8R0.7 CSCCOC[N+](=O)[O-] 34a_100000230434_100000761209 [0,2,0,0,0,0|1,0,0]=3 4228 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,2,0,0,0,0|0,0,0]=2 4229 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,2,0,0,0,0|0,0,0]=2 4230 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,2,0,0,0,0|0,0,0]=2 4231 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,2,0,0,0,0|0,0,0]=2 4232 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,2,0,0,0,0|1,0,1]=4 4233 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,2,0,0,0,0|1,0,1]=4 4234 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,2,0,0,0,0|0,0,2]=4 4235 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,2,0,0,0,0|0,0,2]=4 4236 B8R0.7 CSCCSCC(F)F 62a_100000212216_100011934356 [0,2,0,0,0,0|1,0,1]=4 4237 B8R0.7 CSCCSCC(F)F 62a_100011934356_100000751147 [0,2,0,0,0,0|1,0,1]=4 4238 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,2,0,0,0,0|0,0,2]=4 4239 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,2,0,0,0,0|0,0,2]=4 4240 B8R0.7 CSCCSC[N+](=O)[O-] 62a_100000212216_100000761209 [0,2,0,0,0,0|1,0,0]=3 4241 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,2,0,0,0,0|1,0,1]=4 4242 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,2,0,0,0,0|0,0,2]=4 4243 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,2,0,0,0,0|1,0,0]=3 4244 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [0,2,0,0,0,0|1,0,1]=4 4245 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,2,0,0,0,0|0,0,0]=2 4246 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,2,0,0,0,0|0,0,0]=2 4247 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,2,0,0,0,0|1,0,1]=4 4248 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,2,0,0,0,0|1,0,1]=4 4249 B8R0.7 CSCOCCC(F)F 34a_100103093639_100011218213 [0,2,0,0,0,0|1,0,1]=4 4250 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,2,0,0,0,0|1,0,1]=4 4251 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [0,2,0,0,0,0|1,0,1]=4 4252 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [0,2,0,0,0,0|1,0,1]=4 4253 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,2,0,0,0,0|0,0,0]=2 4254 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,2,0,0,0,0|0,0,0]=2 4255 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,2,0,0,0,0|0,0,0]=2 4256 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,2,0,0,0,0|0,0,0]=2 4257 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,2,0,0,0,0|1,0,1]=4 4258 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,2,0,0,0,0|1,0,1]=4 4259 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,2,0,0,0,0|0,0,2]=4 4260 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,2,0,0,0,0|0,0,2]=4 4261 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [0,2,0,0,0,0|2,0,0]=4 4262 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,2,0,0,0,0|1,0,0]=3 4263 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,2,0,0,0,0|1,0,0]=3 4264 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|1,0,0]=3 4265 B8R0.7 FCSCCC=C(F)F 62a_100015361967_200009816681 [0,2,0,0,0,0|1,0,1]=4 4266 B8R0.7 FCSCCC=C(F)F 62a_200009816681_100015361967 [0,2,0,0,0,0|1,0,1]=4 4267 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,2,0,0,0,0|2,0,0]=4 4268 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,2,0,0,0,0|2,0,0]=4 4269 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,2,0,0,0,0|2,0,0]=4 4270 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,2,0,0,0,0|2,0,0]=4 4271 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,2,0,0,0,0|2,0,0]=4 4272 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,2,0,0,0,0|2,0,0]=4 4273 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,2,0,0,0,0|2,0,0]=4 4274 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,2,0,0,0,0|2,0,0]=4 4275 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,2,0,0,0,0|2,0,0]=4 4276 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,2,0,0,0,0|1,0,1]=4 4277 B8R0.7 N#CSCSCC(=O)N 62a_100000211825_100000747473 [0,2,0,0,0,0|1,0,1]=4 4278 B8R0.7 N#CSCSCC(=O)N 62a_100000747473_100000211825 [0,2,0,0,0,0|1,0,1]=4 4279 B8R0.7 N#CSCSCC(=O)[O-] 62a_100000211825_100020667443 [0,2,0,0,0,0|1,0,1]=4 4280 B8R0.7 N#CSCSCC(=O)[O-] 62a_100020667443_100000211825 [0,2,0,0,0,0|1,0,1]=4 4281 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,2,0,0,0,0|1,0,0]=3 4282 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,2,0,0,0,0|0,0,0]=2 4283 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,2,0,0,0,0|0,0,0]=2 4284 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,2,0,0,0,0|2,0,0]=4 4285 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|2,0,0]=4 4286 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|2,0,0]=4 4287 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,2,0,0,0,0|2,0,0]=4 4288 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,2,0,0,0,0|2,0,0]=4 4289 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,2,0,0,0,0|2,0,0]=4 4290 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,2,0,0,0,0|2,0,0]=4 4291 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,2,0,0,0,0|2,0,0]=4 4292 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,2,0,0,0,0|2,0,0]=4 4293 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,2,0,0,0,0|2,0,0]=4 4294 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,2,0,0,0,0|2,0,0]=4 4295 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,2,0,0,0,0|2,0,0]=4 4296 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,2,0,0,0,0|2,0,0]=4 4297 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,2,0,0,0,0|2,0,0]=4 4298 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,2,0,0,0,0|2,0,0]=4 4299 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,2,0,0,0,0|2,0,0]=4 4300 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,2,0,0,0,0|2,0,0]=4 4301 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,2,0,0,0,0|2,0,0]=4 4302 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,2,0,0,0,0|2,0,0]=4 4303 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,2,0,0,0,0|2,0,0]=4 4304 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,2,0,0,0,0|2,0,0]=4 4305 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,2,0,0,0,0|2,0,0]=4 4306 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,2,0,0,0,0|2,0,0]=4 4307 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,2,0,0,0,0|2,0,0]=4 4308 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,2,0,0,0,0|2,0,0]=4 4309 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,2,0,0,0,0|2,0,0]=4 4310 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,2,0,0,0,0|2,0,0]=4 4311 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,2,0,0,0,0|2,0,0]=4 4312 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,2,0,0,0,0|1,1,0]=4 4313 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,2,0,0,0,0|1,0,0]=3 4314 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,2,0,0,0,0|1,0,0]=3 4315 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,2,0,0,0,0|1,1,0]=4 4316 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,2,0,0,0,0|1,0,0]=3 4317 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,2,0,0,0,0|1,0,0]=3 4318 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,2,0,0,0,0|2,0,0]=4 4319 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,2,0,0,0,0|2,0,0]=4 4320 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,2,0,0,0,0|2,0,0]=4 4321 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,2,0,0,0,0|1,1,0]=4 4322 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,2,0,0,0,0|1,1,0]=4 4323 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|2,0,0]=4 4324 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|2,0,0]=4 4325 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,2,0,0,0,0|2,0,0]=4 4326 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,2,0,0,0,0|2,0,0]=4 4327 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,2,0,0,0,0|2,0,0]=4 4328 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,2,0,0,0,0|2,0,0]=4 4329 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,2,0,0,0,0|2,0,0]=4 4330 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,2,0,0,0,0|2,0,0]=4 4331 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,2,0,0,0,0|2,0,0]=4 4332 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,2,0,0,0,0|2,0,0]=4 4333 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [0,2,0,0,0,0|2,0,0]=4 4334 B8R0.7 O=[N+]([O-])CCCOCF 34a_200000037920_100015361967 [0,2,0,0,0,0|1,1,0]=4 4335 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,2,0,0,0,0|1,0,0]=3 4336 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4337 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,2,0,0,0,0|2,0,0]=4 4338 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,2,0,0,0,0|1,0,0]=3 4339 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,2,0,0,0,0|1,0,0]=3 4340 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,2,0,0,0,0|0,1,0]=3 4341 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,2,0,0,0,0|0,1,0]=3 4342 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,2,0,0,0,0|0,1,1]=4 4343 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,2,0,0,0,0|0,1,1]=4 4344 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,2,0,0,0,0|0,0,2]=4 4345 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,2,0,0,0,0|0,0,2]=4 4346 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,2,0,0,0,0|0,0,0]=2 