0 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,0,0,0,0|2,1,1]=4 7 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,0,0,0,0|2,1,1]=4 9 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,0,0,0,0|2,1,1]=4 17 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,0,0,0,0|2,1,1]=4 18 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,0,0,0,0,0|1,1,1]=3 19 B6R0.6 C#CCSCC#N 62a_100000038162_100011215382 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,0,0,0,0,0|1,1,1]=3 26 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,0,0,0,0|2,1,1]=4 28 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,0,0,0,0|2,1,1]=4 29 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,0,0,0,0|2,1,1]=4 37 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,0,0,0,0|2,1,1]=4 38 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,0,0,0,0|2,1,1]=4 39 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,0,0,0,0|2,1,1]=4 40 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,0,0,0,0|2,1,1]=4 41 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,0,0,0,0|2,1,1]=4 47 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|2,1,1]=4 49 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|2,1,1]=4 50 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,0,0,0,0|1,1,1]=3 51 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,0,0,0,0,0|1,1,1]=3 63 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,0,0,0,0,0|1,1,1]=3 64 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,0,0,0,0,0|1,0,1]=2 65 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,0,0,0,0,0|1,0,1]=2 66 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,0,0,0,0,0|2,1,1]=4 71 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,0,0,0,0,0|2,1,1]=4 72 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,0,0,0,0,0|2,1,1]=4 76 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,0,0,0,0,0|2,1,1]=4 77 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,0,0,0,0,0|2,1,1]=4 78 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,0,0,0,0,0|2,0,1]=3 79 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,0,0,0,0,0|2,0,1]=3 80 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,0,0,0,0,0|2,0,1]=3 81 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,0,0,0,0,0|2,0,1]=3 82 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,0,0,0,0|4,0,0]=4 83 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,0,0,0,0,0|2,1,1]=4 87 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,0,0,0,0,0|2,1,1]=4 88 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,0,0,0,0,0|2,1,1]=4 89 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,0,0,0,0,0|2,0,1]=3 90 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,0,0,0,0,0|2,0,1]=3 91 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,0,0,0,0,0|2,0,1]=3 92 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|3,0,0]=3 96 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|3,0,0]=3 98 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|2,1,0]=3 99 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|2,1,0]=3 100 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|2,1,0]=3 101 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|2,1,0]=3 102 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|2,1,0]=3 103 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|2,0,0]=2 105 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|2,0,0]=2 107 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,0,0,0,0|4,0,0]=4 108 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,0,0,0,0|4,0,0]=4 109 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,0,0,0,0|4,0,0]=4 110 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,0,0,0,0|4,0,0]=4 111 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,0,0,0,0|4,0,0]=4 112 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,0,0,0,0|4,0,0]=4 113 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,0,0,0,0|4,0,0]=4 114 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,0,0,0,0|4,0,0]=4 115 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,0,0,0,0|4,0,0]=4 116 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,0,0,0,0|4,0,0]=4 118 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|3,1,0]=4 119 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,0,0,0,0|3,1,0]=4 120 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,0,0,0,0|2,1,0]=3 121 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,0,0,0,0|3,1,0]=4 122 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,0,0,0,0|3,1,0]=4 123 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,0,0,0,0|3,1,0]=4 124 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,0,0,0,0|1,1,0]=2 125 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,0,0,0,0|3,0,0]=3 126 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|3,0,0]=3 129 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,0,0,0,0|2,0,0]=2 130 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,0,0,0,0|3,0,0]=3 131 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,0,0,0,0|3,0,0]=3 133 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,0,0,0,0|3,0,0]=3 134 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,0,0,0,0|1,1,0]=2 135 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,0,0,0,0|1,1,0]=2 136 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,0,0,0,0|1,0,0]=1 137 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,0,0,0,0|1,0,0]=1 138 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,0,0,0,0|3,1,0]=4 139 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,0,0,0,0|3,1,0]=4 140 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,0,0,0,0|3,0,0]=3 141 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,0,0,0,0|3,0,0]=3 142 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,0,0,0,0|4,0,0]=4 143 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,0,0,0,0|4,0,0]=4 144 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,0,0,0,0|4,0,0]=4 145 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,0,0,0,0|4,0,0]=4 146 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,0,0,0,0|4,0,0]=4 147 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,0,0,0,0|4,0,0]=4 148 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,0,0,0,0|4,0,0]=4 149 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,0,0,0,0|3,1,0]=4 150 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,0,0,0,0|3,1,0]=4 151 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,0,0,0,0|3,1,0]=4 152 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,0,0,0,0|3,1,0]=4 153 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,0,0,0,0|3,1,0]=4 154 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,0,0,0,0|3,1,0]=4 155 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,0,0,0,0|3,1,0]=4 156 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,0,0,0,0|3,0,0]=3 157 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,0,0,0,0|3,0,0]=3 158 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,0,0,0,0|3,0,0]=3 159 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,0,0,0,0|3,0,0]=3 160 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,0,0,0,0|3,0,0]=3 161 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,0,0,0,0|3,0,0]=3 162 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,0,0,0,0|3,0,0]=3 163 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,0,0,0,0|4,0,0]=4 164 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,0,0,0,0|4,0,0]=4 165 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,0,0,0,0|4,0,0]=4 166 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,0,0,0,0|4,0,0]=4 167 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,0,0,0,0|4,0,0]=4 168 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,0,0,0,0|3,1,0]=4 169 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,0,0,0,0|3,1,0]=4 170 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,0,0,0,0|3,1,0]=4 171 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,0,0,0,0|3,1,0]=4 172 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,0,0,0,0|3,1,0]=4 173 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,0,0,0,0|3,1,0]=4 174 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,0,0,0,0|3,1,0]=4 175 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,0,0,0,0|3,0,0]=3 176 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,0,0,0,0|3,0,0]=3 177 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,0,0,0,0|3,0,0]=3 178 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,0,0,0,0|3,0,0]=3 179 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,0,0,0,0|3,0,0]=3 180 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,0,0,0,0|3,0,0]=3 181 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,0,0,0,0|4,0,0]=4 182 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,0,0,0,0|4,0,0]=4 183 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,0,0,0,0|4,0,0]=4 184 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,0,0,0,0|4,0,0]=4 185 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,0,0,0,0|4,0,0]=4 186 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,0,0,0,0|4,0,0]=4 187 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,0,0,0,0|4,0,0]=4 188 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,0,0,0,0|4,0,0]=4 189 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,0,0,0,0|4,0,0]=4 190 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,0,0,0,0|4,0,0]=4 191 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,0,0,0,0|4,0,0]=4 192 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,0,0,0,0|4,0,0]=4 193 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,0,0,0,0|2,1,0]=3 194 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,0,0,0,0|2,1,0]=3 195 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,0,0,0,0|2,1,0]=3 196 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,0,0,0,0|2,1,0]=3 197 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,0,0,0,0|2,1,0]=3 198 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,0,0,0,0|2,1,0]=3 199 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,0,0,0,0|2,0,0]=2 200 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,0,0,0,0|3,1,0]=4 201 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,0,0,0,0|3,1,0]=4 202 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,0,0,0,0|3,1,0]=4 203 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,0,0,0,0|3,1,0]=4 204 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,0,0,0,0|3,1,0]=4 205 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,0,0,0,0|3,1,0]=4 206 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,0,0,0,0|3,1,0]=4 207 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,0,0,0,0|3,1,0]=4 208 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,0,0,0,0|3,1,0]=4 209 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,0,0,0,0|2,1,0]=3 210 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,0,0,0,0|1,2,0]=3 211 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,0,0,0,0|1,2,0]=3 212 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,0,0,0,0|1,2,0]=3 213 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,0,0,0,0|1,1,0]=2 214 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,0,0,0,0|1,1,0]=2 215 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,0,0,0,0|1,1,0]=2 216 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,0,0,0,0|1,1,0]=2 217 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,0,0,0,0|1,1,0]=2 218 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,0,0,0,0|1,1,0]=2 219 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,0,0,0,0|3,1,0]=4 220 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,0,0,0,0,0|2,1,0]=3 221 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,0,0,0,0,0|2,1,0]=3 222 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,0,0,0,0,0|2,1,0]=3 223 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,0,0,0,0,0|2,1,0]=3 224 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,0,0,0,0|2,1,0]=3 225 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,0,0,0,0|2,1,0]=3 226 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,0,0,0,0|2,1,0]=3 227 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,0,0,0,0|2,1,0]=3 228 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,0,0,0,0,0|0,2,0]=2 229 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,0,0,0,0,0|0,1,0]=1 230 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,0,0,0,0,0|0,1,0]=1 231 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,0,0,0,0,0|3,0,1]=4 232 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,0,0,0,0,0|3,0,1]=4 233 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,0,0,0,0|3,0,0]=3 234 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,0,0,0,0|3,0,0]=3 235 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,0,0,0,0|3,0,0]=3 236 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,0,0,0,0|3,0,0]=3 237 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,0,0,0,0|3,0,0]=3 238 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,0,0,0,0|3,0,0]=3 239 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,0,0,0,0|3,0,0]=3 240 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,0,0,0,0|3,0,0]=3 241 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,0,0,0,0|2,0,0]=2 242 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,0,0,0,0|1,1,0]=2 243 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,0,0,0,0|1,1,0]=2 244 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,0,0,0,0,0|4,0,0]=4 245 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,0,0,0,0,0|4,0,0]=4 246 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,0,0,0,0,0|4,0,0]=4 247 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,0,0,0,0,0|4,0,0]=4 248 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,0,0,0,0,0|4,0,0]=4 249 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,0,0,0,0,0|4,0,0]=4 250 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,0,0,0,0|3,0,0]=3 251 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,0,0,0,0|3,0,0]=3 252 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,0,0,0,0|3,0,0]=3 253 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,0,0,0,0|2,1,0]=3 254 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,0,0,0,0|2,1,0]=3 255 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,0,0,0,0,0|2,0,0]=2 256 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,0,0,0,0,0|2,0,0]=2 257 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,0,0,0,0,0|2,0,0]=2 258 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,0,0,0,0,0|2,0,0]=2 259 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,0,0,0,0|2,0,0]=2 260 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,0,0,0,0|2,0,0]=2 261 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,0,0,0,0|2,0,0]=2 262 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,0,0,0,0|2,0,0]=2 263 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,0,0,0,0,0|0,0,0]=0 264 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,0,0,0,0,0|4,0,0]=4 265 B6R0.6 N#CCSCC#N 62a_100011215382_100011215382 [0,0,0,0,0,0|4,0,0]=4 266 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,0,0,0,0,0|4,0,0]=4 267 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,0,0,0,0,0|4,0,0]=4 268 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,0,0,0,0,0|4,0,0]=4 269 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,0,0,0,0,0|4,0,0]=4 270 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,0,0,0,0,0|4,0,0]=4 271 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,0,0,0,0,0|4,0,0]=4 272 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,0,0,0,0,0|4,0,0]=4 273 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,0,0,0,0|4,0,0]=4 274 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,0,0,0,0|4,0,0]=4 275 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,0,0,0,0|4,0,0]=4 276 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,0,0,0,0|4,0,0]=4 277 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,0,0,0,0,0|4,0,0]=4 278 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,0,0,0,0,0|4,0,0]=4 279 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,0,0,0,0,0|4,0,0]=4 280 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,0,0,0,0|4,0,0]=4 281 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,0,0,0,0|4,0,0]=4 282 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,0,0,0,0|3,1,0]=4 283 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,0,0,0,0|3,1,0]=4 284 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,0,0,0,0|3,1,0]=4 285 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,0,0,0,0|3,1,0]=4 286 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,0,0,0,0|3,1,0]=4 287 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,0,0,0,0|3,1,0]=4 288 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,0,0,0,0|3,1,0]=4 289 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,0,0,0,0,0|3,0,1]=4 290 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,0,0,0,0,0|3,0,1]=4 291 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,0,0,0,0|3,0,0]=3 292 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,0,0,0,0|3,0,0]=3 293 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,0,0,0,0|3,0,0]=3 294 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,0,0,0,0|3,0,0]=3 295 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,0,0,0,0|3,0,0]=3 296 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,0,0,0,0|3,0,0]=3 297 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,0,0,0,0|3,0,0]=3 298 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,0,0,0,0|3,0,0]=3 299 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,0,0,0,0,0|4,0,0]=4 300 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,0,0,0,0,0|4,0,0]=4 301 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|1,1,1]=4 307 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|1,1,1]=4 308 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|1,1,1]=4 309 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|1,0,1]=3 310 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|1,0,1]=3 311 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|1,0,1]=3 312 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|1,0,1]=3 313 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|2,0,1]=4 314 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|2,0,1]=4 315 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|1,1,1]=4 316 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|1,1,1]=4 317 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|1,0,1]=3 318 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|1,1,1]=4 322 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|1,1,1]=4 323 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|1,1,1]=4 324 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|1,0,1]=3 325 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|1,0,1]=3 326 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|1,0,1]=3 327 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|1,0,1]=3 328 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|1,1,1]=4 334 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|1,1,1]=4 335 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|1,1,1]=4 336 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|1,0,1]=3 337 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|1,0,1]=3 338 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|1,0,1]=3 339 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|1,0,1]=3 340 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|1,1,1]=4 343 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|1,1,1]=4 344 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|1,0,1]=3 345 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|1,0,1]=3 346 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|2,0,1]=4 347 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [1,0,0,0,0,0|2,0,1]=4 350 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [1,0,0,0,0,0|2,0,1]=4 351 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [1,0,0,0,0,0|2,0,1]=4 354 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [1,0,0,0,0,0|2,0,1]=4 355 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,0,0,0,0,0|1,1,1]=4 356 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,0,0,0,0,0|1,1,1]=4 357 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,0,0,0,0,0|1,1,1]=4 358 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,0,0,0,0,0|1,0,1]=3 359 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,0,0,0,0,0|1,0,1]=3 360 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,0,0,0,0,0|1,0,1]=3 361 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,0,0,0,0,0|1,0,1]=3 362 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 364 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 365 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|1,1,1]=4 366 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|1,0,1]=3 367 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|1,0,1]=3 368 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|1,0,1]=3 369 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|1,0,1]=3 370 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 371 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,0]=3 372 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,0]=3 373 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,0]=3 374 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,0]=3 375 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,0]=3 376 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,0]=3 377 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|1,1,0]=3 379 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|1,1,0]=3 380 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|1,1,0]=3 381 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|1,1,0]=3 382 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|1,1,0]=3 383 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|1,0,0]=2 384 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|1,0,0]=2 385 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|1,0,0]=2 386 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|1,0,0]=2 387 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|2,0,0]=3 388 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|1,1,0]=3 389 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|1,1,0]=3 390 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,1,0]=4 391 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|1,0,0]=2 392 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|1,0,0]=2 393 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,0]=3 394 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,0]=3 395 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|3,0,0]=4 396 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|3,0,0]=4 397 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|3,0,0]=4 398 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|3,0,0]=4 399 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|3,0,0]=4 400 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|3,0,0]=4 401 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|3,0,0]=4 402 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|1,1,0]=3 403 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|1,0,0]=2 404 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|2,1,0]=4 405 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,1,0]=4 406 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,1,0]=4 407 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,1,0]=4 408 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|2,1,0]=4 409 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|0,1,0]=2 410 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|0,1,0]=2 411 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|0,1,0]=2 412 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|0,1,0]=2 413 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|0,1,0]=2 414 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,0]=3 415 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,0]=3 416 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|2,0,0]=3 417 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|2,0,0]=3 418 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,0]=3 419 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,0]=3 420 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|2,0,0]=3 421 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|2,0,0]=3 422 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|0,1,0]=2 423 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|0,1,0]=2 424 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|0,0,0]=1 425 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|0,0,0]=1 426 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|3,0,0]=4 427 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|3,0,0]=4 428 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 429 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 430 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 431 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|3,0,0]=4 432 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 433 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|2,1,0]=4 434 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|2,1,0]=4 435 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|2,1,0]=4 436 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|1,1,0]=3 437 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|1,1,0]=3 438 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|1,1,0]=3 439 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|1,1,0]=3 440 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|1,0,0]=2 441 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|1,0,0]=2 442 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|1,0,0]=2 443 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|1,0,0]=2 444 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,1,0]=4 445 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,1,0]=4 446 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,1,0]=4 447 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,1,0]=4 448 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,1,0]=4 449 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|1,2,0]=4 450 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|1,1,0]=3 451 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|0,2,0]=3 452 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|0,2,0]=3 453 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|1,2,0]=4 454 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|0,2,0]=3 455 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|0,1,0]=2 456 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|0,1,0]=2 457 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|0,1,0]=2 458 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|0,1,0]=2 459 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|0,1,0]=2 460 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|0,1,0]=2 461 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|0,1,0]=2 462 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,0,0,0,0,0|1,1,0]=3 463 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,0,0,0,0,0|1,1,0]=3 464 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|2,0,0]=3 465 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|2,0,0]=3 466 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|2,0,0]=3 467 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|2,0,0]=3 468 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|1,1,0]=3 469 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|1,1,0]=3 470 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|1,0,0]=2 471 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|0,1,0]=2 472 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|0,1,0]=2 473 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|0,0,0]=1 474 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|0,0,0]=1 475 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|0,0,0]=1 476 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|0,0,0]=1 477 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [1,0,0,0,0,0|1,0,1]=3 478 