0 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.2 C#CCNCF 34a_100000212058_100015361967 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,0,0,0,0,0|2,0,0]=2 74 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,0,0,0,0,0|2,0,0]=2 75 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,0,0,0,0,0|2,0,0]=2 76 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,0,0,0,0,0|2,0,0]=2 77 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,0,0,0,0,0|2,0,0]=2 78 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,0,0,0,0,0|2,0,0]=2 79 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,0,0,0,0,0|2,0,0]=2 80 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,0,0,0,0,0|2,0,0]=2 81 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,0,0,0,0,0|2,0,0]=2 82 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,0,0,0,0,0|2,0,0]=2 85 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,0,0,0,0,0|2,0,0]=2 86 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,0,0,0,0,0|2,0,0]=2 87 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,0,0,0,0,0|2,0,0]=2 88 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,0,0,0,0,0|2,0,0]=2 89 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,0,0,0,0,0|2,0,1]=3 90 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,0,0,0,0,0|2,0,1]=3 91 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,0,0,0,0,0|2,0,1]=3 92 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,0,0,0,0,0|2,0,1]=3 93 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,0,0,0,0,0|2,0,1]=3 96 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,0,0,0,0,0|2,0,1]=3 97 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,0,0,0,0,0|1,0,0]=1 99 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,0,0,0,0,0|2,0,1]=3 101 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,0,0,0,0,0|1,0,2]=3 102 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,0,0,0,0,0|1,0,2]=3 103 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,0,0,0,0,0|1,0,2]=3 104 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,0,0,0,0,0|3,0,0]=3 105 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,0,0,0,0,0|3,0,0]=3 106 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,0,0,0,0,0|1,0,0]=1 107 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,0,0,0,0,0|2,0,1]=3 108 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,0,0,0,0,0|2,0,1]=3 109 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,0,0,0,0,0|1,0,2]=3 111 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,0,0,0,0,0|3,0,0]=3 112 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,0,0,0,0,0|3,0,0]=3 113 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,0,0,0,0,0|3,0,0]=3 114 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,0,0,0,0,0|3,0,0]=3 116 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,0,0,0,0,0|2,0,1]=3 117 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,0,0,0,0,0|2,0,1]=3 118 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,0,0,0,0,0|1,0,0]=1 119 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,0,0,0,0,0|1,0,0]=1 120 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,0,0,0,0,0|2,0,1]=3 121 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,0,0,0,0,0|2,0,1]=3 122 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,0,0,0,0,0|1,0,2]=3 123 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,0,0,0,0,0|1,0,2]=3 124 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,0,0,0,0,0|3,0,0]=3 125 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,0,0,0,0,0|3,0,0]=3 126 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,0,0,0,0,0|3,0,0]=3 127 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,0,0,0,0,0|3,0,0]=3 128 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,0,0,0,0,0|2,0,1]=3 129 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,0,0,0,0,0|2,0,1]=3 130 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,0,0,0,0,0|2,0,1]=3 131 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,0,0,0,0,0|2,0,1]=3 132 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,0,0,0,0,0|2,0,1]=3 133 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,0,0,0,0,0|2,0,1]=3 134 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,0,0,0,0,0|2,0,1]=3 135 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,0,0,0,0,0|1,0,2]=3 136 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,0,0,0,0,0|1,0,2]=3 137 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,0,0,0,0,0|1,0,2]=3 138 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,0,0,0,0,0|3,0,0]=3 139 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,0,0,0,0,0|3,0,0]=3 140 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,0,0,0,0,0|3,0,0]=3 141 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,0,0,0,0,0|3,0,0]=3 142 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,0,0,0,0,0|3,0,0]=3 143 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,0,0,0,0,0|3,0,0]=3 144 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,0,0,0,0,0|3,0,0]=3 145 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,0,0,0,0,0|3,0,0]=3 146 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,0,0,0,0,0|2,0,1]=3 147 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,0,0,0,0,0|2,0,1]=3 148 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,0,0,0,0,0|2,0,1]=3 149 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,0,0,0,0,0|2,0,1]=3 150 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,0,0,0,0,0|2,0,1]=3 151 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,0,0,0,0,0|1,0,2]=3 152 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,0,0,0,0,0|3,0,0]=3 153 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,0,0,0,0,0|3,0,0]=3 154 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,0,0,0,0,0|3,0,0]=3 155 B5R0.2 COCCON 34a_100000700252_200000210301 [0,0,0,0,0,0|3,0,0]=3 156 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,0,0,0,0,0|3,0,0]=3 157 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,0,0,0,0,0|3,0,0]=3 158 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,0,0,0,0,0|3,0,0]=3 159 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,0,0,0,0,0|3,0,0]=3 160 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,0,0,0,0,0|3,0,0]=3 161 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,0,0,0,0,0|3,0,0]=3 162 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,0,0,0,0,0|3,0,0]=3 164 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,0,0,0,0,0|3,0,1]=4 165 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,0,0,0,0,0|2,0,1]=3 167 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,0,0,0,0,0|2,0,1]=3 168 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,0,0,0,0,0|2,0,1]=3 169 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,0,0,0,0,0|2,0,1]=3 170 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,0,0,0,0,0|1,0,2]=3 171 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,0,0,0,0,0|1,0,2]=3 172 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,0,0,0,0,0|3,0,0]=3 173 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,0,0,0,0,0|3,0,0]=3 174 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,0,0,0,0,0|3,0,0]=3 175 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,0,0,0,0,0|3,0,0]=3 176 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,0,0,0,0,0|3,0,0]=3 177 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,0,0,0,0,0|3,0,0]=3 178 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,0,0,0,0,0|3,0,0]=3 179 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,0,0,0,0,0|3,0,1]=4 180 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,0,0,0,0,0|3,0,1]=4 181 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,0,0,0,0,0|3,0,1]=4 182 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,0,0,0,0,0|3,0,1]=4 183 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,0,0,0,0,0|3,0,1]=4 184 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,0,0,0,0,0|3,0,1]=4 185 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,0,0,0,0,0|3,0,1]=4 186 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,0,0,0,0,0|3,0,1]=4 187 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [0,0,0,0,0,0|3,0,1]=4 188 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [0,0,0,0,0,0|3,0,1]=4 189 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,0,0,0,0,0|3,0,1]=4 190 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,0,0,0,0,0|2,0,0]=2 191 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,0,0,0,0,0|2,0,0]=2 192 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,0,0,0,0,0|2,0,2]=4 193 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,0,0,0,0,0|2,0,2]=4 194 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,0,0,0,0,0|2,0,2]=4 195 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,0,0,0,0,0|2,0,1]=3 196 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,0,0,0,0,0|2,0,1]=3 197 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,0,0,0,0,0|2,0,1]=3 198 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,0,0,0,0,0|2,0,1]=3 199 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,0,0,0,0,0|2,0,1]=3 200 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,0,0,0,0,0|2,0,1]=3 201 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,0,0,0,0,0|3,0,0]=3 202 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,0,0,0,0,0|2,0,1]=3 203 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,0,0,0,0,0|2,0,1]=3 204 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,0,0,0,0,0|2,0,1]=3 205 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,0,0,0,0,0|2,0,1]=3 206 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,0,0,0,0,0|1,0,2]=3 207 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,0,0,0,0,0|1,0,2]=3 208 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,0,0,0,0,0|3,0,1]=4 209 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,0,0,0,0,0|3,0,1]=4 210 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|1,0,2]=4 211 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|1,0,2]=4 212 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|1,0,2]=4 213 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|1,0,2]=4 214 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|1,0,2]=4 215 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|1,0,2]=4 216 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|1,0,2]=4 217 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|1,0,2]=4 218 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|1,0,2]=4 219 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|1,0,2]=4 220 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|1,0,1]=3 221 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|1,0,1]=3 222 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|1,0,1]=3 223 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|1,0,1]=3 224 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|1,0,1]=3 225 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|1,0,1]=3 226 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|1,0,1]=3 227 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|1,0,1]=3 228 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|1,0,1]=3 229 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|1,0,1]=3 230 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|1,0,1]=3 231 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|1,0,1]=3 232 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|1,0,1]=3 233 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|1,0,1]=3 234 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|1,0,1]=3 235 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|1,0,1]=3 236 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|1,0,1]=3 237 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|1,0,1]=3 238 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|1,0,1]=3 239 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|1,0,1]=3 240 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|1,0,1]=3 241 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|1,0,1]=3 242 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|1,0,1]=3 243 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|1,0,1]=3 244 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,0]=3 245 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|1,0,1]=3 246 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,0]=3 247 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,0]=3 248 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 251 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,0]=2 252 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 253 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,0]=3 254 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,0]=3 255 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,0]=3 256 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,0]=3 257 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,1]=3 258 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 259 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,1]=3 260 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,1]=3 261 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 262 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|2,0,1]=4 263 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|2,0,1]=4 264 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|2,0,1]=4 265 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,0]=2 266 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,0]=3 268 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,0]=3 269 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,1]=3 270 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|2,0,1]=4 271 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|2,0,1]=4 272 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|2,0,1]=4 274 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,0]=2 278 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,0]=2 279 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,0]=3 280 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,0]=3 281 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,1]=3 282 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,1]=3 283 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|2,0,1]=4 284 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,0,0,0,0,0|3,0,0]=4 288 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,1]=3 290 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,1]=3 291 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,0]=3 292 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,0,1]=4 295 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,0]=2 296 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,0]=2 297 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,0]=3 298 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,0]=3 299 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,1]=3 300 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,1]=3 301 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|1,0,2]=4 302 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|1,0,1]=3 324 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,1,0,0,0,0|3,0,0]=4 333 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|2,0,0]=3 334 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,1,0,0,0,0|3,0,0]=4 335 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|2,0,0]=3 336 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|2,0,0]=3 337 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|2,0,0]=3 339 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|2,0,0]=3 340 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|2,0,0]=3 341 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|2,0,0]=3 342 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|1,0,1]=3 344 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|1,0,1]=3 345 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|2,0,0]=3 352 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 355 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|3,0,0]=4 356 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,1,0,0,0,0|2,0,1]=4 363 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,1,0,0,0,0|2,0,1]=4 364 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|1,0,2]=4 366 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|1,0,2]=4 367 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|1,0,2]=4 370 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|1,0,2]=4 371 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|1,0,2]=4 372 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|1,0,2]=4 373 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,0,0,0,0|1,0,2]=4 374 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,0,0,0,0|1,0,2]=4 375 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|1,0,2]=4 376 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|0,0,3]=4 377 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|0,0,3]=4 378 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 389 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|2,0,0]=3 390 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|2,0,0]=3 391 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 392 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|2,0,0]=3 393 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,0,1]=4 399 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,0,1]=4 400 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,0,1]=4 401 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|2,0,0]=3 402 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|2,0,0]=3 403 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|2,0,0]=3 404 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|2,0,0]=3 406 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|2,0,0]=3 407 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|2,0,0]=3 408 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|2,0,0]=3 409 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|2,0,0]=3 410 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|2,0,0]=3 411 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|1,0,2]=4 412 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|1,0,2]=4 413 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|1,0,2]=4 414 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|0,0,3]=4 415 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 418 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,0]=3 420 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,0]=3 422 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,0]=3 423 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 424 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,0]=3 425 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|2,0,0]=3 426 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|2,0,0]=3 427 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|2,0,0]=3 429 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|2,0,0]=3 430 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|2,0,0]=3 432 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|2,0,0]=3 433 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|2,0,0]=3 434 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|2,0,1]=4 440 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|2,0,1]=4 441 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 442 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 443 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,1,0,0,0,0|2,0,1]=4 444 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|1,0,0]=2 447 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|1,0,0]=2 448 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|1,0,2]=4 451 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|1,0,2]=4 452 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|1,0,2]=4 453 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|1,0,2]=4 454 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|1,0,2]=4 455 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|1,0,2]=4 456 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 457 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 458 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 459 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 460 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|1,0,2]=4 461 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|1,0,2]=4 462 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,1,0,0,0,0|2,0,1]=4 464 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|1,0,2]=4 467 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|1,0,2]=4 468 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|1,0,2]=4 475 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,1,0,0,0,0|2,0,1]=4 476 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,1,0,0,0,0|2,0,1]=4 477 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|2,0,1]=4 478 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|2,0,1]=4 479 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|1,0,2]=4 480 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|3,0,0]=4 481 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|3,0,0]=4 482 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,1,0,0,0,0|2,0,1]=4 484 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|1,0,2]=4 485 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|1,0,2]=4 486 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 487 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|2,0,0]=3 488 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 489 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|2,0,0]=3 490 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|2,0,0]=3 491 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|2,0,0]=3 492 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|2,0,0]=3 493 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|2,0,0]=3 494 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|2,0,0]=3 495 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|2,0,0]=3 496 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 497 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|1,0,2]=4 499 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|1,0,2]=4 500 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|1,0,2]=4 501 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 502 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|3,0,0]=4 503 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|3,0,0]=4 504 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|3,0,0]=4 505 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|3,0,0]=4 506 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|1,0,2]=4 507 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|1,0,2]=4 508 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|1,0,2]=4 512 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|1,0,2]=4 513 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|3,0,0]=4 514 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|1,0,2]=4 515 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|2,0,1]=4 516 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|2,0,1]=4 517 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|2,0,1]=4 518 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|1,0,2]=4 519 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|1,0,2]=4 520 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|1,0,2]=4 521 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|1,0,2]=4 522 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 524 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 525 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|3,0,0]=4 526 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|1,0,2]=4 528 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|3,0,0]=4 529 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,1]=4 530 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|3,0,0]=4 531 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|3,0,0]=4 532 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|3,0,0]=4 533 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|3,0,0]=4 534 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|3,0,0]=4 535 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|3,0,0]=4 536 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|2,0,1]=4 537 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|1,0,2]=4 538 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|1,0,2]=4 539 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|3,0,0]=4 540 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|3,0,0]=4 542 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|1,0,2]=4 544 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|3,0,0]=4 546 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|1,0,2]=4 549 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|1,0,2]=4 550 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|1,0,2]=4 551 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|1,0,2]=4 552 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|1,0,2]=4 553 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|1,0,2]=4 554 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|2,0,1]=4 556 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|1,0,2]=4 557 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|1,0,2]=4 558 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,1,0,0,0,0|2,0,1]=4 559 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|1,0,2]=4 560 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|1,0,2]=4 561 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 562 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 563 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|1,0,2]=4 564 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|1,0,2]=4 565 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,1]=4 567 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|1,0,2]=4 569 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|2,0,1]=4 570 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|1,0,2]=4 572 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|1,0,2]=4 573 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|0,0,2]=3 574 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|0,0,2]=3 575 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|0,0,2]=3 576 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 579 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 580 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 581 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|1,0,2]=4 582 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,1,0,0,0,0|2,0,1]=4 587 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,1,0,0,0,0|2,0,1]=4 588 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|0,0,2]=3 589 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 593 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|2,0,0]=3 594 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|2,0,0]=3 596 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|2,0,0]=3 597 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|2,0,0]=3 598 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|2,0,0]=3 599 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|2,0,0]=3 600 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|2,0,0]=3 602 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|2,0,0]=3 603 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|2,0,0]=3 604 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|3,0,0]=4 606 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|3,0,0]=4 609 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|3,0,0]=4 610 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,1,0,0,0,0|2,0,0]=3 611 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,1,0,0,0,0|2,0,0]=3 612 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,1,0,0,0,0|3,0,0]=4 614 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,0,0,0,0|2,0,0]=3 615 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,1,0,0,0,0|3,0,0]=4 617 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,1,0,0,0,0|3,0,0]=4 618 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|0,0,2]=3 619 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|0,0,2]=3 620 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|0,0,2]=3 621 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|2,0,0]=3 622 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|2,0,0]=3 623 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|2,0,0]=3 624 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|2,0,0]=3 625 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|2,0,0]=3 626 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|2,0,0]=3 627 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|1,0,2]=4 628 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|1,0,2]=4 629 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|1,0,2]=4 630 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|2,0,0]=3 632 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|2,0,0]=3 633 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|2,0,0]=3 634 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|2,0,0]=3 637 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|0,0,2]=3 638 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|2,0,1]=4 639 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|2,0,1]=4 640 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|2,0,1]=4 641 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|2,0,1]=4 642 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|1,0,2]=4 643 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|1,0,1]=3 644 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|1,0,1]=3 645 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|1,0,0]=2 646 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,0,0]=2 647 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,0]=2 648 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,0]=2 649 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,0,0]=2 650 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,0,0]=2 651 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|2,0,0]=3 652 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|2,0,1]=4 653 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|2,0,1]=4 654 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|2,0,0]=3 655 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|2,0,0]=3 656 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|2,0,0]=3 657 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|2,0,0]=3 658 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|2,0,0]=3 659 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|2,0,0]=3 660 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,0,0]=3 661 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,0,0]=3 662 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|2,0,0]=3 663 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 664 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|2,0,0]=3 665 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|2,0,0]=3 666 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|2,0,0]=3 667 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|2,0,0]=3 668 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|2,0,1]=4 669 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|2,0,1]=4 670 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|2,0,1]=4 671 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|2,0,1]=4 672 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,1,0,0,0,0|2,0,1]=4 673 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|1,0,0]=2 674 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|1,0,0]=2 675 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|2,0,1]=4 676 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|2,0,1]=4 677 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|2,0,1]=4 678 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|1,0,2]=4 679 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|1,0,2]=4 680 