4347 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,2,0,0,0,0|0,0,0]=2 4348 B8R0.7 [13CH3]SCCOCC(F)F 62a_200012177212_200025704644 [0,2,0,0,0,0|1,0,1]=4 4349 B8R0.7 [13CH3]SCCOCC(F)F 62a_200025704644_200012177212 [0,2,0,0,0,0|1,0,1]=4 4350 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|1,0,1]=4 4351 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 4352 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 4353 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|1,0,1]=4 4354 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [0,2,0,0,0,0|2,0,0]=4 4355 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|2,0,0]=4 4356 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|2,0,0]=4 4357 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|2,0,0]=4 4358 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,2,0,0,0,0|2,0,0]=4 4359 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,2,0,0,0,0|2,0,0]=4 4360 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|1,0,0]=3 4361 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|1,0,0]=3 4362 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|1,0,0]=3 4363 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4364 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4365 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 4366 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 4367 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 4368 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|2,0,0]=4 4369 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|2,0,0]=4 4370 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 4371 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 4372 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|2,0,0]=4 4373 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|2,0,0]=4 4374 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,2,0,0,0,0|2,0,0]=4 4375 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,2,0,0,0,0|2,0,0]=4 4376 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|2,0,0]=4 4377 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|2,0,0]=4 4378 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|2,0,0]=4 4379 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|2,0,0]=4 4380 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|2,0,0]=4 4381 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|2,0,0]=4 4382 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|2,0,0]=4 4383 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|2,0,0]=4 4384 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|2,0,0]=4 4385 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|2,0,0]=4 4386 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|2,0,0]=4 4387 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|2,0,0]=4 4388 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|2,0,0]=4 4389 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|2,0,0]=4 4390 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|2,0,0]=4 4391 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 4392 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,2,0,0,0,0|1,1,0]=4 4393 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,2,0,0,0,0|1,1,0]=4 4394 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,2,0,0,0,0|1,1,0]=4 4395 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,2,0,0,0,0|1,1,0]=4 4396 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|1,1,0]=4 4397 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,2,0,0,0,0|1,1,0]=4 4398 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|1,1,0]=4 4399 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|1,1,0]=4 4400 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,2,0,0,0,0|1,1,0]=4 4401 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,2,0,0,0,0|1,1,0]=4 4402 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,2,0,0,0,0|1,1,0]=4 4403 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,2,0,0,0,0|1,1,0]=4 4404 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,2,0,0,0,0|1,1,0]=4 4405 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,2,0,0,0,0|1,1,0]=4 4406 B8R0.8 CSCCC(=C(F)F)F 62a_100009813398_200000210301 [0,2,0,0,0,0|1,0,1]=4 4407 B8R0.8 CSCCC(=C(F)F)F 62a_200000210301_100009813398 [0,2,0,0,0,0|1,0,1]=4 4408 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,2,0,0,0,0|2,0,0]=4 4409 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|0,0,0]=2 4410 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|0,0,0]=2 4411 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 4412 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 4413 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,2,0,0,0,0|1,0,0]=3 4414 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,2,0,0,0,0|1,0,0]=3 4415 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|1,0,0]=3 4416 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 4417 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 4418 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|1,0,0]=3 4419 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,2,0,0,0,0|1,0,0]=3 4420 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|1,0,0]=3 4421 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|1,0,0]=3 4422 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|1,0,0]=3 4423 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|1,0,0]=3 4424 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,2,0,0,0,0|1,0,0]=3 4425 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,2,0,0,0,0|1,0,0]=3 4426 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,2,0,0,0,0|1,0,0]=3 4427 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,2,0,0,0,0|1,0,0]=3 4428 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_100009813398_200025704644 [0,2,0,0,0,0|1,0,1]=4 4429 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_200025704644_100009813398 [0,2,0,0,0,0|1,0,1]=4 4430 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,2,0,0,0,0|2,0,0]=4 4431 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,2,0,0,0,0|1,0,1]=4 4432 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,2,0,0,0,0|1,0,1]=4 4433 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|1,0,1]=4 4434 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|1,0,0]=3 4435 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|1,0,0]=3 4436 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,2,0,0,0,0|2,0,0]=4 4437 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,2,0,0,0,0|2,0,0]=4 4438 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,2,0,0,0,0|2,0,0]=4 4439 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,2,0,0,0,0|2,0,0]=4 4440 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,2,0,0,0,0|2,0,0]=4 4441 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,2,0,0,0,0|2,0,0]=4 4442 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|2,0,0]=4 4443 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|2,0,0]=4 4444 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,2,0,0,0,0|2,0,0]=4 4445 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,2,0,0,0,0|2,0,0]=4 4446 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,2,0,0,0,0|2,0,0]=4 4447 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,2,0,0,0,0|2,0,0]=4 4448 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,2,0,0,0,0|2,0,0]=4 4449 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,2,0,0,0,0|2,0,0]=4 4450 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,2,0,0,0,0|2,0,0]=4 4451 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,2,0,0,0,0|2,0,0]=4 4452 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,2,0,0,0,0|2,0,0]=4 4453 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,2,0,0,0,0|2,0,0]=4 4454 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,2,0,0,0,0|2,0,0]=4 4455 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,2,0,0,0,0|2,0,0]=4 4456 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,2,0,0,0,0|2,0,0]=4 4457 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,2,0,0,0,0|2,0,0]=4 4458 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,2,0,0,0,0|2,0,0]=4 4459 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,2,0,0,0,0|2,0,0]=4 4460 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|2,0,0]=4 4461 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|2,0,0]=4 4462 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|1,0,1]=4 4463 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 4464 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 4465 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|1,0,1]=4 4466 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,2,0,0,0,0|2,0,0]=4 4467 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|0,1,1]=4 4468 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|0,1,1]=4 4469 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,2,0,0,0,0|1,1,0]=4 4470 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,2,0,0,0,0|1,1,0]=4 4471 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,2,0,0,0,0|1,1,0]=4 4472 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,2,0,0,0,0|1,1,0]=4 4473 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,2,0,0,0,0|1,1,0]=4 4474 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,2,0,0,0,0|1,1,0]=4 4475 