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [1,0,0,0,0,0|1,0,1]=3 479 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,0,0,0,0,0|1,0,0]=2 480 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,0,0,0,0,0|1,0,0]=2 481 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,0,0,0,0,0|3,0,0]=4 482 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,0,0,0,0,0|3,0,0]=4 483 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [1,0,0,0,0,0|3,0,0]=4 484 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [1,0,0,0,0,0|3,0,0]=4 485 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|3,0,0]=4 486 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|3,0,0]=4 487 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,0,0,0,0|3,0,0]=4 488 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,0,0,0,0|3,0,0]=4 489 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 490 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 491 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,1,0]=4 492 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,1,0]=4 493 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,1,0]=4 494 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,1,0]=4 495 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|1,2,0]=4 496 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|2,0,0]=3 497 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|2,0,0]=3 498 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|2,0,0]=3 499 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|2,0,0]=3 500 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|1,1,0]=3 501 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|1,1,0]=3 502 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [1,0,0,0,0,0|1,0,1]=3 503 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [1,0,0,0,0,0|1,0,1]=3 504 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,1,0,0,0,0|2,0,1]=4 506 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,1,0,0,0,0|2,0,1]=4 508 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,1,0,0,0,0|2,0,1]=4 509 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,1,0,0,0,0|2,0,1]=4 510 B7R0.1 C#CCCCSCF 62a_100011215417_100015361967 [0,1,0,0,0,0|2,0,1]=4 511 B7R0.1 C#CCCCSCF 62a_100015361967_100011215417 [0,1,0,0,0,0|2,0,1]=4 512 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,1,0,0,0,0|1,1,1]=4 514 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,1,0,0,0,0|1,1,1]=4 517 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,1,0,0,0,0|1,1,1]=4 518 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,1,0,0,0,0|1,0,1]=3 519 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,1,0,0,0,0|1,0,1]=3 520 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,1,0,0,0,0|2,0,1]=4 522 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [0,1,0,0,0,0|1,1,1]=4 523 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [0,1,0,0,0,0|1,1,1]=4 524 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [0,1,0,0,0,0|1,1,1]=4 525 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [0,1,0,0,0,0|1,1,1]=4 526 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [0,1,0,0,0,0|1,1,1]=4 527 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [0,1,0,0,0,0|1,1,1]=4 528 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [0,1,0,0,0,0|1,1,1]=4 529 B7R0.1 C#CCSC/C=C/C 62a_100000038162_100102629194 [0,1,0,0,0,0|2,0,1]=4 530 B7R0.1 C#CCSCC#CC 62a_100000038162_100000748600 [0,1,0,0,0,0|2,0,1]=4 531 B7R0.1 C#CCSCC=CC 62a_100000038162_100000070051 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.1 C#CCSCCCF 62a_100000038162_100011934791 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,1,0,0,0,0|1,1,1]=4 536 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,1,0,0,0,0|1,0,1]=3 537 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,1,0,0,0,0|1,1,1]=4 538 B7R0.1 C#CCSCSC#N 62a_100000038162_100000211825 [0,1,0,0,0,0|1,0,2]=4 539 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,0,0,0,0|2,1,0]=4 540 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,0,0,0,0|2,1,0]=4 541 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,1,0,0,0,0|1,1,0]=3 542 B7R0.1 C/C=C/CSCC#N 62a_100011215382_100102629194 [0,1,0,0,0,0|3,0,0]=4 543 B7R0.1 C/C=C/CSCC#N 62a_100102629194_100011215382 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,1,0,0,0,0|3,0,0]=4 545 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,1,0,0,0,0|3,0,0]=4 546 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,1,0,0,0,0|3,0,0]=4 550 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,1,0,0,0,0|3,0,0]=4 551 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,1,0,0,0,0|3,0,0]=4 552 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,1,0,0,0,0|1,1,0]=3 553 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,1,0,0,0,0|1,1,0]=3 554 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,1,0,0,0,0|1,0,0]=2 555 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,1,0,0,0,0|1,0,0]=2 556 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,0,0,0,0|2,0,1]=4 557 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,0,0,0,0|2,0,1]=4 558 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,0,0,0,0|2,0,1]=4 559 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,1,0,0,0,0|2,0,1]=4 564 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,0,0,0,0|1,1,1]=4 566 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|2,0,1]=4 567 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|2,0,1]=4 568 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,1,0,0,0,0|1,1,1]=4 569 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,1,0,0,0,0|1,1,1]=4 570 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,1,0,0,0,0|1,0,1]=3 571 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,1,0,0,0,0|1,0,1]=3 572 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,0,0,0,0|2,0,1]=4 573 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,0,0,0,0|2,0,1]=4 574 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,0,0,0,0|1,1,1]=4 575 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,0,0,0,0|1,1,1]=4 576 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,0,0,0,0|1,1,1]=4 577 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,1,0,0,0,0|2,0,1]=4 583 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,0,0,0,0|2,0,1]=4 584 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,1,0,0,0,0|1,1,1]=4 590 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,1,0,0,0,0|1,1,1]=4 591 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,1,0,0,0,0|1,0,1]=3 592 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,1,0,0,0,0|1,0,1]=3 593 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,1,0,0,0,0|1,1,1]=4 594 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,1,0,0,0,0|1,1,1]=4 595 B7R0.1 C=CCSCSC#N 62a_100000210623_100000211825 [0,1,0,0,0,0|1,0,2]=4 596 B7R0.1 C=CCSCSC#N 62a_100000211825_100000210623 [0,1,0,0,0,0|1,0,2]=4 597 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,1,0,0,0,0|3,0,0]=4 598 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.1 CC#CCNCOC 2230a_100000685387_100000766300 [0,1,0,0,0,0|2,1,0]=4 600 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [0,1,0,0,0,0|2,0,0]=3 601 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [0,1,0,0,0,0|2,0,0]=3 602 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,1,0,0,0,0|2,1,0]=4 603 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,1,0,0,0,0|2,1,0]=4 604 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [0,1,0,0,0,0|1,1,0]=3 605 B7R0.1 CC#CCSCC#N 62a_100000748600_100011215382 [0,1,0,0,0,0|3,0,0]=4 606 B7R0.1 CC#CCSCC#N 62a_100011215382_100000748600 [0,1,0,0,0,0|3,0,0]=4 607 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,1,0,0,0,0|3,0,0]=4 608 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,1,0,0,0,0|3,0,0]=4 609 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,1,0,0,0,0|2,0,0]=3 610 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,1,0,0,0,0|2,0,0]=3 611 B7R0.1 CC#CCSCCF 62a_100000748600_100011217306 [0,1,0,0,0,0|3,0,0]=4 612 B7R0.1 CC#CCSCCF 62a_100011217306_100000748600 [0,1,0,0,0,0|3,0,0]=4 613 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [0,1,0,0,0,0|3,0,0]=4 614 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [0,1,0,0,0,0|3,0,0]=4 615 B7R0.1 CC#CCSCOC 62a_100000748600_100000766300 [0,1,0,0,0,0|1,1,0]=3 616 B7R0.1 CC#CCSCOC 62a_100000766300_100000748600 [0,1,0,0,0,0|1,1,0]=3 617 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [0,1,0,0,0,0|1,0,0]=2 618 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [0,1,0,0,0,0|1,0,0]=2 619 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,1,0,0,0,0|2,0,1]=4 621 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,1,0,0,0,0|2,0,1]=4 625 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [0,1,0,0,0,0|2,0,1]=4 626 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [0,1,0,0,0,0|2,0,1]=4 627 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,0,0,0,0|2,1,0]=4 628 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,0,0,0,0|2,1,0]=4 629 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,0,0,0,0|2,1,0]=4 630 B7R0.1 CC=CCSCC#N 62a_100000070051_100011215382 [0,1,0,0,0,0|3,0,0]=4 631 B7R0.1 CC=CCSCC#N 62a_100011215382_100000070051 [0,1,0,0,0,0|3,0,0]=4 632 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,1,0,0,0,0|3,0,0]=4 637 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,1,0,0,0,0|3,0,0]=4 638 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,1,0,0,0,0|3,0,0]=4 639 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,1,0,0,0,0|1,1,0]=3 641 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,1,0,0,0,0|1,1,0]=3 642 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,1,0,0,0,0|1,0,0]=2 643 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,1,0,0,0,0|1,0,0]=2 644 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [0,1,0,0,0,0|2,0,1]=4 645 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [0,1,0,0,0,0|2,0,1]=4 646 B7R0.1 CCC#CCSCF 62a_100009813939_100015361967 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.1 CCC#CCSCF 62a_100015361967_100009813939 [0,1,0,0,0,0|2,0,1]=4 648 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,0,0,0,0|2,1,0]=4 649 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,0,0,0,0|2,1,0]=4 650 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,0,0,0,0|2,1,0]=4 651 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,0,0,0,0|2,1,0]=4 652 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,1,0,0,0,0|2,1,0]=4 653 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,1,0,0,0,0|2,1,0]=4 654 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,1,0,0,0,0|2,1,0]=4 655 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,1,0,0,0,0|2,1,0]=4 656 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,0,0,0,0|3,0,0]=4 657 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,0,0,0,0|3,0,0]=4 658 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,0,0,0,0|3,0,0]=4 659 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,0,0,0,0|3,0,0]=4 660 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,0,0,0,0|3,0,0]=4 661 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,0,0,0,0|2,1,0]=4 662 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,0,0,0,0|2,1,0]=4 663 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,0,0,0,0|2,1,0]=4 664 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,0,0,0,0|2,1,0]=4 665 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,0,0,0,0|2,1,0]=4 666 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,0,0,0,0|2,0,0]=3 668 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,0,0,0,0|2,0,0]=3 670 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,0,0,0,0|3,0,0]=4 671 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,0,0,0,0|3,0,0]=4 672 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,0,0,0,0|2,1,0]=4 673 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,0,0,0,0|2,1,0]=4 674 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,0,0,0,0|2,1,0]=4 675 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,0,0,0,0|2,1,0]=4 676 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,0,0,0,0|2,1,0]=4 677 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,0,0,0,0|2,0,0]=3 678 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,0,0,0,0|2,0,0]=3 679 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,0,0,0,0|3,0,0]=4 682 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,0,0,0,0|2,1,0]=4 684 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,0,0,0,0|2,0,0]=3 685 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,0,0,0,0|2,1,0]=4 686 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,0,0,0,0|2,1,0]=4 687 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,0,0,0,0|2,1,0]=4 688 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,0,0,0,0|2,1,0]=4 689 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,0,0,0,0|2,1,0]=4 690 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,0,0,0,0|1,2,0]=4 691 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,0,0,0,0|1,1,0]=3 692 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,0,0,0,0|1,1,0]=3 693 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,0,0,0,0|1,1,0]=3 694 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,0,0,0,0|1,1,0]=3 695 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,0,0,0,0|1,1,0]=3 696 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,1,0,0,0,0|3,0,0]=4 697 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,0,0,0,0|3,0,0]=4 700 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,0,0,0,0|2,0,0]=3 701 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,0,0,0,0|2,0,0]=3 702 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,0,0,0,0|3,0,0]=4 704 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,0,0,0,0|3,0,0]=4 705 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,0,0,0,0|3,0,0]=4 706 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,0,0,0,0|1,1,0]=3 707 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,0,0,0,0|1,1,0]=3 708 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,1,0,0,0,0|1,0,0]=2 709 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,1,0,0,0,0|1,0,0]=2 710 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,0,0,0,0|3,0,0]=4 711 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,0,0,0,0|2,1,0]=4 713 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,0,0,0,0|2,0,0]=3 714 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,0,0,0,0|2,1,0]=4 715 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,0,0,0,0|2,1,0]=4 716 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,0,0,0,0|2,1,0]=4 717 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,0,0,0,0|2,1,0]=4 718 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,0,0,0,0|2,1,0]=4 719 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,0,0,0,0|2,1,0]=4 720 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,0,0,0,0|2,1,0]=4 721 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,0,0,0,0|2,1,0]=4 722 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,0,0,0,0|2,1,0]=4 723 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,0,0,0,0|2,1,0]=4 724 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,0,0,0,0|2,1,0]=4 725 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,0,0,0,0|2,1,0]=4 726 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,0,0,0,0|2,1,0]=4 727 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,0,0,0,0|1,2,0]=4 728 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,0,0,0,0|1,2,0]=4 729 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,0,0,0,0|1,2,0]=4 730 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,0,0,0,0|1,2,0]=4 731 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,0,0,0,0|1,2,0]=4 732 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,0,0,0,0|1,2,0]=4 733 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,0,0,0,0|1,2,0]=4 734 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,0,0,0,0|1,1,0]=3 735 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,0,0,0,0|1,1,0]=3 736 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,0,0,0,0|1,1,0]=3 737 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,0,0,0,0|1,1,0]=3 738 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,0,0,0,0|1,1,0]=3 739 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,0,0,0,0|1,1,0]=3 740 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,0,0,0,0|1,1,0]=3 741 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,0,0,0,0|2,0,0]=3 744 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,0,0,0,0|2,0,0]=3 745 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,0,0,0,0|2,0,0]=3 746 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,0,0,0,0|2,0,0]=3 747 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,0,0,0,0|2,0,0]=3 748 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,0,0,0,0|2,0,0]=3 749 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,0,0,0,0|1,1,0]=3 750 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,0,0,0,0|1,1,0]=3 751 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,0,0,0,0|1,1,0]=3 752 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,0,0,0,0|1,1,0]=3 753 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,0,0,0,0|1,1,0]=3 754 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,0,0,0,0|1,1,0]=3 755 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,0,0,0,0|1,0,0]=2 756 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,0,0,0,0|1,0,0]=2 757 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,0,0,0,0|1,1,0]=3 758 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,0,0,0,0|1,1,0]=3 759 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,1,0,0,0,0|1,0,1]=3 760 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,1,0,0,0,0|1,0,1]=3 761 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,0,0,0,0|2,1,0]=4 762 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,0,0,0,0|2,1,0]=4 763 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,1,0,0,0,0|2,0,0]=3 764 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,1,0,0,0,0|3,0,0]=4 765 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,1,0,0,0,0|3,0,0]=4 766 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,0,0,0,0|2,1,0]=4 767 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,0,0,0,0|2,1,0]=4 768 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,0,0,0,0|2,1,0]=4 769 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,0,0,0,0|2,1,0]=4 770 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,0,0,0,0|2,1,0]=4 771 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,0,0,0,0|2,1,0]=4 772 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,0,0,0,0|2,1,0]=4 773 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,0,0,0,0|2,1,0]=4 774 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,0,0,0,0|1,2,0]=4 775 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,0,0,0,0|1,2,0]=4 776 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,0,0,0,0|1,2,0]=4 777 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,0,0,0,0|1,2,0]=4 778 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,0,0,0,0|1,2,0]=4 779 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,0,0,0,0|1,2,0]=4 780 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,0,0,0,0|1,2,0]=4 781 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,0,0,0,0|1,1,0]=3 782 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,0,0,0,0|1,1,0]=3 783 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,0,0,0,0|1,1,0]=3 784 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,0,0,0,0|1,1,0]=3 785 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,0,0,0,0|1,1,0]=3 786 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,0,0,0,0|1,1,0]=3 787 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,1,0,0,0,0|3,0,0]=4 788 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,1,0,0,0,0|3,0,0]=4 789 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,1,0,0,0,0|3,0,0]=4 790 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,1,0,0,0,0|3,0,0]=4 791 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,1,0,0,0,0|3,0,0]=4 792 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,1,0,0,0,0|3,0,0]=4 793 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,1,0,0,0,0|3,0,0]=4 794 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,1,0,0,0,0|2,1,0]=4 795 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,1,0,0,0,0|2,1,0]=4 796 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,1,0,0,0,0|2,1,0]=4 797 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,1,0,0,0,0|2,1,0]=4 798 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,0,0,0,0|2,1,0]=4 799 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,0,0,0,0|2,1,0]=4 800 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,0,0,0,0|2,1,0]=4 801 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,0,0,0,0|2,1,0]=4 802 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,1,0,0,0,0|0,2,0]=3 803 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,1,0,0,0,0|0,2,0]=3 804 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,1,0,0,0,0|0,1,0]=2 805 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,1,0,0,0,0|0,1,0]=2 806 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,1,0,0,0,0|3,0,0]=4 807 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,1,0,0,0,0|3,0,0]=4 808 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,0,0,0,0|3,0,0]=4 809 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,0,0,0,0|3,0,0]=4 810 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,0,0,0,0|3,0,0]=4 811 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,0,0,0,0|3,0,0]=4 812 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,0,0,0,0|3,0,0]=4 813 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,0,0,0,0|3,0,0]=4 814 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,0,0,0,0|1,1,0]=3 815 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,0,0,0,0|1,1,0]=3 816 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,0,0,0,0|1,1,0]=3 817 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,0,0,0,0|1,1,0]=3 818 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,0,0,0,0|1,1,0]=3 819 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,0,0,0,0|1,1,0]=3 820 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,1,0,0,0,0|3,0,0]=4 821 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,1,0,0,0,0|3,0,0]=4 822 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,1,0,0,0,0|3,0,0]=4 823 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,1,0,0,0,0|3,0,0]=4 824 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,0,0,0,0|3,0,0]=4 825 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,0,0,0,0|3,0,0]=4 826 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,0,0,0,0|3,0,0]=4 827 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,0,0,0,0|3,0,0]=4 828 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,0,0,0,0|3,0,0]=4 829 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,0,0,0,0|3,0,0]=4 830 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,0,0,0,0|3,0,0]=4 831 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,0,0,0,0|3,0,0]=4 832 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,0,0,0,0|2,1,0]=4 833 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,0,0,0,0|2,1,0]=4 834 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,0,0,0,0|2,1,0]=4 835 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,1,0,0,0,0|2,1,0]=4 836 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,0,0,0,0|3,0,0]=4 837 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,0,0,0,0|1,2,0]=4 838 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,0,0,0,0|2,1,0]=4 839 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,0,0,0,0|2,1,0]=4 840 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,0,0,0,0|2,1,0]=4 841 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,0,0,0,0|2,1,0]=4 842 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,0,0,0,0|2,1,0]=4 843 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,0,0,0,0|2,1,0]=4 844 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,0,0,0,0|2,1,0]=4 845 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,0,0,0,0|2,1,0]=4 846 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,0,0,0,0|2,1,0]=4 847 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,0,0,0,0|1,2,0]=4 848 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,0,0,0,0|1,2,0]=4 849 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,0,0,0,0|1,2,0]=4 850 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,0,0,0,0|1,1,0]=3 851 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,0,0,0,0|1,1,0]=3 852 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,0,0,0,0|1,1,0]=3 853 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,0,0,0,0|1,1,0]=3 854 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,0,0,0,0|1,1,0]=3 855 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,0,0,0,0|1,1,0]=3 856 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,0,0,0,0|2,1,0]=4 857 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,0,0,0,0|1,2,0]=4 858 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,0,0,0,0|1,1,0]=3 859 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,0,0,0,0|1,1,0]=3 860 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,0,0,0,0|1,2,0]=4 861 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,0,0,0,0|1,1,0]=3 862 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,0,0,0,0|0,2,0]=3 863 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,0,0,0,0|0,2,0]=3 864 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,0,0,0,0|0,2,0]=3 865 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,0,0,0,0|0,2,0]=3 866 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,0,0,0,0|0,2,0]=3 867 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,1,0,0,0,0|2,1,0]=4 868 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,1,0,0,0,0|2,1,0]=4 869 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,0,0,0,0|2,1,0]=4 870 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,0,0,0,0|2,1,0]=4 871 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,0,0,0,0|2,1,0]=4 872 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,0,0,0,0|2,1,0]=4 873 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,0,0,0,0|2,1,0]=4 874 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,0,0,0,0|2,1,0]=4 875 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,1,0,0,0,0|0,2,0]=3 876 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,1,0,0,0,0|0,2,0]=3 877 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,1,0,0,0,0|0,1,0]=2 878 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,1,0,0,0,0|0,1,0]=2 879 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,0,0,0,0|2,1,0]=4 880 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,1,0,0,0,0|1,1,0]=3 881 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,1,0,0,0,0|1,1,1]=4 882 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,1,0,0,0,0|1,1,1]=4 883 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,1,0,0,0,0|1,1,0]=3 884 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,1,0,0,0,0|1,1,0]=3 885 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,1,0,0,0,0|1,1,0]=3 886 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,1,0,0,0,0|1,1,0]=3 887 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,1,0,0,0,0|0,1,0]=2 888 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,1,0,0,0,0|0,1,0]=2 889 B7R0.1 COCSCSC#N 62a_100000211825_100000766300 [0,1,0,0,0,0|0,1,1]=3 890 B7R0.1 COCSCSC#N 62a_100000766300_100000211825 [0,1,0,0,0,0|0,1,1]=3 891 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,1,0,0,0,0|2,0,1]=4 892 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,1,0,0,0,0|2,0,1]=4 893 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,0,0,0,0|2,0,1]=4 894 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,0,0,0,0|2,0,1]=4 895 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,0,0,0,0|2,0,0]=3 896 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,0,0,0,0|2,0,0]=3 897 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,0,0,0,0|2,0,0]=3 898 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,0,0,0,0|2,0,0]=3 899 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,0,0,0,0|1,1,0]=3 