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|1,0,2]=4 681 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|1,0,2]=4 682 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|1,0,0]=2 683 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|2,0,1]=4 684 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|2,0,1]=4 685 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|2,0,1]=4 686 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|1,0,2]=4 687 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|3,0,0]=4 689 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,1,0,0,0,0|2,0,1]=4 690 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,1,0,0,0,0|2,0,1]=4 691 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|1,0,0]=2 692 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|1,0,0]=2 693 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|2,0,1]=4 694 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|1,0,2]=4 696 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|1,0,2]=4 697 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,1,0,0,0,0|2,0,1]=4 698 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,0,0,0,0|2,0,0]=3 699 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,0,0,0,0|2,0,0]=3 700 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,0,0,0,0|2,0,0]=3 701 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 702 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,0,0,0,0|2,0,1]=4 703 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|0,0,2]=3 705 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|0,0,2]=3 706 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|0,0,2]=3 707 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|2,0,1]=4 708 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|2,0,1]=4 709 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,1,0,0,0,0|3,0,0]=4 710 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|0,0,2]=3 711 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|0,0,2]=3 712 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|0,0,2]=3 713 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|0,0,2]=3 714 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|0,0,0]=1 715 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|0,0,0]=1 716 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|0,0,0]=1 717 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|2,0,0]=3 718 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|2,0,0]=3 719 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|2,0,0]=3 720 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|2,0,0]=3 721 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|2,0,0]=3 722 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|2,0,0]=3 723 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 724 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 725 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|1,0,0]=2 726 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|1,0,0]=2 727 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 728 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|2,0,1]=4 729 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|2,0,1]=4 732 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|2,0,1]=4 733 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|1,0,0]=2 734 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|1,0,0]=2 735 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|1,0,0]=2 736 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 737 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|2,0,1]=4 738 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|2,0,1]=4 739 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|2,0,1]=4 740 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,0,0,0,0|1,0,2]=4 741 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,0,0,0,0|1,0,2]=4 742 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,0,0,0,0|1,0,2]=4 743 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,1,0,0,0,0|2,0,1]=4 744 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,1,0,0,0,0|2,0,1]=4 745 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,0,0,0,0|1,0,2]=4 746 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|2,0,0]=3 747 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|1,0,0]=2 748 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|1,0,0]=2 749 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|1,0,0]=2 750 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|1,0,0]=2 751 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|1,0,0]=2 752 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 753 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|2,0,1]=4 754 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|2,0,1]=4 755 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,0,0,0,0|2,0,1]=4 756 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,0,0,0,0|1,0,2]=4 757 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,1,0,0,0,0|2,0,1]=4 759 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|3,0,0]=4 760 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 762 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,0,0,0,0|1,0,2]=4 763 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,1,0,0,0,0|2,0,0]=3 764 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|1,0,0]=2 765 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|1,0,0]=2 766 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|1,0,0]=2 767 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|1,0,0]=2 768 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|1,0,0]=2 769 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|1,0,0]=2 770 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|2,0,1]=4 771 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|2,0,1]=4 772 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,0,0,0,0|1,0,2]=4 773 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,0,0,0,0|1,0,2]=4 774 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,1,0,0,0,0|2,0,1]=4 775 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,1,0,0,0,0|2,0,1]=4 776 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,0,0,0,0|1,0,2]=4 777 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,0,0,0,0|1,0,2]=4 778 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,1,0,0,0,0|2,0,0]=3 779 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,1,0,0,0,0|2,0,1]=4 780 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 781 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 782 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 783 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 784 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|1,0,2]=4 785 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|1,0,2]=4 786 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|1,0,2]=4 787 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|1,0,2]=4 788 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,0,0,0,0|3,0,0]=4 789 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,1,0,0,0,0|2,0,1]=4 790 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|1,0,2]=4 791 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|1,0,2]=4 792 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 793 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|2,0,1]=4 794 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|2,0,1]=4 795 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 796 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|1,0,0]=2 797 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|1,0,0]=2 798 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|1,0,0]=2 799 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|1,0,0]=2 800 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|2,0,0]=3 801 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|2,0,0]=3 802 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|2,0,0]=3 803 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|2,0,0]=3 804 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,0,0,0,0|2,0,0]=3 805 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,0,0,0,0|2,0,0]=3 806 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,0,0,0,0|2,0,0]=3 807 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,0,0,0,0|2,0,0]=3 808 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,0,0,0,0|3,0,0]=4 809 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|2,0,0]=3 810 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|3,0,0]=4 811 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|3,0,0]=4 812 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,0,0,0,0|2,0,0]=3 813 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,0,2]=4 814 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,0,2]=4 815 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|2,0,1]=4 816 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|2,0,1]=4 817 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,0]=2 818 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,0]=2 819 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,0]=2 820 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,0]=2 821 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|1,0,0]=2 822 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|1,0,0]=2 823 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|1,0,0]=2 824 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,0]=2 825 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|2,0,0]=3 826 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|2,0,0]=3 827 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|2,0,0]=3 828 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|2,0,0]=3 830 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,1,0,0,0,0|2,0,1]=4 831 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|3,0,0]=4 832 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|3,0,0]=4 833 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|3,0,0]=4 834 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|3,0,0]=4 835 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|3,0,0]=4 836 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|3,0,0]=4 837 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|2,0,0]=3 838 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|3,0,0]=4 839 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,0,0]=3 840 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|3,0,0]=4 841 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|3,0,0]=4 842 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|3,0,0]=4 843 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|2,0,1]=4 844 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|2,0,1]=4 845 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,0,0]=2 846 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,0,0]=2 847 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,0,0]=2 848 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,0,0]=2 849 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|1,0,0]=2 850 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|1,0,0]=2 851 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,0,0]=2 852 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|2,0,0]=3 853 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|2,0,0]=3 854 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,0,0,0,0|2,0,0]=3 855 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,0,0,0,0|2,0,0]=3 856 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,0,0,0,0|3,0,0]=4 857 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,0,0,0,0|3,0,0]=4 858 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,0,0,0,0|3,0,0]=4 859 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,0,0,0,0|3,0,0]=4 860 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,0,0,0,0|3,0,0]=4 861 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,0,0,0,0|3,0,0]=4 862 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,0,0,0,0|3,0,0]=4 863 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|3,0,0]=4 864 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|3,0,0]=4 865 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,0,0]=3 866 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,0,0]=3 867 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|3,0,0]=4 868 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|3,0,0]=4 869 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|3,0,0]=4 870 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|3,0,0]=4 871 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|3,0,0]=4 872 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 873 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,1,0,0,0,0|2,0,1]=4 875 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,0,0,0,0|2,0,1]=4 876 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,0,0,0,0|2,0,1]=4 877 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|2,0,0]=3 878 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|2,0,0]=3 879 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,0,0,0,0|2,0,0]=3 880 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|2,0,0]=3 881 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|2,0,0]=3 882 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,1,0,0,0,0|3,0,0]=4 883 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|1,0,2]=4 884 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|1,0,1]=3 885 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,0,0,0,0|2,0,0]=3 886 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|1,0,0]=2 887 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|1,0,0]=2 888 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,1,0,0,0,0|2,0,1]=4 889 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|1,0,0]=2 890 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|1,0,0]=2 891 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,1,0,0,0,0|1,0,1]=3 892 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,1,0,0,0,0|1,0,1]=3 893 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,1,0,0,0,0|1,0,1]=3 894 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,1,0,0,0,0|1,0,1]=3 895 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,1,0,0,0,0|1,0,1]=3 896 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,1,0,0,0,0|1,0,1]=3 897 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,1,0,0,0,0|1,0,1]=3 898 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,1,0,0,0,0|1,0,1]=3 899 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,1,0,0,0,0|1,0,1]=3 900 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,1,0,0,0,0|1,0,1]=3 901 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,1,0,0,0,0|1,0,1]=3 902 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,1,0,0,0,0|1,0,1]=3 903 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,1,0,0,0,0|1,0,1]=3 904 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,1,0,0,0,0|1,0,1]=3 905 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,1,0,0,0,0|1,0,1]=3 906 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,1,0,0,0,0|1,0,1]=3 907 B6R0.6 C#CCCNCF 34a_100000755551_100015361967 [0,1,0,0,0,0|2,0,1]=4 908 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,1,0,0,0,0|1,0,1]=3 909 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,1,0,0,0,0|1,0,1]=3 910 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,1,0,0,0,0|2,0,1]=4 911 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,1,0,0,0,0|1,0,1]=3 912 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,1,0,0,0,0|1,0,1]=3 913 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [0,1,0,0,0,0|2,0,1]=4 914 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [0,1,0,0,0,0|2,0,1]=4 915 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [0,1,0,0,0,0|1,0,2]=4 916 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [0,1,0,0,0,0|1,0,2]=4 917 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,1,0,0,0,0|0,0,2]=3 918 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,1,0,0,0,0|1,0,1]=3 919 B6R0.6 C#CCNCCF 34a_100000212058_100011217306 [0,1,0,0,0,0|2,0,1]=4 920 B6R0.6 C#CCNCCF 34a_100000724931_100000184674 [0,1,0,0,0,0|2,0,1]=4 921 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,1,0,0,0,0|2,0,1]=4 922 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,1,0,0,0,0|2,0,1]=4 923 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,1,0,0,0,0|2,0,1]=4 924 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,1,0,0,0,0|2,0,1]=4 925 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [0,1,0,0,0,0|1,0,2]=4 926 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [0,1,0,0,0,0|1,0,2]=4 927 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,1,0,0,0,0|0,0,2]=3 928 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,1,0,0,0,0|2,0,1]=4 929 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,1,0,0,0,0|1,0,1]=3 930 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,1,0,0,0,0|1,0,1]=3 931 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,1,0,0,0,0|2,0,1]=4 932 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,1,0,0,0,0|2,0,1]=4 933 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,1,0,0,0,0|2,0,1]=4 934 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,1,0,0,0,0|2,0,1]=4 935 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [0,1,0,0,0,0|1,0,2]=4 936 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,1,0,0,0,0|0,0,2]=3 937 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,1,0,0,0,0|1,0,1]=3 938 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,1,0,0,0,0|2,0,1]=4 939 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,1,0,0,0,0|2,0,1]=4 940 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,1,0,0,0,0|2,0,1]=4 941 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,1,0,0,0,0|2,0,1]=4 942 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,1,0,0,0,0|1,0,1]=3 943 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,1,0,0,0,0|1,0,1]=3 944 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,1,0,0,0,0|1,0,1]=3 945 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,1,0,0,0,0|1,0,1]=3 946 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,1,0,0,0,0|2,0,1]=4 947 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,1,0,0,0,0|1,0,1]=3 948 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,1,0,0,0,0|1,0,1]=3 949 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,1,0,0,0,0|2,0,1]=4 950 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,1,0,0,0,0|2,0,1]=4 951 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,1,0,0,0,0|1,0,0]=2 952 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,1,0,0,0,0|1,0,0]=2 953 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,1,0,0,0,0|1,0,0]=2 954 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,1,0,0,0,0|1,0,0]=2 955 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,1,0,0,0,0|1,0,0]=2 956 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,1,0,0,0,0|1,0,0]=2 957 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,1,0,0,0,0|1,0,0]=2 958 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,1,0,0,0,0|1,0,0]=2 959 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,1,0,0,0,0|1,0,0]=2 960 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,1,0,0,0,0|1,0,0]=2 961 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,1,0,0,0,0|1,0,0]=2 962 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,1,0,0,0,0|1,0,0]=2 963 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,1,0,0,0,0|1,0,0]=2 964 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,1,0,0,0,0|1,0,0]=2 965 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,1,0,0,0,0|1,0,0]=2 966 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,1,0,0,0,0|1,0,0]=2 967 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,1,0,0,0,0|1,0,0]=2 968 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,1,0,0,0,0|1,0,0]=2 969 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,1,0,0,0,0|1,0,0]=2 970 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,1,0,0,0,0|1,0,0]=2 971 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,1,0,0,0,0|2,0,0]=3 972 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,1,0,0,0,0|1,0,0]=2 973 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,1,0,0,0,0|1,0,0]=2 974 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,1,0,0,0,0|2,0,0]=3 975 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,1,0,0,0,0|2,0,0]=3 976 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [0,1,0,0,0,0|2,0,1]=4 977 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [0,1,0,0,0,0|1,0,2]=4 978 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,1,0,0,0,0|0,0,2]=3 979 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,1,0,0,0,0|1,0,0]=2 980 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,1,0,0,0,0|2,0,0]=3 981 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,1,0,0,0,0|2,0,0]=3 982 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,1,0,0,0,0|2,0,0]=3 983 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,1,0,0,0,0|2,0,0]=3 984 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,1,0,0,0,0|2,0,0]=3 985 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,1,0,0,0,0|2,0,0]=3 986 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,1,0,0,0,0|2,0,0]=3 987 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [0,1,0,0,0,0|1,0,2]=4 988 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,1,0,0,0,0|0,0,2]=3 989 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,1,0,0,0,0|2,0,0]=3 990 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,1,0,0,0,0|1,0,0]=2 991 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,1,0,0,0,0|1,0,0]=2 992 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,1,0,0,0,0|2,0,0]=3 993 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,1,0,0,0,0|2,0,0]=3 994 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,1,0,0,0,0|2,0,0]=3 995 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,1,0,0,0,0|2,0,0]=3 996 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [0,1,0,0,0,0|2,0,1]=4 997 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [0,1,0,0,0,0|2,0,1]=4 998 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,1,0,0,0,0|1,0,2]=4 999 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,1,0,0,0,0|0,0,2]=3 1000 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,1,0,0,0,0|0,0,2]=3 1001 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,1,0,0,0,0|1,0,0]=2 1002 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,1,0,0,0,0|1,0,0]=2 1003 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,1,0,0,0,0|2,0,0]=3 1004 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,1,0,0,0,0|2,0,0]=3 1005 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,1,0,0,0,0|2,0,0]=3 1006 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,1,0,0,0,0|2,0,0]=3 1007 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,1,0,0,0,0|2,0,0]=3 1008 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,1,0,0,0,0|2,0,0]=3 1009 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,1,0,0,0,0|2,0,0]=3 1010 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,1,0,0,0,0|2,0,0]=3 1011 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,1,0,0,0,0|2,0,0]=3 1012 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,1,0,0,0,0|2,0,0]=3 1013 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,1,0,0,0,0|2,0,0]=3 1014 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,1,0,0,0,0|2,0,0]=3 1015 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,1,0,0,0,0|2,0,0]=3 1016 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,1,0,0,0,0|2,0,0]=3 1017 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,1,0,0,0,0|2,0,0]=3 1018 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,1,0,0,0,0|2,0,0]=3 1019 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,1,0,0,0,0|2,0,0]=3 1020 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,1,0,0,0,0|2,0,0]=3 1021 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,1,0,0,0,0|1,0,2]=4 1022 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,1,0,0,0,0|1,0,2]=4 1023 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,1,0,0,0,0|1,0,2]=4 1024 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,1,0,0,0,0|1,0,2]=4 1025 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,1,0,0,0,0|1,0,2]=4 1026 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,1,0,0,0,0|1,0,2]=4 1027 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,1,0,0,0,0|1,0,2]=4 1028 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,1,0,0,0,0|1,0,2]=4 1029 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,1,0,0,0,0|1,0,2]=4 1030 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,1,0,0,0,0|2,0,1]=4 1031 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,1,0,0,0,0|2,0,1]=4 1032 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,1,0,0,0,0|2,0,1]=4 1033 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,1,0,0,0,0|2,0,1]=4 1034 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,1,0,0,0,0|2,0,1]=4 1035 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,1,0,0,0,0|2,0,1]=4 1036 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,1,0,0,0,0|2,0,1]=4 1037 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,1,0,0,0,0|2,0,1]=4 1038 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,1,0,0,0,0|2,0,1]=4 1039 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,1,0,0,0,0|2,0,1]=4 1040 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,0,0,0,0|1,0,1]=3 1041 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,1,0,0,0,0|1,0,1]=3 1042 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,1,0,0,0,0|1,0,1]=3 1043 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,1,0,0,0,0|1,0,1]=3 1044 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,1,0,0,0,0|2,0,1]=4 1045 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,1,0,0,0,0|2,0,1]=4 1046 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,1,0,0,0,0|2,0,0]=3 1047 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,1,0,0,0,0|3,0,0]=4 1048 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,1,0,0,0,0|2,0,1]=4 1049 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,1,0,0,0,0|2,0,1]=4 1050 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,1,0,0,0,0|2,0,1]=4 1051 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,1,0,0,0,0|2,0,1]=4 1052 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,1,0,0,0,0|2,0,1]=4 1053 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,1,0,0,0,0|2,0,1]=4 1054 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,1,0,0,0,0|2,0,1]=4 1055 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,1,0,0,0,0|2,0,1]=4 1056 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,1,0,0,0,0|2,0,1]=4 1057 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,1,0,0,0,0|2,0,1]=4 1058 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,1,0,0,0,0|3,0,0]=4 1059 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,1,0,0,0,0|1,0,1]=3 1060 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,1,0,0,0,0|1,0,1]=3 1061 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,1,0,0,0,0|1,0,1]=3 1062 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,1,0,0,0,0|1,0,1]=3 1063 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,1,0,0,0,0|1,0,1]=3 1064 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,1,0,0,0,0|0,0,2]=3 1065 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,1,0,0,0,0|0,0,2]=3 1066 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,1,0,0,0,0|0,0,2]=3 1067 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,1,0,0,0,0|0,0,2]=3 1068 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,1,0,0,0,0|0,0,2]=3 1069 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,1,0,0,0,0|0,1,1]=3 1070 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,1,0,0,0,0|0,1,1]=3 1071 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,1,0,0,0,0|0,1,1]=3 1072 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,1,0,0,0,0|0,1,1]=3 1073 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,1,0,0,0,0|1,0,1]=3 1074 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,1,0,0,0,0|1,0,1]=3 1075 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,1,0,0,0,0|1,0,1]=3 1076 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,1,0,0,0,0|1,0,1]=3 1077 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,1,0,0,0,0|1,0,1]=3 1078 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,1,0,0,0,0|1,0,1]=3 1079 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,1,0,0,0,0|1,0,1]=3 1080 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,1,0,0,0,0|1,0,1]=3 1081 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,1,0,0,0,0|1,0,1]=3 1082 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,1,0,0,0,0|1,0,1]=3 1083 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,1,0,0,0,0|1,0,1]=3 1084 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,1,0,0,0,0|1,0,1]=3 1085 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,1,0,0,0,0|1,0,1]=3 1086 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,1,0,0,0,0|1,0,1]=3 1087 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,1,0,0,0,0|0,0,2]=3 1088 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,1,0,0,0,0|0,0,2]=3 1089 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,1,0,0,0,0|0,0,0]=1 1090 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,1,0,0,0,0|1,0,1]=3 1091 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,1,0,0,0,0|1,0,1]=3 1092 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,1,0,0,0,0|1,0,1]=3 1093 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,1,0,0,0,0|1,0,1]=3 1094 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,1,0,0,0,0|0,0,2]=3 1095 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,1,0,0,0,0|2,0,0]=3 1096 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,1,0,0,0,0|1,0,1]=3 1097 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,1,0,0,0,0|1,0,1]=3 1098 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,1,0,0,0,0|0,0,0]=1 1099 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,1,0,0,0,0|0,0,0]=1 1100 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,1,0,0,0,0|1,0,1]=3 1101 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,1,0,0,0,0|1,0,1]=3 1102 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,1,0,0,0,0|1,0,1]=3 1103 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,1,0,0,0,0|0,0,2]=3 1104 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,1,0,0,0,0|0,0,2]=3 1105 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,1,0,0,0,0|2,0,0]=3 1106 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,1,0,0,0,0|2,0,0]=3 1107 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,1,0,0,0,0|2,0,0]=3 1108 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,1,0,0,0,0|2,0,0]=3 1109 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,1,0,0,0,0|1,0,1]=3 1110 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,1,0,0,0,0|1,0,1]=3 1111 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,1,0,0,0,0|1,0,1]=3 1112 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,1,0,0,0,0|1,0,1]=3 1113 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,1,0,0,0,0|0,0,2]=3 1114 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,1,0,0,0,0|2,0,0]=3 1115 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,1,0,0,0,0|2,0,0]=3 1116 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,1,0,0,0,0|2,0,0]=3 1117 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,1,0,0,0,0|2,0,0]=3 1118 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,1,0,0,0,0|1,0,1]=3 1119 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,1,0,0,0,0|1,0,1]=3 1120 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,1,0,0,0,0|1,0,1]=3 1121 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,1,0,0,0,0|1,0,1]=3 1122 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,1,0,0,0,0|1,0,1]=3 1123 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,1,0,0,0,0|0,0,2]=3 1124 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,1,0,0,0,0|2,0,0]=3 1125 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,1,0,0,0,0|2,0,0]=3 1126 