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,2,0,0,0,0|1,1,0]=4 4476 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,2,0,0,0,0|1,1,0]=4 4477 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,2,0,0,0,0|1,1,0]=4 4478 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,2,0,0,0,0|1,0,1]=4 4479 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,2,0,0,0,0|1,0,1]=4 4480 B8R0.11 C#CC(CC)OCC=O 34a_100000758843_200009817547 [0,2,0,0,0,0|2,0,0]=4 4481 B8R0.11 C#CC(CC)OCC=O 7a_100000758843_200015260668 [0,2,0,0,0,0|2,0,0]=4 4482 B8R0.11 C=CC(C=C)OCSC 34a_100000033096_100011218213 [0,2,0,0,0,0|2,0,0]=4 4483 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,2,0,0,0,0|2,0,0]=4 4484 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,2,0,0,0,0|2,0,0]=4 4485 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,2,0,0,0,0|2,0,0]=4 4486 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,2,0,0,0,0|2,0,0]=4 4487 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,2,0,0,0,0|2,0,0]=4 4488 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,2,0,0,0,0|2,0,0]=4 4489 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,2,0,0,0,0|2,0,0]=4 4490 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 4491 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 4492 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,2,0,0,0,0|2,0,0]=4 4493 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,2,0,0,0,0|2,0,0]=4 4494 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,2,0,0,0,0|2,0,0]=4 4495 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,2,0,0,0,0|2,0,0]=4 4496 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|1,0,1]=4 4497 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|1,0,1]=4 4498 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|1,0,1]=4 4499 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|1,0,1]=4 4500 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [0,2,0,0,0,0|2,0,0]=4 4501 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [0,2,0,0,0,0|2,0,0]=4 4502 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [0,2,0,0,0,0|2,0,0]=4 4503 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,2,0,0,0,0|2,0,0]=4 4504 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,2,0,0,0,0|0,0,2]=4 4505 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [0,2,0,0,0,0|2,0,0]=4 4506 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [0,2,0,0,0,0|2,0,0]=4 4507 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [0,2,0,0,0,0|2,0,0]=4 4508 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [0,2,0,0,0,0|2,0,0]=4 4509 B8R0.11 COCSC(C=O)C=O 62a_100000736813_100000766300 [0,2,0,0,0,0|1,1,0]=4 4510 B8R0.11 COCSC(C=O)C=O 62a_100000766300_100000736813 [0,2,0,0,0,0|1,1,0]=4 4511 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,2,0,0,0,0|0,0,2]=4 4512 B8R0.11 CSCSC(C=O)C=O 62a_100000736813_100011218213 [0,2,0,0,0,0|1,0,0]=3 4513 B8R0.11 CSCSC(C=O)C=O 62a_100011218213_100000736813 [0,2,0,0,0,0|1,0,0]=3 4514 B8R0.25 C=CC(C)(C)OCSC 34a_100011215311_100011218213 [0,2,0,0,0,0|2,0,0]=4 4515 B8R0.25 C=CC(F)(F)SCSC 62a_100009814244_100011218213 [0,2,0,0,0,0|2,0,0]=4 4516 B8R0.25 C=CC(F)(F)SCSC 62a_100011218213_100009814244 [0,2,0,0,0,0|2,0,0]=4 4517 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [0,2,0,0,0,0|2,0,0]=4 4518 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [0,2,0,0,0,0|2,0,0]=4 4519 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,2,0,0,0,0|2,0,0]=4 4520 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,2,0,0,0,0|2,0,0]=4 4521 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|1,0,1]=4 4522 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 4523 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 4524 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,2,0,0,0,0|2,0,0]=4 4525 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,2,0,0,0,0|2,0,0]=4 4526 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|1,0,1]=4 4527 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|1,0,1]=4 4528 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,2,0,0,0,0|1,0,1]=4 4529 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|1,0,1]=4 4530 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,2,0,0,0,0|2,0,0]=4 4531 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,2,0,0,0,0|2,0,0]=4 4532 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,2,0,0,0,0|2,0,0]=4 4533 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,2,0,0,0,0|2,0,0]=4 4534 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,2,0,0,0,0|2,0,0]=4 4535 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,2,0,0,0,0|2,0,0]=4 4536 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,1]=4 4537 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,1]=4 4538 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,1]=4 4539 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 4540 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|1,0,0]=3 4541 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|1,0,0]=3 4542 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|1,0,0]=3 4543 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 4544 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 4545 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 4546 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|2,0,0]=4 4547 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|2,0,0]=4 4548 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|2,0,0]=4 4549 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|2,0,0]=4 4550 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|2,0,0]=4 4551 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|2,0,0]=4 4552 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|2,0,0]=4 4553 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|2,0,0]=4 4554 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|2,0,0]=4 4555 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|2,0,0]=4 4556 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|1,0,0]=3 4557 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,2,0,0,0,0|0,1,1]=4 4558 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,2,0,0,0,0|0,1,1]=4 4559 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,2,0,0,0,0|1,1,0]=4 4560 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,2,0,0,0,0|1,1,0]=4 4561 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,2,0,0,0,0|1,1,0]=4 4562 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,2,0,0,0,0|1,1,0]=4 4563 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,2,0,0,0,0|1,1,0]=4 4564 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,2,0,0,0,0|1,1,0]=4 4565 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,2,0,0,0,0|0,0,1]=3 4566 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,2,0,0,0,0|0,0,1]=3 4567 B8R0.5 CSCC(=O)C[N+](=O)[O-] 1458a_100000184570_100000761209 [0,2,0,0,0,0|1,0,1]=4 4568 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|1,0,1]=4 4569 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,2,0,0,0,0|1,0,1]=4 4570 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,2,0,0,0,0|2,0,0]=4 4571 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,2,0,0,0,0|2,0,0]=4 4572 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,2,0,0,0,0|1,0,0]=3 4573 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,2,0,0,0,0|1,0,0]=3 4574 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|1,0,0]=3 4575 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,2,0,0,0,0|1,0,1]=4 4576 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [0,2,0,0,0,0|2,0,0]=4 4577 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [0,2,0,0,0,0|2,0,0]=4 4578 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [0,2,0,0,0,0|2,0,0]=4 4579 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [0,2,0,0,0,0|2,0,0]=4 4580 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [0,2,0,0,0,0|2,0,0]=4 4581 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [0,2,0,0,0,0|2,0,0]=4 4582 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [0,2,0,0,0,0|2,0,0]=4 4583 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,2,0,0,0,0|0,0,2]=4 4584 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,2,0,0,0,0|0,0,2]=4 4585 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,2,0,0,0,0|2,0,0]=4 4586 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,2,0,0,0,0|2,0,0]=4 4587 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,2,0,0,0,0|2,0,0]=4 4588 B8R0.21 CC(F)(F)COCC=O 34a_100000068830_200009817547 [0,2,0,0,0,0|2,0,0]=4 4589 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [0,2,0,0,0,0|2,0,0]=4 4590 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [0,2,0,0,0,0|2,0,0]=4 4591 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [0,2,0,0,0,0|2,0,0]=4 4592 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [0,2,0,0,0,0|2,0,0]=4 4593 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [0,2,0,0,0,0|2,0,0]=4 4594 B8R0.21 CNCCCS(=O)(=O)N 2230a_106832991635_100000750626 [0,2,0,0,0,0|2,0,0]=4 4595 B8R0.21 CNCCCS(=O)(=O)N 34a_100102657272_100000750626 [0,2,0,0,0,0|2,0,0]=4 4596 B8R0.21 CNCCCS(=O)(=O)N 7a_106832991635_100000750626 [0,2,0,0,0,0|2,0,0]=4 4597 B8R0.21 CNCCCS(=O)(=O)[O-] 34a_100102657272_100009813499 [0,2,0,0,0,0|2,0,0]=4 4598 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [0,2,0,0,0,0|1,1,0]=4 