900 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,0,0,0,0|1,1,0]=3 901 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,1,0,0,0,0|1,1,0]=3 902 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,1,0,0,0,0|1,1,0]=3 903 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,1,0,0,0,0|3,0,0]=4 904 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,0,0,0,0|3,0,0]=4 905 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,0,0,0,0|3,0,0]=4 906 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,0,0,0,0|3,0,0]=4 907 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,0,0,0,0|3,0,0]=4 908 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,0,0,0,0|3,0,0]=4 909 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,0,0,0,0|3,0,0]=4 910 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,1,0,0,0,0|1,0,0]=2 911 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [0,1,0,0,0,0|2,1,0]=4 912 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [0,1,0,0,0,0|2,1,0]=4 913 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [0,1,0,0,0,0|2,1,0]=4 914 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,0,0,0,0|2,1,0]=4 915 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,0,0,0,0|2,1,0]=4 916 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,0,0,0,0|2,1,0]=4 917 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,0,0,0,0|2,1,0]=4 918 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,0,0,0,0|2,1,0]=4 919 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,0,0,0,0|2,1,0]=4 920 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,0,0,0,0|2,1,0]=4 921 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,0,0,0,0|2,1,0]=4 922 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,0,0,0,0|2,1,0]=4 923 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,0,0,0,0|2,1,0]=4 924 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,1,0,0,0,0|0,1,0]=2 925 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,1,0,0,0,0|2,0,0]=3 926 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,1,0,0,0,0|2,0,0]=3 927 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,1,0,0,0,0|2,0,0]=3 928 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,1,0,0,0,0|2,0,0]=3 929 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,0,0,0,0|2,0,0]=3 930 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,0,0,0,0|2,0,0]=3 931 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,0,0,0,0|2,0,0]=3 932 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,0,0,0,0|2,0,0]=3 933 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,1,0,0,0,0|0,0,0]=1 934 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,1,0,0,0,0|0,0,0]=1 935 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,1,0,0,0,0|1,1,0]=3 938 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,0,0,0,0|1,1,0]=3 939 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,1,0,0,0,0|1,1,0]=3 940 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,1,0,0,0,0|1,1,0]=3 941 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,0,0,0,0|1,2,0]=4 942 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,1,0,0,0,0|1,0,1]=3 943 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,1,0,0,0,0|1,0,1]=3 944 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,1,0,0,0,0|1,0,0]=2 945 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,1,0,0,0,0|1,0,0]=2 946 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,1,0,0,0,0|1,0,0]=2 947 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,1,0,0,0,0|1,0,0]=2 948 B7R0.1 CSCSCSC#N 62a_100000211825_100011218213 [0,1,0,0,0,0|0,0,1]=2 949 B7R0.1 CSCSCSC#N 62a_100011218213_100000211825 [0,1,0,0,0,0|0,0,1]=2 950 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,0,0,0,0|3,0,0]=4 951 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,0,0,0,0|3,0,0]=4 952 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,1,0,0,0,0|3,0,0]=4 953 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,1,0,0,0,0|3,0,0]=4 954 B7R0.1 N#CCCCSCF 62a_100000687738_100015361967 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.1 N#CCCCSCF 62a_100015361967_100000687738 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.1 N#CCSCCCF 62a_100011215382_100011934791 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.1 N#CCSCCCF 62a_100011934791_100011215382 [0,1,0,0,0,0|3,0,0]=4 958 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,1,0,0,0,0|3,0,0]=4 959 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,1,0,0,0,0|3,0,0]=4 960 B7R0.1 N#CCSCSC#N 62a_100000211825_100011215382 [0,1,0,0,0,0|2,0,1]=4 961 B7R0.1 N#CCSCSC#N 62a_100011215382_100000211825 [0,1,0,0,0,0|2,0,1]=4 962 B7R0.1 N#CSCSCC=O 62a_100000211825_200015260668 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.1 N#CSCSCC=O 62a_200015260668_100000211825 [0,1,0,0,0,0|2,0,1]=4 964 B7R0.1 N#CSCSCCF 62a_100000211825_100011217306 [0,1,0,0,0,0|2,0,1]=4 965 B7R0.1 N#CSCSCCF 62a_100011217306_100000211825 [0,1,0,0,0,0|2,0,1]=4 966 B7R0.1 N#CSCSCCO 62a_100000211825_100000211926 [0,1,0,0,0,0|2,0,1]=4 967 B7R0.1 N#CSCSCCO 62a_100000211926_100000211825 [0,1,0,0,0,0|2,0,1]=4 968 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,1,0,0,0,0|3,0,0]=4 969 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,1,0,0,0,0|3,0,0]=4 970 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,1,0,0,0,0|3,0,0]=4 971 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,1,0,0,0,0|3,0,0]=4 972 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,0,0,0,0|3,0,0]=4 973 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,0,0,0,0|3,0,0]=4 974 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,0,0,0,0|3,0,0]=4 975 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,0,0,0,0|3,0,0]=4 976 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,1,0,0,0,0|3,0,0]=4 977 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,1,0,0,0,0|3,0,0]=4 978 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,1,0,0,0,0|3,0,0]=4 979 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,1,0,0,0,0|3,0,0]=4 980 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,1,0,0,0,0|3,0,0]=4 981 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,1,0,0,0,0|3,0,0]=4 982 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,0,0,0,0|3,0,0]=4 983 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,0,0,0,0|3,0,0]=4 984 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,0,0,0,0|3,0,0]=4 985 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,0,0,0,0|2,1,0]=4 986 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,0,0,0,0|2,1,0]=4 987 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,0,0,0,0|2,1,0]=4 988 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,0,0,0,0|2,1,0]=4 989 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,0,0,0,0|2,1,0]=4 990 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,0,0,0,0|2,1,0]=4 991 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,0,0,0,0|2,1,0]=4 992 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,0,0,0,0|2,0,1]=4 995 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,0,0,0,0|2,0,1]=4 996 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,0,0,0,0|2,0,0]=3 997 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,0,0,0,0|2,0,0]=3 998 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,0,0,0,0|2,0,0]=3 999 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,0,0,0,0|2,0,0]=3 1000 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [0,1,0,0,0,0|2,1,0]=4 1001 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [0,1,0,0,0,0|2,1,0]=4 1002 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,0,0,0,0|2,1,0]=4 1003 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,0,0,0,0|2,1,0]=4 1004 B7R0.3 C#CC(C)NCSC 2230a_100000707721_100011218213 [0,1,0,0,0,0|2,0,1]=4 1005 B7R0.3 C#CC(C)NCSC 34a_100000707721_100011218213 [0,1,0,0,0,0|2,0,1]=4 1006 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,1,0,0,0,0|2,0,1]=4 1007 B7R0.3 C#CC(C)SCOC 62a_200000035995_100000766300 [0,1,0,0,0,0|1,1,1]=4 1008 B7R0.3 C#CC(C)SCSC 62a_200000035995_100011218213 [0,1,0,0,0,0|1,0,1]=3 1009 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,1,0,0,0,0|2,0,1]=4 1010 B7R0.3 C#CCSC(C)OC 62a_100000038162_100009879195 [0,1,0,0,0,0|1,1,1]=4 1011 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [0,1,0,0,0,0|1,1,1]=4 1012 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,0,0,0,0|1,1,1]=4 1013 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|2,0,1]=4 1014 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,1,0,0,0,0|1,1,1]=4 1015 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,1,0,0,0,0|1,0,1]=3 1016 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|2,0,1]=4 1017 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|2,0,1]=4 1018 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,1,0,0,0,0|1,1,1]=4 1019 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,1,0,0,0,0|1,1,1]=4 1020 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|2,0,1]=4 1021 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|2,0,1]=4 1022 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|3,0,0]=4 1023 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|3,0,0]=4 1024 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|2,1,0]=4 1025 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|2,1,0]=4 1026 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|2,1,0]=4 1027 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|2,0,0]=3 1028 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,1,0,0,0,0|3,0,0]=4 1029 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,1,0,0,0,0|3,0,0]=4 1030 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|3,0,0]=4 1031 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|3,0,0]=4 1032 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|3,0,0]=4 1033 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|3,0,0]=4 1034 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|3,0,0]=4 1035 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|3,0,0]=4 1036 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,0,0,0,0|1,1,0]=3 1037 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,0,0,0,0|1,1,0]=3 1038 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|1,0,0]=2 1039 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|1,0,0]=2 1040 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|3,0,0]=4 1041 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|3,0,0]=4 1042 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|3,0,0]=4 1043 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|3,0,0]=4 1044 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|3,0,0]=4 1045 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|3,0,0]=4 1046 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|2,1,0]=4 1047 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|2,1,0]=4 1048 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|2,1,0]=4 1049 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|2,1,0]=4 1050 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|2,1,0]=4 1051 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|2,0,0]=3 1052 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|2,0,0]=3 1053 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|2,0,0]=3 1054 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|2,0,0]=3 1055 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|3,0,0]=4 1056 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|2,1,0]=4 1057 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|2,1,0]=4 1058 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,1,0,0,0,0|3,0,0]=4 1059 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,1,0,0,0,0|3,0,0]=4 1060 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|2,0,0]=3 1061 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|2,0,0]=3 1062 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,0,0,0,0|3,0,0]=4 1063 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|1,1,0]=3 1064 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|1,1,0]=3 1065 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [0,1,0,0,0,0|3,0,0]=4 1066 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [0,1,0,0,0,0|3,0,0]=4 1067 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,0,0,0,0|3,0,0]=4 1068 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,0,0,0,0|3,0,0]=4 1069 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,0,0,0,0|3,0,0]=4 1070 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1071 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,0,0,0,0|3,0,0]=4 1072 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,0,0,0,0|3,0,0]=4 1073 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|2,0,1]=4 1074 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 1075 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 1076 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|2,0,1]=4 1077 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|2,0,1]=4 1078 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|2,0,1]=4 1079 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|2,0,1]=4 1080 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|2,0,1]=4 1081 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,0,0,0,0|2,1,0]=4 1082 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,0,0,0,0|2,0,0]=3 1083 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|1,1,1]=4 1084 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|1,1,1]=4 1085 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|1,1,1]=4 1086 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|1,1,1]=4 1087 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|0,2,1]=4 1088 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|0,2,1]=4 1089 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|1,2,0]=4 1090 B7R0.3 COC(C)SCC#N 62a_100009879195_100011215382 [0,1,0,0,0,0|2,1,0]=4 1091 B7R0.3 COC(C)SCC#N 62a_100011215382_100009879195 [0,1,0,0,0,0|2,1,0]=4 1092 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,0,0,0,0|2,1,0]=4 1093 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,0,0,0,0|2,1,0]=4 1094 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,1,0,0,0,0|2,1,0]=4 1095 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,1,0,0,0,0|2,1,0]=4 1096 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,0,0,0,0|2,1,0]=4 1097 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,0,0,0,0|2,1,0]=4 1098 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,1,0,0,0,0|0,1,0]=2 1099 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,1,0,0,0,0|0,1,0]=2 1100 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|1,2,0]=4 1101 B7R0.3 COCSC(C)C#N 62a_100000703298_100000766300 [0,1,0,0,0,0|2,1,0]=4 1102 B7R0.3 COCSC(C)C#N 62a_100000766300_100000703298 [0,1,0,0,0,0|2,1,0]=4 1103 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,1,0,0,0,0|2,1,0]=4 1104 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,1,0,0,0,0|0,2,0]=3 1105 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,1,0,0,0,0|0,2,0]=3 1106 B7R0.3 COCSC(F)C#N 62a_100000766300_200000117898 [0,1,0,0,0,0|2,1,0]=4 1107 B7R0.3 COCSC(F)C#N 62a_200000117898_100000766300 [0,1,0,0,0,0|2,1,0]=4 1108 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,1,0,0,0,0|2,1,0]=4 1109 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,1,0,0,0,0|2,1,0]=4 1110 B7R0.3 CSCNC(C)C#N 2230a_100000737613_100011218213 [0,1,0,0,0,0|3,0,0]=4 1111 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,0,0,0,0|3,0,0]=4 1112 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [0,1,0,0,0,0|2,1,0]=4 1113 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,0,0,0,0|2,1,0]=4 1114 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,0,0,0,0|2,1,0]=4 1115 B7R0.3 CSCSC(C)C#N 62a_100000703298_100011218213 [0,1,0,0,0,0|2,0,0]=3 1116 B7R0.3 CSCSC(C)C#N 62a_100011218213_100000703298 [0,1,0,0,0,0|2,0,0]=3 1117 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,0,0,0,0|2,0,0]=3 1118 B7R0.3 CSCSC(F)C#N 62a_100011218213_200000117898 [0,1,0,0,0,0|2,0,0]=3 1119 B7R0.3 CSCSC(F)C#N 62a_200000117898_100011218213 [0,1,0,0,0,0|2,0,0]=3 1120 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,0,0,0,0|2,0,0]=3 1121 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,0,0,0,0|2,0,0]=3 1122 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [0,1,0,0,0,0|2,0,1]=4 1123 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,1,0,0,0,0|2,0,1]=4 1124 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [0,1,0,0,0,0|2,0,1]=4 1125 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [0,1,0,0,0,0|2,0,1]=4 1126 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,0,0,0,0|2,1,0]=4 1127 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,0,0,0,0|2,1,0]=4 1128 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,1,0,0,0,0|1,1,0]=3 1129 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [0,1,0,0,0,0|3,0,0]=4 1130 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [0,1,0,0,0,0|3,0,0]=4 1131 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,0,0,0,0|3,0,0]=4 1132 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,0,0,0,0|3,0,0]=4 1133 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,0,0,0,0|2,0,0]=3 1134 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,0,0,0,0|2,0,0]=3 1135 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,1,0,0,0,0|3,0,0]=4 1136 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,1,0,0,0,0|3,0,0]=4 1137 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,0,0,0,0|3,0,0]=4 1138 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,0,0,0,0|3,0,0]=4 1139 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,1,0,0,0,0|1,1,0]=3 1140 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,1,0,0,0,0|1,1,0]=3 1141 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,1,0,0,0,0|1,0,0]=2 1142 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,1,0,0,0,0|1,0,0]=2 1143 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,1,0,0,0,0|1,1,1]=4 1144 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,0,0,0,0|2,0,1]=4 1145 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,0,0,0,0|2,0,1]=4 1146 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,1,0,0,0,0|1,1,1]=4 1147 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,1,0,0,0,0|1,1,1]=4 1148 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,1,0,0,0,0|1,0,1]=3 1149 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,1,0,0,0,0|1,0,1]=3 1150 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,1,0,0,0,0|2,0,1]=4 1151 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,1,0,0,0,0|2,0,1]=4 1152 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,0,0,0,0|2,0,1]=4 1153 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,0,0,0,0|2,0,1]=4 1154 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,1,0,0,0,0|2,0,1]=4 1155 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,1,0,0,0,0|2,0,1]=4 1156 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,0,0,0,0|2,0,1]=4 1157 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,0,0,0,0|2,0,1]=4 1158 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,0,0,0,0|2,0,1]=4 1159 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,0,0,0,0|2,0,1]=4 1160 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,1,0,0,0,0|2,0,1]=4 1161 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,1,0,0,0,0|2,0,1]=4 1162 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|2,1,0]=4 1163 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|2,1,0]=4 1164 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|2,0,0]=3 1165 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|2,0,0]=3 1166 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,1,0,0,0,0|3,0,0]=4 1167 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,0,0,0,0|3,0,0]=4 1168 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,0,0,0,0|3,0,0]=4 1169 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,0,0,0,0|3,0,0]=4 1170 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,0,0,0,0|3,0,0]=4 1171 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,0,0,0,0|3,0,0]=4 1172 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,0,0,0,0|3,0,0]=4 1173 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,0,0,0,0|2,1,0]=4 1174 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,0,0,0,0|2,1,0]=4 1175 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,0,0,0,0|2,0,0]=3 1176 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,0,0,0,0|2,0,0]=3 1177 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,1,0,0,0,0|3,0,0]=4 1178 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,1,0,0,0,0|3,0,0]=4 1179 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,0,0,0,0|3,0,0]=4 1180 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,0,0,0,0|3,0,0]=4 1181 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,1,0,0,0,0|3,0,0]=4 1182 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,1,0,0,0,0|3,0,0]=4 1183 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,1,0,0,0,0|3,0,0]=4 1184 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,1,0,0,0,0|3,0,0]=4 1185 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,1,0,0,0,0|3,0,0]=4 1186 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,1,0,0,0,0|3,0,0]=4 1187 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,1,0,0,0,0|3,0,0]=4 1188 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,1,0,0,0,0|3,0,0]=4 1189 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,0,0,0,0|2,0,0]=3 1190 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,0,0,0,0|2,0,0]=3 1191 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [0,1,0,0,0,0|3,0,0]=4 1192 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [0,1,0,0,0,0|3,0,0]=4 1193 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|3,0,0]=4 1194 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|3,0,0]=4 1195 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,0,0,0,0|3,0,0]=4 1196 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,0,0,0,0|3,0,0]=4 1197 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,0,0,0,0|3,0,0]=4 1198 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,0,0,0,0|3,0,0]=4 1199 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|3,0,0]=4 1200 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|3,0,0]=4 1201 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|3,0,0]=4 1202 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,0,0,0,0|3,0,0]=4 1203 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,0,0,0,0|3,0,0]=4 1204 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,0,0,0,0|3,0,0]=4 1205 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,0,0,0,0|3,0,0]=4 1206 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,0,0,0,0|3,0,0]=4 1207 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,0,0,0,0|3,0,0]=4 1208 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,0,0,0,0|3,0,0]=4 1209 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,0,0,0,0|3,0,0]=4 1210 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,0,0,0,0|3,0,0]=4 1211 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,0,0,0,0|3,0,0]=4 1212 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,0,0,0,0|3,0,0]=4 1213 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|2,1,0]=4 1214 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|2,1,0]=4 1215 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|2,1,0]=4 1216 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,0,0,0,0|2,1,0]=4 1217 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,0,0,0,0|2,1,0]=4 1218 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,0,0,0,0|2,1,0]=4 1219 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,0,0,0,0|2,1,0]=4 1220 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,0,0,0,0|2,1,0]=4 1221 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,0,0,0,0|2,1,0]=4 1222 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,0,0,0,0|2,1,0]=4 1223 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,0,0,0,0|2,1,0]=4 1224 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|2,0,0]=3 1225 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|3,0,0]=4 1226 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|3,0,0]=4 1227 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|2,0,0]=3 1228 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|3,0,0]=4 1229 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|3,0,0]=4 1230 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,0,0,0,0|2,0,0]=3 1231 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,0,0,0,0|2,0,0]=3 1232 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,0,0,0,0|2,0,0]=3 1233 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,0,0,0,0|2,0,0]=3 1234 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,0,0,0,0|3,0,0]=4 1235 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,0,0,0,0|3,0,0]=4 1236 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,0,0,0,0|2,0,0]=3 1237 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,0,0,0,0|2,0,0]=3 1238 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,0,0,0,0|3,0,0]=4 1239 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,1,0,0,0,0|2,0,0]=3 1240 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|3,0,0]=4 1241 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|3,0,0]=4 1242 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,0,0,0,0|3,0,0]=4 1243 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,0,0,0,0|3,0,0]=4 1244 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,0,0,0,0|3,0,0]=4 1245 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,0,0,0,0|3,0,0]=4 1246 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,0,0,0,0|3,0,0]=4 1247 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,0,0,0,0|3,0,0]=4 1248 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,0,0,0,0|3,0,0]=4 1249 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,0,0,0,0|3,0,0]=4 1250 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,0,0,0,0|3,0,0]=4 1251 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,0,0,0,0|2,0,1]=4 1252 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|2,1,0]=4 1253 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|2,1,0]=4 1254 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|2,1,0]=4 1255 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|2,1,0]=4 1256 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|2,1,0]=4 1257 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|2,1,0]=4 1258 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,0,0,0,0|2,1,0]=4 1259 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,0,0,0,0|2,1,0]=4 1260 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,0,0,0,0|2,1,0]=4 1261 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,0,0,0,0|2,1,0]=4 1262 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,1,0,0,0,0|2,1,0]=4 1263 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,1,0,0,0,0|2,1,0]=4 1264 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,1,0,0,0,0|2,1,0]=4 1265 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,1,0,0,0,0|2,1,0]=4 1266 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,1,0,0,0,0|2,1,0]=4 1267 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,1,0,0,0,0|2,1,0]=4 1268 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,1,0,0,0,0|2,1,0]=4 1269 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,0,0,0,0|2,1,0]=4 1270 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,0,0,0,0|2,1,0]=4 1271 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,0,0,0,0|2,1,0]=4 1272 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,0,0,0,0|2,1,0]=4 1273 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,0,0,0,0|2,1,0]=4 1274 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,1,0,0,0,0|1,1,0]=3 1275 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,1,0,0,0,0|1,1,0]=3 1276 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,0,0,0,0|1,1,0]=3 1277 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,0,0,0,0|1,1,0]=3 1278 B7R0.4 COCSCC(F)F 62a_100000766300_100011934356 [0,1,0,0,0,0|2,1,0]=4 1279 B7R0.4 COCSCC(F)F 62a_100011934356_100000766300 [0,1,0,0,0,0|2,1,0]=4 1280 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,0,0,0,0|1,1,0]=3 1281 