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,1,0,0,0,0|2,0,0]=3 1127 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,1,0,0,0,0|2,0,0]=3 1128 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,1,0,0,0,0|2,0,0]=3 1129 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,1,0,0,0,0|2,0,0]=3 1130 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,1,0,0,0,0|2,0,0]=3 1131 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,1,0,0,0,0|2,0,0]=3 1132 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,1,0,0,0,0|2,0,0]=3 1133 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,1,0,0,0,0|2,0,0]=3 1134 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,1,0,0,0,0|2,0,0]=3 1135 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,1,0,0,0,0|2,0,0]=3 1136 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,1,0,0,0,0|2,0,0]=3 1137 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,1,0,0,0,0|2,0,0]=3 1138 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,1,0,0,0,0|2,0,0]=3 1139 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,1,0,0,0,0|2,0,0]=3 1140 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,1,0,0,0,0|2,0,0]=3 1141 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,1,0,0,0,0|2,0,0]=3 1142 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,1,0,0,0,0|2,0,0]=3 1143 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,1,0,0,0,0|2,0,0]=3 1144 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,1,0,0,0,0|2,0,0]=3 1145 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,1,0,0,0,0|2,0,0]=3 1146 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,1,0,0,0,0|2,0,1]=4 1147 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,1,0,0,0,0|2,0,1]=4 1148 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,1,0,0,0,0|2,0,1]=4 1149 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,1,0,0,0,0|2,0,1]=4 1150 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,1,0,0,0,0|1,0,1]=3 1151 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,1,0,0,0,0|1,0,1]=3 1152 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,1,0,0,0,0|1,0,1]=3 1153 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,1,0,0,0,0|1,0,1]=3 1154 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,1,0,0,0,0|0,0,2]=3 1155 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,1,0,0,0,0|0,0,2]=3 1156 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,1,0,0,0,0|2,0,0]=3 1157 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,1,0,0,0,0|2,0,0]=3 1158 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,1,0,0,0,0|2,0,0]=3 1159 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,1,0,0,0,0|2,0,0]=3 1160 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,1,0,0,0,0|2,0,0]=3 1161 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,1,0,0,0,0|2,0,0]=3 1162 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,1,0,0,0,0|2,0,0]=3 1163 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,1,0,0,0,0|2,0,0]=3 1164 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,1,0,0,0,0|2,0,0]=3 1165 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,1,0,0,0,0|2,0,0]=3 1166 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,1,0,0,0,0|2,0,0]=3 1167 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,1,0,0,0,0|2,0,0]=3 1168 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,1,0,0,0,0|2,0,0]=3 1169 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,1,0,0,0,0|2,0,0]=3 1170 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,1,0,0,0,0|2,0,0]=3 1171 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,1,0,0,0,0|2,0,0]=3 1172 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,1,0,0,0,0|2,0,0]=3 1173 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,1,0,0,0,0|2,0,0]=3 1174 B6R0.6 CCSCSC#N 62a_100000210202_100000211825 [0,1,0,0,0,0|2,0,1]=4 1175 B6R0.6 CCSCSC#N 62a_100000211825_100000210202 [0,1,0,0,0,0|2,0,1]=4 1176 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,1,0,0,0,0|1,0,1]=3 1177 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,1,0,0,0,0|1,0,1]=3 1178 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,1,0,0,0,0|0,0,0]=1 1179 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,1,0,0,0,0|0,0,0]=1 1180 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,1,0,0,0,0|1,0,1]=3 1181 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,1,0,0,0,0|1,0,1]=3 1182 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,1,0,0,0,0|1,0,1]=3 1183 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,1,0,0,0,0|0,0,2]=3 1184 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,1,0,0,0,0|0,0,2]=3 1185 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,1,0,0,0,0|0,0,2]=3 1186 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,1,0,0,0,0|0,0,2]=3 1187 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,1,0,0,0,0|0,0,2]=3 1188 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,1,0,0,0,0|2,0,0]=3 1189 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,1,0,0,0,0|2,0,0]=3 1190 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,1,0,0,0,0|2,0,0]=3 1191 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,1,0,0,0,0|2,0,0]=3 1192 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,1,0,0,0,0|2,0,0]=3 1193 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,1,0,0,0,0|2,0,0]=3 1194 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,1,0,0,0,0|2,0,0]=3 1195 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,1,0,0,0,0|1,0,1]=3 1196 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,1,0,0,0,0|1,0,1]=3 1197 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,1,0,0,0,0|1,0,1]=3 1198 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,1,0,0,0,0|1,0,1]=3 1199 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,1,0,0,0,0|1,0,1]=3 1200 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,1,0,0,0,0|1,0,1]=3 1201 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,1,0,0,0,0|1,0,1]=3 1202 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,1,0,0,0,0|1,0,1]=3 1203 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,1,0,0,0,0|0,0,2]=3 1204 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,1,0,0,0,0|2,0,0]=3 1205 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,1,0,0,0,0|2,0,0]=3 1206 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,1,0,0,0,0|2,0,0]=3 1207 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,1,0,0,0,0|2,0,0]=3 1208 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,1,0,0,0,0|2,0,0]=3 1209 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,1,0,0,0,0|2,0,0]=3 1210 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,1,0,0,0,0|2,0,0]=3 1211 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,1,0,0,0,0|2,0,0]=3 1212 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,1,0,0,0,0|2,0,0]=3 1213 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,1,0,0,0,0|2,0,0]=3 1214 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,1,0,0,0,0|2,0,1]=4 1215 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,1,0,0,0,0|2,0,1]=4 1216 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,1,0,0,0,0|2,0,1]=4 1217 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,1,0,0,0,0|1,0,2]=4 1218 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,1,0,0,0,0|2,0,1]=4 1219 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,1,0,0,0,0|2,0,1]=4 1220 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,1,0,0,0,0|1,0,0]=2 1221 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,1,0,0,0,0|1,0,0]=2 1222 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,1,0,0,0,0|2,0,1]=4 1223 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,1,0,0,0,0|2,0,1]=4 1224 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,1,0,0,0,0|1,0,2]=4 1225 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,1,0,0,0,0|1,0,2]=4 1226 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,1,0,0,0,0|3,0,0]=4 1227 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,1,0,0,0,0|3,0,0]=4 1228 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,1,0,0,0,0|3,0,0]=4 1229 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,1,0,0,0,0|1,0,1]=3 1230 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,1,0,0,0,0|1,0,1]=3 1231 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,1,0,0,0,0|0,0,0]=1 1232 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,1,0,0,0,0|0,0,0]=1 1233 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,1,0,0,0,0|1,0,1]=3 1234 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,1,0,0,0,0|1,0,1]=3 1235 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,1,0,0,0,0|0,0,2]=3 1236 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,1,0,0,0,0|0,0,2]=3 1237 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,1,0,0,0,0|2,0,0]=3 1238 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,1,0,0,0,0|2,0,0]=3 1239 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,1,0,0,0,0|2,0,0]=3 1240 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,1,0,0,0,0|2,0,1]=4 1241 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,1,0,0,0,0|2,0,1]=4 1242 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,1,0,0,0,0|2,0,1]=4 1243 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,1,0,0,0,0|2,0,1]=4 1244 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,1,0,0,0,0|2,0,1]=4 1245 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,1,0,0,0,0|2,0,1]=4 1246 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,1,0,0,0,0|2,0,1]=4 1247 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,1,0,0,0,0|1,0,2]=4 1248 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,1,0,0,0,0|1,0,2]=4 1249 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,1,0,0,0,0|2,0,1]=4 1250 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,1,0,0,0,0|2,0,1]=4 1251 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,1,0,0,0,0|2,0,1]=4 1252 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,1,0,0,0,0|2,0,1]=4 1253 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,1,0,0,0,0|1,0,0]=2 1254 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,1,0,0,0,0|1,0,0]=2 1255 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,1,0,0,0,0|2,0,1]=4 1256 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,1,0,0,0,0|2,0,1]=4 1257 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,1,0,0,0,0|1,0,2]=4 1258 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,1,0,0,0,0|1,0,2]=4 1259 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,1,0,0,0,0|3,0,0]=4 1260 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,1,0,0,0,0|2,0,1]=4 1261 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,1,0,0,0,0|2,0,1]=4 1262 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,1,0,0,0,0|2,0,1]=4 1263 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,1,0,0,0,0|2,0,1]=4 1264 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,1,0,0,0,0|2,0,1]=4 1265 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,1,0,0,0,0|2,0,1]=4 1266 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,1,0,0,0,0|2,0,1]=4 1267 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,1,0,0,0,0|2,0,1]=4 1268 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,1,0,0,0,0|2,0,1]=4 1269 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [0,1,0,0,0,0|2,0,1]=4 1270 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [0,1,0,0,0,0|2,0,1]=4 1271 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,1,0,0,0,0|2,0,1]=4 1272 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,1,0,0,0,0|1,0,1]=3 1273 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,1,0,0,0,0|1,0,1]=3 1274 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,1,0,0,0,0|2,0,1]=4 1275 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,1,0,0,0,0|2,0,1]=4 1276 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,1,0,0,0,0|2,0,1]=4 1277 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,1,0,0,0,0|2,0,1]=4 1278 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,1,0,0,0,0|2,0,1]=4 1279 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,1,0,0,0,0|1,0,0]=2 1280 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,1,0,0,0,0|2,0,1]=4 1281 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,1,0,0,0,0|1,0,2]=4 1282 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,1,0,0,0,0|3,0,0]=4 1283 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,1,0,0,0,0|1,0,0]=2 1284 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,1,0,0,0,0|1,0,0]=2 1285 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,1,0,0,0,0|1,0,0]=2 1286 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,1,0,0,0,0|1,0,0]=2 1287 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,1,0,0,0,0|1,0,1]=3 1288 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,1,0,0,0,0|1,0,0]=2 1289 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,1,0,0,0,0|1,0,0]=2 1290 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,1,0,0,0,0|1,0,0]=2 1291 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,1,0,0,0,0|1,0,0]=2 1292 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,1,0,0,0,0|1,0,2]=4 1293 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,1,0,0,0,0|1,0,2]=4 1294 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,1,0,0,0,0|1,0,2]=4 1295 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,1,0,0,0,0|1,0,2]=4 1296 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,1,0,0,0,0|1,0,2]=4 1297 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,1,0,0,0,0|1,0,2]=4 1298 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,1,0,0,0,0|1,0,2]=4 1299 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,1,0,0,0,0|1,0,2]=4 1300 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,1,0,0,0,0|1,0,2]=4 1301 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,1,0,0,0,0|1,0,2]=4 1302 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,1,0,0,0,0|1,0,2]=4 1303 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,1,0,0,0,0|0,0,2]=3 1304 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,1,0,0,0,0|0,0,2]=3 1305 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,1,0,0,0,0|1,0,1]=3 1306 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,1,0,0,0,0|1,0,1]=3 1307 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,1,0,0,0,0|1,0,1]=3 1308 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,1,0,0,0,0|1,0,1]=3 1309 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,1,0,0,0,0|1,0,1]=3 1310 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,1,0,0,0,0|1,0,1]=3 1311 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,1,0,0,0,0|1,0,1]=3 1312 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,1,0,0,0,0|1,0,1]=3 1313 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,1,0,0,0,0|1,0,1]=3 1314 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,1,0,0,0,0|0,0,0]=1 1315 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,1,0,0,0,0|0,0,0]=1 1316 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,1,0,0,0,0|1,0,1]=3 1317 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,1,0,0,0,0|1,0,1]=3 1318 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,1,0,0,0,0|0,0,2]=3 1319 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,1,0,0,0,0|0,0,2]=3 1320 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,1,0,0,0,0|2,0,1]=4 1321 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,1,0,0,0,0|2,0,1]=4 1322 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,1,0,0|2,0,1]=4 1323 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|2,0,0]=3 1324 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|2,0,0]=3 1325 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|3,0,0]=4 1326 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|3,0,0]=4 1327 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,1,0,0|2,0,1]=4 1328 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|2,0,0]=3 1329 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|2,0,0]=3 1330 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|3,0,0]=4 1331 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|3,0,0]=4 1332 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|2,0,1]=4 1333 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|2,0,1]=4 1334 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|2,0,1]=4 1335 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,0,1,0,0|2,0,0]=3 1336 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,0,1,0,0|2,0,0]=3 1337 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,0,1,0,0|2,0,0]=3 1338 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,0,1,0,0|2,0,0]=3 1339 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,0,1,0,0|2,0,0]=3 1340 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,0,1,0,0|2,0,0]=3 1341 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,0,0,1,0,0|1,0,2]=4 1342 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,0,0,1,0,0|1,0,2]=4 1343 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,0,0,1,0,0|1,0,2]=4 1344 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,0,0,1,0,0|1,1,1]=4 1345 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,0,0,1,0,0|1,0,2]=4 1346 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,0,1,0,0|2,0,0]=3 1347 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,0,1,0,0|2,0,0]=3 1348 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,0,0,1,0,0|1,0,2]=4 1349 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,0,0,1,0,0|1,0,2]=4 1350 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,0,1,0,0|2,0,0]=3 1351 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,0,1,0,0|2,0,0]=3 1352 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,0,1,0,0|1,0,2]=4 1353 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,0,1,0,0|1,0,2]=4 1354 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,0,0,1,0,0|1,1,1]=4 1355 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,0,0,1,0,0|1,1,1]=4 1356 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,0,1,0,0|1,0,2]=4 1357 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,0,1,0,0|1,0,2]=4 1358 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,0,1,0,0|2,0,1]=4 1359 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,0,1,0,0|2,0,1]=4 1360 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,0,1,0,0|2,0,0]=3 1361 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,0,1,0,0|2,0,0]=3 1362 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,0,1,0,0|2,0,0]=3 1363 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,0,0,1,0,0|1,0,2]=4 1364 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,0,1,0,0|2,0,0]=3 1365 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,0,1,0,0|2,0,0]=3 1366 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,0,1,0,0|1,0,2]=4 1367 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,0,1,0,0|1,0,2]=4 1368 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,0,0,1,0,0|1,1,1]=4 1369 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,0,0,1,0,0|1,1,1]=4 1370 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,0,1,0,0|1,0,2]=4 1371 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,0,1,0,0|1,0,2]=4 1372 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 1373 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 1374 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 1375 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 1376 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,0,1,0,0|2,0,1]=4 1377 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 1378 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,1,0,0|2,0,0]=3 1379 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 1380 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,1,0,0|2,0,0]=3 1381 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,0,1,0,0|3,0,0]=4 1382 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,0,1,0,0|3,0,0]=4 1383 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,0,1,0,0|3,0,0]=4 1384 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,1,0,0|2,0,0]=3 1385 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,1,0,0|2,0,0]=3 1386 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,0,1,0,0|3,0,0]=4 1387 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,0,1,0,0|3,0,0]=4 1388 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,1,0,0|2,0,0]=3 1389 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,0,1,0,0|3,0,0]=4 1390 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,0,0,1,0,0|2,0,1]=4 1391 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 1392 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 1393 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,0,1,0,0|3,0,0]=4 1394 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,1,0,0|2,0,0]=3 1395 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,0,1,0,0|3,0,0]=4 1396 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,1,0,0|2,0,0]=3 1397 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,0,1,0,0|3,0,0]=4 1398 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,0,0,1,0,0|2,0,1]=4 1399 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,0,0,1,0,0|2,0,1]=4 1400 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,0,0,1,0,0|2,0,1]=4 1401 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,0,0,1,0,0|2,0,1]=4 1402 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,0,0,1,0,0|2,0,1]=4 1403 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,0,0,1,0,0|2,0,1]=4 1404 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 1405 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 1406 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 1407 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 1408 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 1409 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,0]=3 1410 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,0]=3 1411 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,0]=3 1412 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,0]=3 1413 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,0]=3 1414 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,0]=3 1415 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,0]=3 1416 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 1417 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 1418 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 1419 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 1420 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 1421 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 1422 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 1423 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,1,0,0,0,0|0,0,2]=4 1424 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,1,0,0,0,0|0,0,2]=4 1425 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,1,0,0,0,0|0,0,2]=4 1426 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 1427 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|1,0,1]=4 1428 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 1429 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|1,0,1]=4 1430 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|1,0,1]=4 1431 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|1,0,1]=4 1432 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|1,0,1]=4 1433 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|1,0,1]=4 1434 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|1,0,1]=4 1435 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|1,0,1]=4 1436 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,1,0,0,0,0|1,0,1]=4 1437 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,1,0,0,0,0|1,0,1]=4 1438 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,1,0,0,0,0|1,0,1]=4 1439 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|1,0,1]=4 1440 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|1,0,1]=4 1441 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|1,0,1]=4 1442 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,1,0,0,0,0|1,0,1]=4 1443 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,1,0,0,0,0|1,0,1]=4 1444 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,1,0,0,0,0|1,0,1]=4 1445 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,1,0,0,0,0|1,0,1]=4 1446 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|0,0,2]=4 1447 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|0,0,2]=4 1448 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|0,0,2]=4 1449 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 1450 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 1451 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 1452 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 1453 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 1454 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 1455 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,1,0,0,0,0|0,0,2]=4 1456 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,1,0,0,0,0|0,0,2]=4 1457 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,1,0,0,0,0|1,0,1]=4 1458 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,1,0,0,0,0|1,0,1]=4 1459 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|1,0,0]=3 1460 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|1,0,0]=3 1461 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|1,0,0]=3 1462 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|1,0,0]=3 1463 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,1]=4 1464 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|1,0,1]=4 1465 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|1,0,1]=4 1466 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|1,0,1]=4 1467 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|1,0,1]=4 1468 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|1,0,1]=4 1469 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|2,0,0]=4 1470 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|2,0,0]=4 1471 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|2,0,0]=4 1472 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|2,0,0]=4 1473 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,1]=4 1474 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 1475 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 1476 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|1,0,1]=4 1477 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|1,0,1]=4 1478 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|0,0,2]=4 1479 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|0,0,2]=4 1480 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|0,0,0]=2 1481 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|0,0,0]=2 1482 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|0,0,0]=2 1483 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|1,0,1]=4 1484 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|1,0,1]=4 1485 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|1,0,1]=4 1486 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|1,0,1]=4 1487 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|1,0,1]=4 1488 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|1,0,1]=4 1489 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|1,0,0]=3 1490 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|1,0,0]=3 1491 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|1,0,0]=3 1492 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|1,0,1]=4 1493 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|1,0,1]=4 1494 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|1,0,1]=4 1495 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|1,0,1]=4 1496 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|1,0,1]=4 1497 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|1,0,1]=4 1498 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|1,0,1]=4 1499 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,1,0,0,0,0|1,0,0]=3 1500 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,1,0,0,0,0|1,0,0]=3 1501 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 1502 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 1503 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|1,0,1]=4 1504 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|1,0,1]=4 1505 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|1,0,1]=4 1506 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|1,0,1]=4 1507 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|1,0,1]=4 1508 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|1,0,1]=4 1509 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,1,0,0,0,0|1,0,0]=3 1510 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,1,0,0,0,0|1,0,0]=3 1511 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,1,0,0,0,0|1,0,0]=3 1512 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,1,0,0,0,0|1,0,0]=3 1513 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|1,0,0]=3 1514 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,1,0,0,0,0|1,0,0]=3 1515 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|1,0,1]=4 1516 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|1,0,1]=4 1517 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|1,0,1]=4 1518 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|1,0,1]=4 1519 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|1,0,1]=4 1520 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|1,0,1]=4 1521 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 1522 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,0,1]=4 1523 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 1524 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,0,1]=4 1525 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,0,1]=4 1526 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 1527 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,1,0,0,0,0|2,0,0]=4 1528 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,1,0,0,0,0|2,0,0]=4 1529 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 1530 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,0,1]=4 1531 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,0,1]=4 1532 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,0,1]=4 1533 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,1,0,0,0,0|2,0,0]=4 1534 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,1,0,0,0,0|2,0,0]=4 1535 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|1,0,0]=3 1536 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|1,0,0]=3 1537 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|1,0,0]=3 1538 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|1,0,0]=3 1539 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|1,0,0]=3 1540 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,1]=4 1541 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|1,0,1]=4 1543 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,1]=4 1544 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|1,0,1]=4 1545 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|2,0,0]=4 1546 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|2,0,0]=4 1547 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,1]=4 1548 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1549 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|1,0,1]=4 1550 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,1,0,0,0,0|2,0,0]=4 1551 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|1,0,0]=3 1552 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,1,0,0,0,0|1,0,0]=3 1553 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,1,0,0,0,0|1,0,0]=3 1554 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|1,0,0]=3 1555 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,1,0,0,0,0|1,0,0]=3 1556 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,1,0,0,0,0|1,0,0]=3 1557 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|1,0,1]=4 1558 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|1,0,1]=4 1559 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|1,0,1]=4 1560 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|1,0,1]=4 1561 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|2,0,0]=4 1562 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|2,0,0]=4 1563 