4599 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [0,2,0,0,0,0|1,1,0]=4 4600 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [0,2,0,0,0,0|1,1,0]=4 4601 B8R0.21 COCCCS(=O)(=O)N 34a_100138415774_100000750626 [0,2,0,0,0,0|1,1,0]=4 4602 B8R0.21 COCCCS(=O)(=O)[O-] 34a_100138415774_100009813499 [0,2,0,0,0,0|1,1,0]=4 4603 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [0,2,0,0,0,0|2,0,0]=4 4604 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [0,2,0,0,0,0|2,0,0]=4 4605 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [0,2,0,0,0,0|1,1,0]=4 4606 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [0,2,0,0,0,0|1,1,0]=4 4607 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [0,2,0,0,0,0|1,0,0]=3 4608 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [0,2,0,0,0,0|1,0,0]=3 4609 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_100000754112_200025704644 [0,2,0,0,0,0|2,0,0]=4 4610 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_200025704644_100000754112 [0,2,0,0,0,0|2,0,0]=4 4611 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200000036756_200025704644 [0,2,0,0,0,0|2,0,0]=4 4612 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200025704644_200000036756 [0,2,0,0,0,0|2,0,0]=4 4613 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,2,0,0,0,0|0,0,2]=4 4614 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,2,0,0,0,0|0,0,2]=4 4615 B8R0.21 CSCCCC(F)(F)F 62a_100011216173_200000210301 [0,2,0,0,0,0|1,0,1]=4 4616 B8R0.21 CSCCCC(F)(F)F 62a_200000210301_100011216173 [0,2,0,0,0,0|1,0,1]=4 4617 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [0,2,0,0,0,0|1,0,0]=3 4618 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [0,2,0,0,0,0|1,0,0]=3 4619 B8R0.21 CSCCCS(=O)(=O)N 62a_100000750626_200000210301 [0,2,0,0,0,0|1,0,0]=3 4620 B8R0.21 CSCCCS(=O)(=O)N 62a_200000210301_100000750626 [0,2,0,0,0,0|1,0,0]=3 4621 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_100009813499_200000210301 [0,2,0,0,0,0|1,0,0]=3 4622 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_200000210301_100009813499 [0,2,0,0,0,0|1,0,0]=3 4623 B8R0.21 CSCCC[N+](C)(C)C 62a_100016990835_200000210301 [0,2,0,0,0,0|2,0,0]=4 4624 B8R0.21 CSCCC[N+](C)(C)C 62a_200000210301_100016990835 [0,2,0,0,0,0|2,0,0]=4 4625 B8R0.21 CSCCC[Si](C)(C)C 62a_100011219597_200000210301 [0,2,0,0,0,0|1,1,0]=4 4626 B8R0.21 CSCCC[Si](C)(C)C 62a_200000210301_100011219597 [0,2,0,0,0,0|1,1,0]=4 4627 B8R0.21 CSCCNS(=O)(=O)C 40a_100020590264_100000738038 [0,2,0,0,0,0|2,0,0]=4 4628 B8R0.21 CSCCNS(=O)(=O)C 62a_100000754112_200000210301 [0,2,0,0,0,0|2,0,0]=4 4629 B8R0.21 CSCCNS(=O)(=O)C 62a_200000210301_100000754112 [0,2,0,0,0,0|2,0,0]=4 4630 B8R0.21 CSCCOS(=O)(=O)C 62a_200000036756_200000210301 [0,2,0,0,0,0|2,0,0]=4 4631 B8R0.21 CSCCOS(=O)(=O)C 62a_200000210301_200000036756 [0,2,0,0,0,0|2,0,0]=4 4632 B8R0.21 CSCSCS(=O)(=O)N 62a_100000741382_100011218213 [0,2,0,0,0,0|2,0,0]=4 4633 B8R0.21 CSCSCS(=O)(=O)N 62a_100011218213_100000741382 [0,2,0,0,0,0|2,0,0]=4 4634 B8R0.21 CSCSCS(=O)(=O)[O-] 62a_100009817235_100011218213 [0,2,0,0,0,0|2,0,0]=4 4635 B8R0.21 CSCSCS(=O)(=O)[O-] 62a_100011218213_100009817235 [0,2,0,0,0,0|2,0,0]=4 4636 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_100016990835_200025704644 [0,2,0,0,0,0|2,0,0]=4 4637 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_200025704644_100016990835 [0,2,0,0,0,0|2,0,0]=4 4638 B8R0.21 C[N+](C)(C)CSCC=O 62a_200000036245_200015260668 [0,2,0,0,0,0|2,0,0]=4 4639 B8R0.21 C[N+](C)(C)CSCC=O 62a_200015260668_200000036245 [0,2,0,0,0,0|2,0,0]=4 4640 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_100011219597_200025704644 [0,2,0,0,0,0|1,1,0]=4 4641 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_200025704644_100011219597 [0,2,0,0,0,0|1,1,0]=4 4642 B8R0.21 C[Si](C)(C)CSCC=O 62a_100000037933_200015260668 [0,2,0,0,0,0|2,0,0]=4 4643 B8R0.21 C[Si](C)(C)CSCC=O 62a_200015260668_100000037933 [0,2,0,0,0,0|2,0,0]=4 4644 B8R0.21 [13CH3]SCCCC(F)(F)F 62a_100011216173_200025704644 [0,2,0,0,0,0|1,0,1]=4 4645 B8R0.21 [13CH3]SCCCC(F)(F)F 62a_200025704644_100011216173 [0,2,0,0,0,0|1,0,1]=4 4646 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_100000750626_200025704644 [0,2,0,0,0,0|1,0,0]=3 4647 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_200025704644_100000750626 [0,2,0,0,0,0|1,0,0]=3 4648 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_100009813499_200025704644 [0,2,0,0,0,0|1,0,0]=3 4649 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_200025704644_100009813499 [0,2,0,0,0,0|1,0,0]=3 4650 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,2,0,0,0,0|2,0,0]=4 4651 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,2,0,0,0,0|2,0,0]=4 4652 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,2,0,0,0,0|2,0,0]=4 4653 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,2,0,0,0,0|2,0,0]=4 4654 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,2,0,0,0,0|2,0,0]=4 4655 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,2,0,0,0,0|2,0,0]=4 4656 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,2,0,0,0,0|2,0,0]=4 4657 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,2,0,0,0,0|2,0,0]=4 4658 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,2,0,0,0,0|2,0,0]=4 4659 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,2,0,0,0,0|1,0,1]=4 4660 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,2,0,0,0,0|1,0,0]=3 4661 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,2,0,0,0,0|1,0,0]=3 4662 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,2,0,0,0,0|1,0,0]=3 4663 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4664 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,2,0,0,0,0|1,0,0]=3 4665 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,2,0,0,0,0|1,0,0]=3 4666 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,2,0,0,0,0|1,0,0]=3 4667 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,2,0,0,0,0|2,0,0]=4 4668 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,2,0,0,0,0|2,0,0]=4 4669 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,2,0,0,0,0|2,0,0]=4 4670 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,2,0,0,0,0|2,0,0]=4 4671 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,2,0,0,0,0|2,0,0]=4 4672 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,2,0,0,0,0|2,0,0]=4 4673 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,2,0,0,0,0|2,0,0]=4 4674 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,2,0,0,0,0|2,0,0]=4 4675 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,2,0,0,0,0|2,0,0]=4 4676 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,2,0,0,0,0|2,0,0]=4 4677 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,2,0,0,0,0|2,0,0]=4 4678 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,2,0,0,0,0|2,0,0]=4 4679 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,2,0,0,0,0|2,0,0]=4 4680 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,2,0,0,0,0|2,0,0]=4 4681 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,2,0,0,0,0|2,0,0]=4 4682 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,2,0,0,0,0|2,0,0]=4 4683 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,2,0,0,0,0|2,0,0]=4 4684 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,2,0,0,0,0|2,0,0]=4 4685 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,2,0,0,0,0|2,0,0]=4 4686 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,2,0,0,0,0|2,0,0]=4 4687 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,2,0,0,0,0|2,0,0]=4 4688 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,2,0,0,0,0|2,0,0]=4 4689 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,2,0,0,0,0|2,0,0]=4 4690 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,2,0,0,0,0|2,0,0]=4 4691 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,2,0,0,0,0|2,0,0]=4 4692 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,2,0,0,0,0|2,0,0]=4 4693 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,2,0,0,0,0|2,0,0]=4 4694 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,2,0,0,0,0|2,0,0]=4 4695 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,2,0,0,0,0|2,0,0]=4 4696 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,2,0,0,0,0|2,0,0]=4 4697 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,2,0,0,0,0|2,0,0]=4 4698 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,2,0,0,0,0|2,0,0]=4 4699 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,2,0,0,0,0|2,0,0]=4 4700 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,2,0,0,0,0|2,0,0]=4 4701 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,2,0,0,0,0|2,0,0]=4 4702 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,2,0,0,0,0|2,0,0]=4 4703 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,2,0,0,0,0|2,0,0]=4 4704 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,2,0,0,0,0|2,0,0]=4 4705 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,2,0,0,0,0|2,0,0]=4 4706 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4707 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,2,0,0,0,0|2,0,0]=4 4708 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,2,0,0,0,0|2,0,0]=4 4709 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,2,0,0,0,0|2,0,0]=4 4710 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|2,0,0]=4 4711 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,2,0,0,0,0|2,0,0]=4 