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,0,0,0,0|1,1,0]=3 1282 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,1,0,0,0,0|2,1,0]=4 1283 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,0,0,0,0|2,0,1]=4 1284 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,1,0,0,0,0|2,0,1]=4 1285 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,1,0,0,0,0|2,0,1]=4 1286 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|2,0,0]=3 1287 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|2,0,0]=3 1288 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|2,0,0]=3 1289 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|3,0,0]=4 1290 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|3,0,0]=4 1291 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|2,0,0]=3 1292 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,0,0,0,0|2,0,0]=3 1293 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,0,0,0,0|2,0,0]=3 1294 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,0,0,0,0|2,0,0]=3 1295 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,0,0,0,0|2,0,0]=3 1296 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,1,0,0,0,0|2,0,0]=3 1297 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 1298 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 1299 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 1300 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,0,0,0,0|3,0,0]=4 1301 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,0,0,0,0|3,0,0]=4 1302 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,0,0,0,0|3,0,0]=4 1303 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,1,0,0,0,0|3,0,0]=4 1304 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,1,0,0,0,0|3,0,0]=4 1305 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,1,0,0,0,0|3,0,0]=4 1306 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,0,0,0,0|3,0,0]=4 1307 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,0,0,0,0|3,0,0]=4 1308 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,1,0,0,0,0|3,0,0]=4 1309 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,1,0,0,0,0|3,0,0]=4 1310 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,1,0,0,0,0|3,0,0]=4 1311 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,1,0,0,0,0|3,0,0]=4 1312 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,1,0,0,0,0|3,0,0]=4 1313 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,1,0,0,0,0|3,0,0]=4 1314 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,1,0,0,0,0|3,0,0]=4 1315 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,1,0,0,0,0|3,0,0]=4 1316 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,1,0,0,0,0|3,0,0]=4 1317 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,0,0,0,0|3,0,0]=4 1318 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|3,0,0]=4 1319 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,1,0,0,0,0|2,0,0]=3 1320 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,1,0,0,0,0|2,0,0]=3 1321 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,0,0,0,0|2,0,0]=3 1322 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,0,0,0,0|2,0,0]=3 1323 B7R0.4 CSCNCC(F)F 34a_100000765723_100011218213 [0,1,0,0,0,0|3,0,0]=4 1324 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,0,0,0,0|1,1,0]=3 1325 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,1,0,0,0,0|1,1,0]=3 1326 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,1,0,0,0,0|1,1,0]=3 1327 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,1,0,0,0,0|1,1,0]=3 1328 B7R0.4 CSCOCC(F)F 34a_100000743014_100011218213 [0,1,0,0,0,0|2,1,0]=4 1329 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,1,0,0,0,0|1,1,0]=3 1330 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,1,0,0,0,0|1,1,0]=3 1331 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,0,0,0,0|2,0,0]=3 1332 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,0,0,0,0|2,0,0]=3 1333 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,0,0,0,0|2,0,0]=3 1334 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,0,0,0,0|2,0,0]=3 1335 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,1,0,0,0,0|1,0,0]=2 1336 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,1,0,0,0,0|1,0,0]=2 1337 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,0,0,0,0|1,0,0]=2 1338 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,0,0,0,0|1,0,0]=2 1339 B7R0.4 CSCSCC(F)F 62a_100011218213_100011934356 [0,1,0,0,0,0|2,0,0]=3 1340 B7R0.4 CSCSCC(F)F 62a_100011934356_100011218213 [0,1,0,0,0,0|2,0,0]=3 1341 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,0,0,0,0|1,0,0]=2 1342 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,0,0,0,0|1,0,0]=2 1343 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [0,1,0,0,0,0|2,0,0]=3 1344 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [0,1,0,0,0,0|3,0,0]=4 1345 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [0,1,0,0,0,0|3,0,0]=4 1346 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|3,0,0]=4 1347 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|3,0,0]=4 1348 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,0,0,0,0|3,0,0]=4 1349 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,0,0,0,0|3,0,0]=4 1350 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,0,0,0,0|3,0,0]=4 1351 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,0,0,0,0|3,0,0]=4 1352 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,1,0,0,0,0|3,0,0]=4 1353 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|3,0,0]=4 1354 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|3,0,0]=4 1355 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,1,0,0,0,0|2,0,1]=4 1356 B7R0.7 C#CCN(C)CSC 2230a_100000225692_100011218213 [0,1,0,0,0,0|2,0,1]=4 1357 B7R0.7 C#CCN(C)CSC 34a_100000225692_100011218213 [0,1,0,0,0,0|2,0,1]=4 1358 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|2,0,1]=4 1359 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,1,0,0,0,0|2,0,1]=4 1360 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,1,0,0,0,0|2,0,1]=4 1361 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|3,0,0]=4 1362 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|3,0,0]=4 1363 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|3,0,0]=4 1364 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|2,1,0]=4 1365 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|2,0,0]=3 1366 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|2,0,0]=3 1367 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|2,0,0]=3 1368 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|2,0,0]=3 1369 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|2,0,0]=3 1370 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|3,0,0]=4 1371 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|3,0,0]=4 1372 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|3,0,0]=4 1373 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|3,0,0]=4 1374 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|2,1,0]=4 1375 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|2,1,0]=4 1376 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|2,1,0]=4 1377 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|2,1,0]=4 1378 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|2,1,0]=4 1379 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|2,0,0]=3 1380 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|2,0,0]=3 1381 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|2,0,0]=3 1382 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|2,0,0]=3 1383 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1384 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1385 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1386 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1387 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|2,1,0]=4 1388 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|2,1,0]=4 1389 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|2,0,0]=3 1390 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|2,0,0]=3 1391 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1392 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1393 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|2,1,0]=4 1394 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|2,1,0]=4 1395 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|3,0,0]=4 1396 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|3,0,0]=4 1397 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|3,0,0]=4 1398 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|3,0,0]=4 1399 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|3,0,0]=4 1400 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|3,0,0]=4 1401 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|3,0,0]=4 1402 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|3,0,0]=4 1403 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|3,0,0]=4 1404 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|3,0,0]=4 1405 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|3,0,0]=4 1406 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|3,0,0]=4 1407 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,1,0,0,0,0|2,1,0]=4 1408 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,1,0,0,0,0|2,1,0]=4 1409 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,1,0,0,0,0|2,1,0]=4 1410 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,1,0,0,0,0|2,1,0]=4 1411 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,0,0,0,0|3,0,0]=4 1412 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|1,2,0]=4 1413 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|1,2,0]=4 1414 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,1,0,0,0,0|2,1,0]=4 1415 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|2,1,0]=4 1416 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,1,0,0,0,0|1,2,0]=4 1417 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,0,0,0,0|1,1,0]=3 1418 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,0,0,0,0|1,1,0]=3 1419 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,0,0,0,0|1,1,0]=3 1420 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,0,0,0,0|1,1,0]=3 1421 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,1,0,0,0,0|3,0,0]=4 1422 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|3,0,0]=4 1423 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|3,0,0]=4 1424 B7R0.7 CSCN(C)CC#N 2230a_100000748184_100011218213 [0,1,0,0,0,0|3,0,0]=4 1425 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 1426 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 1427 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,1,0,0,0,0|3,0,0]=4 1428 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,1,0,0,0,0|3,0,0]=4 1429 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,1,0,0,0,0|3,0,0]=4 1430 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,1,0,0,0,0|3,0,0]=4 1431 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,0,0,1,0,0|3,0,0]=4 1432 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,0,0,1,0,0|3,0,0]=4 1433 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|3,0,0]=4 1434 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|3,0,0]=4 1435 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|3,0,0]=4 1436 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|3,0,0]=4 1437 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|3,0,0]=4 1438 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|3,0,0]=4 1439 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,1,0,0|2,1,0]=4 1440 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,1,0,0|2,1,0]=4 1441 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,1,0,0|2,1,0]=4 1442 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,1,0,0|2,1,0]=4 1443 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,1,0,0|2,0,0]=3 1444 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,1,0,0|2,1,0]=4 1445 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,1,0,0|2,1,0]=4 1446 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,1,0,0|2,1,0]=4 1447 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|2,1,0]=4 1448 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|2,1,0]=4 1449 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|2,1,0]=4 1450 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|1,2,0]=4 1451 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,1,0,0|1,2,0]=4 1452 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,1,0,0|1,1,0]=3 1453 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,1,0,0|1,2,0]=4 1454 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|2,0,0]=3 1455 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|2,0,0]=3 1456 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|1,1,0]=3 1457 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|3,0,0]=4 1458 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|3,0,0]=4 1459 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,1,0,0|2,1,0]=4 1460 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,1,0,0|2,1,0]=4 1461 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,1,0,0|2,1,0]=4 1462 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|2,1,0]=4 1463 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|2,1,0]=4 1464 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|1,2,0]=4 1465 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,1,0,0|1,1,0]=3 1466 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,1,0,0|1,2,0]=4 1467 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|2,0,0]=3 1468 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|2,0,0]=3 1469 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|1,1,0]=3 1470 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,1,0,0|2,1,0]=4 1471 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,1,0,0|2,1,0]=4 1472 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,1,0,0|2,1,0]=4 1473 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,1,0,0|2,1,0]=4 1474 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,1,0,0|2,1,0]=4 1475 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,1,0,0|2,1,0]=4 1476 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1477 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1478 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1479 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1480 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1481 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1482 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 1483 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 1484 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1485 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1486 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|2,1,0]=4 1487 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|2,1,0]=4 1488 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|2,1,0]=4 1489 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|2,1,0]=4 1490 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|3,0,0]=4 1491 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,0,1,0,0|3,0,0]=4 1492 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 1493 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 1494 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|3,0,0]=4 1495 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 1496 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|3,0,0]=4 1497 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 1498 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,0,0,1,0,0|2,1,0]=4 1499 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,0,0,1,0,0|2,1,0]=4 1500 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,0,0,1,0,0|2,1,0]=4 1501 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,0,0,1,0,0|2,1,0]=4 1502 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,0,0,1,0,0|2,1,0]=4 1503 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|2,1,0]=4 1504 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|2,1,0]=4 1505 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,0,0,1,0,0|2,1,0]=4 1506 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,0,0,1,0,0|1,2,0]=4 1507 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,0,0,1,0,0|1,2,0]=4 1508 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,0,0,1,0,0|2,1,0]=4 1509 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|2,0,0]=3 1510 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|2,0,0]=3 1511 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,1,0,0|3,0,0]=4 1512 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,1,0,0|3,0,0]=4 1513 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,0,0,1,0,0|1,1,0]=3 1514 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,0,0,1,0,0|1,1,0]=3 1515 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,0,0,1,0,0|2,0,0]=3 1516 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 1517 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 1518 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,0,0,1,0,0|2,1,0]=4 1519 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,0,0,1,0,0|2,1,0]=4 1520 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|2,1,0]=4 1521 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,0,0,1,0,0|2,1,0]=4 1522 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,0,0,1,0,0|1,2,0]=4 1523 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|2,0,0]=3 1524 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|2,0,0]=3 1525 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,1,0,0|3,0,0]=4 1526 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,1,0,0|3,0,0]=4 1527 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,0,0,1,0,0|1,1,0]=3 1528 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,0,0,1,0,0|1,1,0]=3 1529 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [0,0,0,1,0,0|2,0,1]=4 1530 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,0,0,1,0,0|2,0,1]=4 1531 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,0,0,1,0,0|3,0,0]=4 1532 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,0,0,1,0,0|2,1,0]=4 1533 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,0,0,1,0,0|2,0,0]=3 1534 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,0,0,1,0,0|3,0,0]=4 1535 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,0,0,1,0,0|3,0,0]=4 1536 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,0,0,1,0,0|3,0,0]=4 1537 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,0,0,1,0,0|3,0,0]=4 1538 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,0,0,1,0,0|3,0,0]=4 1539 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,0,0,1,0,0|3,0,0]=4 1540 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,0,1,0,0|2,1,0]=4 1541 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,0,1,0,0|2,1,0]=4 1542 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,0,1,0,0|2,1,0]=4 1543 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,0,0,1,0,0|2,1,0]=4 1544 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,0,0,1,0,0|2,1,0]=4 1545 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,0,0,1,0,0|2,1,0]=4 1546 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,0,1,0,0|1,2,0]=4 1547 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,0,1,0,0|1,2,0]=4 1548 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,0,0,1,0,0|1,1,0]=3 1549 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,0,0,1,0,0|2,0,0]=3 1550 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,0,0,1,0,0|2,0,0]=3 1551 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,0,1,0,0|1,1,0]=3 1552 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,0,1,0,0|1,1,0]=3 1553 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,0,0,1,0,0|2,0,0]=3 1554 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,0,0,1,0,0|1,0,0]=2 1555 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,0,0,1,0,0|3,0,0]=4 1556 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [0,0,0,1,0,0|3,0,0]=4 1557 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,0,1,0,0|3,0,0]=4 1558 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,0,0,1,0,0|3,0,0]=4 1559 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,0,0,1,0,0|3,0,0]=4 1560 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,0,0,1,0,0|2,1,0]=4 1561 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,0,0,1,0,0|2,1,0]=4 1562 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,0,1,0,0|1,2,0]=4 1563 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,0,0,1,0,0|2,0,0]=3 1564 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,0,0,1,0,0|2,0,0]=3 1565 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,0,1,0,0|1,1,0]=3 1566 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,0,1,0,0|1,1,0]=3 1567 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|3,0,0]=4 1568 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|3,0,0]=4 1569 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|3,0,0]=4 1570 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|3,0,0]=4 1571 B4R0.2 C#CCSC 62a_100000038162_200000210301 [2,0,0,0,0,0|0,0,2]=4 1572 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [2,0,0,0,0,0|0,0,2]=4 1573 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|0,0,2]=4 1574 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|0,0,2]=4 1575 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|0,0,2]=4 1576 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|0,0,2]=4 1577 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1578 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 1579 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1580 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,1,0]=3 1581 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,1,0]=3 1582 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,1,0]=3 1583 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,0,0]=2 1584 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,0,0]=2 1585 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,0,0]=2 1586 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,0,0]=2 1587 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,0]=3 1588 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|0,1,0]=3 1589 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|1,1,0]=4 1590 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|0,0,0]=2 1591 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|1,0,0]=3 1592 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|1,0,0]=3 1593 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1594 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 1595 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 1596 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1597 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,1,0]=4 1598 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,1,0]=4 1599 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,1,0]=4 1600 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,1,0]=4 1601 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,1,0]=4 1602 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|1,1,0]=4 1603 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|1,0,0]=3 1604 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|1,0,0]=3 1605 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,1,0]=4 1606 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,1,0]=4 1607 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,1,0]=4 1608 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|0,2,0]=4 1609 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|0,1,0]=3 1610 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|0,1,0]=3 1611 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|0,1,0]=3 1612 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|0,1,0]=3 1613 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|0,1,0]=3 1614 B4R0.2 CSCC#N 62a_100011215382_200000210301 [2,0,0,0,0,0|1,0,1]=4 1615 B4R0.2 CSCC#N 62a_200000210301_100011215382 [2,0,0,0,0,0|1,0,1]=4 1616 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|0,1,1]=4 1617 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|0,1,1]=4 1618 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|1,0,0]=3 1619 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|1,0,0]=3 1620 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|0,1,0]=3 1621 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|0,1,0]=3 1622 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|0,0,0]=2 1623 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|0,0,0]=2 1624 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|0,0,0]=2 1625 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|0,0,0]=2 1626 B4R0.2 FCSCF 62a_100015361967_100015361967 [2,0,0,0,0,0|2,0,0]=4 1627 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 1628 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,1,0]=4 1629 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,1,0]=4 1630 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,1,0]=4 1631 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,1,0]=4 1632 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [2,0,0,0,0,0|1,0,1]=4 1633 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [2,0,0,0,0,0|1,0,1]=4 1634 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|0,1,1]=4 1635 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|0,1,1]=4 1636 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|1,0,0]=3 1637 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|1,0,0]=3 1638 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|0,1,0]=3 1639 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|0,1,0]=3 1640 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [1,1,0,0,0,0|1,0,1]=4 1641 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,1,0,0,0,0|1,0,1]=4 1642 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,1,0,0,0,0|1,0,1]=4 1643 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,1,0,0,0,0|1,0,1]=4 1644 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,1,0,0,0,0|1,0,1]=4 1645 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,1,0,0,0,0|1,0,1]=4 1646 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [1,1,0,0,0,0|2,0,0]=4 1647 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [1,1,0,0,0,0|2,0,0]=4 1648 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|1,1,0]=4 1649 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|1,1,0]=4 1650 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|2,0,0]=4 1651 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|1,1,0]=4 1652 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|1,1,0]=4 1653 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|1,1,0]=4 1654 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|1,0,0]=3 1655 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|1,0,0]=3 1656 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|1,0,0]=3 1657 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|1,0,0]=3 1658 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|1,0,0]=3 1659 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|2,0,0]=4 1660 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|2,0,0]=4 1661 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|2,0,0]=4 1662 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|2,0,0]=4 1663 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|2,0,0]=4 1664 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|2,0,0]=4 1665 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|1,1,0]=4 1666 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|1,0,0]=3 1667 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|1,0,0]=3 1668 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|1,0,0]=3 1669 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|1,0,0]=3 1670 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,1,0,0,0,0|2,0,0]=4 1671 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,1,0,0,0,0|2,0,0]=4 1672 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,1,0,0,0,0|2,0,0]=4 1673 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,1,0,0,0,0|2,0,0]=4 1674 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,1,0,0,0,0|2,0,0]=4 1675 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,1,0,0,0,0|2,0,0]=4 1676 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,1,0,0,0,0|2,0,0]=4 1677 