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|1,0,1]=4 1564 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|1,0,1]=4 1565 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,1,0,0,0,0|2,0,0]=4 1566 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,1]=4 1567 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1568 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|1,0,1]=4 1569 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|1,0,1]=4 1570 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,1,0,0,0,0|1,0,1]=4 1571 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|1,0,0]=3 1572 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,1,0,0,0,0|1,0,0]=3 1573 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|1,0,0]=3 1574 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,1,0,0,0,0|2,0,0]=4 1575 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|2,0,0]=4 1576 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,1,0,0,0,0|1,0,0]=3 1577 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,1,0,0,0,0|1,0,0]=3 1578 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,1,0,0,0,0|1,0,0]=3 1579 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,1,0,0,0,0|1,0,0]=3 1580 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|2,0,0]=4 1581 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|2,0,0]=4 1582 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,1,0,0,0,0|2,0,0]=4 1583 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|0,0,2]=4 1584 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|1,0,1]=4 1585 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|1,0,1]=4 1586 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|1,0,1]=4 1587 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|1,0,1]=4 1588 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|2,0,0]=4 1589 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|2,0,0]=4 1590 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1591 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|1,0,1]=4 1592 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|0,0,2]=4 1593 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,0,1]=4 1594 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,2]=4 1595 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|1,0,1]=4 1596 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 1597 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|1,0,1]=4 1598 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 1599 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|1,0,1]=4 1600 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|1,0,1]=4 1601 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|1,0,1]=4 1602 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|1,0,1]=4 1603 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1604 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|1,0,1]=4 1605 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1606 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|1,0,1]=4 1607 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|1,0,1]=4 1608 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 1609 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|1,0,1]=4 1610 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|1,0,1]=4 1611 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 1612 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|2,0,0]=4 1613 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 1614 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|1,0,1]=4 1615 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 1616 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|1,0,1]=4 1617 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|1,0,1]=4 1618 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|1,0,1]=4 1619 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1620 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|2,0,0]=4 1621 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|2,0,0]=4 1622 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1623 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|1,0,1]=4 1624 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|1,0,1]=4 1625 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|1,0,1]=4 1626 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|1,0,1]=4 1627 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1628 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|1,0,1]=4 1629 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|1,0,1]=4 1630 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|1,0,1]=4 1631 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1632 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1633 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1634 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1635 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1637 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1638 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1639 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,2,0,0,0,0|1,0,1]=4 1640 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1641 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1642 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|1,0,1]=4 1643 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|1,0,1]=4 1644 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|0,0,2]=4 1645 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|0,0,2]=4 1646 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|2,0,0]=4 1647 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,2,0,0,0,0|2,0,0]=4 1648 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|2,0,0]=4 1649 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,0,0]=3 1650 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|2,0,0]=4 1651 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|2,0,0]=4 1652 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|2,0,0]=4 1653 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|2,0,0]=4 1654 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|2,0,0]=4 1655 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|2,0,0]=4 1656 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|2,0,0]=4 1657 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|2,0,0]=4 1658 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1660 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1661 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,2,0,0,0,0|2,0,0]=4 1662 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,2,0,0,0,0|2,0,0]=4 1663 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|0,0,2]=4 1664 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|0,0,2]=4 1665 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|0,0,1]=3 1666 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|0,0,1]=3 1667 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|0,0,1]=3 1668 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|0,0,1]=3 1669 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,2,0,0,0,0|1,0,1]=4 1670 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|0,0,0]=2 1671 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|0,0,0]=2 1672 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|0,0,0]=2 1673 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1674 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 1675 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1676 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 1677 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,2,0,0,0,0|2,0,0]=4 1678 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1679 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1680 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1681 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1682 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1683 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|1,0,0]=3 1684 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|0,0,0]=2 1685 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|0,0,0]=2 1686 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|0,0,0]=2 1687 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 1688 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 1689 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|1,0,0]=3 1690 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|1,0,0]=3 1691 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|1,0,0]=3 1692 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|1,0,0]=3 1693 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|1,0,0]=3 1694 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|1,0,0]=3 1695 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|1,0,0]=3 1696 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,2,0,0,0,0|1,0,0]=3 1697 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,2,0,0,0,0|2,0,0]=4 1698 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|1,0,0]=3 1699 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|0,0,0]=2 1700 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 1701 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 1702 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|2,0,0]=4 1703 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|2,0,0]=4 1704 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|1,0,1]=4 1705 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 1706 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 1707 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,2,0,0,0,0|2,0,0]=4 1708 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 1709 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,2,0,0,0,0|2,0,0]=4 1710 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 1711 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|1,0,1]=4 1712 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|1,0,1]=4 1713 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|1,0,1]=4 1714 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1715 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|2,0,0]=4 1716 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1717 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,2,0,0,0,0|2,0,0]=4 1718 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,2,0,0,0,0|2,0,0]=4 1719 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|2,0,0]=4 1720 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|2,0,0]=4 1721 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|1,0,1]=4 1722 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,1]=4 1723 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|1,0,1]=4 1724 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|2,0,0]=4 1725 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,2,0,0,0,0|0,0,2]=4 1726 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,2,0,0,0,0|0,0,2]=4 1727 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,2,0,0,0,0|0,0,2]=4 1728 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,2,0,0,0,0|1,0,1]=4 1729 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,2,0,0,0,0|0,0,2]=4 1730 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,2,0,0,0,0|0,0,0]=2 1731 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,2,0,0,0,0|1,0,0]=3 1732 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,2,0,0,0,0|1,0,0]=3 1733 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,2,0,0,0,0|1,0,0]=3 1734 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,2,0,0,0,0|1,0,0]=3 1735 B7R0.3 C#CC(C)NCC=C 2230a_100000707721_100000210623 [0,2,0,0,0,0|2,0,0]=4 1736 B7R0.3 C#CC(C)NCC=C 34a_100000707721_100015514636 [0,2,0,0,0,0|2,0,0]=4 1737 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,2,0,0,0,0|1,0,0]=3 1738 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,2,0,0,0,0|1,0,0]=3 1739 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,2,0,0,0,0|1,0,1]=4 1740 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,2,0,0,0,0|1,0,1]=4 1741 B7R0.3 C#CC(C)OCC=C 34a_200000210373_200000035995 [0,2,0,0,0,0|2,0,0]=4 1742 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,2,0,0,0,0|1,0,1]=4 1743 B7R0.3 C#CC(C)SCC=C 62a_200000035995_100000210623 [0,2,0,0,0,0|2,0,0]=4 1744 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,2,0,0,0,0|1,0,0]=3 1745 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,2,0,0,0,0|1,0,1]=4 1746 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,2,0,0,0,0|0,0,2]=4 1747 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,2,0,0,0,0|0,0,2]=4 1748 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,2,0,0,0,0|0,0,2]=4 1749 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,2,0,0,0,0|0,0,2]=4 1750 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,2,0,0,0,0|0,0,2]=4 1751 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,2,0,0,0,0|0,0,2]=4 1752 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,2,0,0,0,0|0,0,2]=4 1753 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,2,0,0,0,0|0,0,2]=4 1754 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,2,0,0,0,0|0,0,2]=4 1755 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,2,0,0,0,0|0,0,2]=4 1756 B7R0.3 C#CCCN(C)CC 2230a_100000225621_100000688953 [0,2,0,0,0,0|1,0,1]=4 1757 B7R0.3 C#CCCN(C)CC 269982a_100000225621_100000730999 [0,2,0,0,0,0|1,0,1]=4 1758 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,2,0,0,0,0|1,0,1]=4 1759 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,2,0,0,0,0|1,0,1]=4 1760 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,2,0,0,0,0|1,0,1]=4 1761 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,2,0,0,0,0|1,0,1]=4 1762 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,2,0,0,0,0|1,0,1]=4 1763 B7R0.3 C#C[C@@H](C)OCC=C 34a_100009815206_100015514636 [0,2,0,0,0,0|2,0,0]=4 1764 B7R0.3 C#C[C@@H](C)OCC=C 7a_100009815206_100015514636 [0,2,0,0,0,0|2,0,0]=4 1765 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,2,0,0,0,0|1,0,0]=3 1766 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,2,0,0,0,0|1,0,0]=3 1767 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,2,0,0,0,0|1,0,1]=4 1768 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,2,0,0,0,0|1,0,1]=4 1769 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|0,0,2]=4 1770 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|0,0,2]=4 1771 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,2,0,0,0,0|1,0,1]=4 1772 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,2,0,0,0,0|2,0,0]=4 1773 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,2,0,0,0,0|2,0,0]=4 1774 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,2,0,0,0,0|2,0,0]=4 1775 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|0,0,2]=4 1776 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,2,0,0,0,0|0,0,2]=4 1777 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|0,0,2]=4 1778 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,2,0,0,0,0|1,0,1]=4 1779 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,2,0,0,0,0|0,0,0]=2 1780 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,2,0,0,0,0|1,0,0]=3 1781 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,2,0,0,0,0|1,0,0]=3 1782 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|1,0,0]=3 1783 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,2,0,0,0,0|1,0,0]=3 1784 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,2,0,0,0,0|1,0,0]=3 1785 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,2,0,0,0,0|1,0,0]=3 1786 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,2,0,0,0,0|2,0,0]=4 1787 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,2,0,0,0,0|2,0,0]=4 1788 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,2,0,0,0,0|2,0,0]=4 1790 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,0,0]=3 1791 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,0,0]=3 1792 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,2,0,0,0,0|2,0,0]=4 1793 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,2,0,0,0,0|2,0,0]=4 1794 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,2,0,0,0,0|1,0,0]=3 1795 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,2,0,0,0,0|1,0,0]=3 1796 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,2,0,0,0,0|2,0,0]=4 1797 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|2,0,0]=4 1798 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,2,0,0,0,0|2,0,0]=4 1799 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,2,0,0,0,0|1,0,0]=3 1800 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,2,0,0,0,0|1,0,0]=3 1801 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,2,0,0,0,0|2,0,0]=4 1802 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|2,0,0]=4 1803 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|2,0,0]=4 1804 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,2,0,0,0,0|2,0,0]=4 1805 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,2,0,0,0,0|1,0,0]=3 1806 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,2,0,0,0,0|1,0,0]=3 1807 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,2,0,0,0,0|1,0,0]=3 1808 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,2,0,0,0,0|1,0,0]=3 1809 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,2,0,0,0,0|2,0,0]=4 1810 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,2,0,0,0,0|2,0,0]=4 1811 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|0,0,2]=4 1812 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|1,0,0]=3 1813 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|1,0,0]=3 1814 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,2,0,0,0,0|0,0,2]=4 1815 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|0,0,2]=4 1816 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,2,0,0,0,0|0,0,2]=4 1817 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,2,0,0,0,0|0,0,2]=4 1818 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,2,0,0,0,0|0,0,2]=4 1819 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,2,0,0,0,0|0,0,2]=4 1820 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,2,0,0,0,0|1,0,0]=3 1821 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|1,0,0]=3 1822 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|1,0,0]=3 1823 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|1,0,0]=3 1824 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|1,0,0]=3 1825 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,2,0,0,0,0|1,0,0]=3 1826 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,2,0,0,0,0|1,0,0]=3 1827 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,2,0,0,0,0|1,0,0]=3 1828 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,2,0,0,0,0|1,0,0]=3 1829 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [0,2,0,0,0,0|2,0,0]=4 1830 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1831 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1832 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,2,0,0,0,0|1,0,1]=4 1833 B7R0.3 C=CCNC(C)C#N 2230a_100000737613_100000210623 [0,2,0,0,0,0|2,0,0]=4 1834 B7R0.3 C=CCNC(C)C#N 2230a_100020586998_100000184139 [0,2,0,0,0,0|2,0,0]=4 1835 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|1,0,0]=3 1836 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|1,0,0]=3 1837 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,2,0,0,0,0|2,0,0]=4 1838 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,2,0,0,0,0|2,0,0]=4 1839 B7R0.3 C=CCOC(C)C#N 34a_100011218135_100015514636 [0,2,0,0,0,0|2,0,0]=4 1840 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|2,0,0]=4 1841 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,0]=3 1842 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,0]=3 1843 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1844 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1845 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|2,0,0]=4 1846 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|2,0,0]=4 1847 B7R0.3 C=CCSC(C)C#N 62a_100000210623_100000703298 [0,2,0,0,0,0|2,0,0]=4 1848 B7R0.3 C=CCSC(C)C#N 62a_100000703298_100000210623 [0,2,0,0,0,0|2,0,0]=4 1849 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,2,0,0,0,0|2,0,0]=4 1850 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,0,0]=3 1851 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,0,0]=3 1852 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,2,0,0,0,0|2,0,0]=4 1853 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|2,0,0]=4 1854 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|2,0,0]=4 1855 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,2,0,0,0,0|2,0,0]=4 1856 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,2,0,0,0,0|2,0,0]=4 1857 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,2,0,0,0,0|1,0,0]=3 1858 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,2,0,0,0,0|0,0,2]=4 1860 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,2,0,0,0,0|0,0,2]=4 1861 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,2,0,0,0,0|1,0,0]=3 1862 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,2,0,0,0,0|1,0,0]=3 1863 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,2,0,0,0,0|1,0,0]=3 1864 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,2,0,0,0,0|1,0,0]=3 1865 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,2,0,0,0,0|1,0,1]=4 1866 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,2,0,0,0,0|1,0,1]=4 1867 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,2,0,0,0,0|1,0,0]=3 1868 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,2,0,0,0,0|1,0,0]=3 1869 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|1,0,0]=3 1870 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,2,0,0,0,0|0,0,2]=4 1871 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|0,0,2]=4 1872 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,2,0,0,0,0|1,0,0]=3 1873 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|0,0,2]=4 1874 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|0,0,2]=4 1875 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|0,0,2]=4 1876 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|0,0,2]=4 1877 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|0,0,2]=4 1878 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|0,0,2]=4 1879 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|0,0,2]=4 1880 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|0,0,2]=4 1881 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,2,0,0,0,0|1,0,1]=4 1882 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,2,0,0,0,0|2,0,0]=4 1883 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,2,0,0,0,0|0,0,2]=4 1884 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,2,0,0,0,0|0,0,2]=4 1885 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,2,0,0,0,0|1,0,1]=4 1886 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,2,0,0,0,0|1,0,1]=4 1887 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,2,0,0,0,0|1,0,0]=3 1888 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|1,0,0]=3 1889 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|1,0,0]=3 1890 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|1,0,0]=3 1891 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|1,0,0]=3 1892 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|1,0,0]=3 1893 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|2,0,0]=4 1894 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,2,0,0,0,0|2,0,0]=4 1895 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1898 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,2,0,0,0,0|2,0,0]=4 1900 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|2,0,0]=4 1901 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|2,0,0]=4 1902 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,2,0,0,0,0|1,0,1]=4 1903 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,2,0,0,0,0|1,0,1]=4 1904 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|0,0,2]=4 1905 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|0,0,2]=4 1906 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,2,0,0,0,0|1,0,1]=4 1907 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,2,0,0,0,0|1,0,1]=4 1908 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,2,0,0,0,0|1,0,1]=4 1909 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|0,0,0]=2 1910 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,2,0,0,0,0|1,0,1]=4 1911 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,2,0,0,0,0|1,0,1]=4 1912 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|0,0,2]=4 1913 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|0,0,2]=4 1914 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|0,0,2]=4 1915 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|2,0,0]=4 1916 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|2,0,0]=4 1917 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,2,0,0,0,0|1,0,1]=4 1918 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|0,0,0]=2 1919 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,2,0,0,0,0|1,0,1]=4 1920 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,2,0,0,0,0|1,0,1]=4 1921 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,2,0,0,0,0|1,0,1]=4 1922 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|0,0,2]=4 1923 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,2,0,0,0,0|1,0,1]=4 1924 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,2,0,0,0,0|1,0,1]=4 1925 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|0,0,0]=2 1926 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|0,0,0]=2 1927 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,2,0,0,0,0|1,0,1]=4 1928 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,2,0,0,0,0|1,0,1]=4 1929 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|0,0,2]=4 1930 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|0,0,2]=4 1931 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|2,0,0]=4 1932 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|2,0,0]=4 1933 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|2,0,0]=4 1934 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,2,0,0,0,0|1,0,1]=4 1936 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,2,0,0,0,0|1,0,1]=4 1937 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|0,0,2]=4 1938 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|0,0,2]=4 1939 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|0,0,2]=4 1940 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|0,0,2]=4 1941 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|0,0,2]=4 1942 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|0,0,0]=2 1943 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|0,0,0]=2 1944 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,2,0,0,0,0|0,0,0]=2 1945 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|0,0,0]=2 1946 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|0,0,0]=2 1947 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|0,0,0]=2 1948 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|0,0,0]=2 1949 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|0,0,0]=2 1950 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,2,0,0,0,0|1,0,1]=4 1951 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,2,0,0,0,0|1,0,1]=4 1952 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,2,0,0,0,0|1,0,1]=4 1953 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,2,0,0,0,0|1,0,1]=4 1954 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,2,0,0,0,0|1,0,1]=4 1955 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,2,0,0,0,0|1,0,1]=4 1956 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,2,0,0,0,0|0,0,2]=4 1957 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,2,0,0,0,0|0,0,2]=4 1958 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,2,0,0,0,0|0,0,2]=4 1959 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,2,0,0,0,0|0,0,2]=4 1960 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,2,0,0,0,0|0,0,2]=4 1961 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,2,0,0,0,0|0,1,1]=4 1962 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,2,0,0,0,0|0,1,1]=4 1963 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,2,0,0,0,0|0,1,1]=4 1964 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,2,0,0,0,0|0,1,1]=4 1965 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,2,0,0,0,0|1,0,1]=4 1966 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,2,0,0,0,0|1,0,1]=4 1967 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,2,0,0,0,0|1,0,1]=4 1968 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,2,0,0,0,0|1,0,1]=4 1969 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,2,0,0,0,0|1,0,1]=4 1970 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,2,0,0,0,0|1,0,1]=4 1971 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,2,0,0,0,0|1,0,1]=4 1972 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,2,0,0,0,0|1,0,1]=4 1973 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,2,0,0,0,0|1,0,1]=4 1974 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1975 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1976 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1977 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,2,0,0,0,0|1,0,0]=3 1978 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,2,0,0,0,0|1,0,0]=3 1979 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,2,0,0,0,0|1,0,0]=3 1980 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,2,0,0,0,0|1,0,0]=3 1981 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,2,0,0,0,0|1,0,0]=3 1982 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,2,0,0,0,0|1,0,0]=3 1983 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,2,0,0,0,0|1,0,0]=3 1984 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,2,0,0,0,0|1,0,0]=3 1985 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,2,0,0,0,0|1,0,0]=3 1986 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,2,0,0,0,0|1,0,1]=4 1987 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,2,0,0,0,0|1,0,1]=4 1988 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,2,0,0,0,0|0,0,2]=4 1989 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,2,0,0,0,0|1,0,1]=4 1990 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,2,0,0,0,0|1,0,1]=4 1991 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,2,0,0,0,0|1,0,1]=4 1992 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 1993 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 1994 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,2,0,0,0,0|1,0,1]=4 1995 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|0,0,2]=4 1996 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,2,0,0,0,0|1,0,1]=4 1997 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,2,0,0,0,0|1,0,1]=4 1998 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,2,0,0,0,0|1,0,1]=4 1999 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,2,0,0,0,0|1,0,1]=4 2000 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,2,0,0,0,0|0,0,2]=4 2001 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,2,0,0,0,0|2,0,0]=4 2002 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,2,0,0,0,0|2,0,0]=4 2003 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [0,2,0,0,0,0|1,0,1]=4 2004 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [0,2,0,0,0,0|1,0,1]=4 2005 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,2,0,0,0,0|0,0,2]=4 2006 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,2,0,0,0,0|0,0,2]=4 2007 B7R0.3 CCN(C)CCC#N 2230a_100000184479_100000210202 [0,2,0,0,0,0|1,0,1]=4 2008 B7R0.3 CCN(C)CCC#N 2230a_100000225621_100011215226 [0,2,0,0,0,0|1,0,1]=4 2009 B7R0.3 CCN(C)CCC#N 2230a_100000226048_200000210301 [0,2,0,0,0,0|1,0,1]=4 2010 B7R0.3 CCN(C)CCC#N 269982a_100000225621_100011215226 [0,2,0,0,0,0|1,0,1]=4 2011 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,2,0,0,0,0|1,0,1]=4 2012 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,2,0,0,0,0|1,0,1]=4 2013 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,2,0,0,0,0|0,0,2]=4 2014 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,2,0,0,0,0|0,0,2]=4 2015 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,2,0,0,0,0|0,0,2]=4 2016 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,2,0,0,0,0|0,0,2]=4 2017 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,2,0,0,0,0|2,0,0]=4 