4712 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,2,0,0,0,0|2,0,0]=4 4713 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,2,0,0,0,0|2,0,0]=4 4714 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,2,0,0,0,0|2,0,0]=4 4715 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,2,0,0,0,0|2,0,0]=4 4716 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,2,0,0,0,0|2,0,0]=4 4717 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,2,0,0,0,0|2,0,0]=4 4718 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,2,0,0,0,0|2,0,0]=4 4719 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,2,0,0,0,0|2,0,0]=4 4720 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,2,0,0,0,0|2,0,0]=4 4721 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,2,0,0,0,0|2,0,0]=4 4722 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,2,0,0,0,0|2,0,0]=4 4723 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,2,0,0,0,0|2,0,0]=4 4724 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,2,0,0,0,0|2,0,0]=4 4725 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,2,0,0,0,0|2,0,0]=4 4726 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,2,0,0,0,0|2,0,0]=4 4727 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,2,0,0,0,0|2,0,0]=4 4728 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,2,0,0,0,0|2,0,0]=4 4729 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,2,0,0,0,0|2,0,0]=4 4730 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|2,0,0]=4 4731 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,2,0,0,0,0|2,0,0]=4 4732 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|2,0,0]=4 4733 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,2,0,0,0,0|2,0,0]=4 4734 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,2,0,0,0,0|2,0,0]=4 4735 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,2,0,0,0,0|2,0,0]=4 4736 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,2,0,0,0,0|2,0,0]=4 4737 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,2,0,0,0,0|1,0,0]=3 4738 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,2,0,0,0,0|1,0,0]=3 4739 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,2,0,0,0,0|2,0,0]=4 4740 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,2,0,0,0,0|2,0,0]=4 4741 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,2,0,0,0,0|2,0,0]=4 4742 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,2,0,0,0,0|1,0,0]=3 4743 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,2,0,0,0,0|2,0,0]=4 4744 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,2,0,0,0,0|2,0,0]=4 4745 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,2,0,0,0,0|2,0,0]=4 4746 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,2,0,0,0,0|2,0,0]=4 4747 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,2,0,0,0,0|2,0,0]=4 4748 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,2,0,0,0,0|2,0,0]=4 4749 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,2,0,0,0,0|2,0,0]=4 4750 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,2,0,0,0,0|2,0,0]=4 4751 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,2,0,0,0,0|2,0,0]=4 4752 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,2,0,0,0,0|2,0,0]=4 4753 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,2,0,0,0,0|2,0,0]=4 4754 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,2,0,0,0,0|2,0,0]=4 4755 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,2,0,0,0,0|2,0,0]=4 4756 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,2,0,0,0,0|2,0,0]=4 4757 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,2,0,0,0,0|2,0,0]=4 4758 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,2,0,0,0,0|2,0,0]=4 4759 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,2,0,0,0,0|2,0,0]=4 4760 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 4761 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 4762 B8R0.22 COC(CSC)CSC 7a_200000036665_200000210301 [0,2,0,0,0,0|2,0,0]=4 4763 B8R0.22 CSCC(CSC)O[13CH3] 7a_200000036665_200025704644 [0,2,0,0,0,0|2,0,0]=4 4764 B8R0.30 C=CC[Si](C)(C)CSC 62a_100000046978_200000210301 [0,2,0,0,0,0|1,1,0]=4 4765 B8R0.30 C=CC[Si](C)(C)CSC 62a_200000210301_100000046978 [0,2,0,0,0,0|1,1,0]=4 4766 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_100000046978_200025704644 [0,2,0,0,0,0|1,1,0]=4 4767 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_200025704644_100000046978 [0,2,0,0,0,0|1,1,0]=4 4768 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|1,0,1]=4 4769 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|1,0,1]=4 4770 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,1,0,0|1,0,1]=4 4771 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,1,0,0|1,0,1]=4 4772 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|1,0,1]=4 4773 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|1,0,1]=4 4774 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,1,0,0|1,0,1]=4 4775 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,1,0,0|1,0,1]=4 4776 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|1,0,1]=4 4777 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|1,0,1]=4 4778 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|1,0,1]=4 4779 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|1,0,1]=4 4780 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|1,0,1]=4 4781 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|1,0,1]=4 4782 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [1,0,0,1,0,0|1,0,1]=4 4783 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [1,0,0,1,0,0|1,0,1]=4 4784 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [1,0,0,1,0,0|1,0,1]=4 4785 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [1,0,0,1,0,0|1,0,1]=4 4786 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [1,0,0,1,0,0|1,0,1]=4 4787 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|0,1,1]=4 4788 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|0,1,1]=4 4789 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|0,1,1]=4 4790 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|0,1,1]=4 4791 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|0,0,1]=3 4792 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|0,0,1]=3 4793 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|0,0,1]=3 4794 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|0,0,1]=3 4795 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [1,0,0,1,0,0|0,1,0]=3 4796 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [1,0,0,1,0,0|0,1,0]=3 4797 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|0,0,1]=3 4798 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|0,0,1]=3 4799 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|1,0,1]=4 4800 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|1,0,1]=4 4801 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|0,1,1]=4 4802 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|0,1,1]=4 4803 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|0,0,1]=3 4804 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|0,0,1]=3 4805 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|0,0,1]=3 4806 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|0,0,1]=3 4807 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [1,0,0,1,0,0|0,1,0]=3 4808 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [1,0,0,1,0,0|0,1,0]=3 4809 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|0,0,1]=3 4810 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|0,0,1]=3 4811 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 4812 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 4813 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 4814 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 4815 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 4816 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|1,0,1]=4 4817 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 4818 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|1,0,1]=4 4819 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|0,1,1]=4 4820 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|0,1,1]=4 4821 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [1,0,0,1,0,0|1,0,1]=4 4822 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|0,0,1]=3 4823 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|1,0,1]=4 4824 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 4825 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 4826 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|0,1,1]=4 4827 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [1,0,0,1,0,0|1,0,1]=4 4828 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|0,0,1]=3 4829 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|1,0,1]=4 4830 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [1,0,0,1,0,0|2,0,0]=4 4831 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 4832 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 4833 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [1,0,0,1,0,0|2,0,0]=4 4834 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 4835 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 4836 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|2,0,0]=4 4837 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|2,0,0]=4 4838 