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|1,1,0]=4 1678 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|1,0,0]=3 1679 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|1,0,0]=3 1680 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|1,0,0]=3 1681 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|1,0,0]=3 1682 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|2,0,0]=4 1683 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|2,0,0]=4 1684 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|2,0,0]=4 1685 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|2,0,0]=4 1686 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|2,0,0]=4 1687 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|2,0,0]=4 1688 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|2,0,0]=4 1689 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|2,0,0]=4 1690 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,1,0]=4 1691 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,1,0]=4 1692 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,1,0]=4 1693 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,1,0]=4 1694 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,1,0]=4 1695 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,0]=3 1696 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,0]=3 1697 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,0]=3 1698 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,0]=3 1699 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,1,0,0,0,0|2,0,0]=4 1700 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1701 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,1,0,0,0,0|2,0,0]=4 1702 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,1,0,0,0,0|2,0,0]=4 1703 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1704 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,1,0,0,0,0|2,0,0]=4 1705 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1706 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1707 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,1,0,0,0,0|1,1,0]=4 1708 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,1,0,0,0,0|1,1,0]=4 1709 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,1,0,0,0,0|1,0,0]=3 1710 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,1,0,0,0,0|1,0,0]=3 1711 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|2,0,0]=4 1712 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|2,0,0]=4 1713 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|1,1,0]=4 1714 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|1,1,0]=4 1715 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [1,1,0,0,0,0|2,0,0]=4 1716 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [1,1,0,0,0,0|2,0,0]=4 1717 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|1,0,0]=3 1718 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1719 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 1720 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,1,0,0,0,0|0,1,0]=3 1721 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,1,0,0,0,0|0,1,0]=3 1722 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [1,1,0,0,0,0|2,0,0]=4 1723 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [1,1,0,0,0,0|2,0,0]=4 1724 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|2,0,0]=4 1725 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 1726 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|2,0,0]=4 1727 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|2,0,0]=4 1728 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|2,0,0]=4 1729 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|1,1,0]=4 1730 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|1,1,0]=4 1731 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|1,1,0]=4 1732 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|1,0,0]=3 1733 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|1,0,0]=3 1734 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|1,0,0]=3 1735 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|1,0,0]=3 1736 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|1,0,1]=4 1737 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 1738 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 1739 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 1740 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|1,0,1]=4 1741 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|1,0,1]=4 1742 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|1,0,1]=4 1743 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|1,0,1]=4 1744 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,1,0,0,0,0|1,1,0]=4 1745 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,1,0,0,0,0|1,1,0]=4 1746 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,1,0,0,0,0|1,1,0]=4 1747 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,1,0,0,0,0|1,1,0]=4 1748 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|1,0,0]=3 1749 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|1,1,0]=4 1750 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,1,0,0,0,0|1,1,0]=4 1751 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|0,1,1]=4 1752 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|0,1,1]=4 1753 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|0,1,1]=4 1754 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|0,1,1]=4 1755 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|0,2,0]=4 1756 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [1,1,0,0,0,0|1,1,0]=4 1757 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [1,1,0,0,0,0|1,1,0]=4 1758 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|0,2,0]=4 1759 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|0,2,0]=4 1760 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|0,1,0]=3 1761 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|0,1,0]=3 1762 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|0,1,0]=3 1763 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|0,1,0]=3 1764 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,1,0,0,0,0|1,1,0]=4 1765 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|0,2,0]=4 1766 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|0,2,0]=4 1767 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|1,1,0]=4 1768 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [1,1,0,0,0,0|2,0,0]=4 1769 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [1,1,0,0,0,0|2,0,0]=4 1770 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|1,1,0]=4 1771 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|1,1,0]=4 1772 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|2,0,0]=4 1773 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|1,1,0]=4 1774 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|1,1,0]=4 1775 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|1,1,0]=4 1776 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|1,1,0]=4 1777 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,1,0,0,0,0|2,0,0]=4 1778 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,1,0,0,0,0|2,0,0]=4 1779 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|1,1,0]=4 1780 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|1,1,0]=4 1781 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|1,1,0]=4 1782 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|1,1,0]=4 1783 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|1,1,0]=4 1784 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|1,1,0]=4 1785 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,1,0,0,0,0|2,0,0]=4 1786 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,1,0,0,0,0|2,0,0]=4 1787 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|1,1,0]=4 1788 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|1,1,0]=4 1789 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,1,0,0,0,0|1,0,1]=4 1790 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1791 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|2,0,0]=4 1792 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1793 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,1,0]=4 1794 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,1,0]=4 1795 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,1,0]=4 1796 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|1,0,0]=3 1797 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|1,0,0]=3 1798 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|1,0,0]=3 1799 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|1,0,0]=3 1800 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 1801 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,1,0]=4 1802 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,1,0]=4 1803 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,0,0]=3 1804 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,0,0]=3 1805 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|2,0,0]=4 1806 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|2,0,0]=4 1807 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|1,0,1]=4 1808 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|1,0,1]=4 1809 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,1,0,0,0,0|1,0,1]=4 1810 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,1,0,0,0,0|1,0,1]=4 1811 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|1,0,1]=4 1812 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|1,0,1]=4 1813 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,1,0]=4 1814 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,1,0]=4 1815 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,0]=3 1816 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,0]=3 1817 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|0,1,1]=4 1818 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|0,1,1]=4 1819 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,1,0]=4 1820 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|1,1,0]=4 1821 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|1,1,0]=4 1822 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,0,0]=3 1823 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,0,0]=3 1824 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|2,0,0]=4 1825 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|2,0,0]=4 1826 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|0,1,0]=3 1827 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|0,1,0]=3 1828 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,1,0,0,0,0|2,0,0]=4 1829 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,1,0,0,0,0|2,0,0]=4 1830 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|2,0,0]=4 1831 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|2,0,0]=4 1832 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|2,0,0]=4 1833 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|2,0,0]=4 1834 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|2,0,0]=4 1835 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 1836 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|2,0,0]=4 1837 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|1,0,0]=3 1838 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|1,0,0]=3 1839 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|2,0,0]=4 1840 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|2,0,0]=4 1841 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|2,0,0]=4 1842 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1843 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1844 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1845 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 1846 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1847 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 1848 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1849 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1850 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|2,0,0]=4 1851 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|2,0,0]=4 1852 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,1,0]=4 1853 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,1,0]=4 1854 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,0]=3 1855 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,0]=3 1856 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|2,0,0]=4 1857 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|2,0,0]=4 1858 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|2,0,0]=4 1859 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|2,0,0]=4 1860 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1861 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|2,0,0]=4 1862 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1863 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|2,0,0]=4 1864 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,1,0]=4 1865 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,1,0]=4 1866 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,1,0]=4 1867 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,1,0]=4 1868 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,1,0]=4 1869 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,1,0]=4 1870 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,1,0]=4 1871 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|1,1,0]=4 1872 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|1,1,0]=4 1873 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,1,0]=4 1874 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,1,0]=4 1875 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|1,1,0]=4 1876 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,0]=3 1877 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|2,0,0]=4 1878 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|2,0,0]=4 1879 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,0]=3 1880 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|2,0,0]=4 1881 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|2,0,0]=4 1882 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,0]=3 1883 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,0]=3 1884 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|1,0,0]=3 1885 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|1,0,0]=3 1886 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,1,0,0,0,0|2,0,0]=4 1887 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,1,0,0,0,0|2,0,0]=4 1888 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|1,0,0]=3 1889 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|1,0,0]=3 1890 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|2,0,0]=4 1891 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|1,0,0]=3 1892 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|2,0,0]=4 1893 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|2,0,0]=4 1894 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|2,0,0]=4 1895 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|2,0,0]=4 1896 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|2,0,0]=4 1897 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|2,0,0]=4 1898 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|2,0,0]=4 1899 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|2,0,0]=4 1900 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|2,0,0]=4 1901 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,1,0,0,0,0|2,0,0]=4 1902 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|1,1,0]=4 1903 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|1,1,0]=4 1904 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,1,0]=4 1905 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,1,0]=4 1906 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,1,0]=4 1907 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,1,0]=4 1908 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,1,0]=4 1909 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,1,0]=4 1910 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|1,1,0]=4 1911 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|1,1,0]=4 1912 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|1,1,0]=4 1913 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|1,1,0]=4 1914 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|1,1,0]=4 1915 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|1,1,0]=4 1916 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|1,1,0]=4 1917 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|1,1,0]=4 1918 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|1,1,0]=4 1919 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|1,1,0]=4 1920 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,1,0]=4 1921 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|1,1,0]=4 1922 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|0,2,0]=4 1923 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|0,1,0]=3 1924 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|0,1,0]=3 1925 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|1,0,1]=4 1926 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|1,0,1]=4 1927 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,0]=3 1928 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,0]=3 1929 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,0]=3 1930 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,0]=3 1931 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1932 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|2,0,0]=4 1933 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,0]=3 1934 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,0,0]=3 1935 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,0,0]=3 1936 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|1,0,0]=3 1937 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|1,0,0]=3 1938 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|1,0,0]=3 1939 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|1,0,0]=3 1940 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|1,0,0]=3 1941 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|1,0,0]=3 1942 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|1,0,0]=3 1943 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|1,0,0]=3 1944 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|1,0,0]=3 1945 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|1,0,0]=3 1946 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|1,0,0]=3 1947 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|0,1,1]=4 1948 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|0,1,1]=4 1949 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|0,1,0]=3 1950 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|0,1,0]=3 1951 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|0,1,0]=3 1952 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|0,0,0]=2 1953 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|0,0,0]=2 1954 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,1,0]=4 1955 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|2,0,0]=4 1956 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|2,0,0]=4 1957 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1958 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|2,0,0]=4 1959 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,2,0,0,0,0|1,1,0]=4 1960 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,2,0,0,0,0|0,2,0]=4 1962 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,2,0,0,0,0|0,2,0]=4 1963 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,2,0,0,0,0|0,2,0]=4 1964 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,2,0,0,0,0|0,2,0]=4 1965 B8R0.1 CC#CC(C)OCSC 34a_100011216543_100011218213 [0,2,0,0,0,0|1,1,0]=4 1966 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,2,0,0,0,0|2,0,0]=4 1968 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|2,0,0]=4 1972 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,2,0,0,0,0|2,0,0]=4 1974 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,2,0,0,0,0|1,1,0]=4 1976 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,2,0,0,0,0|1,1,0]=4 1977 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,2,0,0,0,0|2,0,0]=4 1979 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,2,0,0,0,0|2,0,0]=4 1980 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|1,1,0]=4 1983 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,2,0,0,0,0|1,1,0]=4 1984 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,2,0,0,0,0|1,1,0]=4 1985 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,2,0,0,0,0|1,0,0]=3 1986 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,2,0,0,0,0|1,0,0]=3 1987 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,2,0,0,0,0|2,0,0]=4 1990 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,2,0,0,0,0|2,0,0]=4 1991 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,2,0,0,0,0|2,0,0]=4 1992 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,2,0,0,0,0|2,0,0]=4 1996 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 1997 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,2,0,0,0,0|2,0,0]=4 1998 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,2,0,0,0,0|2,0,0]=4 2000 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,2,0,0,0,0|2,0,0]=4 2001 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2005 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|1,1,0]=4 2008 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|1,1,0]=4 2009 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|1,1,0]=4 2010 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|1,1,0]=4 2011 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,2,0,0,0,0|2,0,0]=4 2013 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,2,0,0,0,0|2,0,0]=4 2014 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,2,0,0,0,0|2,0,0]=4 2015 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,2,0,0,0,0|1,1,0]=4 2016 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,2,0,0,0,0|1,1,0]=4 2017 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,2,0,0,0,0|2,0,0]=4 2018 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,2,0,0,0,0|1,1,0]=4 2019 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,2,0,0,0,0|1,1,0]=4 2020 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|1,1,0]=4 2021 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,2,0,0,0,0|0,1,0]=3 2022 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,2,0,0,0,0|0,1,0]=3 2023 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,2,0,0,0,0|1,1,0]=4 2024 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,2,0,0,0,0|1,1,0]=4 2025 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|1,1,0]=4 2026 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,2,0,0,0,0|1,1,0]=4 2027 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,2,0,0,0,0|1,1,0]=4 2028 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,2,0,0,0,0|1,1,0]=4 2029 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,2,0,0,0,0|1,1,0]=4 2030 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,2,0,0,0,0|1,1,0]=4 2031 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,2,0,0,0,0|1,1,0]=4 2032 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [0,2,0,0,0,0|0,2,0]=4 2033 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [0,2,0,0,0,0|0,2,0]=4 2034 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,2,0,0,0,0|1,1,0]=4 2035 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,2,0,0,0,0|0,2,0]=4 2036 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,2,0,0,0,0|1,1,0]=4 2037 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|1,0,0]=3 2040 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,2,0,0,0,0|1,0,0]=3 2041 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,2,0,0,0,0|1,0,0]=3 2042 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,2,0,0,0,0|1,1,0]=4 2043 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 2044 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 2045 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,2,0,0,0,0|1,1,0]=4 2048 B8R0.1 CSCSC(C)CC#N 62a_100009813641_100011218213 [0,2,0,0,0,0|1,0,1]=4 2049 B8R0.1 CSCSC(C)CC#N 62a_100011218213_100009813641 [0,2,0,0,0,0|1,0,1]=4 2050 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,2,0,0,0,0|1,0,0]=3 2051 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,2,0,0,0,0|1,0,0]=3 2052 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,2,0,0,0,0|2,0,0]=4 2054 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.4 C#CCCCNCSC 34a_100000718082_100011218213 [0,2,0,0,0,0|2,0,0]=4 2057 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [0,2,0,0,0,0|1,1,0]=4 2058 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,2,0,0,0,0|2,0,0]=4 2059 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,2,0,0,0,0|2,0,0]=4 2060 B8R0.4 C#CCCCSCOC 62a_100000766300_100011215417 [0,2,0,0,0,0|1,1,0]=4 2061 B8R0.4 C#CCCCSCOC 62a_100011215417_100000766300 [0,2,0,0,0,0|1,1,0]=4 2062 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,2,0,0,0,0|1,0,0]=3 2063 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,2,0,0,0,0|1,0,0]=3 2064 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,2,0,0,0,0|1,0,1]=4 2065 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,2,0,0,0,0|1,0,1]=4 2066 B8R0.4 C#CCNCCCSC 2230a_100000749238_100000038162 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [0,2,0,0,0,0|1,1,0]=4 2068 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [0,2,0,0,0,0|1,1,0]=4 2069 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,2,0,0,0,0|2,0,0]=4 2070 B8R0.4 C#CCSCCCOC 62a_100000038162_100000709357 [0,2,0,0,0,0|1,1,0]=4 2071 B8R0.4 C#CCSCCSCC 62a_100000038162_100000757381 [0,2,0,0,0,0|1,0,1]=4 2072 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [0,2,0,0,0,0|1,1,0]=4 2073 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,2,0,0,0,0|1,1,0]=4 2074 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,2,0,0,0,0|1,1,0]=4 2075 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,2,0,0,0,0|1,1,0]=4 2076 B8R0.4 C/C=C/CSC/C=C/C 62a_100102629194_100102629194 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,2,0,0,0,0|2,0,0]=4 2079 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [0,2,0,0,0,0|2,0,0]=4 2081 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [0,2,0,0,0,0|2,0,0]=4 2082 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [0,2,0,0,0,0|1,1,0]=4 2084 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [0,2,0,0,0,0|1,1,0]=4 2085 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,2,0,0,0,0|1,0,0]=3 2086 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,2,0,0,0,0|1,0,0]=3 2087 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [0,2,0,0,0,0|1,1,0]=4 2088 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [0,2,0,0,0,0|1,1,0]=4 2089 B8R0.4 C/C=C/CSCSC#N 62a_100000211825_100102629194 [0,2,0,0,0,0|1,0,1]=4 2090 B8R0.4 C/C=C/CSCSC#N 62a_100102629194_100000211825 [0,2,0,0,0,0|1,0,1]=4 2091 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,2,0,0,0,0|2,0,0]=4 2092 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,2,0,0,0,0|2,0,0]=4 2093 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,2,0,0,0,0|2,0,0]=4 2094 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,2,0,0,0,0|1,1,0]=4 2098 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,2,0,0,0,0|2,0,0]=4 2099 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,2,0,0,0,0|2,0,0]=4 2100 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,2,0,0,0,0|1,1,0]=4 2101 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,2,0,0,0,0|1,1,0]=4 2102 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,2,0,0,0,0|1,0,1]=4 2105 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,2,0,0,0,0|1,0,1]=4 2106 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,2,0,0,0,0|2,0,0]=4 2107 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,2,0,0,0,0|1,1,0]=4 2108 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,2,0,0,0,0|1,1,0]=4 2109 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,2,0,0,0,0|2,0,0]=4 2111 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,2,0,0,0,0|1,1,0]=4 2112 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,2,0,0,0,0|1,1,0]=4 2113 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,2,0,0,0,0|1,0,1]=4 2114 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,2,0,0,0,0|1,0,1]=4 2115 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,2,0,0,0,0|0,1,1]=4 