2018 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 2019 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,2,0,0,0,0|2,0,0]=4 2020 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,2,0,0,0,0|2,0,0]=4 2021 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 2022 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,2,0,0,0,0|2,0,0]=4 2025 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,2,0,0,0,0|2,0,0]=4 2026 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,2,0,0,0,0|2,0,0]=4 2027 B7R0.3 CCN([13CH3])CCC#N 2230a_100000226048_200025704644 [0,2,0,0,0,0|1,0,1]=4 2028 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 2029 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 2030 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,2,0,0,0,0|1,0,0]=3 2031 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,2,0,0,0,0|1,0,0]=3 2032 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|1,0,0]=3 2033 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,2,0,0,0,0|1,0,1]=4 2034 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,2,0,0,0,0|1,0,1]=4 2035 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,2,0,0,0,0|1,0,1]=4 2036 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,2,0,0,0,0|0,0,2]=4 2037 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,2,0,0,0,0|1,0,1]=4 2038 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,2,0,0,0,0|1,0,1]=4 2039 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,2,0,0,0,0|0,0,2]=4 2040 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,2,0,0,0,0|1,0,1]=4 2041 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,2,0,0,0,0|0,0,2]=4 2042 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,2,0,0,0,0|2,0,0]=4 2043 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,2,0,0,0,0|0,0,2]=4 2044 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,2,0,0,0,0|1,0,1]=4 2045 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,2,0,0,0,0|0,0,2]=4 2046 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,2,0,0,0,0|0,0,2]=4 2047 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,2,0,0,0,0|2,0,0]=4 2048 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,2,0,0,0,0|2,0,0]=4 2049 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,2,0,0,0,0|2,0,0]=4 2050 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,2,0,0,0,0|2,0,0]=4 2051 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,2,0,0,0,0|2,0,0]=4 2052 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|1,0,0]=3 2053 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|1,0,0]=3 2054 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,2,0,0,0,0|1,0,0]=3 2055 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|1,0,0]=3 2056 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 2057 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 2058 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|1,0,0]=3 2059 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|1,0,0]=3 2060 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|1,0,0]=3 2061 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|1,0,0]=3 2062 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|1,0,1]=4 2063 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|1,0,1]=4 2064 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|2,0,0]=4 2065 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2066 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2067 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2068 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2069 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,2,0,0,0,0|1,0,1]=4 2070 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|1,0,1]=4 2071 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,2,0,0,0,0|0,0,2]=4 2072 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|1,0,1]=4 2073 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|1,0,1]=4 2074 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|0,0,2]=4 2075 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,2,0,0,0,0|1,0,1]=4 2076 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,2,0,0,0,0|0,0,2]=4 2077 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,2,0,0,0,0|1,0,1]=4 2078 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,2,0,0,0,0|1,0,0]=3 2079 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,2,0,0,0,0|1,0,0]=3 2080 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,2,0,0,0,0|1,0,0]=3 2081 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,2,0,0,0,0|1,0,0]=3 2082 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,2,0,0,0,0|1,0,0]=3 2083 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 2084 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 2085 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 2086 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,2,0,0,0,0|1,0,0]=3 2087 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,2,0,0,0,0|1,0,0]=3 2088 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|1,0,0]=3 2089 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|1,0,0]=3 2090 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,2,0,0,0,0|1,0,1]=4 2091 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,2,0,0,0,0|1,0,1]=4 2092 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,2,0,0,0,0|2,0,0]=4 2093 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,2,0,0,0,0|1,0,1]=4 2094 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,2,0,0,0,0|1,0,1]=4 2095 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,2,0,0,0,0|0,0,2]=4 2096 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,2,0,0,0,0|0,0,2]=4 2097 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,2,0,0,0,0|1,0,1]=4 2098 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,2,0,0,0,0|1,0,1]=4 2099 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,2,0,0,0,0|0,0,2]=4 2100 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,2,0,0,0,0|0,0,2]=4 2101 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,2,0,0,0,0|1,0,1]=4 2102 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,2,0,0,0,0|1,0,1]=4 2103 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,2,0,0,0,0|0,0,2]=4 2104 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,2,0,0,0,0|0,0,2]=4 2105 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,2,0,0,0,0|1,0,1]=4 2106 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,2,0,0,0,0|1,0,1]=4 2107 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,2,0,0,0,0|1,0,1]=4 2108 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,2,0,0,0,0|1,0,1]=4 2109 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 2110 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 2111 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 2112 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|1,0,0]=3 2113 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|1,0,0]=3 2114 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|1,0,0]=3 2115 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 2116 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 2117 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|1,0,0]=3 2118 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|1,0,0]=3 2119 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 2120 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|1,0,0]=3 2121 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|1,0,0]=3 2122 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|1,0,0]=3 2123 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|1,0,0]=3 2124 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|1,0,0]=3 2125 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|1,0,0]=3 2126 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|1,0,0]=3 2127 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|1,0,0]=3 2128 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|1,0,0]=3 2129 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,2,0,0,0,0|2,0,0]=4 2130 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,2,0,0,0,0|2,0,0]=4 2131 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,2,0,0,0,0|2,0,0]=4 2132 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,2,0,0,0,0|2,0,0]=4 2133 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,2,0,0,0,0|2,0,0]=4 2134 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,2,0,0,0,0|2,0,0]=4 2135 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,2,0,0,0,0|2,0,0]=4 2136 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|2,0,0]=4 2137 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|2,0,0]=4 2138 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|2,0,0]=4 2139 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|2,0,0]=4 2140 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,2,0,0,0,0|2,0,0]=4 2141 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,2,0,0,0,0|2,0,0]=4 2142 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|1,0,0]=3 2143 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|1,0,0]=3 2144 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|1,0,0]=3 2145 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|1,0,0]=3 2146 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|1,0,0]=3 2147 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 2148 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|1,0,0]=3 2149 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 2150 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,2,0,0,0,0|0,0,2]=4 2151 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,2,0,0,0,0|0,0,2]=4 2152 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|1,0,0]=3 2153 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|1,0,0]=3 2154 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|1,0,0]=3 2155 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|1,0,0]=3 2156 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|2,0,0]=4 2157 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|2,0,0]=4 2158 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|2,0,0]=4 2159 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|2,0,0]=4 2160 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,2,0,0,0,0|1,0,1]=4 2161 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,2,0,0,0,0|1,0,1]=4 2162 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|2,0,0]=4 2163 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|1,0,0]=3 2164 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|1,0,0]=3 2165 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,2,0,0,0,0|1,0,1]=4 2166 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|1,0,0]=3 2167 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|1,0,0]=3 2168 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|1,0,0]=3 2169 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|2,0,0]=4 2170 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|1,0,0]=3 2171 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|1,0,0]=3 2172 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,2,0,0,0,0|1,0,0]=3 2173 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,2,0,0,0,0|1,0,0]=3 2174 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,2,0,0,0,0|1,0,0]=3 2175 B7R0.3 N#CC(F)SCC=O 62a_200000117898_200015260668 [0,2,0,0,0,0|1,0,1]=4 2176 B7R0.3 N#CC(F)SCC=O 62a_200015260668_200000117898 [0,2,0,0,0,0|1,0,1]=4 2177 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,2,0,0,0,0|1,0,1]=4 2178 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,2,0,0,0,0|1,0,1]=4 2179 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,2,0,0,0,0|1,0,0]=3 2180 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|1,0,0]=3 2181 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,2,0,0,0,0|2,0,0]=4 2182 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,2,0,0,0,0|2,0,0]=4 2183 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|2,0,0]=4 2184 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|2,0,0]=4 2185 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,2,0,0,0,0|1,0,1]=4 2186 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|1,0,1]=4 2187 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|2,0,0]=4 2188 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,1]=4 2189 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,1]=4 2190 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|1,0,1]=4 2191 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|1,0,1]=4 2192 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|1,0,1]=4 2193 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|0,0,2]=4 2194 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|0,0,2]=4 2195 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 2196 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 2197 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 2198 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 2199 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 2201 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 2202 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|1,0,1]=4 2203 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|1,0,1]=4 2204 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|1,0,1]=4 2205 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|1,0,0]=3 2206 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 2207 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 2208 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|2,0,0]=4 2209 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|2,0,0]=4 2210 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|2,0,0]=4 2211 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|2,0,0]=4 2212 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|2,0,0]=4 2213 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|2,0,0]=4 2214 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|2,0,0]=4 2215 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,2,0,0,0,0|1,0,0]=3 2216 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 2217 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|1,0,0]=3 2218 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 2219 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 2220 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,2,0,0,0,0|2,0,0]=4 2221 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,2,0,0,0,0|2,0,0]=4 2222 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|0,0,2]=4 2223 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|0,0,2]=4 2224 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|0,0,0]=2 2225 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|0,0,0]=2 2226 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|0,0,0]=2 2227 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 2228 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 2229 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,2,0,0,0,0|2,0,0]=4 2230 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 2231 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 2232 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 2233 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,2,0,0,0,0|1,0,0]=3 2234 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|0,0,0]=2 2235 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|0,0,0]=2 2236 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|1,0,1]=4 2237 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|1,0,1]=4 2238 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|1,0,1]=4 2239 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|1,0,0]=3 2240 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,2,0,0,0,0|1,0,0]=3 2241 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,2,0,0,0,0|1,0,0]=3 2242 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|1,0,0]=3 2243 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,2,0,0,0,0|1,0,0]=3 2244 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,2,0,0,0,0|1,0,0]=3 2245 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|1,0,0]=3 2246 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|1,0,0]=3 2247 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|1,0,0]=3 2248 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|1,0,0]=3 2249 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,2,0,0,0,0|1,0,0]=3 2250 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,2,0,0,0,0|1,0,0]=3 2251 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,2,0,0,0,0|1,0,0]=3 2252 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|1,0,0]=3 2253 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|1,0,0]=3 2254 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|1,0,0]=3 2255 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|1,0,0]=3 2256 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|1,0,0]=3 2257 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,2,0,0,0,0|1,0,0]=3 2258 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,2,0,0,0,0|1,0,0]=3 2259 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|1,0,0]=3 2260 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,2,0,0,0,0|1,0,0]=3 2261 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,2,0,0,0,0|1,0,0]=3 2262 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,2,0,0,0,0|1,0,0]=3 2263 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,2,0,0,0,0|1,0,0]=3 2264 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|1,0,1]=4 2265 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|1,0,0]=3 2266 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|1,0,0]=3 2267 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|2,0,0]=4 2268 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|2,0,0]=4 2269 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,1]=4 2270 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,0]=3 2271 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,0]=3 2272 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 2273 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 2274 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,0]=3 2275 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 2276 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 2277 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 2278 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 2279 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|1,0,1]=4 2280 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|1,0,1]=4 2281 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,0,0]=3 2282 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,0,0]=3 2283 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,2,0,0,0,0|2,0,0]=4 2284 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 2285 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 2286 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,2,0,0,0,0|2,0,0]=4 2287 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,2,0,0,0,0|2,0,0]=4 2288 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,2,0,0,0,0|2,0,0]=4 2289 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,2,0,0,0,0|2,0,0]=4 2290 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,2,0,0,0,0|2,0,0]=4 2291 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,2,0,0,0,0|2,0,0]=4 2292 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|1,0,0]=3 2293 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 2294 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,2,0,0,0,0|1,0,1]=4 2295 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,2,0,0,0,0|1,0,1]=4 2296 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 2297 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 2298 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,2,0,0,0,0|0,0,2]=4 2299 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,2,0,0,0,0|0,0,2]=4 2300 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [0,2,0,0,0,0|1,0,1]=4 2301 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [0,2,0,0,0,0|1,0,1]=4 2302 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [0,2,0,0,0,0|1,0,1]=4 2303 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,1]=4 2304 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|1,0,0]=3 2305 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|1,0,0]=3 2306 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|1,0,1]=4 2307 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|1,0,1]=4 2308 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|1,0,1]=4 2309 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|1,0,1]=4 2310 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|1,0,1]=4 2311 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,2,0,0,0,0|1,0,1]=4 2312 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,2,0,0,0,0|1,0,1]=4 2313 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,2,0,0,0,0|1,0,1]=4 2314 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 2315 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 2316 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 2317 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 2318 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,2,0,0,0,0|0,0,2]=4 2319 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,2,0,0,0,0|0,0,2]=4 2320 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,2,0,0,0,0|1,0,0]=3 2321 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,2,0,0,0,0|1,0,0]=3 2322 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,2,0,0,0,0|1,0,0]=3 2323 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,2,0,0,0,0|1,0,0]=3 2324 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 2325 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 2326 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 2327 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 2328 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 2329 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 2330 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 2331 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 2332 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 2333 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 2334 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 2335 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 2336 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|2,0,0]=4 2337 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|2,0,0]=4 2338 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|1,0,0]=3 2339 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|1,0,0]=3 2340 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|1,0,1]=4 2341 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|1,0,1]=4 2342 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|1,0,1]=4 2343 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|1,0,1]=4 2344 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|1,0,1]=4 2345 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,2,0,0,0,0|1,0,1]=4 2346 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,2,0,0,0,0|1,0,1]=4 2347 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,2,0,0,0,0|1,0,1]=4 2348 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,2,0,0,0,0|1,0,1]=4 2349 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|0,0,2]=4 2350 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|0,0,2]=4 2351 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 2352 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 2353 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|2,0,0]=4 2354 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,2,0,0,0,0|2,0,0]=4 2355 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,2,0,0,0,0|2,0,0]=4 2356 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,2,0,0,0,0|2,0,0]=4 2357 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,2,0,0,0,0|2,0,0]=4 2358 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,2,0,0,0,0|2,0,0]=4 2359 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,2,0,0,0,0|1,0,1]=4 2360 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,2,0,0,0,0|1,0,1]=4 2361 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,2,0,0,0,0|1,0,1]=4 2362 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,2,0,0,0,0|1,0,1]=4 2363 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|0,0,2]=4 2364 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|0,0,2]=4 2365 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|0,0,2]=4 2366 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|0,0,2]=4 2367 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|0,0,2]=4 2368 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,2,0,0,0,0|0,1,1]=4 2369 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,2,0,0,0,0|0,1,1]=4 2370 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,2,0,0,0,0|0,1,1]=4 2371 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,2,0,0,0,0|0,1,1]=4 2372 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,2,0,0,0,0|1,0,1]=4 2373 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,2,0,0,0,0|1,0,1]=4 2374 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,2,0,0,0,0|1,0,1]=4 2375 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 2376 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,0,1]=4 2377 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 2378 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 2379 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 2380 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,2,0,0,0,0|1,0,1]=4 2381 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,2,0,0,0,0|1,0,1]=4 2382 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,2,0,0,0,0|1,0,1]=4 2383 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,2,0,0,0,0|1,0,1]=4 2384 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [0,2,0,0,0,0|1,0,1]=4 2385 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [0,2,0,0,0,0|1,0,1]=4 2386 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [0,2,0,0,0,0|1,0,1]=4 2387 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|0,0,0]=2 2388 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|0,0,0]=2 2389 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,2,0,0,0,0|1,0,1]=4 2390 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,2,0,0,0,0|1,0,1]=4 2391 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,2,0,0,0,0|1,0,1]=4 2392 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,2,0,0,0,0|1,0,1]=4 2393 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,2,0,0,0,0|1,0,1]=4 2394 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,2,0,0,0,0|1,0,1]=4 2395 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,2,0,0,0,0|0,0,2]=4 2396 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,2,0,0,0,0|0,0,2]=4 2397 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,2,0,0,0,0|0,0,2]=4 2398 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,2,0,0,0,0|0,0,2]=4 2399 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,2,0,0,0,0|0,0,2]=4 2400 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,2,0,0,0,0|0,0,2]=4 2401 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 2402 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 2403 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,2,0,0,0,0|2,0,0]=4 2404 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,2,0,0,0,0|2,0,0]=4 2405 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,2,0,0,0,0|1,0,1]=4 2406 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,2,0,0,0,0|1,0,1]=4 2407 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,2,0,0,0,0|0,0,2]=4 2408 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,2,0,0,0,0|0,0,2]=4 2409 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,2,0,0,0,0|0,0,2]=4 2410 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|0,0,2]=4 2411 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,2,0,0,0,0|1,0,1]=4 2412 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|0,0,2]=4 2413 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,2,0,0,0,0|2,0,0]=4 2414 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,2,0,0,0,0|2,0,0]=4 2415 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,2,0,0,0,0|2,0,0]=4 2416 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,2,0,0,0,0|1,0,1]=4 2417 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 2418 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 2419 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,2,0,0,0,0|2,0,0]=4 2420 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,2,0,0,0,0|1,0,1]=4 2421 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|0,0,2]=4 2422 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|2,0,0]=4 2423 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|2,0,0]=4 2424 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,2,0,0,0,0|1,0,1]=4 2425 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,2,0,0,0,0|1,0,1]=4 2426 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|0,0,2]=4 2427 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|0,0,2]=4 2428 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,2,0,0,0,0|2,0,0]=4 2429 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,2,0,0,0,0|2,0,0]=4 2430 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,2,0,0,0,0|1,0,1]=4 2431 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 2432 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 2433 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 2434 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 2435 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,2,0,0,0,0|2,0,0]=4 2436 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,2,0,0,0,0|2,0,0]=4 2437 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,2,0,0,0,0|1,0,1]=4 2438 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,2,0,0,0,0|1,0,1]=4 2439 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,2,0,0,0,0|1,0,1]=4 2440 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|2,0,0]=4 2441 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|2,0,0]=4 2442 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 2443 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 2444 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,2,0,0,0,0|2,0,0]=4 2445 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,2,0,0,0,0|2,0,0]=4 2446 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,2,0,0,0,0|2,0,0]=4 2447 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,2,0,0,0,0|2,0,0]=4 2448 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,2,0,0,0,0|2,0,0]=4 2449 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,2,0,0,0,0|1,0,1]=4 2450 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,2,0,0,0,0|1,0,1]=4 2451 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,2,0,0,0,0|1,0,1]=4 2452 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,2,0,0,0,0|1,0,1]=4 2453 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|1,0,1]=4 2454 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|1,0,1]=4 2455 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,2,0,0,0,0|2,0,0]=4 2456 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|2,0,0]=4 2457 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|2,0,0]=4 2458 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|2,0,0]=4 2459 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|2,0,0]=4 2460 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,2,0,0,0,0|2,0,0]=4 2461 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,2,0,0,0,0|2,0,0]=4 2462 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|2,0,0]=4 2463 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|2,0,0]=4 2464 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2465 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2466 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,2,0,0,0,0|2,0,0]=4 2467 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,2,0,0,0,0|2,0,0]=4 2468 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|2,0,0]=4 2469 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|2,0,0]=4 2470 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|2,0,0]=4 2471 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|2,0,0]=4 2472 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|2,0,0]=4 2473 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|2,0,0]=4 