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,1,0,0|1,0,1]=4 4839 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 4840 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,1,0,0|2,0,0]=4 4841 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 4842 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,1,0,0|2,0,0]=4 4843 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,1,0,0|2,0,0]=4 4844 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|1,1,0]=4 4845 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,1,0,0|1,1,0]=4 4846 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,1,0,0|0,0,2]=4 4847 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,1,0,0|2,0,0]=4 4848 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,1,0,0|2,0,0]=4 4849 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,1,0,0|2,0,0]=4 4850 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|1,0,0]=3 4851 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|1,0,0]=3 4852 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|1,0,1]=4 4853 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|1,0,1]=4 4854 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|0,0,2]=4 4855 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|1,0,1]=4 4856 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|1,0,1]=4 4857 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 4858 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 4859 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|1,1,0]=4 4860 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,1,0,0|1,1,0]=4 4861 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,1,0,0|0,0,2]=4 4862 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,1,0,0|2,0,0]=4 4863 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,1,0,0|2,0,0]=4 4864 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|1,0,0]=3 4865 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|1,0,0]=3 4866 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|1,0,1]=4 4867 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|1,0,1]=4 4868 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|0,0,2]=4 4869 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|1,0,1]=4 4870 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|1,0,1]=4 4871 B8R1.8 C#CCN1CCSC1 2230a_100011215254_100000038162 [0,1,0,1,0,0|1,0,1]=4 4872 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,1,0,1,0,0|2,0,0]=4 4873 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,1,0,1,0,0|2,0,0]=4 4874 B8R1.8 C=CCN1CCSC1 2230a_100011215254_100000210623 [0,1,0,1,0,0|1,0,0]=3 4875 B8R1.8 C=CCN1CCSC1 269982a_100011215254_100000210623 [0,1,0,1,0,0|1,0,0]=3 4876 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,1,0,1,0,0|1,0,1]=4 4877 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,1,0,1,0,0|1,0,1]=4 4878 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,1,0,1,0,0|1,0,1]=4 4879 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,1,0,1,0,0|1,0,1]=4 4880 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|1,0,1]=4 4881 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|1,0,1]=4 4882 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,1,0,1,0,0|2,0,0]=4 4883 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,1,0,1,0,0|1,1,0]=4 4884 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [0,1,0,1,0,0|2,0,0]=4 4885 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [0,1,0,1,0,0|2,0,0]=4 4886 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|1,0,1]=4 4887 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|1,0,1]=4 4888 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|0,0,2]=4 4889 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|0,0,2]=4 4890 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,1,0,1,0,0|0,0,2]=4 4891 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,1,0,1,0,0|0,0,2]=4 4892 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,1,0,1,0,0|0,0,2]=4 4893 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,1,0,1,0,0|0,0,2]=4 4894 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [0,1,0,1,0,0|1,0,1]=4 4895 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,1,0,1,0,0|1,0,1]=4 4896 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,1,0,1,0,0|1,0,1]=4 4897 B8R1.8 CSCN1CCSC1 2230a_100011215254_100011218213 [0,1,0,1,0,0|2,0,0]=4 4898 B8R1.8 CSCN1CCSC1 269982a_100011215254_100011218213 [0,1,0,1,0,0|2,0,0]=4 4899 B8R1.8 FCCN1CCSC1 2230a_100011215254_100011217306 [0,1,0,1,0,0|1,0,1]=4 4900 B8R1.8 FCCN1CCSC1 269982a_100011215254_100011217306 [0,1,0,1,0,0|1,0,1]=4 4901 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,1,0,1,0,0|1,0,1]=4 4902 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|1,0,1]=4 4903 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|1,0,1]=4 4904 B8R1.8 FCSC1CCOC1 62a_100015361967_100000690089 [0,1,0,1,0,0|2,0,0]=4 4905 B8R1.8 N#CCN1CCSC1 2230a_100011215254_100011215382 [0,1,0,1,0,0|1,0,1]=4 4906 B8R1.8 N#CCN1CCSC1 269982a_100011215254_100011214920 [0,1,0,1,0,0|1,0,1]=4 4907 B8R1.8 O=CCN1CC=CC1 269982a_100015195280_200015260668 [0,1,0,1,0,0|1,0,1]=4 4908 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|1,0,0]=3 4909 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|1,0,0]=3 4910 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,1,0,1,0,0|0,0,0]=2 4911 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,1,0,1,0,0|0,0,0]=2 4912 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,1,0,1,0,0|0,0,2]=4 4913 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,1,0,1,0,0|0,0,2]=4 4914 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,1,0,1,0,0|1,1,0]=4 4915 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|1,0,1]=4 4916 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|1,0,1]=4 4917 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|0,0,2]=4 4918 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|0,0,2]=4 4919 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,1,0,1,0,0|0,0,2]=4 4920 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,1,0,1,0,0|0,0,2]=4 4921 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,1,0,1,0,0|0,0,2]=4 4922 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,1,0,1,0,0|0,0,2]=4 4923 B8R1.9 CSCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218213 [0,1,0,1,0,0|1,0,1]=4 4924 B8R1.9 CSCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218213 [0,1,0,1,0,0|1,0,1]=4 4925 B8R1.9 CSCN[C@@H]1C[C@H]1F 34a_100025746932_100011218213 [0,1,0,1,0,0|1,0,1]=4 4926 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,1,0,1,0,0|2,0,0]=4 4927 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,1,0,1,0,0|2,0,0]=4 4928 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,1,0,1,0,0|2,0,0]=4 4929 B8R1.10 C#CCOC1CSC1 7a_100000072292_100000038162 [0,1,0,1,0,0|1,0,1]=4 4930 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [0,1,0,1,0,0|2,0,0]=4 4931 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [0,1,0,1,0,0|2,0,0]=4 4932 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [0,1,0,1,0,0|2,0,0]=4 4933 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [0,1,0,1,0,0|2,0,0]=4 4934 B8R1.10 C=CCNC1COC1 2230a_100016991112_100000210623 [0,1,0,1,0,0|1,1,0]=4 4935 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [0,1,0,1,0,0|2,0,0]=4 4936 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [0,1,0,1,0,0|2,0,0]=4 4937 B8R1.10 C=CCOC1COC1 34a_200000210373_100009818527 [0,1,0,1,0,0|1,1,0]=4 4938 B8R1.10 C=CCOC1CSC1 7a_100000072292_100015514636 [0,1,0,1,0,0|1,0,0]=3 4939 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,1,0,1,0,0|2,0,0]=4 4940 B8R1.10 C=CCSC1COC1 62a_100000210623_100009818527 [0,1,0,1,0,0|1,1,0]=4 4941 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [0,1,0,1,0,0|1,0,1]=4 4942 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,1,0,1,0,0|1,0,1]=4 4943 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,1,0,1,0,0|1,0,1]=4 4944 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,1,0,1,0,0|0,0,2]=4 4945 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,1,0,1,0,0|0,0,2]=4 4946 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [0,1,0,1,0,0|2,0,0]=4 4947 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [0,1,0,1,0,0|2,0,0]=4 4948 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,1,0,1,0,0|1,0,1]=4 4949 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [0,1,0,1,0,0|1,0,1]=4 4950 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [0,1,0,1,0,0|1,0,1]=4 4951 B8R1.10 CSCNC1COC1 2230a_100016991112_100011218213 [0,1,0,1,0,0|2,0,0]=4 4952 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [0,1,0,1,0,0|1,0,1]=4 4953 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [0,1,0,1,0,0|1,0,1]=4 4954 B8R1.10 CSCSC1COC1 62a_100011218213_100009818527 [0,1,0,1,0,0|2,0,0]=4 4955 B8R1.10 FCCOC1CSC1 7a_100000072292_100011217306 [0,1,0,1,0,0|1,0,1]=4 4956 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [0,1,0,1,0,0|1,0,1]=4 4957 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [0,1,0,1,0,0|1,0,1]=4 4958 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [0,1,0,1,0,0|0,0,2]=4 4959 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [0,1,0,1,0,0|0,0,2]=4 4960 B8R1.10 FCSCC1COC1 62a_100010264016_100015361967 [0,1,0,1,0,0|2,0,0]=4 4961 B8R1.10 FCSCC1COC1 62a_100015361967_100010264016 [0,1,0,1,0,0|2,0,0]=4 4962 