2116 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,2,0,0,0,0|0,1,1]=4 2117 B8R0.4 CC#CCCOCSC 34a_100000750427_100011218213 [0,2,0,0,0,0|1,1,0]=4 2118 B8R0.4 CC#CCNCCSC 2230a_100000685387_100000751147 [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.4 CC#CCNCCSC 2230a_100020590264_100000748600 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.4 CC#CCNCCSC 34a_100000685387_100000212216 [0,2,0,0,0,0|2,0,0]=4 2121 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [0,2,0,0,0,0|1,1,0]=4 2122 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [0,2,0,0,0,0|1,1,0]=4 2123 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [0,2,0,0,0,0|1,1,0]=4 2124 B8R0.4 CC#CCSC/C=C/C 62a_100000748600_100102629194 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.4 CC#CCSC/C=C/C 62a_100102629194_100000748600 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.4 CC#CCSCC#CC 62a_100000748600_100000748600 [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.4 CC#CCSCC=CC 62a_100000070051_100000748600 [0,2,0,0,0,0|2,0,0]=4 2128 B8R0.4 CC#CCSCC=CC 62a_100000748600_100000070051 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.4 CC#CCSCCCF 62a_100000748600_100011934791 [0,2,0,0,0,0|2,0,0]=4 2132 B8R0.4 CC#CCSCCCF 62a_100011934791_100000748600 [0,2,0,0,0,0|2,0,0]=4 2133 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [0,2,0,0,0,0|2,0,0]=4 2134 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [0,2,0,0,0,0|2,0,0]=4 2135 B8R0.4 CC#CCSCCOC 62a_100000233755_100000748600 [0,2,0,0,0,0|1,1,0]=4 2136 B8R0.4 CC#CCSCCOC 62a_100000748600_100000233755 [0,2,0,0,0,0|1,1,0]=4 2137 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [0,2,0,0,0,0|1,0,0]=3 2138 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [0,2,0,0,0,0|1,0,0]=3 2139 B8R0.4 CC#CCSCOCC 62a_100000739092_100000748600 [0,2,0,0,0,0|1,1,0]=4 2140 B8R0.4 CC#CCSCOCC 62a_100000748600_100000739092 [0,2,0,0,0,0|1,1,0]=4 2141 B8R0.4 CC#CCSCSC#N 62a_100000211825_100000748600 [0,2,0,0,0,0|1,0,1]=4 2142 B8R0.4 CC#CCSCSC#N 62a_100000748600_100000211825 [0,2,0,0,0,0|1,0,1]=4 2143 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [0,2,0,0,0,0|1,1,0]=4 2144 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [0,2,0,0,0,0|1,1,0]=4 2147 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [0,2,0,0,0,0|1,1,0]=4 2148 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [0,2,0,0,0,0|1,0,0]=3 2149 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [0,2,0,0,0,0|1,0,0]=3 2150 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,2,0,0,0,0|1,1,0]=4 2152 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,2,0,0,0,0|1,1,0]=4 2153 B8R0.4 CC=CCSC/C=C/C 62a_100000070051_100102629194 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.4 CC=CCSC/C=C/C 62a_100102629194_100000070051 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.4 CC=CCSCC=CC 62a_100000070051_100000070051 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [0,2,0,0,0,0|2,0,0]=4 2162 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [0,2,0,0,0,0|1,1,0]=4 2163 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [0,2,0,0,0,0|1,1,0]=4 2164 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,2,0,0,0,0|1,0,0]=3 2165 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,2,0,0,0,0|1,0,0]=3 2166 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [0,2,0,0,0,0|1,1,0]=4 2167 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [0,2,0,0,0,0|1,1,0]=4 2168 B8R0.4 CC=CCSCSC#N 62a_100000070051_100000211825 [0,2,0,0,0,0|1,0,1]=4 2169 B8R0.4 CC=CCSCSC#N 62a_100000211825_100000070051 [0,2,0,0,0,0|1,0,1]=4 2170 B8R0.4 CCC#CCOCSC 34a_100000032950_100011218213 [0,2,0,0,0,0|1,1,0]=4 2171 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [0,2,0,0,0,0|2,0,0]=4 2172 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [0,2,0,0,0,0|2,0,0]=4 2173 B8R0.4 CCC#CCSCOC 62a_100000766300_100009813939 [0,2,0,0,0,0|1,1,0]=4 2174 B8R0.4 CCC#CCSCOC 62a_100009813939_100000766300 [0,2,0,0,0,0|1,1,0]=4 2175 B8R0.4 CCC#CCSCSC 62a_100009813939_100011218213 [0,2,0,0,0,0|1,0,0]=3 2176 B8R0.4 CCC#CCSCSC 62a_100011218213_100009813939 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,2,0,0,0,0|2,0,0]=4 2179 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,2,0,0,0,0|2,0,0]=4 2181 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,2,0,0,0,0|2,0,0]=4 2182 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,2,0,0,0,0|2,0,0]=4 2184 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,2,0,0,0,0|2,0,0]=4 2185 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,2,0,0,0,0|2,0,0]=4 2186 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,2,0,0,0,0|1,1,0]=4 2187 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,2,0,0,0,0|2,0,0]=4 2188 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,2,0,0,0,0|2,0,0]=4 2189 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,2,0,0,0,0|2,0,0]=4 2190 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,2,0,0,0,0|2,0,0]=4 2191 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,2,0,0,0,0|2,0,0]=4 2193 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,2,0,0,0,0|2,0,0]=4 2194 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,2,0,0,0,0|2,0,0]=4 2195 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,2,0,0,0,0|2,0,0]=4 2196 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,2,0,0,0,0|2,0,0]=4 2197 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,2,0,0,0,0|1,1,0]=4 2198 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,2,0,0,0,0|1,1,0]=4 2199 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,2,0,0,0,0|1,0,0]=3 2200 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,2,0,0,0,0|1,0,0]=3 2201 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,2,0,0,0,0|2,0,0]=4 2202 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,2,0,0,0,0|2,0,0]=4 2203 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,2,0,0,0,0|2,0,0]=4 2204 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,2,0,0,0,0|1,1,0]=4 2205 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,2,0,0,0,0|1,1,0]=4 2206 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,2,0,0,0,0|1,1,0]=4 2207 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,2,0,0,0,0|1,1,0]=4 2208 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,2,0,0,0,0|1,1,0]=4 2209 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,2,0,0,0,0|1,1,0]=4 2210 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,2,0,0,0,0|1,1,0]=4 2211 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,2,0,0,0,0|1,1,0]=4 2212 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,2,0,0,0,0|1,1,0]=4 2213 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,2,0,0,0,0|1,1,0]=4 2214 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,2,0,0,0,0|1,1,0]=4 2215 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,2,0,0,0,0|1,1,0]=4 2216 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,2,0,0,0,0|2,0,0]=4 2217 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,2,0,0,0,0|2,0,0]=4 2219 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,2,0,0,0,0|2,0,0]=4 2220 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,2,0,0,0,0|2,0,0]=4 2221 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,2,0,0,0,0|2,0,0]=4 2222 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,2,0,0,0,0|2,0,0]=4 2223 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,2,0,0,0,0|1,1,0]=4 2224 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,2,0,0,0,0|1,1,0]=4 2225 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,2,0,0,0,0|1,1,0]=4 2226 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,2,0,0,0,0|1,1,0]=4 2227 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,2,0,0,0,0|1,1,0]=4 2228 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,2,0,0,0,0|1,1,0]=4 2229 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,2,0,0,0,0|1,0,0]=3 2230 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,2,0,0,0,0|1,0,0]=3 2231 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,2,0,0,0,0|1,1,0]=4 2232 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,2,0,0,0,0|1,1,0]=4 2233 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,2,0,0,0,0|1,0,1]=4 2234 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,2,0,0,0,0|1,0,1]=4 2235 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,2,0,0,0,0|2,0,0]=4 2236 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,2,0,0,0,0|2,0,0]=4 2237 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,2,0,0,0,0|1,1,0]=4 2238 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,2,0,0,0,0|1,1,0]=4 2239 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,2,0,0,0,0|1,1,0]=4 2240 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,2,0,0,0,0|1,1,0]=4 2241 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,2,0,0,0,0|1,1,0]=4 2242 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,2,0,0,0,0|1,1,0]=4 2243 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,2,0,0,0,0|1,1,0]=4 2244 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,2,0,0,0,0|1,1,0]=4 2245 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,2,0,0,0,0|1,1,0]=4 2246 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,2,0,0,0,0|2,0,0]=4 2248 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,2,0,0,0,0|2,0,0]=4 2249 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,2,0,0,0,0|2,0,0]=4 2250 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,2,0,0,0,0|2,0,0]=4 2251 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,2,0,0,0,0|2,0,0]=4 2252 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,2,0,0,0,0|2,0,0]=4 2253 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,2,0,0,0,0|2,0,0]=4 2254 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,2,0,0,0,0|2,0,0]=4 2256 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,2,0,0,0,0|1,1,0]=4 2257 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,2,0,0,0,0|1,1,0]=4 2258 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,2,0,0,0,0|2,0,0]=4 2259 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,2,0,0,0,0|1,1,0]=4 2260 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,2,0,0,0,0|1,1,0]=4 2261 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,2,0,0,0,0|1,1,0]=4 2262 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,2,0,0,0,0|1,1,0]=4 2263 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,2,0,0,0,0|1,1,0]=4 2264 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,2,0,0,0,0|1,1,0]=4 2265 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,2,0,0,0,0|1,0,1]=4 2266 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,2,0,0,0,0|1,0,1]=4 2267 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,2,0,0,0,0|1,0,0]=3 2268 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,2,0,0,0,0|1,0,0]=3 2269 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,2,0,0,0,0|1,1,0]=4 2270 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,2,0,0,0,0|1,1,0]=4 2271 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,2,0,0,0,0|1,1,0]=4 2272 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,2,0,0,0,0|1,1,0]=4 2273 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,2,0,0,0,0|1,1,0]=4 2274 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,2,0,0,0,0|1,1,0]=4 2275 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,2,0,0,0,0|1,1,0]=4 2276 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,2,0,0,0,0|1,1,0]=4 2277 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,2,0,0,0,0|1,1,0]=4 2278 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,2,0,0,0,0|1,1,0]=4 2279 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,2,0,0,0,0|0,2,0]=4 2280 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [0,2,0,0,0,0|0,2,0]=4 2281 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [0,2,0,0,0,0|0,2,0]=4 2282 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,2,0,0,0,0|0,1,0]=3 2283 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,2,0,0,0,0|0,1,0]=3 2284 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [0,2,0,0,0,0|1,1,0]=4 2285 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [0,2,0,0,0,0|1,1,0]=4 2286 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,2,0,0,0,0|1,1,0]=4 2287 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,2,0,0,0,0|1,1,0]=4 2288 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [0,2,0,0,0,0|0,2,0]=4 2289 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [0,2,0,0,0,0|0,2,0]=4 2290 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,2,0,0,0,0|0,1,0]=3 2291 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,2,0,0,0,0|0,1,0]=3 2292 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [0,2,0,0,0,0|0,2,0]=4 2293 B8R0.4 CCOCSCSC#N 62a_100000211825_100000739092 [0,2,0,0,0,0|0,1,1]=4 2294 B8R0.4 CCOCSCSC#N 62a_100000739092_100000211825 [0,2,0,0,0,0|0,1,1]=4 2295 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,2,0,0,0,0|2,0,0]=4 2296 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,2,0,0,0,0|2,0,0]=4 2297 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,2,0,0,0,0|2,0,0]=4 2298 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,2,0,0,0,0|2,0,0]=4 2299 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,2,0,0,0,0|1,1,0]=4 2300 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,2,0,0,0,0|1,1,0]=4 2301 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,2,0,0,0,0|1,1,0]=4 2302 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,2,0,0,0,0|1,1,0]=4 2303 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [0,2,0,0,0,0|1,1,0]=4 2304 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,2,0,0,0,0|1,0,0]=3 2305 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,2,0,0,0,0|0,1,0]=3 2306 B8R0.4 CCSCCSCC#N 62a_100000757381_100011215382 [0,2,0,0,0,0|2,0,0]=4 2307 B8R0.4 CCSCCSCC#N 62a_100011215382_100000757381 [0,2,0,0,0,0|2,0,0]=4 2308 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,2,0,0,0,0|2,0,0]=4 2309 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,2,0,0,0,0|2,0,0]=4 2310 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,2,0,0,0,0|2,0,0]=4 2311 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,2,0,0,0,0|2,0,0]=4 2312 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,2,0,0,0,0|2,0,0]=4 2313 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,2,0,0,0,0|2,0,0]=4 2314 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [0,2,0,0,0,0|0,1,0]=3 2315 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [0,2,0,0,0,0|0,1,0]=3 2316 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,2,0,0,0,0|0,0,0]=2 2317 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,2,0,0,0,0|0,0,0]=2 2318 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [0,2,0,0,0,0|0,2,0]=4 2319 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [0,2,0,0,0,0|0,2,0]=4 2320 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,2,0,0,0,0|1,1,0]=4 2321 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,2,0,0,0,0|1,1,0]=4 2322 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,2,0,0,0,0|1,1,0]=4 2323 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,2,0,0,0,0|1,1,0]=4 2324 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,2,0,0,0,0|0,2,0]=4 2325 B8R0.4 COCCCSCC#N 62a_100000709357_100011215382 [0,2,0,0,0,0|1,1,0]=4 2326 B8R0.4 COCCCSCC#N 62a_100011215382_100000709357 [0,2,0,0,0,0|1,1,0]=4 2327 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,2,0,0,0,0|1,1,0]=4 2328 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,2,0,0,0,0|1,1,0]=4 2329 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,2,0,0,0,0|1,1,0]=4 2330 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,2,0,0,0,0|1,1,0]=4 2331 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,2,0,0,0,0|1,1,0]=4 2332 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,2,0,0,0,0|1,1,0]=4 2333 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [0,2,0,0,0,0|0,2,0]=4 2334 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [0,2,0,0,0,0|0,2,0]=4 2335 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,2,0,0,0,0|0,1,0]=3 2336 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,2,0,0,0,0|0,1,0]=3 2337 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,2,0,0,0,0|1,1,0]=4 2338 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,2,0,0,0,0|1,1,0]=4 2339 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,2,0,0,0,0|0,2,0]=4 2340 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,2,0,0,0,0|0,2,0]=4 2341 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,2,0,0,0,0|0,2,0]=4 2342 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,2,0,0,0,0|0,2,0]=4 2343 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,2,0,0,0,0|0,2,0]=4 2344 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,2,0,0,0,0|0,2,0]=4 2345 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,2,0,0,0,0|0,2,0]=4 2346 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [0,2,0,0,0,0|0,2,0]=4 2347 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [0,2,0,0,0,0|0,2,0]=4 2348 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,2,0,0,0,0|1,1,0]=4 2349 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,2,0,0,0,0|1,1,0]=4 2350 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,2,0,0,0,0|1,1,0]=4 2351 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,2,0,0,0,0|1,1,0]=4 2352 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [0,2,0,0,0,0|0,2,0]=4 2353 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,2,0,0,0,0|0,1,0]=3 2354 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,2,0,0,0,0|0,1,0]=3 2355 B8R0.4 COCCSCSC#N 62a_100000211825_100000233755 [0,2,0,0,0,0|0,1,1]=4 2356 B8R0.4 COCCSCSC#N 62a_100000233755_100000211825 [0,2,0,0,0,0|0,1,1]=4 2357 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,2,0,0,0,0|1,1,0]=4 2358 B8R0.4 COCSCC#CCO 62a_100000766300_200000047223 [0,2,0,0,0,0|1,1,0]=4 2359 B8R0.4 COCSCC#CCO 62a_200000047223_100000766300 [0,2,0,0,0,0|1,1,0]=4 2360 B8R0.4 COCSCCCC#N 62a_100000687738_100000766300 [0,2,0,0,0,0|1,1,0]=4 2361 B8R0.4 COCSCCCC#N 62a_100000766300_100000687738 [0,2,0,0,0,0|1,1,0]=4 2362 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,2,0,0,0,0|1,1,0]=4 2363 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,2,0,0,0,0|1,1,0]=4 2364 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [0,2,0,0,0,0|1,1,0]=4 2365 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [0,2,0,0,0,0|1,1,0]=4 2366 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,2,0,0,0,0|1,1,0]=4 2367 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,2,0,0,0,0|1,1,0]=4 2368 B8R0.4 COCSCCSC#N 62a_100000034367_100000766300 [0,2,0,0,0,0|0,1,1]=4 2369 B8R0.4 COCSCCSC#N 62a_100000766300_100000034367 [0,2,0,0,0,0|0,1,1]=4 2370 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,2,0,0,0,0|2,0,0]=4 2371 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,2,0,0,0,0|2,0,0]=4 2372 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,2,0,0,0,0|2,0,0]=4 2373 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,2,0,0,0,0|2,0,0]=4 2374 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,2,0,0,0,0|2,0,0]=4 2375 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,2,0,0,0,0|2,0,0]=4 2376 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,2,0,0,0,0|2,0,0]=4 2377 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,2,0,0,0,0|2,0,0]=4 2378 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,2,0,0,0,0|1,1,0]=4 2379 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,2,0,0,0,0|1,1,0]=4 2380 B8R0.4 CSCCCNCC#N 2230a_100000749238_100011215382 [0,2,0,0,0,0|2,0,0]=4 2381 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,2,0,0,0,0|2,0,0]=4 2382 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,2,0,0,0,0|2,0,0]=4 2383 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,2,0,0,0,0|2,0,0]=4 2384 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,2,0,0,0,0|1,0,0]=3 2385 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [0,2,0,0,0,0|1,1,0]=4 2386 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,2,0,0,0,0|1,1,0]=4 2387 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,2,0,0,0,0|1,1,0]=4 2388 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,2,0,0,0,0|1,1,0]=4 2389 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,2,0,0,0,0|1,1,0]=4 2390 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,2,0,0,0,0|1,1,0]=4 2391 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,2,0,0,0,0|1,1,0]=4 2392 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,2,0,0,0,0|0,1,0]=3 2393 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,2,0,0,0,0|2,0,0]=4 2394 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,2,0,0,0,0|2,0,0]=4 2395 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,2,0,0,0,0|2,0,0]=4 2396 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,2,0,0,0,0|2,0,0]=4 2397 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,2,0,0,0,0|1,0,0]=3 2398 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,2,0,0,0,0|1,1,0]=4 2399 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,2,0,0,0,0|1,1,0]=4 2400 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,2,0,0,0,0|1,1,0]=4 2401 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,2,0,0,0,0|1,1,0]=4 2402 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,2,0,0,0,0|1,1,0]=4 2403 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,2,0,0,0,0|1,1,0]=4 2404 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,2,0,0,0,0|1,1,0]=4 2405 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,2,0,0,0,0|1,1,0]=4 2406 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,2,0,0,0,0|0,1,0]=3 2407 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,2,0,0,0,0|0,1,0]=3 2408 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,2,0,0,0,0|1,0,1]=4 2409 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,2,0,0,0,0|1,0,1]=4 2410 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,2,0,0,0,0|1,0,0]=3 2411 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,2,0,0,0,0|1,0,0]=3 2412 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,2,0,0,0,0|1,0,0]=3 2413 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,2,0,0,0,0|1,0,0]=3 2414 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,2,0,0,0,0|0,0,0]=2 2415 B8R0.4 CSCCSCSC#N 62a_100000211825_100000751147 [0,2,0,0,0,0|0,0,1]=3 2416 B8R0.4 CSCCSCSC#N 62a_100000212216_100000211825 [0,2,0,0,0,0|0,0,1]=3 2417 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,2,0,0,0,0|2,0,0]=4 2418 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,2,0,0,0,0|2,0,0]=4 2419 B8R0.4 CSCOCC#CCCl 34a_200000047223_100011218213 [0,2,0,0,0,0|1,1,0]=4 2420 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,2,0,0,0,0|1,1,0]=4 2421 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,2,0,0,0,0|1,1,0]=4 2422 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,2,0,0,0,0|1,1,0]=4 2423 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,2,0,0,0,0|1,1,0]=4 2424 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,2,0,0,0,0|1,1,0]=4 2425 B8R0.4 CSCSCC#CCO 62a_100011218213_200000047223 [0,2,0,0,0,0|1,0,0]=3 2426 B8R0.4 CSCSCC#CCO 62a_200000047223_100011218213 [0,2,0,0,0,0|1,0,0]=3 2427 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,2,0,0,0,0|1,0,0]=3 2428 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,2,0,0,0,0|1,0,0]=3 2429 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,2,0,0,0,0|1,0,0]=3 2430 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,2,0,0,0,0|1,0,0]=3 2431 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,2,0,0,0,0|1,0,0]=3 2432 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,2,0,0,0,0|1,0,0]=3 2433 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,2,0,0,0,0|1,0,0]=3 2434 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,2,0,0,0,0|1,0,0]=3 2435 B8R0.4 CSCSCCSC#N 62a_100000034367_100011218213 [0,2,0,0,0,0|0,0,1]=3 2436 B8R0.4 CSCSCCSC#N 62a_100011218213_100000034367 [0,2,0,0,0,0|0,0,1]=3 2437 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,2,0,0,0,0|2,0,0]=4 2438 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,2,0,0,0,0|2,0,0]=4 2439 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [0,2,0,0,0,0|2,0,0]=4 2440 B8R0.4 N#CSCSCCCF 62a_100000211825_100011934791 [0,2,0,0,0,0|1,0,1]=4 2441 B8R0.4 N#CSCSCCCF 62a_100011934791_100000211825 [0,2,0,0,0,0|1,0,1]=4 2442 B8R0.4 N#CSCSCCCO 62a_100000211825_100011215043 [0,2,0,0,0,0|1,0,1]=4 2443 B8R0.4 N#CSCSCCCO 62a_100011215043_100000211825 [0,2,0,0,0,0|1,0,1]=4 2444 B8R0.4 N#CSCSCSC#N 62a_100000211825_100000211825 [0,2,0,0,0,0|0,0,2]=4 2445 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,2,0,0,0,0|2,0,0]=4 2446 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,2,0,0,0,0|2,0,0]=4 2447 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,2,0,0,0,0|2,0,0]=4 2448 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,2,0,0,0,0|2,0,0]=4 2449 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,2,0,0,0,0|2,0,0]=4 2450 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,2,0,0,0,0|2,0,0]=4 2451 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,2,0,0,0,0|2,0,0]=4 2452 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,2,0,0,0,0|2,0,0]=4 2453 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,2,0,0,0,0|2,0,0]=4 2454 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,2,0,0,0,0|2,0,0]=4 2455 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,2,0,0,0,0|2,0,0]=4 2456 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,2,0,0,0,0|2,0,0]=4 2457 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,2,0,0,0,0|2,0,0]=4 2458 B8R0.6 C#CC(C)SCCSC 62a_200000035995_100000751147 [0,2,0,0,0,0|1,0,1]=4 2459 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,2,0,0,0,0|2,0,0]=4 2460 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,2,0,0,0,0|2,0,0]=4 2461 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [0,2,0,0,0,0|1,1,0]=4 2462 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [0,2,0,0,0,0|1,1,0]=4 2463 B8R0.6 C=C(C#N)CSCSC 62a_100011218213_100000694840 [0,2,0,0,0,0|1,0,1]=4 2464 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [0,2,0,0,0,0|1,1,0]=4 2465 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [0,2,0,0,0,0|1,0,1]=4 2466 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,2,0,0,0,0|1,0,1]=4 2467 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,2,0,0,0,0|1,0,1]=4 2468 B8R0.6 CC#CCSC(C)CC 62a_100000748600_100000758301 [0,2,0,0,0,0|2,0,0]=4 2469 B8R0.6 CC#CCSC(C)CC 62a_100000758301_100000748600 [0,2,0,0,0,0|2,0,0]=4 2470 B8R0.6 CC#CCSC(C)OC 62a_100000748600_100009879195 [0,2,0,0,0,0|1,1,0]=4 2471 B8R0.6 CC#CCSC(C)OC 62a_100009879195_100000748600 [0,2,0,0,0,0|1,1,0]=4 2472 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,2,0,0,0,0|2,0,0]=4 2473 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,2,0,0,0,0|2,0,0]=4 2474 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [0,2,0,0,0,0|1,1,0]=4 2475 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [0,2,0,0,0,0|1,1,0]=4 2476 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|2,0,0]=4 2477 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|1,1,0]=4 2478 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|1,1,0]=4 2479 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|1,1,0]=4 2480 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|1,0,0]=3 2481 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|1,0,0]=3 2482 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,2,0,0,0,0|2,0,0]=4 2483 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,2,0,0,0,0|1,1,0]=4 2484 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,2,0,0,0,0|1,1,0]=4 2485 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,2,0,0,0,0|1,0,0]=3 2486 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,2,0,0,0,0|1,0,0]=3 2487 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,2,0,0,0,0|2,0,0]=4 2488 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,2,0,0,0,0|2,0,0]=4 2489 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,2,0,0,0,0|1,1,0]=4 2490 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,2,0,0,0,0|1,1,0]=4 2491 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,2,0,0,0,0|1,1,0]=4 2492 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,2,0,0,0,0|2,0,0]=4 2493 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,2,0,0,0,0|2,0,0]=4 2494 