2474 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 2475 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 2476 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 2477 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 2478 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 2479 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 2480 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 2481 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 2482 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,2,0,0,0,0|2,0,0]=4 2483 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,2,0,0,0,0|2,0,0]=4 2484 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,2,0,0,0,0|2,0,0]=4 2485 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|1,0,0]=3 2486 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|1,0,0]=3 2487 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|1,0,0]=3 2488 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|1,0,0]=3 2489 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,2,0,0,0,0|2,0,0]=4 2490 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,2,0,0,0,0|2,0,0]=4 2491 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,2,0,0,0,0|2,0,0]=4 2492 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 2494 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,2,0,0,0,0|2,0,0]=4 2495 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 2496 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,2,0,0,0,0|2,0,0]=4 2497 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,2,0,0,0,0|2,0,0]=4 2498 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,2,0,0,0,0|2,0,0]=4 2499 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,2,0,0,0,0|2,0,0]=4 2500 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,2,0,0,0,0|2,0,0]=4 2501 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 2502 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,2,0,0,0,0|2,0,0]=4 2503 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,2,0,0,0,0|2,0,0]=4 2504 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,2,0,0,0,0|2,0,0]=4 2505 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 2506 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,2,0,0,0,0|2,0,0]=4 2507 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|2,0,0]=4 2508 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|2,0,0]=4 2509 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|2,0,0]=4 2510 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,2,0,0,0,0|2,0,0]=4 2511 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,2,0,0,0,0|2,0,0]=4 2512 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,2,0,0,0,0|2,0,0]=4 2513 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,2,0,0,0,0|2,0,0]=4 2514 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,2,0,0,0,0|2,0,0]=4 2515 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,2,0,0,0,0|2,0,0]=4 2516 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,2,0,0,0,0|2,0,0]=4 2517 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|2,0,0]=4 2518 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|2,0,0]=4 2519 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|2,0,0]=4 2520 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|2,0,0]=4 2521 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|2,0,0]=4 2522 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|2,0,0]=4 2523 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 2524 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 2525 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 2526 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 2527 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,2,0,0,0,0|1,0,1]=4 2528 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,2,0,0,0,0|1,0,1]=4 2529 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,2,0,0,0,0|1,0,1]=4 2530 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,2,0,0,0,0|1,0,1]=4 2531 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 2532 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 2533 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 2534 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 2535 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,2,0,0,0,0|1,0,1]=4 2536 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,2,0,0,0,0|1,0,1]=4 2537 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,2,0,0,0,0|1,0,1]=4 2538 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,2,0,0,0,0|1,0,1]=4 2539 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|0,0,2]=4 2540 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|0,0,2]=4 2541 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|0,0,2]=4 2542 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|0,0,2]=4 2543 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,2,0,0,0,0|1,0,0]=3 2544 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,2,0,0,0,0|1,0,0]=3 2545 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,2,0,0,0,0|1,0,0]=3 2546 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,2,0,0,0,0|1,0,0]=3 2547 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,2,0,0,0,0|1,0,0]=3 2548 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,2,0,0,0,0|1,0,0]=3 2549 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,2,0,0,0,0|1,0,0]=3 2550 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,2,0,0,0,0|1,0,1]=4 2551 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,2,0,0,0,0|1,0,1]=4 2552 B7R0.12 O=CC(C=O)SCF 62a_100000736813_100015361967 [0,2,0,0,0,0|2,0,0]=4 2553 B7R0.12 O=CC(C=O)SCF 62a_100015361967_100000736813 [0,2,0,0,0,0|2,0,0]=4 2554 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,2,0,0,0,0|0,0,1]=3 2555 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,2,0,0,0,0|0,0,1]=3 2556 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,2,0,0,0,0|0,0,1]=3 2557 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [0,2,0,0,0,0|1,0,1]=4 2558 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [0,2,0,0,0,0|1,0,1]=4 2559 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,2,0,0,0,0|0,0,2]=4 2560 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,2,0,0,0,0|0,0,2]=4 2561 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,2,0,0,0,0|0,0,2]=4 2562 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,2,0,0,0,0|0,0,2]=4 2563 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [0,2,0,0,0,0|1,0,1]=4 2564 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [0,2,0,0,0,0|1,0,1]=4 2565 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [0,2,0,0,0,0|1,0,1]=4 2566 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,2,0,0,0,0|1,0,1]=4 2567 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,2,0,0,0,0|1,0,1]=4 2568 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,2,0,0,0,0|1,0,1]=4 2569 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,2,0,0,0,0|1,0,1]=4 2570 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,2,0,0,0,0|0,0,2]=4 2571 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,2,0,0,0,0|0,0,2]=4 2572 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,2,0,0,0,0|0,0,2]=4 2573 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,2,0,0,0,0|0,0,2]=4 2574 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,2,0,0,0,0|1,0,1]=4 2575 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,2,0,0,0,0|1,0,1]=4 2576 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,2,0,0,0,0|1,0,1]=4 2577 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [0,2,0,0,0,0|1,0,1]=4 2578 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [0,2,0,0,0,0|1,0,1]=4 2579 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [0,2,0,0,0,0|1,0,1]=4 2580 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [0,2,0,0,0,0|1,0,1]=4 2581 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,2,0,0,0,0|0,0,2]=4 2582 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,2,0,0,0,0|0,0,2]=4 2583 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,2,0,0,0,0|0,0,2]=4 2584 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,2,0,0,0,0|0,0,2]=4 2585 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,2,0,0,0,0|0,0,2]=4 2586 B7R0.4 C#CCOCC(C)Br 34a_100012180447_100000184674 [0,2,0,0,0,0|1,0,1]=4 2587 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,2,0,0,0,0|1,0,1]=4 2588 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,2,0,0,0,0|1,0,1]=4 2589 B7R0.4 C#CCOCC(C)F 34a_100015925927_100000184674 [0,2,0,0,0,0|1,0,1]=4 2590 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [0,2,0,0,0,0|1,0,1]=4 2591 B7R0.4 C#CCOC[C@@H](C)Cl 34a_100016084084_100000184674 [0,2,0,0,0,0|1,0,1]=4 2592 B7R0.4 C#CCOC[C@@H](C)N 34a_100000737577_100000184674 [0,2,0,0,0,0|1,0,1]=4 2593 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [0,2,0,0,0,0|1,0,1]=4 2594 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,2,0,0,0,0|0,0,2]=4 2595 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,2,0,0,0,0|0,0,2]=4 2596 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,2,0,0,0,0|1,0,1]=4 2597 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [0,2,0,0,0,0|1,0,1]=4 2598 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [0,2,0,0,0,0|1,0,1]=4 2599 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,2,0,0,0,0|1,0,1]=4 2600 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,2,0,0,0,0|1,0,1]=4 2601 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,2,0,0,0,0|1,0,1]=4 2602 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,2,0,0,0,0|1,0,1]=4 2603 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,2,0,0,0,0|1,0,1]=4 2604 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,2,0,0,0,0|1,0,0]=3 2605 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,2,0,0,0,0|2,0,0]=4 2606 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,2,0,0,0,0|1,0,0]=3 2607 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|1,0,0]=3 2608 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|1,0,0]=3 2609 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,2,0,0,0,0|2,0,0]=4 2610 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|1,0,0]=3 2611 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|1,0,0]=3 2612 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|2,0,0]=4 2613 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|2,0,0]=4 2614 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,2,0,0,0,0|2,0,0]=4 2615 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,2,0,0,0,0|2,0,0]=4 2616 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,2,0,0,0,0|2,0,0]=4 2617 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|0,0,1]=3 2618 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,2,0,0,0,0|2,0,0]=4 2619 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,2,0,0,0,0|1,0,0]=3 2620 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,2,0,0,0,0|1,0,0]=3 2621 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,2,0,0,0,0|2,0,0]=4 2622 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,2,0,0,0,0|2,0,0]=4 2623 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,2,0,0,0,0|2,0,0]=4 2624 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,2,0,0,0,0|2,0,0]=4 2625 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,2,0,0,0,0|0,0,1]=3 2626 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,2,0,0,0,0|0,0,1]=3 2627 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|1,0,0]=3 2628 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|1,0,0]=3 2629 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,2,0,0,0,0|2,0,0]=4 2630 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,2,0,0,0,0|2,0,0]=4 2631 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|2,0,0]=4 2632 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|2,0,0]=4 2633 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|2,0,0]=4 2634 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|2,0,0]=4 2635 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|2,0,0]=4 2636 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|2,0,0]=4 2637 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,2,0,0,0,0|2,0,0]=4 2638 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,2,0,0,0,0|2,0,0]=4 2639 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,2,0,0,0,0|2,0,0]=4 2640 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,2,0,0,0,0|0,0,2]=4 2641 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,2,0,0,0,0|2,0,0]=4 2642 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,2,0,0,0,0|1,0,0]=3 2643 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,2,0,0,0,0|1,0,0]=3 2644 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,2,0,0,0,0|2,0,0]=4 2645 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,2,0,0,0,0|2,0,0]=4 2646 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,2,0,0,0,0|2,0,0]=4 2647 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,2,0,0,0,0|2,0,0]=4 2648 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,2,0,0,0,0|0,0,2]=4 2649 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,2,0,0,0,0|0,0,2]=4 2650 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,2,0,0,0,0|1,0,0]=3 2651 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,2,0,0,0,0|1,0,0]=3 2652 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,2,0,0,0,0|2,0,0]=4 2653 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,2,0,0,0,0|2,0,0]=4 2654 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,2,0,0,0,0|2,0,0]=4 2655 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,2,0,0,0,0|2,0,0]=4 2656 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,2,0,0,0,0|2,0,0]=4 2657 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,2,0,0,0,0|2,0,0]=4 2658 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,2,0,0,0,0|2,0,0]=4 2659 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,2,0,0,0,0|2,0,0]=4 2660 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,2,0,0,0,0|0,0,1]=3 2661 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,2,0,0,0,0|0,0,1]=3 2662 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,2,0,0,0,0|0,0,1]=3 2663 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,2,0,0,0,0|1,0,0]=3 2664 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,2,0,0,0,0|1,0,0]=3 2665 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,2,0,0,0,0|0,0,2]=4 2666 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,2,0,0,0,0|0,0,2]=4 2667 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,2,0,0,0,0|0,0,2]=4 2668 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,2,0,0,0,0|0,0,2]=4 2669 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,2,0,0,0,0|1,0,0]=3 2670 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,2,0,0,0,0|1,0,0]=3 2671 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,2,0,0,0,0|1,0,0]=3 2672 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,2,0,0,0,0|1,0,0]=3 2673 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,2,0,0,0,0|1,0,0]=3 2674 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,2,0,0,0,0|1,0,0]=3 2675 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,2,0,0,0,0|1,0,0]=3 2676 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,2,0,0,0,0|1,0,1]=4 2677 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,2,0,0,0,0|0,0,2]=4 2678 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,2,0,0,0,0|0,0,2]=4 2679 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,2,0,0,0,0|0,0,2]=4 2680 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,2,0,0,0,0|1,0,0]=3 2681 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,2,0,0,0,0|1,0,0]=3 2682 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,2,0,0,0,0|1,0,0]=3 2683 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,2,0,0,0,0|1,0,0]=3 2684 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,2,0,0,0,0|1,0,0]=3 2685 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,2,0,0,0,0|1,0,0]=3 2686 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,2,0,0,0,0|1,0,0]=3 2687 B7R0.4 C=CCNCC(F)F 2230a_100020586998_100011934356 [0,2,0,0,0,0|2,0,0]=4 2688 B7R0.4 C=CCNCC(F)F 34a_100000765723_100015514636 [0,2,0,0,0,0|2,0,0]=4 2689 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,2,0,0,0,0|1,0,0]=3 2690 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,2,0,0,0,0|1,0,1]=4 2691 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,2,0,0,0,0|1,0,1]=4 2692 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,2,0,0,0,0|0,0,2]=4 2693 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,2,0,0,0,0|0,0,2]=4 2694 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,2,0,0,0,0|0,0,2]=4 2695 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,2,0,0,0,0|1,0,0]=3 2696 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,2,0,0,0,0|1,0,0]=3 2697 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,2,0,0,0,0|1,0,0]=3 2698 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,2,0,0,0,0|1,0,0]=3 2699 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,2,0,0,0,0|1,0,0]=3 2700 B7R0.4 C=CCOCC(F)F 34a_100000743014_100015514636 [0,2,0,0,0,0|2,0,0]=4 2701 B7R0.4 C=CCOCC(F)F 34a_200000210373_100011934356 [0,2,0,0,0,0|2,0,0]=4 2702 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,2,0,0,0,0|1,0,0]=3 2703 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,2,0,0,0,0|1,0,0]=3 2704 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,2,0,0,0,0|1,0,0]=3 2705 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,2,0,0,0,0|1,0,1]=4 2706 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,2,0,0,0,0|1,0,1]=4 2707 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,2,0,0,0,0|0,0,2]=4 2708 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,2,0,0,0,0|0,0,2]=4 2709 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,2,0,0,0,0|0,0,2]=4 2710 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,2,0,0,0,0|0,0,2]=4 2711 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,2,0,0,0,0|0,0,2]=4 2712 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,2,0,0,0,0|0,0,2]=4 2713 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,2,0,0,0,0|1,0,0]=3 2714 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,2,0,0,0,0|1,0,0]=3 2715 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,2,0,0,0,0|1,0,0]=3 2716 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,2,0,0,0,0|1,0,0]=3 2717 B7R0.4 C=CCSCC(F)F 62a_100000210623_100011934356 [0,2,0,0,0,0|2,0,0]=4 2718 B7R0.4 C=CCSCC(F)F 62a_100011934356_100000210623 [0,2,0,0,0,0|2,0,0]=4 2719 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,2,0,0,0,0|1,0,0]=3 2720 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,2,0,0,0,0|1,0,0]=3 2721 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|0,0,2]=4 2722 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 2723 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 2724 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,2,0,0,0,0|0,0,2]=4 2725 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,2,0,0,0,0|0,0,2]=4 2726 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,2,0,0,0,0|0,0,2]=4 2727 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|1,0,1]=4 2728 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|1,0,1]=4 2729 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,2,0,0,0,0|0,0,2]=4 2730 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,2,0,0,0,0|0,0,1]=3 2731 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,2,0,0,0,0|0,0,1]=3 2732 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,2,0,0,0,0|0,0,0]=2 2733 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|0,0,0]=2 2734 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|0,0,0]=2 2735 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|0,0,0]=2 2736 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|0,0,0]=2 2737 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,2,0,0,0,0|0,0,0]=2 2738 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,2,0,0,0,0|0,0,0]=2 2739 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,2,0,0,0,0|2,0,0]=4 2740 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|1,0,0]=3 2741 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|1,0,0]=3 2742 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|1,0,0]=3 2743 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|1,0,0]=3 2744 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|0,0,1]=3 2745 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,2,0,0,0,0|1,0,0]=3 2746 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|1,0,0]=3 2747 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|1,0,0]=3 2748 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,2,0,0,0,0|1,0,1]=4 2749 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 2750 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 2751 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 2752 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,2,0,0,0,0|1,0,1]=4 2753 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2754 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2755 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,2,0,0,0,0|1,0,0]=3 2756 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,2,0,0,0,0|1,0,0]=3 2757 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,2,0,0,0,0|1,0,0]=3 2758 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,2,0,0,0,0|1,0,0]=3 2759 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,2,0,0,0,0|1,0,0]=3 2760 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|1,0,0]=3 2761 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,2,0,0,0,0|1,0,0]=3 2762 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,2,0,0,0,0|1,0,0]=3 2763 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,2,0,0,0,0|2,0,0]=4 2764 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|1,0,0]=3 2765 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|1,0,0]=3 2766 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,2,0,0,0,0|2,0,0]=4 2767 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,2,0,0,0,0|2,0,0]=4 2768 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,2,0,0,0,0|1,0,1]=4 2769 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,2,0,0,0,0|0,0,0]=2 2770 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,2,0,0,0,0|1,0,1]=4 2771 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,2,0,0,0,0|0,0,2]=4 2772 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,2,0,0,0,0|1,0,1]=4 2773 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,2,0,0,0,0|1,0,1]=4 2774 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,2,0,0,0,0|0,0,2]=4 2775 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,2,0,0,0,0|0,0,2]=4 2776 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,2,0,0,0,0|0,1,1]=4 2777 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,2,0,0,0,0|0,1,1]=4 2778 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,2,0,0,0,0|1,0,1]=4 2779 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,2,0,0,0,0|1,0,1]=4 2780 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,2,0,0,0,0|1,0,1]=4 2781 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,2,0,0,0,0|1,0,1]=4 2782 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,2,0,0,0,0|1,0,1]=4 2783 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,2,0,0,0,0|0,0,0]=2 2784 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,2,0,0,0,0|0,0,0]=2 2785 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,2,0,0,0,0|1,0,1]=4 2786 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,2,0,0,0,0|1,0,1]=4 2787 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,2,0,0,0,0|1,0,1]=4 2788 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,2,0,0,0,0|0,0,2]=4 2789 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,2,0,0,0,0|0,0,2]=4 2790 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,2,0,0,0,0|0,0,2]=4 2791 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,2,0,0,0,0|0,0,2]=4 2792 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,2,0,0,0,0|0,0,2]=4 2793 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,2,0,0,0,0|0,0,0]=2 2794 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,2,0,0,0,0|1,0,1]=4 2795 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,2,0,0,0,0|1,0,1]=4 2796 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,2,0,0,0,0|1,0,1]=4 2797 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,2,0,0,0,0|0,0,2]=4 2798 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,2,0,0,0,0|1,0,1]=4 2799 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,2,0,0,0,0|1,0,1]=4 2800 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,2,0,0,0,0|0,0,0]=2 2801 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,2,0,0,0,0|0,0,0]=2 2802 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,2,0,0,0,0|1,0,1]=4 2803 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,2,0,0,0,0|1,0,1]=4 2804 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,2,0,0,0,0|0,0,2]=4 2805 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,2,0,0,0,0|0,0,2]=4 2806 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,2,0,0,0,0|1,0,1]=4 2807 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,2,0,0,0,0|1,0,1]=4 2808 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,2,0,0,0,0|1,0,1]=4 2809 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,2,0,0,0,0|1,0,1]=4 2810 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,2,0,0,0,0|1,0,1]=4 2811 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,2,0,0,0,0|0,0,2]=4 2812 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,2,0,0,0,0|0,0,2]=4 2813 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,2,0,0,0,0|2,0,0]=4 2814 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,2,0,0,0,0|1,0,1]=4 2815 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,2,0,0,0,0|1,0,1]=4 2816 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,2,0,0,0,0|1,0,1]=4 2817 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,2,0,0,0,0|1,0,1]=4 2818 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,2,0,0,0,0|1,0,1]=4 2819 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,2,0,0,0,0|0,0,2]=4 2820 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,2,0,0,0,0|2,0,0]=4 2821 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,2,0,0,0,0|2,0,0]=4 2822 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,2,0,0,0,0|2,0,0]=4 2823 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,2,0,0,0,0|2,0,0]=4 2824 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,2,0,0,0,0|2,0,0]=4 2825 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,2,0,0,0,0|2,0,0]=4 2826 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,2,0,0,0,0|2,0,0]=4 2827 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,2,0,0,0,0|1,0,1]=4 2828 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,2,0,0,0,0|1,0,1]=4 2829 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,2,0,0,0,0|1,0,1]=4 2830 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,2,0,0,0,0|1,0,1]=4 2831 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,2,0,0,0,0|0,0,2]=4 2832 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,2,0,0,0,0|0,0,2]=4 2833 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,2,0,0,0,0|2,0,0]=4 2834 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,2,0,0,0,0|2,0,0]=4 2835 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,2,0,0,0,0|2,0,0]=4 2836 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,2,0,0,0,0|2,0,0]=4 2837 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,2,0,0,0,0|2,0,0]=4 2838 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,2,0,0,0,0|2,0,0]=4 2839 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,2,0,0,0,0|0,0,0]=2 2840 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,2,0,0,0,0|1,0,1]=4 2841 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,2,0,0,0,0|0,0,2]=4 2842 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,2,0,0,0,0|0,0,2]=4 2843 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,2,0,0,0,0|0,0,2]=4 2844 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,2,0,0,0,0|1,0,1]=4 2845 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,2,0,0,0,0|1,0,1]=4 2846 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [0,2,0,0,0,0|1,0,1]=4 2847 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,2,0,0,0,0|0,0,0]=2 2848 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|0,0,0]=2 2849 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,2,0,0,0,0|1,0,1]=4 2850 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,2,0,0,0,0|1,0,1]=4 2851 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,2,0,0,0,0|1,0,1]=4 2852 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,2,0,0,0,0|0,0,2]=4 2853 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,2,0,0,0,0|0,0,2]=4 2854 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|0,0,2]=4 2855 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,2,0,0,0,0|0,0,2]=4 2856 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,2,0,0,0,0|1,0,1]=4 2857 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,2,0,0,0,0|1,0,1]=4 2858 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [0,2,0,0,0,0|1,0,1]=4 2859 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [0,2,0,0,0,0|1,0,1]=4 2860 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,2,0,0,0,0|0,0,0]=2 2861 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,2,0,0,0,0|0,0,0]=2 2862 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,2,0,0,0,0|1,0,1]=4 2863 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,2,0,0,0,0|1,0,1]=4 2864 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,2,0,0,0,0|0,0,2]=4 2865 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,2,0,0,0,0|0,0,2]=4 2866 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|0,0,1]=3 2867 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|0,0,1]=3 2868 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|0,0,1]=3 2869 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,2,0,0,0,0|1,0,1]=4 2870 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,2,0,0,0,0|1,0,1]=4 2871 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,2,0,0,0,0|1,0,1]=4 2872 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,2,0,0,0,0|1,0,1]=4 2873 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,2,0,0,0,0|1,0,1]=4 2874 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,2,0,0,0,0|2,0,0]=4 2875 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,2,0,0,0,0|0,0,1]=3 2876 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|1,0,1]=4 2877 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,2,0,0,0,0|0,0,1]=3 2878 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,2,0,0,0,0|0,0,1]=3 2879 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|0,0,1]=3 2880 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|0,0,1]=3 2881 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,2,0,0,0,0|0,0,0]=2 2882 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,2,0,0,0,0|0,0,0]=2 2883 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,2,0,0,0,0|0,0,0]=2 2884 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,2,0,0,0,0|1,0,1]=4 2885 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,2,0,0,0,0|1,0,1]=4 2886 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,2,0,0,0,0|1,0,1]=4 2887 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,2,0,0,0,0|1,0,1]=4 2888 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,2,0,0,0,0|1,0,1]=4 2889 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,2,0,0,0,0|1,0,1]=4 2890 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,2,0,0,0,0|0,0,0]=2 2891 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,2,0,0,0,0|0,0,0]=2 2892 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,2,0,0,0,0|0,0,0]=2 2893 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,2,0,0,0,0|0,0,0]=2 2894 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,2,0,0,0,0|1,0,1]=4 2895 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,2,0,0,0,0|1,0,1]=4 2896 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,2,0,0,0,0|1,0,1]=4 2897 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,2,0,0,0,0|1,0,1]=4 2898 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,2,0,0,0,0|1,0,1]=4 2899 