B8R1.10 N#CCOC1CSC1 7a_100000072292_100011215382 [0,1,0,1,0,0|1,0,1]=4 4963 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,1,0,1,0,0|1,0,0]=3 4964 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,1,0,1,0,0|1,0,0]=3 4965 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [0,1,0,1,0,0|0,1,0]=3 4966 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,1,0,1,0,0|1,0,0]=3 4967 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [0,1,0,1,0,0|0,0,0]=2 4968 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,1,0,1,0,0|1,0,0]=3 4969 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [0,1,0,1,0,0|0,1,0]=3 4970 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [0,1,0,1,0,0|0,0,2]=4 4971 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 4972 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 4973 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 4974 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 4975 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 4976 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 4977 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|1,0,0]=3 4978 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 4979 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 4980 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 4981 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,1,0]=3 4982 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,1,0]=3 4983 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,1,0]=3 4984 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|0,1,0]=3 4985 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,0]=2 4986 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,0]=2 4987 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,0]=2 4988 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,0]=2 4989 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|0,0,2]=4 4990 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|0,0,2]=4 4991 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|0,0,2]=4 4992 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|0,0,2]=4 4993 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 4994 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 4995 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 4996 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 4997 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,1,0]=3 4998 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|0,1,0]=3 4999 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,0]=2 5000 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,0]=2 5001 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,0]=2 5002 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,0]=2 5003 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|0,0,2]=4 5004 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|0,0,2]=4 5005 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|0,0,2]=4 5006 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|0,0,2]=4 5007 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,1,0,1,0,0|2,0,0]=4 5008 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,1,0,1,0,0|2,0,0]=4 5009 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,1,0,1,0,0|1,0,0]=3 5010 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,1,0,1,0,0|1,0,0]=3 5011 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,1,0]=3 5012 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,0,0]=2 5013 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,0,0]=2 5014 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [0,1,0,1,0,0|1,0,1]=4 5015 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [0,1,0,1,0,0|1,0,1]=4 5016 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|0,0,0]=2 5017 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|0,0,0]=2 5018 B8R1.36 C#CCSCC1CS1 62a_100000038162_100000031435 [0,1,0,1,0,0|1,0,1]=4 5019 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [0,1,0,1,0,0|2,0,0]=4 5020 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [0,1,0,1,0,0|2,0,0]=4 5021 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [0,1,0,1,0,0|2,0,0]=4 5022 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [0,1,0,1,0,0|2,0,0]=4 5023 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [0,1,0,1,0,0|2,0,0]=4 5024 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [0,1,0,1,0,0|2,0,0]=4 5025 B8R1.36 C=CCNCC1CO1 2230a_100020586998_100011216344 [0,1,0,1,0,0|1,1,0]=4 5026 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [0,1,0,1,0,0|2,0,0]=4 5027 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [0,1,0,1,0,0|2,0,0]=4 5028 B8R1.36 C=CCOCC1CO1 34a_200000210373_102125554688 [0,1,0,1,0,0|1,1,0]=4 5029 B8R1.36 C=CCOC[C@@H]1CO1 34a_100000757423_100015514636 [0,1,0,1,0,0|1,1,0]=4 5030 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [0,1,0,1,0,0|2,0,0]=4 5031 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [0,1,0,1,0,0|2,0,0]=4 5032 B8R1.36 C=CCSCC1CO1 62a_100000210623_102125554688 [0,1,0,1,0,0|1,1,0]=4 5033 B8R1.36 C=CCSCC1CO1 62a_102125554688_100000210623 [0,1,0,1,0,0|1,1,0]=4 5034 B8R1.36 C=CCSCC1CS1 62a_100000031435_100000210623 [0,1,0,1,0,0|1,0,0]=3 5035 B8R1.36 C=CCSCC1CS1 62a_100000210623_100000031435 [0,1,0,1,0,0|1,0,0]=3 5036 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000210623_100000745022 [0,1,0,1,0,0|1,1,0]=4 5037 B8R1.36 C=CCSC[C@@H]1CO1 62a_100000745022_100000210623 [0,1,0,1,0,0|1,1,0]=4 5038 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,1,0,1,0,0|1,0,1]=4 5039 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,1,0,1,0,0|1,0,1]=4 5040 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,1,0,1,0,0|1,0,1]=4 5041 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,1,0,1,0,0|1,0,1]=4 5042 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [0,1,0,1,0,0|0,0,2]=4 5043 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [0,1,0,1,0,0|0,0,2]=4 5044 B8R1.36 COCSCC1CS1 62a_100000031435_100000766300 [0,1,0,1,0,0|2,0,0]=4 5045 B8R1.36 COCSCC1CS1 62a_100000766300_100000031435 [0,1,0,1,0,0|2,0,0]=4 5046 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,1,0,1,0,0|0,0,2]=4 5047 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,1,0,1,0,0|0,0,2]=4 5048 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [0,1,0,1,0,0|1,0,1]=4 5049 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [0,1,0,1,0,0|1,0,1]=4 5050 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [0,1,0,1,0,0|1,0,1]=4 5051 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [0,1,0,1,0,0|1,0,1]=4 5052 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [0,1,0,1,0,0|1,0,1]=4 5053 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [0,1,0,1,0,0|1,0,1]=4 5054 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [0,1,0,1,0,0|0,0,2]=4 5055 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [0,1,0,1,0,0|1,0,1]=4 5056 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [0,1,0,1,0,0|1,0,1]=4 5057 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [0,1,0,1,0,0|0,0,2]=4 5058 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [0,1,0,1,0,0|0,0,2]=4 5059 B8R1.36 CSCSCC1CS1 62a_100000031435_100011218213 [0,1,0,1,0,0|0,1,1]=4 5060 B8R1.36 CSCSCC1CS1 62a_100011218213_100000031435 [0,1,0,1,0,0|0,1,1]=4 5061 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [0,1,0,1,0,0|0,0,2]=4 5062 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [0,1,0,1,0,0|0,0,2]=4 5063 B8R1.36 FCCSCC1CS1 62a_100000031435_100011217306 [0,1,0,1,0,0|1,0,1]=4 5064 B8R1.36 FCCSCC1CS1 62a_100011217306_100000031435 [0,1,0,1,0,0|1,0,1]=4 5065 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [0,1,0,1,0,0|1,0,1]=4 5066 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [0,1,0,1,0,0|1,0,1]=4 5067 B8R1.36 FCSCCC1CO1 62a_100000732470_100015361967 [0,1,0,1,0,0|0,0,2]=4 5068 B8R1.36 FCSCCC1CO1 62a_100015361967_100000732470 [0,1,0,1,0,0|0,0,2]=4 5069 B8R1.36 N#CCSCC1CS1 62a_100000031435_100011215382 [0,1,0,1,0,0|1,0,1]=4 5070 B8R1.36 N#CCSCC1CS1 62a_100011215382_100000031435 [0,1,0,1,0,0|1,0,1]=4 5071 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,1,0,1,0,0|1,0,0]=3 5072 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,1,0,1,0,0|1,0,0]=3 5073 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,1,0,1,0,0|1,0,0]=3 5074 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,1,0,1,0,0|0,1,0]=3 5075 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,1,0,1,0,0|1,0,0]=3 5076 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,1,0,1,0,0|1,0,0]=3 5077 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,1,0,1,0,0|0,1,0]=3 5078 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,1,0,1,0,0|0,1,0]=3 5079 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,1,0,1,0,0|0,0,0]=2 5080 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,1,0,1,0,0|0,0,0]=2 5081 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,1,0,1,0,0|0,1,0]=3 5082 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,1,0,1,0,0|0,1,0]=3 5083 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [0,1,0,1,0,0|0,0,2]=4 5084 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [0,1,0,1,0,0|0,0,2]=4 5085 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,1,0,1,0,0|0,0,2]=4 5086 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,1,0,1,0,0|0,0,2]=4 5087 