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,2,0,0,0,0|2,0,0]=4 2495 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,2,0,0,0,0|2,0,0]=4 2496 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,2,0,0,0,0|1,1,0]=4 2497 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,2,0,0,0,0|1,1,0]=4 2498 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,2,0,0,0,0|1,0,0]=3 2499 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,2,0,0,0,0|1,0,0]=3 2500 B8R0.6 CCC(C)SCSC#N 62a_100000211825_100000758301 [0,2,0,0,0,0|1,0,1]=4 2501 B8R0.6 CCC(C)SCSC#N 62a_100000758301_100000211825 [0,2,0,0,0,0|1,0,1]=4 2502 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,2,0,0,0,0|2,0,0]=4 2503 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,2,0,0,0,0|1,1,0]=4 2504 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,2,0,0,0,0|1,1,0]=4 2505 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,2,0,0,0,0|1,0,0]=3 2506 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,2,0,0,0,0|1,0,0]=3 2507 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,2,0,0,0,0|2,0,0]=4 2508 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,2,0,0,0,0|2,0,0]=4 2509 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,2,0,0,0,0|2,0,0]=4 2510 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,2,0,0,0,0|2,0,0]=4 2511 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,2,0,0,0,0|2,0,0]=4 2512 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,2,0,0,0,0|1,1,0]=4 2514 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,2,0,0,0,0|1,1,0]=4 2515 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|2,0,0]=4 2516 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|2,0,0]=4 2517 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|2,0,0]=4 2518 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|2,0,0]=4 2519 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|2,0,0]=4 2520 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 2521 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 2522 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 2523 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|2,0,0]=4 2524 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|1,1,0]=4 2526 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|1,1,0]=4 2527 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,2,0,0,0,0|2,0,0]=4 2528 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,2,0,0,0,0|2,0,0]=4 2529 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,2,0,0,0,0|2,0,0]=4 2531 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,2,0,0,0,0|2,0,0]=4 2532 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,2,0,0,0,0|2,0,0]=4 2533 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,2,0,0,0,0|2,0,0]=4 2534 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,2,0,0,0,0|2,0,0]=4 2535 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 2540 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,2,0,0,0,0|2,0,0]=4 2541 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,2,0,0,0,0|2,0,0]=4 2542 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,2,0,0,0,0|2,0,0]=4 2543 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,2,0,0,0,0|2,0,0]=4 2544 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,2,0,0,0,0|1,1,0]=4 2545 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,2,0,0,0,0|1,1,0]=4 2546 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,2,0,0,0,0|0,2,0]=4 2547 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,2,0,0,0,0|0,2,0]=4 2548 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,2,0,0,0,0|1,1,0]=4 2549 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,2,0,0,0,0|1,1,0]=4 2550 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,2,0,0,0,0|1,0,0]=3 2552 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 2556 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|2,0,0]=4 2559 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|2,0,0]=4 2560 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,2,0,0,0,0|2,0,0]=4 2561 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,2,0,0,0,0|1,1,0]=4 2562 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,2,0,0,0,0|1,1,0]=4 2563 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,2,0,0,0,0|1,1,0]=4 2564 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,2,0,0,0,0|1,0,0]=3 2565 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,2,0,0,0,0|1,0,0]=3 2566 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|1,1,0]=4 2568 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|1,1,0]=4 2569 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|1,1,0]=4 2570 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|1,1,0]=4 2571 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|0,1,0]=3 2572 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|0,1,0]=3 2573 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,2,0,0,0,0|0,2,0]=4 2574 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,2,0,0,0,0|1,1,0]=4 2575 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,2,0,0,0,0|1,1,0]=4 2576 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,2,0,0,0,0|1,1,0]=4 2577 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,2,0,0,0,0|1,1,0]=4 2578 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,2,0,0,0,0|0,1,0]=3 2579 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,2,0,0,0,0|0,1,0]=3 2580 B8R0.6 COC(C)SCSC#N 62a_100000211825_100009879195 [0,2,0,0,0,0|0,1,1]=4 2581 B8R0.6 COC(C)SCSC#N 62a_100009879195_100000211825 [0,2,0,0,0,0|0,1,1]=4 2582 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,2,0,0,0,0|0,2,0]=4 2583 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,2,0,0,0,0|0,2,0]=4 2584 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|0,2,0]=4 2585 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|0,2,0]=4 2586 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,2,0,0,0,0|1,1,0]=4 2587 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,2,0,0,0,0|1,1,0]=4 2588 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,2,0,0,0,0|1,1,0]=4 2589 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,2,0,0,0,0|1,1,0]=4 2590 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,2,0,0,0,0|1,1,0]=4 2591 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,2,0,0,0,0|1,1,0]=4 2592 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,2,0,0,0,0|1,1,0]=4 2593 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,2,0,0,0,0|1,1,0]=4 2594 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,2,0,0,0,0|1,1,0]=4 2595 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|2,0,0]=4 2596 B8R0.6 CSCCSC(C)C#N 62a_100000212216_100000703298 [0,2,0,0,0,0|2,0,0]=4 2597 B8R0.6 CSCCSC(C)C#N 62a_100000703298_100000751147 [0,2,0,0,0,0|2,0,0]=4 2598 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,2,0,0,0,0|2,0,0]=4 2599 B8R0.6 CSCCSC(F)C#N 62a_100000212216_200000117898 [0,2,0,0,0,0|2,0,0]=4 2600 B8R0.6 CSCCSC(F)C#N 62a_200000117898_100000751147 [0,2,0,0,0,0|2,0,0]=4 2601 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,2,0,0,0,0|2,0,0]=4 2602 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,2,0,0,0,0|2,0,0]=4 2603 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,2,0,0,0,0|2,0,0]=4 2604 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,2,0,0,0,0|2,0,0]=4 2605 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,2,0,0,0,0|2,0,0]=4 2606 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [0,2,0,0,0,0|1,1,0]=4 2607 B8R0.6 CSCOCC(Cl)CCl 34a_100000033668_100011218213 [0,2,0,0,0,0|1,1,0]=4 2608 B8R0.6 CSCOC[C@H](F)CN 34a_100015665980_100011218213 [0,2,0,0,0,0|1,1,0]=4 2609 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,2,0,0,0,0|1,0,0]=3 2610 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,2,0,0,0,0|1,0,0]=3 2611 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,2,0,0,0,0|1,0,0]=3 2612 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,2,0,0,0,0|1,0,0]=3 2613 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,2,0,0,0,0|1,0,0]=3 2614 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,2,0,0,0,0|1,0,0]=3 2615 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,2,0,0,0,0|1,0,0]=3 2616 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,2,0,0,0,0|1,0,0]=3 2617 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,2,0,0,0,0|2,0,0]=4 2619 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,2,0,0,0,0|2,0,0]=4 2622 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,2,0,0,0,0|2,0,0]=4 2623 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,2,0,0,0,0|1,1,0]=4 2624 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,2,0,0,0,0|2,0,0]=4 2625 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,2,0,0,0,0|1,1,0]=4 2627 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,2,0,0,0,0|1,1,0]=4 2628 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,2,0,0,0,0|1,0,0]=3 2629 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,2,0,0,0,0|1,0,0]=3 2630 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,2,0,0,0,0|1,1,0]=4 2632 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,2,0,0,0,0|1,1,0]=4 2633 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,2,0,0,0,0|1,1,0]=4 2634 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [0,2,0,0,0,0|2,0,0]=4 2635 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [0,2,0,0,0,0|2,0,0]=4 2636 B8R0.7 C=C(C)CSCC#CC 62a_100000748600_100000211660 [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.7 C=C(C)CSCC#CC 62a_100000748629_100000748600 [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [0,2,0,0,0,0|2,0,0]=4 2639 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [0,2,0,0,0,0|2,0,0]=4 2640 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,2,0,0,0,0|2,0,0]=4 2641 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,2,0,0,0,0|2,0,0]=4 2642 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,2,0,0,0,0|2,0,0]=4 2643 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,2,0,0,0,0|2,0,0]=4 2644 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,2,0,0,0,0|2,0,0]=4 2645 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,2,0,0,0,0|2,0,0]=4 2646 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,2,0,0,0,0|1,1,0]=4 2647 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,2,0,0,0,0|1,1,0]=4 2648 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,2,0,0,0,0|1,0,0]=3 2649 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,2,0,0,0,0|1,0,0]=3 2650 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,2,0,0,0,0|1,1,0]=4 2651 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,2,0,0,0,0|1,1,0]=4 2652 B8R0.7 C=C(C)CSCSC#N 62a_100000211825_100000211660 [0,2,0,0,0,0|1,0,1]=4 2653 B8R0.7 C=C(C)CSCSC#N 62a_100000748629_100000211825 [0,2,0,0,0,0|1,0,1]=4 2654 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,2,0,0,0,0|1,0,1]=4 2655 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,2,0,0,0,0|1,0,1]=4 2656 B8R0.7 CC#CCSCC(C)C 62a_100000210624_100000748600 [0,2,0,0,0,0|2,0,0]=4 2657 B8R0.7 CC#CCSCC(C)C 62a_100000748600_100000210760 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.7 CC#CCSCC(C)O 62a_100000748600_100011218427 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.7 CC#CCSCC(C)O 62a_100011218427_100000748600 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.7 CC#CCSC[C@@H](C)O 62a_100000748600_100009817552 [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.7 CC#CCSC[C@@H](C)O 62a_100009817552_100000748600 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,2,0,0,0,0|2,0,0]=4 2665 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,2,0,0,0,0|2,0,0]=4 2666 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,2,0,0,0,0|1,1,0]=4 2667 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,2,0,0,0,0|1,1,0]=4 2668 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,2,0,0,0,0|1,0,0]=3 2669 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,2,0,0,0,0|1,0,0]=3 2670 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,2,0,0,0,0|1,1,0]=4 2671 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,2,0,0,0,0|1,1,0]=4 2672 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,2,0,0,0,0|2,0,0]=4 2673 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,2,0,0,0,0|2,0,0]=4 2676 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,2,0,0,0,0|2,0,0]=4 2677 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,2,0,0,0,0|2,0,0]=4 2680 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,2,0,0,0,0|1,1,0]=4 2681 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,2,0,0,0,0|1,1,0]=4 2682 B8R0.7 CC(C)CSCSC#N 62a_100000210624_100000211825 [0,2,0,0,0,0|1,0,1]=4 2683 B8R0.7 CC(C)CSCSC#N 62a_100000211825_100000210760 [0,2,0,0,0,0|1,0,1]=4 2684 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,2,0,0,0,0|2,0,0]=4 2686 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,2,0,0,0,0|2,0,0]=4 2687 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,2,0,0,0,0|2,0,0]=4 2688 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,2,0,0,0,0|2,0,0]=4 2689 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,2,0,0,0,0|2,0,0]=4 2690 B8R0.7 CC(O)CSCSC#N 62a_100000211825_100011218427 [0,2,0,0,0,0|1,0,1]=4 2691 B8R0.7 CC(O)CSCSC#N 62a_100011218427_100000211825 [0,2,0,0,0,0|1,0,1]=4 2692 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,2,0,0,0,0|2,0,0]=4 2694 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,2,0,0,0,0|2,0,0]=4 2695 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,2,0,0,0,0|2,0,0]=4 2697 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,2,0,0,0,0|2,0,0]=4 2698 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,2,0,0,0,0|2,0,0]=4 2699 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,2,0,0,0,0|2,0,0]=4 2700 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,2,0,0,0,0|2,0,0]=4 2701 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,2,0,0,0,0|2,0,0]=4 2702 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,2,0,0,0,0|2,0,0]=4 2703 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,2,0,0,0,0|2,0,0]=4 2704 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,2,0,0,0,0|2,0,0]=4 2705 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,2,0,0,0,0|2,0,0]=4 2706 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,2,0,0,0,0|2,0,0]=4 2707 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,2,0,0,0,0|2,0,0]=4 2708 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,2,0,0,0,0|2,0,0]=4 2712 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,2,0,0,0,0|1,1,0]=4 2718 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,2,0,0,0,0|1,1,0]=4 2719 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [0,2,0,0,0,0|1,1,0]=4 2720 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [0,2,0,0,0,0|1,1,0]=4 2721 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,2,0,0,0,0|1,1,0]=4 2722 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,2,0,0,0,0|1,1,0]=4 2723 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,2,0,0,0,0|1,1,0]=4 2724 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,2,0,0,0,0|1,1,0]=4 2725 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,2,0,0,0,0|1,1,0]=4 2726 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,2,0,0,0,0|1,1,0]=4 2727 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,2,0,0,0,0|2,0,0]=4 2730 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,2,0,0,0,0|2,0,0]=4 2731 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,2,0,0,0,0|2,0,0]=4 2732 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,2,0,0,0,0|2,0,0]=4 2733 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.7 CN(C)CCCSCF 62a_100015361967_100000757444 [0,2,0,0,0,0|2,0,0]=4 2736 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,2,0,0,0,0|2,0,0]=4 2737 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,2,0,0,0,0|2,0,0]=4 2738 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,2,0,0,0,0|2,0,0]=4 2739 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,2,0,0,0,0|1,1,0]=4 2740 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,2,0,0,0,0|1,1,0]=4 2741 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,2,0,0,0,0|1,1,0]=4 2742 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,2,0,0,0,0|1,1,0]=4 2743 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,2,0,0,0,0|1,1,0]=4 2744 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,2,0,0,0,0|1,1,0]=4 2745 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,2,0,0,0,0|1,1,0]=4 2746 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,2,0,0,0,0|1,1,0]=4 2747 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,2,0,0,0,0|1,1,0]=4 2748 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,2,0,0,0,0|1,1,0]=4 2749 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,2,0,0,0,0|1,1,0]=4 2750 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [0,2,0,0,0,0|1,1,0]=4 2751 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [0,2,0,0,0,0|1,1,0]=4 2752 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,2,0,0,0,0|1,1,0]=4 2753 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,2,0,0,0,0|1,1,0]=4 2754 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,2,0,0,0,0|1,1,0]=4 2755 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,2,0,0,0,0|1,1,0]=4 2756 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,2,0,0,0,0|1,1,0]=4 2757 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,2,0,0,0,0|1,1,0]=4 2758 B8R0.7 COCSCCN(C)C 62a_100000766300_100000755713 [0,2,0,0,0,0|1,1,0]=4 2759 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,2,0,0,0,0|0,2,0]=4 2760 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,2,0,0,0,0|0,2,0]=4 2761 B8R0.7 COCSCOC(C)C 62a_100000709892_100000766300 [0,2,0,0,0,0|0,2,0]=4 2762 B8R0.7 COCSCOC(C)C 62a_100000766300_100000709892 [0,2,0,0,0,0|0,2,0]=4 2763 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,2,0,0,0,0|2,0,0]=4 2764 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,2,0,0,0,0|2,0,0]=4 2766 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,2,0,0,0,0|2,0,0]=4 2768 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 2769 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,2,0,0,0,0|1,1,0]=4 2774 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,2,0,0,0,0|1,1,0]=4 2775 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,2,0,0,0,0|1,1,0]=4 2776 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,2,0,0,0,0|1,1,0]=4 2777 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,2,0,0,0,0|1,1,0]=4 2778 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,2,0,0,0,0|1,1,0]=4 2779 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,2,0,0,0,0|1,0,0]=3 2780 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,2,0,0,0,0|1,0,0]=3 2781 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,2,0,0,0,0|2,0,0]=4 2784 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,2,0,0,0,0|2,0,0]=4 2785 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,2,0,0,0,0|2,0,0]=4 2786 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,2,0,0,0,0|2,0,0]=4 2787 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,2,0,0,0,0|2,0,0]=4 2788 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,2,0,0,0,0|2,0,0]=4 2789 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,2,0,0,0,0|1,1,0]=4 2790 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,2,0,0,0,0|1,1,0]=4 2791 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,2,0,0,0,0|1,1,0]=4 2792 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,2,0,0,0,0|1,1,0]=4 2793 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,2,0,0,0,0|1,1,0]=4 2794 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,2,0,0,0,0|1,1,0]=4 2795 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,2,0,0,0,0|1,1,0]=4 2796 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,2,0,0,0,0|1,1,0]=4 2797 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,2,0,0,0,0|1,1,0]=4 2798 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,2,0,0,0,0|1,1,0]=4 2799 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,2,0,0,0,0|1,1,0]=4 2800 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,2,0,0,0,0|1,1,0]=4 2801 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,2,0,0,0,0|2,0,0]=4 2802 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,2,0,0,0,0|2,0,0]=4 2803 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,2,0,0,0,0|2,0,0]=4 2804 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,2,0,0,0,0|2,0,0]=4 2805 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,2,0,0,0,0|1,0,0]=3 2806 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,2,0,0,0,0|1,0,0]=3 2807 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,2,0,0,0,0|1,0,0]=3 2808 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,2,0,0,0,0|1,0,0]=3 2809 B8R0.7 CSCCSCC(F)F 62a_100000212216_100011934356 [0,2,0,0,0,0|2,0,0]=4 2810 B8R0.7 CSCCSCC(F)F 62a_100011934356_100000751147 [0,2,0,0,0,0|2,0,0]=4 2811 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,2,0,0,0,0|1,0,0]=3 2812 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,2,0,0,0,0|1,0,0]=3 2813 B8R0.7 CSCCSC[N+](=O)[O-] 62a_100000212216_100000761209 [0,2,0,0,0,0|2,0,0]=4 2814 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,2,0,0,0,0|2,0,0]=4 2815 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,2,0,0,0,0|2,0,0]=4 2816 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [0,2,0,0,0,0|1,1,0]=4 2817 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,2,0,0,0,0|1,1,0]=4 2818 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,2,0,0,0,0|1,1,0]=4 2819 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,2,0,0,0,0|1,1,0]=4 2820 B8R0.7 CSCOCCC(F)F 34a_100103093639_100011218213 [0,2,0,0,0,0|1,1,0]=4 2821 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,2,0,0,0,0|1,1,0]=4 2822 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [0,2,0,0,0,0|1,0,0]=3 2823 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [0,2,0,0,0,0|1,0,0]=3 2824 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,2,0,0,0,0|1,0,0]=3 2825 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,2,0,0,0,0|1,0,0]=3 2826 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,2,0,0,0,0|1,0,1]=4 2827 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,2,0,0,0,0|1,0,1]=4 2828 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,2,0,0,0,0|1,0,0]=3 2829 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,2,0,0,0,0|1,0,0]=3 2830 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,2,0,0,0,0|1,0,0]=3 2831 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,2,0,0,0,0|1,0,0]=3 2832 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [0,2,0,0,0,0|1,0,0]=3 2833 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,2,0,0,0,0|0,1,0]=3 2834 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,2,0,0,0,0|0,1,0]=3 2835 B8R0.7 CSCSCOC(C)C 62a_100000709892_100011218213 [0,2,0,0,0,0|0,1,0]=3 2836 B8R0.7 CSCSCOC(C)C 62a_100011218213_100000709892 [0,2,0,0,0,0|0,1,0]=3 2837 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,2,0,0,0,0|2,0,0]=4 2839 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,2,0,0,0,0|2,0,0]=4 2841 B8R0.7 C[C@@H](O)CSCSC#N 62a_100000211825_100009817552 [0,2,0,0,0,0|1,0,1]=4 2842 B8R0.7 C[C@@H](O)CSCSC#N 62a_100009817552_100000211825 [0,2,0,0,0,0|1,0,1]=4 2843 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|2,0,0]=4 2844 B8R0.3 CCC(C)N(C)CSC 2230a_100000741768_100011218213 [0,2,0,0,0,0|2,0,0]=4 2845 B8R0.3 CCC(C)N(C)CSC 269982a_100000741768_100011218213 [0,2,0,0,0,0|2,0,0]=4 2846 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|2,0,0]=4 2847 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|2,0,0]=4 2848 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|2,0,0]=4 2849 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|1,1,0]=4 2850 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|1,1,0]=4 2851 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,2,0,0,0,0|2,0,0]=4 2852 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|2,0,0]=4 2853 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|2,0,0]=4 2854 B8R0.8 CSCNC(C)C(C)C 2230a_100000211541_100011218213 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|1,1,0]=4 2856 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|1,0,0]=3 2857 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|1,0,0]=3 2858 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|2,0,0]=4 2859 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,2,0,0,0,0|2,0,0]=4 2862 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,2,0,0,0,0|1,1,0]=4 2867 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,2,0,0,0,0|1,1,0]=4 2868 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,2,0,0,0,0|2,0,0]=4 2871 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,2,0,0,0,0|2,0,0]=4 2873 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,2,0,0,0,0|2,0,0]=4 2874 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,2,0,0,0,0|2,0,0]=4 2875 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,2,0,0,0,0|2,0,0]=4 2876 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,2,0,0,0,0|1,1,0]=4 2877 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,2,0,0,0,0|1,1,0]=4 2878 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,2,0,0,0,0|1,1,0]=4 2879 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,2,0,0,0,0|1,1,0]=4 2880 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,2,0,0,0,0|1,1,0]=4 2881 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,2,0,0,0,0|1,1,0]=4 2882 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,2,0,0,0,0|2,0,0]=4 2883 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,2,0,0,0,0|2,0,0]=4 2884 B8R0.11 C#CC(CC)OCSC 34a_100000758843_100011218213 [0,2,0,0,0,0|1,1,0]=4 2885 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,2,0,0,0,0|1,1,0]=4 2886 B8R0.11 CCC(CC)NCSC 2230a_100000199018_100011218213 [0,2,0,0,0,0|2,0,0]=4 2887 B8R0.11 CCC(CC)SCOC 62a_100000210505_100000766300 [0,2,0,0,0,0|1,1,0]=4 2888 B8R0.11 CCC(CC)SCOC 62a_100000766300_100000210505 [0,2,0,0,0,0|1,1,0]=4 2889 B8R0.11 CCC(CC)SCSC 62a_100000210505_100011218213 [0,2,0,0,0,0|1,0,0]=3 2890 B8R0.11 CCC(CC)SCSC 62a_100011218213_100000210505 [0,2,0,0,0,0|1,0,0]=3 2891 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|2,0,0]=4 2892 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|2,0,0]=4 2893 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|2,0,0]=4 2894 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|2,0,0]=4 2895 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,2,0,0,0,0|2,0,0]=4 2896 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,2,0,0,0,0|2,0,0]=4 2897 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [0,2,0,0,0,0|2,0,0]=4 2898 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,2,0,0,0,0|2,0,0]=4 2899 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [0,2,0,0,0,0|1,1,0]=4 2900 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [0,2,0,0,0,0|1,1,0]=4 2901 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [0,2,0,0,0,0|1,1,0]=4 2902 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [0,2,0,0,0,0|1,1,0]=4 2903 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.11 CSCSC(C#N)C#N 62a_100000722193_100011218213 [0,2,0,0,0,0|2,0,0]=4 2905 B8R0.11 CSCSC(C#N)C#N 62a_100011218213_100000722193 [0,2,0,0,0,0|2,0,0]=4 2906 B8R0.11 CSCSC(C=O)C=O 62a_100000736813_100011218213 [0,2,0,0,0,0|2,0,0]=4 2907 B8R0.11 CSCSC(C=O)C=O 62a_100011218213_100000736813 [0,2,0,0,0,0|2,0,0]=4 2908 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,2,0,0,0,0|2,0,0]=4 2909 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,2,0,0,0,0|1,1,0]=4 2910 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,2,0,0,0,0|1,1,0]=4 2911 B8R0.19 COC(C)SC(C)OC 62a_100009879195_100009879195 [0,2,0,0,0,0|0,2,0]=4 2912 B8R0.25 C#CC(C)(C)SCSC 62a_100000038118_100011218213 [0,2,0,0,0,0|1,0,1]=4 2913 B8R0.25 C#CC(C)(C)SCSC 62a_100011218213_100000038118 [0,2,0,0,0,0|1,0,1]=4 2914 B8R0.25 C=CC(F)(F)SCSC 62a_100009814244_100011218213 [0,2,0,0,0,0|1,0,1]=4 2915 B8R0.25 C=CC(F)(F)SCSC 62a_100011218213_100009814244 [0,2,0,0,0,0|1,0,1]=4 2916 B8R0.25 CCC(C)(C)NCSC 2230a_100000211385_100011218213 [0,2,0,0,0,0|2,0,0]=4 2917 B8R0.25 CCC(C)(C)SCOC 62a_100000032637_100000766300 [0,2,0,0,0,0|1,1,0]=4 2918 B8R0.25 CCC(C)(C)SCOC 62a_100000766300_100000032637 [0,2,0,0,0,0|1,1,0]=4 2919 B8R0.25 CCC(C)(C)SCSC 62a_100000032637_100011218213 [0,2,0,0,0,0|1,0,0]=3 2920 B8R0.25 CCC(C)(C)SCSC 62a_100011218213_100000032637 [0,2,0,0,0,0|1,0,0]=3 2921 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,2,0,0,0,0|2,0,0]=4 2922 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.25 CSCSC(C)(C)C#N 62a_100011162410_100011218213 [0,2,0,0,0,0|2,0,0]=4 2924 B8R0.25 CSCSC(C)(C)C#N 62a_100011218213_100011162410 [0,2,0,0,0,0|2,0,0]=4 2925 B8R0.25 CSCSC(F)(F)CO 62a_100011217949_100011218213 [0,2,0,0,0,0|2,0,0]=4 2926 B8R0.25 CSCSC(F)(F)CO 62a_100011218213_100011217949 [0,2,0,0,0,0|2,0,0]=4 2927 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|2,0,0]=4 2928 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,2,0,0,0,0|2,0,0]=4 2929 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,2,0,0,0,0|2,0,0]=4 2930 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,2,0,0,0,0|2,0,0]=4 2931 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,2,0,0,0,0|2,0,0]=4 2932 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|2,0,0]=4 2933 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|2,0,0]=4 2934 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,2,0,0,0,0|2,0,0]=4 2935 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,2,0,0,0,0|2,0,0]=4 2936 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [0,2,0,0,0,0|2,0,0]=4 2937 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [0,2,0,0,0,0|2,0,0]=4 2938 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 2939 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 2940 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,2,0,0,0,0|2,0,0]=4 2941 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,2,0,0,0,0|2,0,0]=4 2942 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [0,2,0,0,0,0|2,0,0]=4 2943 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [0,2,0,0,0,0|2,0,0]=4 2944 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [0,2,0,0,0,0|2,0,0]=4 2945 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [0,2,0,0,0,0|2,0,0]=4 2946 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [0,2,0,0,0,0|2,0,0]=4 2947 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [0,2,0,0,0,0|2,0,0]=4 2948 B8R0.21 CCCSC[N+](C)(C)C 62a_100000210303_200000036245 [0,2,0,0,0,0|2,0,0]=4 2949 B8R0.21 CCCSC[N+](C)(C)C 62a_200000036245_100000210303 [0,2,0,0,0,0|2,0,0]=4 2950 B8R0.21 CCCSC[Si](C)(C)C 62a_100000037933_100000210303 [0,2,0,0,0,0|2,0,0]=4 2951 B8R0.21 CCCSC[Si](C)(C)C 62a_100000210303_100000037933 [0,2,0,0,0,0|2,0,0]=4 2952 B8R0.21 COCSCC(C)(C)C 62a_100000766300_100011219605 [0,2,0,0,0,0|1,1,0]=4 2953 B8R0.21 COCSCC(C)(C)C 62a_100011219605_100000766300 [0,2,0,0,0,0|1,1,0]=4 2954 B8R0.21 COCSCC(C)(C)F 62a_100000766300_100011997219 [0,2,0,0,0,0|1,1,0]=4 2955 B8R0.21 COCSCC(C)(C)F 62a_100011997219_100000766300 [0,2,0,0,0,0|1,1,0]=4 2956 B8R0.21 COCSCC(C)(C)O 62a_100000764493_100000766300 [0,2,0,0,0,0|1,1,0]=4 2957 B8R0.21 COCSCC(C)(C)O 62a_100000766300_100000764493 [0,2,0,0,0,0|1,1,0]=4 2958 B8R0.21 COCSC[N+](C)(C)C 62a_100000766300_200000036245 [0,2,0,0,0,0|1,1,0]=4 2959 B8R0.21 COCSC[N+](C)(C)C 62a_200000036245_100000766300 [0,2,0,0,0,0|1,1,0]=4 2960 B8R0.21 COCSC[Si](C)(C)C 62a_100000037933_100000766300 [0,2,0,0,0,0|1,1,0]=4 2961 B8R0.21 COCSC[Si](C)(C)C 62a_100000766300_100000037933 [0,2,0,0,0,0|1,1,0]=4 2962 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [0,2,0,0,0,0|1,0,1]=4 2963 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [0,2,0,0,0,0|1,0,1]=4 2964 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,2,0,0,0,0|2,0,0]=4 2965 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,2,0,0,0,0|2,0,0]=4 2966 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [0,2,0,0,0,0|1,0,1]=4 2967 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [0,2,0,0,0,0|1,0,1]=4 2968 B8R0.21 CSCCC[N+](C)(C)C 62a_100016990835_200000210301 [0,2,0,0,0,0|2,0,0]=4 2969 B8R0.21 CSCCC[N+](C)(C)C 62a_200000210301_100016990835 [0,2,0,0,0,0|2,0,0]=4 2970 B8R0.21 CSCCC[Si](C)(C)C 62a_100011219597_200000210301 [0,2,0,0,0,0|2,0,0]=4 2971 B8R0.21 CSCCC[Si](C)(C)C 62a_200000210301_100011219597 [0,2,0,0,0,0|2,0,0]=4 2972 B8R0.21 CSCNCC(C)(C)C 2230a_100000743828_100011218213 [0,2,0,0,0,0|2,0,0]=4 2973 B8R0.21 CSCNCC(C)(C)F 2230a_100020643315_100011218213 [0,2,0,0,0,0|2,0,0]=4 2974 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [0,2,0,0,0,0|2,0,0]=4 2975 B8R0.21 CSCOCC(C)(C)F 34a_100000716592_100011218213 [0,2,0,0,0,0|1,1,0]=4 2976 B8R0.21 CSCOCC(C)(F)F 34a_100000068830_100011218213 [0,2,0,0,0,0|1,1,0]=4 2977 B8R0.21 CSCSCC(C)(C)C 62a_100011218213_100011219605 [0,2,0,0,0,0|1,0,0]=3 2978 B8R0.21 CSCSCC(C)(C)C 62a_100011219605_100011218213 [0,2,0,0,0,0|1,0,0]=3 2979 B8R0.21 CSCSCC(C)(C)F 62a_100011218213_100011997219 [0,2,0,0,0,0|1,0,0]=3 2980 B8R0.21 CSCSCC(C)(C)F 62a_100011997219_100011218213 [0,2,0,0,0,0|1,0,0]=3 2981 B8R0.21 CSCSCC(C)(C)O 62a_100000764493_100011218213 [0,2,0,0,0,0|1,0,0]=3 2982 B8R0.21 CSCSCC(C)(C)O 62a_100011218213_100000764493 [0,2,0,0,0,0|1,0,0]=3 2983 B8R0.21 CSCSCC(F)(F)F 62a_100000763148_100011218213 [0,2,0,0,0,0|2,0,0]=4 2984 B8R0.21 CSCSCC(F)(F)F 62a_100011218213_100000763148 [0,2,0,0,0,0|2,0,0]=4 2985 B8R0.21 CSCSCS(=O)(=O)N 62a_100000741382_100011218213 [0,2,0,0,0,0|1,0,1]=4 2986 B8R0.21 CSCSCS(=O)(=O)N 62a_100011218213_100000741382 [0,2,0,0,0,0|1,0,1]=4 2987 B8R0.21 CSCSCS(=O)(=O)[O-] 62a_100009817235_100011218213 [0,2,0,0,0,0|1,0,1]=4 2988 B8R0.21 CSCSCS(=O)(=O)[O-] 62a_100011218213_100009817235 [0,2,0,0,0,0|1,0,1]=4 2989 B8R0.21 CSCSC[N+](C)(C)C 62a_100011218213_200000036245 [0,2,0,0,0,0|1,0,0]=3 2990 B8R0.21 CSCSC[N+](C)(C)C 62a_200000036245_100011218213 [0,2,0,0,0,0|1,0,0]=3 2991 B8R0.21 CSCSC[Si](C)(C)C 62a_100000037933_100011218213 [0,2,0,0,0,0|1,0,0]=3 2992 B8R0.21 CSCSC[Si](C)(C)C 62a_100011218213_100000037933 [0,2,0,0,0,0|1,0,0]=3 2993 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_100016990835_200025704644 [0,2,0,0,0,0|2,0,0]=4 2994 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_200025704644_100016990835 [0,2,0,0,0,0|2,0,0]=4 2995 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_100011219597_200025704644 [0,2,0,0,0,0|2,0,0]=4 2996 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_200025704644_100011219597 [0,2,0,0,0,0|2,0,0]=4 2997 B8R0.28 C=C(C)CSCC(=C)C 62a_100000748629_100000211660 [0,2,0,0,0,0|2,0,0]=4 2998 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,2,0,0,0,0|2,0,0]=4 2999 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,2,0,0,0,0|2,0,0]=4 3000 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,2,0,0,0,0|2,0,0]=4 3001 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,2,0,0,0,0|2,0,0]=4 3002 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,2,0,0,0,0|2,0,0]=4 3003 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,2,0,0,0,0|2,0,0]=4 3004 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,2,0,0,0,0|2,0,0]=4 3005 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,2,0,0,0,0|2,0,0]=4 3006 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,2,0,0,0,0|2,0,0]=4 3007 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,2,0,0,0,0|2,0,0]=4 3008 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,2,0,0,0,0|2,0,0]=4 3009 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,2,0,0,0,0|2,0,0]=4 3010 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,2,0,0,0,0|2,0,0]=4 3011 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,2,0,0,0,0|2,0,0]=4 3012 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,2,0,0,0,0|2,0,0]=4 3013 B8R0.22 CCCN(CC)CSC 2230a_100000226822_100011218213 [0,2,0,0,0,0|2,0,0]=4 3014 B8R0.22 CCCN(CC)CSC 269982a_100000226822_100011218213 [0,2,0,0,0,0|2,0,0]=4 3015 B8R0.22 COC(CSC)CSC 7a_200000036665_200000210301 [0,2,0,0,0,0|1,0,0]=3 3016 B8R0.22 CSCC(CSC)O[13CH3] 7a_200000036665_200025704644 [0,2,0,0,0,0|1,0,0]=3 3017 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 3018 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 3019 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,1,0,0|1,0,0]=3 3020 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,1,0,0|1,0,0]=3 3021 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 3022 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 3023 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,1,0,0|1,0,0]=3 3024 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,1,0,0|1,0,0]=3 3025 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|2,0,0]=4 3026 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|1,1,0]=4 3027 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|1,0,0]=3 3028 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 3029 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 3030 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|2,0,0]=4 3031 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 3032 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|2,0,0]=4 3033 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 3034 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [1,0,0,1,0,0|1,1,0]=4 3035 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [1,0,0,1,0,0|1,1,0]=4 3036 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [1,0,0,1,0,0|1,1,0]=4 3037 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [1,0,0,1,0,0|1,0,0]=3 3038 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [1,0,0,1,0,0|1,1,0]=4 3039 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|1,1,0]=4 3040 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|1,1,0]=4 3041 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|0,2,0]=4 3042 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|0,2,0]=4 3043 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|1,0,0]=3 3044 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|1,0,0]=3 3045 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|0,1,0]=3 3046 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|0,1,0]=3 3047 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [1,0,0,1,0,0|0,0,0]=2 3048 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [1,0,0,1,0,0|0,0,0]=2 3049 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|0,1,0]=3 3050 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|0,1,0]=3 3051 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [1,0,0,1,0,0|2,0,0]=4 3052 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 3053 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 3054 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|1,1,0]=4 3055 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|0,2,0]=4 3056 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|1,0,0]=3 3057 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|1,0,0]=3 3058 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|0,1,0]=3 3059 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|0,1,0]=3 3060 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [1,0,0,1,0,0|0,0,0]=2 3061 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [1,0,0,1,0,0|0,0,0]=2 3062 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|0,1,0]=3 3063 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|0,1,0]=3 3064 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 3065 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 3066 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 3067 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 3068 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|2,0,0]=4 3069 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 3070 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|2,0,0]=4 3071 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 3072 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|2,0,0]=4 3073 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [1,0,0,1,0,0|1,1,0]=4 3074 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [1,0,0,1,0,0|1,1,0]=4 3075 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [1,0,0,1,0,0|1,1,0]=4 3076 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,1,0]=4 3077 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,1,0]=4 3078 B6R1.6 COC1COC1 34a_100138415774_100009818527 [1,0,0,1,0,0|0,2,0]=4 3079 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [1,0,0,1,0,0|0,1,0]=3 3080 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|1,0,0]=3 3081 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|0,1,0]=3 3082 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 3083 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 3084 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [1,0,0,1,0,0|1,1,0]=4 3085 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,1,0]=4 3086 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [1,0,0,1,0,0|0,1,0]=3 3087 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|1,0,0]=3 3088 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|0,1,0]=3 3089 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,1,0,0|2,0,0]=4 3090 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 3091 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,1,0,0|2,0,0]=4 3092 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 3093 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,1,0,0|2,0,0]=4 3094 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,1,0,0|2,0,0]=4 3095 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,1,0,0|1,1,0]=4 3096 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,1,0,0|1,1,0]=4 3097 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,1,0,0|1,1,0]=4 3098 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,1,0,0|1,1,0]=4 3099 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|2,0,0]=4 3100 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|2,0,0]=4 3101 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|2,0,0]=4 3102 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|2,0,0]=4 3103 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|1,1,0]=4 3104 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|1,1,0]=4 3105 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|1,0,0]=3 3106 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 3107 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 3108 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,1,0,0|1,1,0]=4 3109 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,1,0,0|1,1,0]=4 3110 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,1,0,0|1,1,0]=4 3111 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|2,0,0]=4 3112 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|2,0,0]=4 3113 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|2,0,0]=4 3114 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|2,0,0]=4 3115 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|1,1,0]=4 3116 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|1,1,0]=4 3117 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|1,0,0]=3 3118 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,1,0,1,0,0|2,0,0]=4 3119 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,1,0,1,0,0|2,0,0]=4 3120 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,1,0,1,0,0|2,0,0]=4 3121 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,1,0,1,0,0|1,1,0]=4 3122 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|2,0,0]=4 3123 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|2,0,0]=4 3124 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,1,0,1,0,0|1,1,0]=4 3125 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [0,1,0,1,0,0|1,1,0]=4 3126 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [0,1,0,1,0,0|1,1,0]=4 3127 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|2,0,0]=4 3128 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|2,0,0]=4 3129 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|1,1,0]=4 3130 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|1,1,0]=4 3131 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,1,0,1,0,0|1,1,0]=4 3132 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,1,0,1,0,0|1,1,0]=4 3133 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [0,1,0,1,0,0|2,0,0]=4 3134 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,1,0,1,0,0|2,0,0]=4 3135 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,1,0,1,0,0|2,0,0]=4 3136 B8R1.8 CSCN1CCSC1 2230a_100011215254_100011218213 [0,1,0,1,0,0|1,0,0]=3 3137 B8R1.8 CSCN1CCSC1 269982a_100011215254_100011218213 [0,1,0,1,0,0|1,0,0]=3 3138 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,1,0,1,0,0|1,1,0]=4 3139 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|2,0,0]=4 3140 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|2,0,0]=4 3141 B8R1.8 FCSC1CCOC1 62a_100015361967_100000690089 [0,1,0,1,0,0|1,1,0]=4 3142 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|2,0,0]=4 3143 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|2,0,0]=4 3144 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|1,1,0]=4 3145 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|1,1,0]=4 3146 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,1,0,1,0,0|1,1,0]=4 3147 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,1,0,1,0,0|1,1,0]=4 3148 B8R1.9 CSCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218213 [0,1,0,1,0,0|2,0,0]=4 3149 B8R1.9 CSCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218213 [0,1,0,1,0,0|2,0,0]=4 3150 B8R1.9 CSCN[C@@H]1C[C@H]1F 34a_100025746932_100011218213 [0,1,0,1,0,0|2,0,0]=4 3151 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [0,1,0,1,0,0|1,1,0]=4 3152 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,1,0,1,0,0|2,0,0]=4 3153 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,1,0,1,0,0|1,1,0]=4 3154 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,1,0,1,0,0|2,0,0]=4 3155 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,1,0,1,0,0|2,0,0]=4 3156 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [0,1,0,1,0,0|1,1,0]=4 3157 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [0,1,0,1,0,0|1,1,0]=4 3158 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [0,1,0,1,0,0|1,1,0]=4 3159 B8R1.10 COCSC1COC1 62a_100000766300_100009818527 [0,1,0,1,0,0|0,2,0]=4 3160 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,1,0,1,0,0|2,0,0]=4 3161 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [0,1,0,1,0,0|2,0,0]=4 3162 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [0,1,0,1,0,0|2,0,0]=4 3163 B8R1.10 CSCNC1COC1 2230a_100016991112_100011218213 [0,1,0,1,0,0|1,1,0]=4 3164 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [0,1,0,1,0,0|1,1,0]=4 3165 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [0,1,0,1,0,0|1,0,0]=3 3166 B8R1.10 CSCSC1COC1 62a_100011218213_100009818527 [0,1,0,1,0,0|0,1,0]=3 3167 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [0,1,0,1,0,0|2,0,0]=4 3168 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [0,1,0,1,0,0|2,0,0]=4 3169 B8R1.10 FCSCC1COC1 62a_100010264016_100015361967 [0,1,0,1,0,0|1,1,0]=4 3170 B8R1.10 FCSCC1COC1 62a_100015361967_100010264016 [0,1,0,1,0,0|1,1,0]=4 3171 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|2,0,0]=4 3172 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|2,0,0]=4 3173 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|1,1,0]=4 3174 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|1,1,0]=4 3175 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|2,0,0]=4 3176 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 3177 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|2,0,0]=4 3178 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|2,0,0]=4 3179 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|1,1,0]=4 3180 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|1,1,0]=4 3181 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 3182 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|2,0,0]=4 3183 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [0,1,0,1,0,0|2,0,0]=4 3184 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [0,1,0,1,0,0|2,0,0]=4 3185 B8R1.36 C#CCSCC1CS1 62a_100000038162_100000031435 [0,1,0,1,0,0|1,0,1]=4 3186 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [0,1,0,1,0,0|2,0,0]=4 3187 B8R1.36 C=CCSCC1CS1 62a_100000031435_100000210623 [0,1,0,1,0,0|1,0,1]=4 3188 B8R1.36 C=CCSCC1CS1 62a_100000210623_100000031435 [0,1,0,1,0,0|1,0,1]=4 3189 B8R1.36 CC#CCSC1CC1 62a_100000748600_100000211595 [0,1,0,1,0,0|2,0,0]=4 3190 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [0,1,0,1,0,0|2,0,0]=4 3191 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [0,1,0,1,0,0|2,0,0]=4 3192 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [0,1,0,1,0,0|2,0,0]=4 3193 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [0,1,0,1,0,0|2,0,0]=4 3194 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,1,0,1,0,0|1,1,0]=4 3195 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,1,0,1,0,0|1,1,0]=4 3196 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,1,0,1,0,0|1,0,0]=3 3197 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,1,0,1,0,0|1,0,0]=3 3198 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,1,0,1,0,0|1,1,0]=4 3199 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,1,0,1,0,0|1,1,0]=4 3200 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [0,1,0,1,0,0|1,1,0]=4 3201 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,1,0,1,0,0|2,0,0]=4 3202 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,1,0,1,0,0|2,0,0]=4 3203 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [0,1,0,1,0,0|1,1,0]=4 3204 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [0,1,0,1,0,0|1,1,0]=4 3205 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [0,1,0,1,0,0|1,1,0]=4 3206 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [0,1,0,1,0,0|1,1,0]=4 3207 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [0,1,0,1,0,0|1,1,0]=4 3208 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [0,1,0,1,0,0|0,2,0]=4 3209 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [0,1,0,1,0,0|0,2,0]=4 3210 B8R1.36 COCSCC1CS1 62a_100000031435_100000766300 [0,1,0,1,0,0|0,1,0]=3 3211 B8R1.36 COCSCC1CS1 62a_100000766300_100000031435 [0,1,0,1,0,0|0,1,0]=3 3212 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [0,1,0,1,0,0|0,2,0]=4 3213 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [0,1,0,1,0,0|0,2,0]=4 3214 B8R1.36 CSCC#CC1CC1 62a_100009895102_200000210301 [0,1,0,1,0,0|2,0,0]=4 3215 B8R1.36 CSCC#CC1CC1 62a_200000210301_100009895102 [0,1,0,1,0,0|2,0,0]=4 3216 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,1,0,1,0,0|1,1,0]=4 3217 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,1,0,1,0,0|1,1,0]=4 3218 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [0,1,0,1,0,0|2,0,0]=4 3219 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [0,1,0,1,0,0|1,1,0]=4 3220 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [0,1,0,1,0,0|1,0,0]=3 3221 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [0,1,0,1,0,0|2,0,0]=4 3222 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [0,1,0,1,0,0|2,0,0]=4 3223 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [0,1,0,1,0,0|1,1,0]=4 3224 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [0,1,0,1,0,0|0,2,0]=4 3225 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [0,1,0,1,0,0|1,0,0]=3 3226 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [0,1,0,1,0,0|1,0,0]=3 3227 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [0,1,0,1,0,0|0,1,0]=3 3228 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [0,1,0,1,0,0|0,1,0]=3 3229 B8R1.36 CSCSCC1CS1 62a_100000031435_100011218213 [0,1,0,1,0,0|0,0,0]=2 3230 B8R1.36 CSCSCC1CS1 62a_100011218213_100000031435 [0,1,0,1,0,0|0,0,0]=2 3231 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [0,1,0,1,0,0|0,1,0]=3 3232 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [0,1,0,1,0,0|0,1,0]=3 3233 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [0,1,0,1,0,0|2,0,0]=4 3234 B8R1.36 FCCSCC1CS1 62a_100000031435_100011217306 [0,1,0,1,0,0|2,0,0]=4 3235 B8R1.36 FCCSCC1CS1 62a_100011217306_100000031435 [0,1,0,1,0,0|2,0,0]=4 3236 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [0,1,0,1,0,0|2,0,0]=4 3237 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [0,1,0,1,0,0|2,0,0]=4 3238 B8R1.36 FCSCCC1CO1 62a_100000732470_100015361967 [0,1,0,1,0,0|1,1,0]=4 3239 B8R1.36 FCSCCC1CO1 62a_100015361967_100000732470 [0,1,0,1,0,0|1,1,0]=4 3240 B8R1.36 N#CCSCC1CS1 62a_100000031435_100011215382 [0,1,0,1,0,0|2,0,0]=4 3241 B8R1.36 N#CCSCC1CS1 62a_100011215382_100000031435 [0,1,0,1,0,0|2,0,0]=4 3242 B8R1.36 N#CSCSC1CC1 62a_100000211825_100000211595 [0,1,0,1,0,0|1,0,1]=4 3243 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,1,0,1,0,0|2,0,0]=4 3244 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,1,0,1,0,0|2,0,0]=4 3245 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,1,0,1,0,0|2,0,0]=4 3246 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [0,1,0,1,0,0|2,0,0]=4 3247 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [0,1,0,1,0,0|2,0,0]=4 3248 B8R1.36 [13CH3]SCC#CC1CC1 62a_100009895102_200025704644 [0,1,0,1,0,0|2,0,0]=4 3249 B8R1.36 [13CH3]SCC#CC1CC1 62a_200025704644_100009895102 [0,1,0,1,0,0|2,0,0]=4 3250 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,1,0,1,0,0|1,1,0]=4 3251 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,1,0,1,0,0|1,1,0]=4 3252 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,1,0,0|2,0,0]=4 3253 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,1,0,0|2,0,0]=4 3254 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,1,0,1,0,0|2,0,0]=4 3255 B8R1.40 COC(C)SC1CC1 62a_100009879195_100000211595 [0,1,0,1,0,0|1,1,0]=4 3256 B8R1.41 CSCNC1(CC1)C 2230a_100000757604_100011218213 [0,1,0,1,0,0|2,0,0]=4 3257 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,1,0,0|2,0,0]=4 3258 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,1,0,0|2,0,0]=4 3259 B8R1.6 CSCN1CC(C1)C 2230a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 3260 B8R1.6 CSCN1CC(C1)C 269982a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 3261 B8R1.6 CSCN1CC(C1)C 34a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 3262 B8R1.6 CSCN1CC(C1)F 2230a_100000690557_100011218213 [0,1,0,1,0,0|2,0,0]=4 3263 B8R1.6 CSCN1CC(C1)F 269982a_100000690557_100011218213 [0,1,0,1,0,0|2,0,0]=4 3264 B8R1.6 CSCN1CC(C1)F 34a_100000690557_100011218213 [0,1,0,1,0,0|2,0,0]=4 3265 B8R1.6 CSCN1CC(C1)O 269982a_100000749847_100011218213 [0,1,0,1,0,0|2,0,0]=4 3266 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,1,0,0|2,0,0]=4 3267 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,1,0,0|2,0,0]=4 3268 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|2,0,0]=4 3269 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [0,1,0,1,0,0|2,0,0]=4 3270 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|2,0,0]=4 3271 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,1,0,1,0,0|2,0,0]=4 3272 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [0,1,0,1,0,0|2,0,0]=4 3273 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,1,0,1,0,0|2,0,0]=4 3274 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,1,0,1,0,0|2,0,0]=4 3275 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,1,0,1,0,0|2,0,0]=4 3276 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,1,0,1,0,0|2,0,0]=4 3277 B8R1.37 CSCN(C)C1CC1 2230a_100000226674_100011218213 [0,1,0,1,0,0|2,0,0]=4 3278 B8R1.37 CSCN(C)C1CC1 269982a_100000226674_100011218213 [0,1,0,1,0,0|2,0,0]=4 3279 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,1,0,1,0,0|2,0,0]=4 3280 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,1,0,1,0,0|2,0,0]=4 3281 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,1,0,1,0,0|2,0,0]=4 3282 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,1,0,1,0,0|2,0,0]=4 3283 B8R1.66 CC1(COC1)CS[13CH3] 62a_100009817586_200025704644 [0,1,0,1,0,0|1,1,0]=4 3284 B8R1.66 CC1(COC1)CS[13CH3] 62a_200025704644_100009817586 [0,1,0,1,0,0|1,1,0]=4 3285 B8R1.66 CC1(CSC1)CO[13CH3] 34a_100000732658_200025704644 [0,1,0,1,0,0|1,1,0]=4 3286 B8R1.66 CC1(CSC1)CO[13CH3] 7a_100000732658_200025704644 [0,1,0,1,0,0|1,1,0]=4 3287 B8R1.66 COCC1(CSC1)C 34a_100000732658_200000210301 [0,1,0,1,0,0|1,1,0]=4 3288 B8R1.66 COCC1(CSC1)C 7a_100000732658_200000210301 [0,1,0,1,0,0|1,1,0]=4 3289 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,1,0,1,0,0|2,0,0]=4 3290 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,1,0,1,0,0|2,0,0]=4 3291 B8R1.66 CSCC1(COC1)C 62a_100009817586_200000210301 [0,1,0,1,0,0|1,1,0]=4 3292 B8R1.66 CSCC1(COC1)C 62a_200000210301_100009817586 [0,1,0,1,0,0|1,1,0]=4