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,2,0,0,0,0|1,0,1]=4 2900 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,2,0,0,0,0|1,0,1]=4 2901 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,2,0,0,0,0|1,0,1]=4 2902 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,2,0,0,0,0|1,0,1]=4 2903 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,2,0,0,0,0|0,0,0]=2 2904 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,2,0,0,0,0|0,0,0]=2 2905 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,2,0,0,0,0|1,0,1]=4 2906 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,2,0,0,0,0|1,0,1]=4 2907 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,2,0,0,0,0|1,0,1]=4 2908 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,2,0,0,0,0|0,0,2]=4 2909 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,2,0,0,0,0|0,0,2]=4 2910 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,2,0,0,0,0|1,0,1]=4 2911 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,2,0,0,0,0|1,0,0]=3 2912 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|0,0,0]=2 2913 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|0,0,0]=2 2914 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,2,0,0,0,0|0,0,0]=2 2915 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|0,0,0]=2 2916 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,2,0,0,0,0|0,0,0]=2 2917 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,2,0,0,0,0|1,0,1]=4 2918 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,2,0,0,0,0|1,0,1]=4 2919 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,2,0,0,0,0|1,0,1]=4 2920 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,2,0,0,0,0|1,0,1]=4 2921 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,2,0,0,0,0|0,0,2]=4 2922 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,2,0,0,0,0|1,0,1]=4 2923 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,2,0,0,0,0|1,0,1]=4 2924 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,2,0,0,0,0|1,0,1]=4 2925 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,2,0,0,0,0|1,0,1]=4 2926 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,2,0,0,0,0|0,0,2]=4 2927 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,2,0,0,0,0|1,0,0]=3 2928 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|0,0,0]=2 2929 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,2,0,0,0,0|0,0,0]=2 2930 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,2,0,0,0,0|0,0,0]=2 2931 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|0,0,0]=2 2932 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,2,0,0,0,0|0,0,0]=2 2933 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,2,0,0,0,0|0,0,0]=2 2934 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,2,0,0,0,0|1,0,1]=4 2935 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,2,0,0,0,0|1,0,1]=4 2936 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,2,0,0,0,0|0,0,2]=4 2937 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,2,0,0,0,0|0,0,2]=4 2938 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,2,0,0,0,0|1,0,1]=4 2939 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,2,0,0,0,0|1,0,1]=4 2940 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,2,0,0,0,0|0,0,2]=4 2941 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,2,0,0,0,0|0,0,2]=4 2942 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,2,0,0,0,0|1,0,0]=3 2943 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,2,0,0,0,0|1,0,1]=4 2944 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,2,0,0,0,0|1,0,1]=4 2945 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,2,0,0,0,0|0,0,0]=2 2946 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,2,0,0,0,0|1,0,1]=4 2947 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,2,0,0,0,0|1,0,1]=4 2948 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,2,0,0,0,0|0,0,2]=4 2949 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,2,0,0,0,0|0,0,2]=4 2950 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,2,0,0,0,0|1,0,0]=3 2951 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|0,0,2]=4 2952 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|0,0,2]=4 2953 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|1,0,1]=4 2954 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|1,0,1]=4 2955 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|0,0,0]=2 2956 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|0,0,0]=2 2957 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|0,0,0]=2 2958 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|0,0,0]=2 2959 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,2,0,0,0,0|0,0,0]=2 2960 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,2,0,0,0,0|0,0,0]=2 2961 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,2,0,0,0,0|0,0,0]=2 2962 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|0,0,0]=2 2963 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,2,0,0,0,0|1,0,1]=4 2964 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,2,0,0,0,0|1,0,1]=4 2965 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,2,0,0,0,0|1,0,1]=4 2966 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,2,0,0,0,0|1,0,1]=4 2967 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,2,0,0,0,0|0,0,2]=4 2968 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,2,0,0,0,0|1,0,1]=4 2969 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,2,0,0,0,0|2,0,0]=4 2970 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,2,0,0,0,0|2,0,0]=4 2971 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,2,0,0,0,0|1,0,1]=4 2972 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,2,0,0,0,0|1,0,0]=3 2973 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|1,0,1]=4 2974 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|1,0,1]=4 2975 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|0,0,0]=2 2976 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|0,0,0]=2 2977 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|0,0,0]=2 2978 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|0,0,0]=2 2979 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,2,0,0,0,0|0,0,0]=2 2980 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,2,0,0,0,0|0,0,0]=2 2981 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|0,0,0]=2 2982 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,2,0,0,0,0|1,0,1]=4 2983 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,2,0,0,0,0|1,0,1]=4 2984 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,2,0,0,0,0|0,0,2]=4 2985 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,2,0,0,0,0|0,0,2]=4 2986 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,2,0,0,0,0|2,0,0]=4 2987 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,2,0,0,0,0|2,0,0]=4 2988 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,2,0,0,0,0|2,0,0]=4 2989 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|1,0,0]=3 2990 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|1,0,0]=3 2991 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,2,0,0,0,0|1,0,1]=4 2992 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,2,0,0,0,0|1,0,1]=4 2993 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,2,0,0,0,0|0,0,0]=2 2994 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,2,0,0,0,0|0,0,0]=2 2995 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,2,0,0,0,0|1,0,1]=4 2996 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,2,0,0,0,0|1,0,1]=4 2997 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,2,0,0,0,0|0,0,2]=4 2998 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,2,0,0,0,0|0,0,2]=4 2999 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,2,0,0,0,0|0,0,2]=4 3000 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,2,0,0,0,0|0,0,2]=4 3001 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,2,0,0,0,0|2,0,0]=4 3002 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,2,0,0,0,0|0,0,2]=4 3003 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,2,0,0,0,0|0,0,2]=4 3004 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|1,0,1]=4 3005 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|1,0,1]=4 3006 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|1,0,1]=4 3007 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,2,0,0,0,0|1,0,1]=4 3008 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,2,0,0,0,0|1,0,1]=4 3009 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,2,0,0,0,0|1,0,1]=4 3010 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,2,0,0,0,0|0,0,0]=2 3011 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,2,0,0,0,0|0,0,0]=2 3012 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,2,0,0,0,0|0,0,0]=2 3013 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,2,0,0,0,0|0,0,0]=2 3014 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,2,0,0,0,0|0,0,0]=2 3015 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,2,0,0,0,0|1,0,1]=4 3016 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,2,0,0,0,0|1,0,1]=4 3017 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,2,0,0,0,0|1,0,1]=4 3018 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,2,0,0,0,0|1,0,1]=4 3019 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,2,0,0,0,0|1,0,1]=4 3020 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,2,0,0,0,0|0,0,2]=4 3021 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,2,0,0,0,0|0,0,2]=4 3022 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,2,0,0,0,0|0,0,2]=4 3023 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,2,0,0,0,0|2,0,0]=4 3024 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,2,0,0,0,0|1,0,0]=3 3025 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,2,0,0,0,0|1,0,0]=3 3026 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,2,0,0,0,0|1,0,0]=3 3027 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,2,0,0,0,0|1,0,0]=3 3028 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,2,0,0,0,0|1,0,0]=3 3029 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,2,0,0,0,0|1,0,0]=3 3030 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,2,0,0,0,0|1,0,0]=3 3031 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,2,0,0,0,0|1,0,0]=3 3032 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,2,0,0,0,0|1,0,0]=3 3033 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,2,0,0,0,0|1,0,0]=3 3034 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,2,0,0,0,0|1,0,0]=3 3035 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,2,0,0,0,0|2,0,0]=4 3036 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,2,0,0,0,0|2,0,0]=4 3037 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,2,0,0,0,0|2,0,0]=4 3038 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,2,0,0,0,0|2,0,0]=4 3039 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,2,0,0,0,0|2,0,0]=4 3040 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3041 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,2,0,0,0,0|2,0,0]=4 3042 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3043 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,2,0,0,0,0|2,0,0]=4 3044 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,2,0,0,0,0|2,0,0]=4 3045 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|0,0,2]=4 3046 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|0,0,2]=4 3047 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|1,0,1]=4 3048 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,2,0,0,0,0|1,0,1]=4 3049 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|0,0,0]=2 3050 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|0,0,0]=2 3051 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|0,0,0]=2 3052 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|0,0,0]=2 3053 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|0,0,0]=2 3054 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,2,0,0,0,0|0,0,0]=2 3055 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|0,0,0]=2 3056 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,2,0,0,0,0|0,0,2]=4 3057 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,2,0,0,0,0|0,0,2]=4 3058 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,2,0,0,0,0|0,0,2]=4 3059 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,2,0,0,0,0|0,0,2]=4 3060 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,2,0,0,0,0|2,0,0]=4 3061 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,2,0,0,0,0|2,0,0]=4 3062 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,2,0,0,0,0|2,0,0]=4 3063 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,2,0,0,0,0|2,0,0]=4 3064 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,2,0,0,0,0|2,0,0]=4 3065 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,2,0,0,0,0|2,0,0]=4 3066 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,2,0,0,0,0|1,0,0]=3 3067 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|1,0,0]=3 3068 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|1,0,0]=3 3069 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|1,0,0]=3 3070 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|1,0,0]=3 3071 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,2,0,0,0,0|1,0,0]=3 3072 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,2,0,0,0,0|2,0,0]=4 3073 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,2,0,0,0,0|2,0,0]=4 3074 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,2,0,0,0,0|2,0,0]=4 3075 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,2,0,0,0,0|2,0,0]=4 3076 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|1,0,0]=3 3077 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,2,0,0,0,0|1,0,0]=3 3078 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,2,0,0,0,0|1,0,0]=3 3079 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,2,0,0,0,0|2,0,0]=4 3080 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,2,0,0,0,0|2,0,0]=4 3081 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,2,0,0,0,0|2,0,0]=4 3082 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,2,0,0,0,0|2,0,0]=4 3083 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,2,0,0,0,0|2,0,0]=4 3084 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,2,0,0,0,0|2,0,0]=4 3085 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,2,0,0,0,0|2,0,0]=4 3086 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,2,0,0,0,0|2,0,0]=4 3087 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,2,0,0,0,0|2,0,0]=4 3088 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,2,0,0,0,0|2,0,0]=4 3089 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,2,0,0,0,0|1,0,0]=3 3090 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,2,0,0,0,0|1,0,0]=3 3091 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,2,0,0,0,0|2,0,0]=4 3092 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,2,0,0,0,0|2,0,0]=4 3093 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,2,0,0,0,0|1,0,0]=3 3094 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,2,0,0,0,0|1,0,0]=3 3095 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,2,0,0,0,0|1,0,0]=3 3096 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,2,0,0,0,0|1,0,0]=3 3097 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,2,0,0,0,0|2,0,0]=4 3098 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,2,0,0,0,0|2,0,0]=4 3099 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,2,0,0,0,0|2,0,0]=4 3100 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,2,0,0,0,0|2,0,0]=4 3101 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,2,0,0,0,0|2,0,0]=4 3102 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,2,0,0,0,0|2,0,0]=4 3103 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,2,0,0,0,0|2,0,0]=4 3104 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,2,0,0,0,0|1,0,0]=3 3105 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|1,0,1]=4 3106 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|1,0,1]=4 3107 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,2,0,0,0,0|1,0,1]=4 3108 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,2,0,0,0,0|1,0,1]=4 3109 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,2,0,0,0,0|0,0,0]=2 3110 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,2,0,0,0,0|0,0,0]=2 3111 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,2,0,0,0,0|0,0,0]=2 3112 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,2,0,0,0,0|0,0,0]=2 3113 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,2,0,0,0,0|0,0,0]=2 3114 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,2,0,0,0,0|0,0,0]=2 3115 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,2,0,0,0,0|0,1,1]=4 3116 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,2,0,0,0,0|0,1,1]=4 3117 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,2,0,0,0,0|0,0,2]=4 3118 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,2,0,0,0,0|0,0,2]=4 3119 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,2,0,0,0,0|2,0,0]=4 3120 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,2,0,0,0,0|1,0,0]=3 3121 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,2,0,0,0,0|1,0,0]=3 3122 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,2,0,0,0,0|1,0,0]=3 3123 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,2,0,0,0,0|1,0,0]=3 3124 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,2,0,0,0,0|1,0,0]=3 3125 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,2,0,0,0,0|1,0,0]=3 3126 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,2,0,0,0,0|1,0,0]=3 3127 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,2,0,0,0,0|1,0,0]=3 3128 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,2,0,0,0,0|2,0,0]=4 3129 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,2,0,0,0,0|2,0,0]=4 3130 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,2,0,0,0,0|2,0,0]=4 3131 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|1,0,0]=3 3132 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|1,0,0]=3 3133 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,2,0,0,0,0|1,0,0]=3 3134 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,2,0,0,0,0|1,0,0]=3 3135 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,2,0,0,0,0|2,0,0]=4 3136 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,2,0,0,0,0|2,0,0]=4 3137 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,2,0,0,0,0|2,0,0]=4 3138 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,2,0,0,0,0|2,0,0]=4 3139 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,2,0,0,0,0|2,0,0]=4 3140 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,2,0,0,0,0|2,0,0]=4 3141 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,2,0,0,0,0|2,0,0]=4 3142 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,2,0,0,0,0|2,0,0]=4 3143 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,2,0,0,0,0|2,0,0]=4 3144 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,2,0,0,0,0|1,0,0]=3 3145 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,2,0,0,0,0|1,0,0]=3 3146 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,2,0,0,0,0|2,0,0]=4 3147 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,2,0,0,0,0|2,0,0]=4 3148 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,2,0,0,0,0|2,0,0]=4 3149 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,2,0,0,0,0|2,0,0]=4 3150 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|1,0,0]=3 3151 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,2,0,0,0,0|2,0,0]=4 3152 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,2,0,0,0,0|2,0,0]=4 3153 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,2,0,0,0,0|2,0,0]=4 3154 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,2,0,0,0,0|2,0,0]=4 3155 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,2,0,0,0,0|2,0,0]=4 3156 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,2,0,0,0,0|1,0,0]=3 3157 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,2,0,0,0,0|1,0,0]=3 3158 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,2,0,0,0,0|1,0,0]=3 3159 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,2,0,0,0,0|1,0,0]=3 3160 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,2,0,0,0,0|2,0,0]=4 3161 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,2,0,0,0,0|2,0,0]=4 3162 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,2,0,0,0,0|2,0,0]=4 3163 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,2,0,0,0,0|2,0,0]=4 3164 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,2,0,0,0,0|2,0,0]=4 3165 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,2,0,0,0,0|2,0,0]=4 3166 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [0,2,0,0,0,0|2,0,0]=4 3167 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,2,0,0,0,0|0,0,0]=2 3168 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,2,0,0,0,0|1,0,1]=4 3169 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,2,0,0,0,0|0,0,2]=4 3170 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,2,0,0,0,0|1,0,1]=4 3171 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,2,0,0,0,0|0,0,0]=2 3172 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,2,0,0,0,0|1,0,1]=4 3173 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,2,0,0,0,0|0,0,2]=4 3174 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,2,0,0,0,0|1,0,1]=4 3175 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,2,0,0,0,0|0,0,2]=4 3176 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,2,0,0,0,0|0,0,2]=4 3177 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,2,0,0,0,0|1,0,1]=4 3178 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,2,0,0,0,0|1,0,1]=4 3179 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [0,2,0,0,0,0|1,0,1]=4 3180 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [0,2,0,0,0,0|1,0,1]=4 3181 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,2,0,0,0,0|0,0,0]=2 3182 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,2,0,0,0,0|0,0,0]=2 3183 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,2,0,0,0,0|1,0,1]=4 3184 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,2,0,0,0,0|1,0,1]=4 3185 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,2,0,0,0,0|0,0,2]=4 3186 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,2,0,0,0,0|0,0,2]=4 3187 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,2,0,0,0,0|1,0,1]=4 3188 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,2,0,0,0,0|1,0,1]=4 3189 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,2,0,0,0,0|1,0,1]=4 3190 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,2,0,0,0,0|1,0,1]=4 3191 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,2,0,0,0,0|1,0,1]=4 3192 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,2,0,0,0,0|1,0,1]=4 3193 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,2,0,0,0,0|1,0,0]=3 3194 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,2,0,0,0,0|1,0,0]=3 3195 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,2,0,0,0,0|1,0,0]=3 3196 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,2,0,0,0,0|1,0,0]=3 3197 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,2,0,0,0,0|1,0,1]=4 3198 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,2,0,0,0,0|1,0,0]=3 3199 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,2,0,0,0,0|1,0,0]=3 3200 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,2,0,0,0,0|1,0,0]=3 3201 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,2,0,0,0,0|1,0,0]=3 3202 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,2,0,0,0,0|1,0,0]=3 3203 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,2,0,0,0,0|1,0,0]=3 3204 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,2,0,0,0,0|1,0,1]=4 3205 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,2,0,0,0,0|1,0,1]=4 3206 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,2,0,0,0,0|1,0,0]=3 3207 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,2,0,0,0,0|1,0,0]=3 3208 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,2,0,0,0,0|1,0,0]=3 3209 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,2,0,0,0,0|1,0,0]=3 3210 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,2,0,0,0,0|1,0,0]=3 3211 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,2,0,0,0,0|1,0,0]=3 3212 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,2,0,0,0,0|2,0,0]=4 3213 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,2,0,0,0,0|1,0,0]=3 3214 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,2,0,0,0,0|1,0,0]=3 3215 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,2,0,0,0,0|2,0,0]=4 3216 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,2,0,0,0,0|1,0,0]=3 3217 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,2,0,0,0,0|1,0,0]=3 3218 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,2,0,0,0,0|1,0,0]=3 3219 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,2,0,0,0,0|1,0,0]=3 3220 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,2,0,0,0,0|1,0,0]=3 3221 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,2,0,0,0,0|1,0,0]=3 3222 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,2,0,0,0,0|1,0,0]=3 3223 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,2,0,0,0,0|1,0,1]=4 3224 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,2,0,0,0,0|1,0,0]=3 3225 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,2,0,0,0,0|1,0,0]=3 3226 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,2,0,0,0,0|1,0,1]=4 3227 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,2,0,0,0,0|1,0,1]=4 3228 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,2,0,0,0,0|1,0,0]=3 3229 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,2,0,0,0,0|1,0,0]=3 3230 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [0,2,0,0,0,0|2,0,0]=4 3231 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,2,0,0,0,0|2,0,0]=4 3232 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,2,0,0,0,0|2,0,0]=4 3233 B7R0.4 O=[N+]([O-])COCCBr 34a_100000211926_100000761209 [0,2,0,0,0,0|2,0,0]=4 3234 B7R0.4 O=[N+]([O-])CSCCF 62a_100011217306_100000761209 [0,2,0,0,0,0|2,0,0]=4 3235 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,2,0,0,0,0|2,0,0]=4 3236 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,2,0,0,0,0|0,0,1]=3 3237 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|0,0,0]=2 3238 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,2,0,0,0,0|2,0,0]=4 3239 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|1,0,0]=3 3240 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,2,0,0,0,0|1,0,1]=4 3241 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,2,0,0,0,0|0,0,0]=2 3242 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,2,0,0,0,0|1,0,0]=3 3243 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,2,0,0,0,0|1,0,0]=3 3244 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,2,0,0,0,0|1,0,0]=3 3245 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,2,0,0,0,0|1,0,0]=3 3246 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,2,0,0,0,0|1,0,1]=4 3247 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,2,0,0,0,0|1,0,1]=4 3248 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,2,0,0,0,0|0,0,0]=2 3249 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,2,0,0,0,0|0,0,0]=2 3250 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,2,0,0,0,0|1,0,0]=3 3251 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,2,0,0,0,0|1,0,0]=3 3252 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,2,0,0,0,0|1,0,0]=3 3253 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,2,0,0,0,0|1,0,0]=3 3254 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|0,0,1]=3 3255 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|0,0,1]=3 3256 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|0,0,1]=3 3257 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 3258 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 3259 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 3260 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 3261 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 3262 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|1,0,1]=4 3263 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 3264 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,2,0,0,0,0|2,0,0]=4 3265 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,2,0,0,0,0|2,0,0]=4 3266 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,2,0,0,0,0|2,0,0]=4 3267 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|2,0,0]=4 3268 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|2,0,0]=4 3269 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,2,0,0,0,0|2,0,0]=4 3270 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,2,0,0,0,0|2,0,0]=4 3271 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,2,0,0,0,0|2,0,0]=4 3272 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,2,0,0,0,0|2,0,0]=4 3273 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,2,0,0,0,0|2,0,0]=4 3274 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,2,0,0,0,0|2,0,0]=4 3275 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|0,0,2]=4 3276 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|0,0,2]=4 3277 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|0,0,2]=4 3278 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|0,0,2]=4 3279 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|0,0,1]=3 3280 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|0,0,0]=2 3281 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|0,0,0]=2 3282 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|0,0,0]=2 3283 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|1,0,0]=3 3284 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,2,0,0,0,0|1,0,1]=4 3285 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|1,0,0]=3 3286 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|1,0,1]=4 3287 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|1,0,1]=4 3288 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|1,0,1]=4 3289 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|1,0,0]=3 3290 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|1,0,0]=3 3291 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,2,0,0,0,0|2,0,0]=4 3292 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|1,0,1]=4 3293 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|1,0,0]=3 3294 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,2,0,0,0,0|2,0,0]=4 3295 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 3296 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 3297 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 3298 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|1,0,1]=4 3299 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 3300 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 3301 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,2,0,0,0,0|1,0,0]=3 3302 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,2,0,0,0,0|1,0,0]=3 3303 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|1,0,0]=3 3304 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|1,0,0]=3 3305 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|1,0,0]=3 3306 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 3307 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 3308 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 3309 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,2,0,0,0,0|2,0,0]=4 3310 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,2,0,0,0,0|2,0,0]=4 3311 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|1,0,1]=4 3312 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|2,0,0]=4 3313 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|1,0,1]=4 3314 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|0,0,2]=4 3315 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|0,0,0]=2 3316 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,2,0,0,0,0|2,0,0]=4 3317 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,2,0,0,0,0|2,0,0]=4 3318 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,2,0,0,0,0|2,0,0]=4 3319 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,2,0,0,0,0|2,0,0]=4 3320 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,2,0,0,0,0|2,0,0]=4 3321 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,2,0,0,0,0|2,0,0]=4 3322 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,2,0,0,0,0|1,0,0]=3 3323 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,2,0,0,0,0|1,0,0]=3 