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,1,0,0|2,0,0]=4 5088 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|2,0,0]=4 5089 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|2,0,0]=4 5090 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|0,1,0]=3 5091 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|1,1,0]=4 5092 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,1,0]=4 5093 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,1,0,0|2,0,0]=4 5094 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,0,0]=3 5095 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|2,0,0]=4 5096 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|0,1,0]=3 5097 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|1,1,0]=4 5098 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,0,0]=3 5099 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,1,0,1,0,0|1,0,1]=4 5100 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [0,1,0,1,0,0|2,0,0]=4 5101 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [0,1,0,1,0,0|2,0,0]=4 5102 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,1,0,1,0,0|0,0,2]=4 5103 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,1,0,1,0,0|0,0,2]=4 5104 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,1,0,1,0,0|0,0,2]=4 5105 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,1,0,1,0,0|0,0,2]=4 5106 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|2,0,0]=4 5107 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|2,0,0]=4 5108 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|2,0,0]=4 5109 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|2,0,0]=4 5110 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 5111 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 5112 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 5113 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 5114 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,1,0,1,0,0|1,1,0]=4 5115 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,1,0,1,0,0|1,1,0]=4 5116 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,1,0,1,0,0|2,0,0]=4 5117 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,1,0,1,0,0|2,0,0]=4 5118 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,1,0,1,0,0|2,0,0]=4 5119 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,1,0,0|2,0,0]=4 5120 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 5121 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 5122 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,1,0,1,0,0|0,1,0]=3 5123 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,1,0,0|0,0,0]=2 5124 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,1,0,0|0,0,0]=2 5125 B8R1.6 O=CCN1CC(C1)F 2230a_100000690557_200015260668 [0,1,0,1,0,0|2,0,0]=4 5126 B8R1.6 O=CCN1CC(C1)F 269982a_100000690557_200015260668 [0,1,0,1,0,0|2,0,0]=4 5127 B8R1.6 O=CCN1CC(C1)F 34a_100000690557_200009817547 [0,1,0,1,0,0|2,0,0]=4 5128 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,1,0,1,0,0|2,0,0]=4 5129 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,1,0,1,0,0|0,1,0]=3 5130 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,1,0,0|0,0,0]=2 5131 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,1,0,0|0,0,0]=2 5132 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|1,0,1]=4 5133 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|1,0,0]=3 5134 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|1,0,0]=3 5135 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|2,0,0]=4 5136 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|0,1,0]=3 5137 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|0,1,0]=3 5138 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|2,0,0]=4 5139 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|2,0,0]=4 5140 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,1,0,1,0,0|1,0,0]=3 5141 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,1,0,1,0,0|1,0,0]=3 5142 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,1,0,1,0,0|1,0,0]=3 5143 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|2,0,0]=4 5144 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [0,1,0,1,0,0|2,0,0]=4 5145 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|1,0,1]=4 5146 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|1,0,0]=3 5147 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|2,0,0]=4 5148 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|0,1,0]=3 5149 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|2,0,0]=4 5150 B8R1.27 CSCC1CC1(F)F 62a_100009817841_200000210301 [0,1,0,1,0,0|1,0,1]=4 5151 B8R1.27 CSCC1CC1(F)F 62a_200000210301_100009817841 [0,1,0,1,0,0|1,0,1]=4 5152 B8R1.27 [13CH3]SCC1CC1(F)F 62a_100009817841_200025704644 [0,1,0,1,0,0|1,0,1]=4 5153 B8R1.27 [13CH3]SCC1CC1(F)F 62a_200025704644_100009817841 [0,1,0,1,0,0|1,0,1]=4 5154 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|1,0,0]=3 5155 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 5156 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 5157 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,1,0,0|2,0,0]=4 5158 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|1,0,0]=3 5159 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|1,0,0]=3 5160 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|1,0,0]=3 5161 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|1,0,0]=3 5162 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|1,0,0]=3 5163 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|2,0,0]=4 5164 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,1,0,1,0,0|0,1,0]=3 5165 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,1,0,1,0,0|0,1,0]=3 5166 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 5167 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 5168 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 5169 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,1,0,1,0,0|2,0,0]=4 5170 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,1,0,1,0,0|1,1,0]=4 5171 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,1,0,1,0,0|1,1,0]=4 5172 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,1,0,1,0,0|1,1,0]=4 5173 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,1,0,1,0,0|1,1,0]=4 5174 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,1,0,1,0,0|1,0,0]=3 5175 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,1,0,1,0,0|1,0,0]=3 5176 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,1,0,1,0,0|1,0,0]=3 5177 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,1,0,1,0,0|1,0,0]=3 5178 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,1,0,1,0,0|2,0,0]=4 5179 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,1,0,1,0,0|2,0,0]=4 5180 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|1,0,0]=3 5181 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,1,0,1,0,0|0,1,0]=3 5182 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,1,0,1,0,0|1,0,0]=3 5183 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,1,0,1,0,0|1,0,0]=3 5184 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,1,0,1,0,0|0,1,0]=3 5185 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,1,0,1,0,0|2,0,0]=4 5186 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,1,0,1,0,0|2,0,0]=4 5187 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,1,0,1,0,0|2,0,0]=4 5188 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,1,0,1,0,0|2,0,0]=4 5189 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,1,0,1,0,0|2,0,0]=4 5190 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,1,0,1,0,0|2,0,0]=4 5191 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,1,0,1,0,0|2,0,0]=4 5192 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|2,0,0]=4 5193 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,1,0,1,0,0|2,0,0]=4 5194 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,1,0,1,0,0|2,0,0]=4 5195 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,1,0,1,0,0|1,0,0]=3 5196 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,1,0,1,0,0|2,0,0]=4 5197 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|1,0,0]=3 5198 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|1,0,0]=3 5199 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,1,0,1,0,0|2,0,0]=4 5200 B8R1.37 CN(CC=O)C1CC1 2230a_100000226674_200015260668 [0,1,0,1,0,0|2,0,0]=4 5201 B8R1.37 CN(CC=O)C1CC1 269982a_100000226674_200015260668 [0,1,0,1,0,0|2,0,0]=4 5202 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,1,0,1,0,0|1,0,1]=4 5203 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,1,0,1,0,0|1,0,1]=4 5204 B8R1.66 CC1(COC1)CS[13CH3] 62a_100009817586_200025704644 [0,1,0,1,0,0|2,0,0]=4 5205 B8R1.66 CC1(COC1)CS[13CH3] 62a_200025704644_100009817586 [0,1,0,1,0,0|2,0,0]=4 5206 B8R1.66 CC1(CSC1)CO[13CH3] 34a_100000732658_200025704644 [0,1,0,1,0,0|2,0,0]=4 5207 B8R1.66 CC1(CSC1)CO[13CH3] 7a_100000732658_200025704644 [0,1,0,1,0,0|2,0,0]=4 5208 B8R1.66 COCC1(CSC1)C 34a_100000732658_200000210301 [0,1,0,1,0,0|2,0,0]=4 5209 B8R1.66 COCC1(CSC1)C 7a_100000732658_200000210301 [0,1,0,1,0,0|2,0,0]=4 5210 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,1,0,1,0,0|1,0,1]=4 5211 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,1,0,1,0,0|1,0,1]=4 5212 B8R1.66 CSCC1(COC1)C 62a_100009817586_200000210301 [0,1,0,1,0,0|2,0,0]=4 5213 B8R1.66 CSCC1(COC1)C 62a_200000210301_100009817586 [0,1,0,1,0,0|2,0,0]=4