3324 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,2,0,0,0,0|1,0,0]=3 3325 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|1,0,0]=3 3326 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,2,0,0,0,0|1,0,0]=3 3327 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,2,0,0,0,0|2,0,0]=4 3328 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,2,0,0,0,0|1,0,0]=3 3329 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|1,0,0]=3 3330 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,2,0,0,0,0|1,0,0]=3 3331 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,2,0,0,0,0|2,0,0]=4 3332 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,2,0,0,0,0|1,0,0]=3 3333 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,2,0,0,0,0|1,0,0]=3 3334 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|1,0,0]=3 3335 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,2,0,0,0,0|1,0,0]=3 3336 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,2,0,0,0,0|1,0,0]=3 3337 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,2,0,0,0,0|2,0,0]=4 3338 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,2,0,0,0,0|2,0,0]=4 3339 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,2,0,0,0,0|2,0,0]=4 3340 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|1,0,0]=3 3341 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|1,0,0]=3 3342 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|1,0,0]=3 3343 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|1,0,0]=3 3344 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|1,0,0]=3 3345 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|0,0,1]=3 3346 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,2,0,0,0,0|1,0,1]=4 3347 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|1,0,1]=4 3348 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,2,0,0,0,0|2,0,0]=4 3349 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,2,0,0,0,0|2,0,0]=4 3350 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,2,0,0,0,0|2,0,0]=4 3351 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,2,0,0,0,0|2,0,0]=4 3352 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,2,0,0,0,0|2,0,0]=4 3353 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,2,0,0,0,0|2,0,0]=4 3354 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [0,2,0,0,0,0|2,0,0]=4 3355 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [0,2,0,0,0,0|2,0,0]=4 3356 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,2,0,0,0,0|2,0,0]=4 3357 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,2,0,0,0,0|2,0,0]=4 3358 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,2,0,0,0,0|2,0,0]=4 3359 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,2,0,0,0,0|2,0,0]=4 3360 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,2,0,0,0,0|1,0,0]=3 3361 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,2,0,0,0,0|1,0,0]=3 3362 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,2,0,0,0,0|1,0,0]=3 3363 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,2,0,0,0,0|1,0,0]=3 3364 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,2,0,0,0,0|1,0,0]=3 3365 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [0,2,0,0,0,0|2,0,0]=4 3366 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,2,0,0,0,0|2,0,0]=4 3367 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,2,0,0,0,0|2,0,0]=4 3368 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,2,0,0,0,0|2,0,0]=4 3369 B7R0.8 CCOCS(=O)(=O)[O-] 34a_100121572206_100009817235 [0,2,0,0,0,0|2,0,0]=4 3370 B7R0.8 CCSCS(=O)(=O)N 62a_100000210202_100000741382 [0,2,0,0,0,0|2,0,0]=4 3371 B7R0.8 CCSCS(=O)(=O)N 62a_100000741382_100000210202 [0,2,0,0,0,0|2,0,0]=4 3372 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100000210202_100009817235 [0,2,0,0,0,0|2,0,0]=4 3373 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100009817235_100000210202 [0,2,0,0,0,0|2,0,0]=4 3374 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,2,0,0,0,0|2,0,0]=4 3375 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,2,0,0,0,0|2,0,0]=4 3376 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,2,0,0,0,0|2,0,0]=4 3377 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,2,0,0,0,0|2,0,0]=4 3378 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [0,2,0,0,0,0|2,0,0]=4 3379 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,2,0,0,0,0|2,0,0]=4 3380 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,2,0,0,0,0|2,0,0]=4 3381 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,2,0,0,0,0|2,0,0]=4 3382 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 3383 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,2,0,0,0,0|2,0,0]=4 3384 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 3385 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,2,0,0,0,0|2,0,0]=4 3386 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,2,0,0,0,0|2,0,0]=4 3387 B7R0.8 CNCCS(=O)(=O)N 2230a_100000738205_200000210301 [0,2,0,0,0,0|2,0,0]=4 3388 B7R0.8 CNCCS(=O)(=O)N 34a_100000738205_200000210301 [0,2,0,0,0,0|2,0,0]=4 3389 B7R0.8 CNCCS(=O)(=O)[O-] 2230a_106832991635_100000737633 [0,2,0,0,0,0|2,0,0]=4 3390 B7R0.8 CNCCS(=O)(=O)[O-] 34a_100102657272_100000762736 [0,2,0,0,0,0|2,0,0]=4 3391 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,2,0,0,0,0|2,0,0]=4 3392 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,2,0,0,0,0|2,0,0]=4 3393 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|2,0,0]=4 3394 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,2,0,0,0,0|2,0,0]=4 3395 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,2,0,0,0,0|2,0,0]=4 3396 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,2,0,0,0,0|2,0,0]=4 3397 B7R0.8 COCCS(=O)(=O)N 34a_100012334274_200000210301 [0,2,0,0,0,0|2,0,0]=4 3398 B7R0.8 COCCS(=O)(=O)[O-] 34a_100138415774_100000762736 [0,2,0,0,0,0|2,0,0]=4 3399 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 3400 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 3401 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,2,0,0,0,0|2,0,0]=4 3402 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,2,0,0,0,0|2,0,0]=4 3403 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,2,0,0,0,0|2,0,0]=4 3404 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,2,0,0,0,0|2,0,0]=4 3405 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,2,0,0,0,0|2,0,0]=4 3406 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,2,0,0,0,0|2,0,0]=4 3407 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,2,0,0,0,0|2,0,0]=4 3408 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,2,0,0,0,0|2,0,0]=4 3409 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,2,0,0,0,0|2,0,0]=4 3410 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,2,0,0,0,0|2,0,0]=4 3411 B7R0.8 CSCCS(=O)(=O)[O-] 62a_100000762736_200000210301 [0,2,0,0,0,0|2,0,0]=4 3412 B7R0.8 CSCCS(=O)(=O)[O-] 62a_200000210301_100000762736 [0,2,0,0,0,0|2,0,0]=4 3413 B7R0.8 O=CCSC(F)(F)F 62a_200000243211_200015260668 [0,2,0,0,0,0|2,0,0]=4 3414 B7R0.8 O=CCSC(F)(F)F 62a_200015260668_200103152311 [0,2,0,0,0,0|2,0,0]=4 3415 B7R0.8 [13CH3]NCCS(=O)(=O)N 2230a_100000738205_200025704644 [0,2,0,0,0,0|2,0,0]=4 3416 B7R0.8 [13CH3]NCCS(=O)(=O)N 34a_100000738205_200025704644 [0,2,0,0,0,0|2,0,0]=4 3417 B7R0.8 [13CH3]OCCS(=O)(=O)N 34a_100012334274_200025704644 [0,2,0,0,0,0|2,0,0]=4 3418 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_100000762736_200025704644 [0,2,0,0,0,0|2,0,0]=4 3419 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_200025704644_100000762736 [0,2,0,0,0,0|2,0,0]=4 3420 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,2,0,0,0,0|1,0,1]=4 3421 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,2,0,0,0,0|1,0,1]=4 3422 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,2,0,0,0,0|1,0,1]=4 3423 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,2,0,0,0,0|1,0,1]=4 3424 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,2,0,0,0,0|1,0,1]=4 3425 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,2,0,0,0,0|1,0,1]=4 3426 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,2,0,0,0,0|1,0,1]=4 3427 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,2,0,0,0,0|1,0,1]=4 3428 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,2,0,0,0,0|1,0,1]=4 3429 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,2,0,0,0,0|1,0,1]=4 3430 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,2,0,0,0,0|1,0,1]=4 3431 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,2,0,0,0,0|1,0,1]=4 3432 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,2,0,0,0,0|1,0,1]=4 3433 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,2,0,0,0,0|1,0,1]=4 3434 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,2,0,0,0,0|1,0,1]=4 3435 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,2,0,0,0,0|1,0,1]=4 3436 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,2,0,0,0,0|1,0,1]=4 3437 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,2,0,0,0,0|1,0,1]=4 3438 B7R0.1 C#CCCCNCF 34a_100000718082_100015361967 [0,2,0,0,0,0|1,0,1]=4 3439 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,2,0,0,0,0|1,0,1]=4 3440 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,2,0,0,0,0|1,0,1]=4 3441 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,2,0,0,0,0|1,0,1]=4 3442 B7R0.1 C#CCCCOCF 34a_100000215630_100015361967 [0,2,0,0,0,0|1,0,1]=4 3443 B7R0.1 C#CCCCOCF 7a_100000215630_100015361967 [0,2,0,0,0,0|1,0,1]=4 3444 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,2,0,0,0,0|1,0,1]=4 3445 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,2,0,0,0,0|1,0,1]=4 3446 B7R0.1 C#CCCCSCF 62a_100011215417_100015361967 [0,2,0,0,0,0|1,0,1]=4 3447 B7R0.1 C#CCCCSCF 62a_100015361967_100011215417 [0,2,0,0,0,0|1,0,1]=4 3448 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,2,0,0,0,0|1,0,1]=4 3449 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,2,0,0,0,0|1,0,1]=4 3450 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,2,0,0,0,0|0,0,1]=3 3451 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,2,0,0,0,0|1,0,1]=4 3452 B7R0.1 C#CCCNCCF 34a_100000724931_100000688953 [0,2,0,0,0,0|1,0,1]=4 3453 B7R0.1 C#CCCNCCF 34a_100000755551_100011217306 [0,2,0,0,0,0|1,0,1]=4 3454 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,2,0,0,0,0|1,0,1]=4 3455 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,2,0,0,0,0|1,0,1]=4 3456 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,2,0,0,0,0|1,0,1]=4 3457 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,2,0,0,0,0|1,0,1]=4 3458 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [0,2,0,0,0,0|1,0,1]=4 3459 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,2,0,0,0,0|1,0,1]=4 3460 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,2,0,0,0,0|0,0,1]=3 3461 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [0,2,0,0,0,0|1,0,1]=4 3462 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,2,0,0,0,0|1,0,1]=4 3463 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,2,0,0,0,0|1,0,1]=4 3464 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [0,2,0,0,0,0|1,0,1]=4 3465 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,2,0,0,0,0|1,0,1]=4 3466 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,2,0,0,0,0|1,0,1]=4 3467 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,2,0,0,0,0|1,0,1]=4 3468 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [0,2,0,0,0,0|1,0,1]=4 3469 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [0,2,0,0,0,0|1,0,1]=4 3470 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,2,0,0,0,0|0,0,1]=3 3471 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,2,0,0,0,0|0,0,1]=3 3472 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,2,0,0,0,0|1,0,1]=4 3473 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,2,0,0,0,0|1,0,1]=4 3474 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,2,0,0,0,0|1,0,1]=4 3475 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,2,0,0,0,0|1,0,1]=4 3476 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,2,0,0,0,0|1,0,1]=4 3477 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,2,0,0,0,0|1,0,1]=4 3478 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,2,0,0,0,0|1,0,1]=4 3479 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,2,0,0,0,0|1,0,1]=4 3480 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,2,0,0,0,0|1,0,1]=4 3481 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,2,0,0,0,0|1,0,1]=4 3482 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,2,0,0,0,0|1,0,1]=4 3483 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,2,0,0,0,0|1,0,1]=4 3484 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,2,0,0,0,0|1,0,1]=4 3485 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,2,0,0,0,0|1,0,1]=4 3486 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,2,0,0,0,0|1,0,1]=4 3487 B7R0.1 C#CCNCCCF 2230a_100015189416_100000038162 [0,2,0,0,0,0|1,0,1]=4 3488 B7R0.1 C#CCNCCCF 34a_100000212058_100011934791 [0,2,0,0,0,0|1,0,1]=4 3489 B7R0.1 C#CCNCCCF 34a_100015189416_100000184674 [0,2,0,0,0,0|1,0,1]=4 3490 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,2,0,0,0,0|1,0,1]=4 3491 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [0,2,0,0,0,0|1,0,1]=4 3492 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [0,2,0,0,0,0|1,0,1]=4 3493 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,2,0,0,0,0|1,0,1]=4 3494 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,2,0,0,0,0|1,0,1]=4 3495 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,2,0,0,0,0|1,0,1]=4 3496 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,2,0,0,0,0|1,0,1]=4 3497 B7R0.1 C#CCOCCCBr 34a_100011217188_100000184674 [0,2,0,0,0,0|1,0,1]=4 3498 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,2,0,0,0,0|1,0,1]=4 3499 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,2,0,0,0,0|1,0,1]=4 3500 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,2,0,0,0,0|1,0,1]=4 3501 B7R0.1 C#CCOCCCCl 34a_100000230001_100000184674 [0,2,0,0,0,0|1,0,1]=4 3502 B7R0.1 C#CCOCCCF 34a_100000210247_100011934791 [0,2,0,0,0,0|1,0,1]=4 3503 B7R0.1 C#CCOCCCF 34a_100000759539_100000184674 [0,2,0,0,0,0|1,0,1]=4 3504 B7R0.1 C#CCOCCCN 34a_100000182051_100000184674 [0,2,0,0,0,0|1,0,1]=4 3505 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,2,0,0,0,0|1,0,1]=4 3506 B7R0.1 C#CCOCCNC 2230a_100000700922_200000210301 [0,2,0,0,0,0|1,0,1]=4 3507 B7R0.1 C#CCOCCNC 2230a_106832991635_100010402529 [0,2,0,0,0,0|1,0,1]=4 3508 B7R0.1 C#CCOCCNC 34a_100000700922_200000210301 [0,2,0,0,0,0|1,0,1]=4 3509 B7R0.1 C#CCOCCNC 34a_100102657272_100010402529 [0,2,0,0,0,0|1,0,1]=4 3510 B7R0.1 C#CCOCCNC 7a_106832991635_100010402529 [0,2,0,0,0,0|1,0,1]=4 3511 B7R0.1 C#CCOCCN[13CH3] 2230a_100000700922_200025704644 [0,2,0,0,0,0|1,0,1]=4 3512 B7R0.1 C#CCOCCN[13CH3] 34a_100000700922_200025704644 [0,2,0,0,0,0|1,0,1]=4 3513 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [0,2,0,0,0,0|1,0,1]=4 3514 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [0,2,0,0,0,0|1,0,1]=4 3515 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [0,2,0,0,0,0|1,0,1]=4 3516 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [0,2,0,0,0,0|1,0,1]=4 3517 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [0,2,0,0,0,0|1,0,1]=4 3518 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [0,2,0,0,0,0|1,0,1]=4 3519 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [0,2,0,0,0,0|1,0,1]=4 3520 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [0,2,0,0,0,0|1,0,1]=4 3521 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [0,2,0,0,0,0|1,0,1]=4 3522 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [0,2,0,0,0,0|1,0,1]=4 3523 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [0,2,0,0,0,0|1,0,1]=4 3524 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [0,2,0,0,0,0|1,0,1]=4 3525 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [0,2,0,0,0,0|1,0,1]=4 3526 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [0,2,0,0,0,0|1,0,1]=4 3527 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [0,2,0,0,0,0|1,0,1]=4 3528 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,2,0,0,0,0|1,0,1]=4 3529 B7R0.1 C#CCSCCCF 62a_100000038162_100011934791 [0,2,0,0,0,0|1,0,1]=4 3530 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,2,0,0,0,0|1,0,1]=4 3531 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,2,0,0,0,0|1,0,1]=4 3532 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,2,0,0,0,0|1,0,1]=4 3533 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,2,0,0,0,0|1,0,1]=4 3534 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,2,0,0,0,0|1,0,0]=3 3535 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [0,2,0,0,0,0|1,0,1]=4 3536 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [0,2,0,0,0,0|1,0,1]=4 3537 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,2,0,0,0,0|1,0,1]=4 3538 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,2,0,0,0,0|0,0,1]=3 3539 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [0,2,0,0,0,0|1,0,1]=4 3540 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,2,0,0,0,0|1,0,0]=3 3541 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,2,0,0,0,0|1,0,0]=3 3542 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [0,2,0,0,0,0|1,0,1]=4 3543 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,2,0,0,0,0|1,0,1]=4 3544 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,2,0,0,0,0|1,0,1]=4 3545 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,2,0,0,0,0|1,0,1]=4 3546 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,2,0,0,0,0|0,0,1]=3 3547 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,2,0,0,0,0|0,0,1]=3 3548 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,2,0,0,0,0|1,0,0]=3 3549 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,2,0,0,0,0|1,0,0]=3 3550 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,2,0,0,0,0|1,0,1]=4 3551 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,2,0,0,0,0|1,0,1]=4 3552 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,2,0,0,0,0|1,0,1]=4 3553 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,2,0,0,0,0|1,0,1]=4 3554 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,2,0,0,0,0|1,0,1]=4 3555 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,2,0,0,0,0|1,0,1]=4 3556 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,2,0,0,0,0|1,0,1]=4 3557 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,2,0,0,0,0|1,0,1]=4 3558 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,2,0,0,0,0|1,0,0]=3 3559 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,2,0,0,0,0|1,0,0]=3 3560 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,2,0,0,0,0|1,0,0]=3 3561 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,2,0,0,0,0|1,0,0]=3 3562 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,2,0,0,0,0|1,0,0]=3 3563 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,2,0,0,0,0|1,0,0]=3 3564 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,2,0,0,0,0|1,0,0]=3 3565 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,2,0,0,0,0|1,0,0]=3 3566 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,2,0,0,0,0|1,0,0]=3 3567 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,2,0,0,0,0|1,0,0]=3 3568 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,2,0,0,0,0|1,0,0]=3 3569 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,2,0,0,0,0|1,0,0]=3 3570 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,2,0,0,0,0|1,0,0]=3 3571 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,2,0,0,0,0|1,0,0]=3 3572 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,2,0,0,0,0|1,0,0]=3 3573 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,2,0,0,0,0|1,0,0]=3 3574 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,2,0,0,0,0|1,0,0]=3 3575 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,2,0,0,0,0|1,0,0]=3 3576 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,2,0,0,0,0|1,0,0]=3 3577 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,2,0,0,0,0|1,0,0]=3 3578 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,2,0,0,0,0|1,0,0]=3 3579 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,2,0,0,0,0|1,0,0]=3 3580 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,2,0,0,0,0|1,0,0]=3 3581 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,2,0,0,0,0|1,0,0]=3 3582 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,2,0,0,0,0|1,0,0]=3 3583 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,2,0,0,0,0|1,0,0]=3 3584 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,2,0,0,0,0|1,0,0]=3 3585 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,2,0,0,0,0|1,0,0]=3 3586 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,2,0,0,0,0|1,0,0]=3 3587 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,2,0,0,0,0|1,0,1]=4 3588 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,2,0,0,0,0|1,0,1]=4 3589 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,2,0,0,0,0|1,0,1]=4 3590 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,2,0,0,0,0|0,0,1]=3 3591 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,2,0,0,0,0|1,0,0]=3 3592 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,2,0,0,0,0|1,0,0]=3 3593 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,2,0,0,0,0|1,0,0]=3 3594 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,2,0,0,0,0|1,0,0]=3 3595 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,2,0,0,0,0|1,0,0]=3 3596 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,2,0,0,0,0|1,0,0]=3 3597 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,2,0,0,0,0|1,0,0]=3 3598 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,2,0,0,0,0|1,0,0]=3 3599 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,2,0,0,0,0|1,0,1]=4 3600 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,2,0,0,0,0|1,0,1]=4 3601 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,2,0,0,0,0|0,0,1]=3 3602 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,2,0,0,0,0|1,0,0]=3 3603 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,2,0,0,0,0|1,0,0]=3 3604 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,2,0,0,0,0|1,0,0]=3 3605 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,2,0,0,0,0|1,0,0]=3 3606 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,2,0,0,0,0|1,0,0]=3 3607 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,2,0,0,0,0|1,0,0]=3 3608 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,2,0,0,0,0|1,0,0]=3 3609 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [0,2,0,0,0,0|1,0,1]=4 3610 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [0,2,0,0,0,0|1,0,1]=4 3611 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [0,2,0,0,0,0|1,0,1]=4 3612 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [0,2,0,0,0,0|1,0,1]=4 3613 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,2,0,0,0,0|0,0,1]=3 3614 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,2,0,0,0,0|0,0,1]=3 3615 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,2,0,0,0,0|1,0,0]=3 3616 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,2,0,0,0,0|1,0,0]=3 3617 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,2,0,0,0,0|1,0,0]=3 3618 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,2,0,0,0,0|1,0,0]=3 3619 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,2,0,0,0,0|1,0,0]=3 3620 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,2,0,0,0,0|1,0,0]=3 3621 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,2,0,0,0,0|1,0,0]=3 3622 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,2,0,0,0,0|1,0,0]=3 3623 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,2,0,0,0,0|1,0,0]=3 3624 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,2,0,0,0,0|1,0,0]=3 3625 B7R0.1 C=CCNCC#CC 2230a_100000685387_100000210623 [0,2,0,0,0,0|1,0,1]=4 3626 B7R0.1 C=CCNCC#CC 2230a_100020586998_100000748600 [0,2,0,0,0,0|1,0,1]=4 3627 B7R0.1 C=CCNCC#CC 34a_100000685387_100015514636 [0,2,0,0,0,0|1,0,1]=4 3628 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,2,0,0,0,0|1,0,1]=4 3629 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,2,0,0,0,0|1,0,1]=4 3630 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,2,0,0,0,0|1,0,0]=3 3631 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,2,0,0,0,0|1,0,0]=3 3632 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,2,0,0,0,0|1,0,0]=3 3633 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,2,0,0,0,0|1,0,0]=3 3634 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,2,0,0,0,0|1,0,0]=3 3635 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,2,0,0,0,0|1,0,0]=3 3636 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,2,0,0,0,0|1,0,0]=3 3637 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,2,0,0,0,0|1,0,0]=3 3638 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,2,0,0,0,0|1,0,0]=3 3639 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,2,0,0,0,0|1,0,0]=3 3640 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,2,0,0,0,0|1,0,0]=3 3641 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,2,0,0,0,0|1,0,1]=4 3642 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,2,0,0,0,0|1,0,1]=4 3643 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [0,2,0,0,0,0|1,0,1]=4 3644 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [0,2,0,0,0,0|1,0,1]=4 3645 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,2,0,0,0,0|1,0,1]=4 3646 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,2,0,0,0,0|1,0,0]=3 3647 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,2,0,0,0,0|1,0,0]=3 3648 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,2,0,0,0,0|1,0,0]=3 3649 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,2,0,0,0,0|1,0,0]=3 3650 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,2,0,0,0,0|1,0,0]=3 3651 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,2,0,0,0,0|1,0,0]=3 3652 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,2,0,0,0,0|1,0,0]=3 3653 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,2,0,0,0,0|1,0,0]=3 3654 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,2,0,0,0,0|1,0,0]=3 3655 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,2,0,0,0,0|1,0,0]=3 3656 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,2,0,0,0,0|1,0,0]=3 3657 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,2,0,0,0,0|1,0,0]=3 3658 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,2,0,0,0,0|1,0,0]=3 3659 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,2,0,0,0,0|2,0,0]=4 3660 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,2,0,0,0,0|1,0,0]=3 3661 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,2,0,0,0,0|1,0,0]=3 3662 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,2,0,0,0,0|1,0,0]=3 3663 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,2,0,0,0,0|1,0,0]=3 3664 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,2,0,0,0,0|1,0,0]=3 3665 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,2,0,0,0,0|1,0,1]=4 3666 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,2,0,0,0,0|1,0,1]=4 3667 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [0,2,0,0,0,0|1,0,1]=4 3668 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [0,2,0,0,0,0|1,0,1]=4 3669 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,2,0,0,0,0|1,0,1]=4 3670 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,2,0,0,0,0|1,0,1]=4 3671 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [0,2,0,0,0,0|1,0,1]=4 3672 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [0,2,0,0,0,0|1,0,1]=4 3673 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,2,0,0,0,0|1,0,0]=3 3674 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,2,0,0,0,0|1,0,0]=3 3675 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,2,0,0,0,0|1,0,0]=3 3676 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,2,0,0,0,0|1,0,0]=3 3677 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,2,0,0,0,0|1,0,0]=3 3678 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,2,0,0,0,0|1,0,0]=3 3679 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,2,0,0,0,0|1,0,0]=3 3680 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,2,0,0,0,0|1,0,0]=3 3681 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,2,0,0,0,0|1,0,0]=3 3682 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,2,0,0,0,0|1,0,0]=3 3683 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,2,0,0,0,0|1,0,0]=3 3684 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,2,0,0,0,0|1,0,0]=3 3685 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,2,0,0,0,0|1,0,0]=3 3686 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,2,0,0,0,0|1,0,0]=3 3687 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,2,0,0,0,0|1,0,0]=3 3688 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,2,0,0,0,0|1,0,0]=3 3689 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,2,0,0,0,0|1,0,0]=3 3690 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,2,0,0,0,0|1,0,0]=3 3691 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,2,0,0,0,0|1,0,0]=3 3692 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [0,2,0,0,0,0|2,0,0]=4 3693 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,2,0,0,0,0|1,0,0]=3 3694 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,2,0,0,0,0|1,0,0]=3 3695 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [0,2,0,0,0,0|2,0,0]=4 3696 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [0,2,0,0,0,0|2,0,0]=4 3697 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,2,0,0,0,0|1,0,1]=4 3698 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [0,2,0,0,0,0|0,0,1]=3 3699 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [0,2,0,0,0,0|0,0,1]=3 3700 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,2,0,0,0,0|1,0,1]=4 3701 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,2,0,0,0,0|1,0,1]=4 3702 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,2,0,0,0,0|0,0,1]=3 3703 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,2,0,0,0,0|1,0,1]=4 3704 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,2,0,0,0,0|1,0,1]=4 3705 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,2,0,0,0,0|0,0,1]=3 3706 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,2,0,0,0,0|0,0,1]=3 3707 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,2,0,0,0,0|1,0,1]=4 3708 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,2,0,0,0,0|1,0,1]=4 3709 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,2,0,0,0,0|1,0,1]=4 3710 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,2,0,0,0,0|1,0,1]=4 3711 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,2,0,0,0,0|1,0,1]=4 3712 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,2,0,0,0,0|1,0,1]=4 3713 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,2,0,0,0,0|1,0,1]=4 3714 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,2,0,0,0,0|1,0,1]=4 3715 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,2,0,0,0,0|1,0,1]=4 3716 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,2,0,0,0,0|1,0,1]=4 3717 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,2,0,0,0,0|1,0,1]=4 3718 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,2,0,0,0,0|1,0,1]=4 3719 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,2,0,0,0,0|1,0,1]=4 3720 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,2,0,0,0,0|1,0,1]=4 3721 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,2,0,0,0,0|1,0,1]=4 3722 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,2,0,0,0,0|1,0,1]=4 3723 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,2,0,0,0,0|1,0,1]=4 3724 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,2,0,0,0,0|1,0,1]=4 3725 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,2,0,0,0,0|1,0,1]=4 3726 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,2,0,0,0,0|1,0,1]=4 3727 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,2,0,0,0,0|1,0,1]=4 3728 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3729 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,2,0,0,0,0|1,0,0]=3 3730 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [0,2,0,0,0,0|1,0,1]=4 3731 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,2,0,0,0,0|1,0,1]=4 3732 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,2,0,0,0,0|1,0,1]=4 3733 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [0,2,0,0,0,0|1,0,1]=4 3734 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,2,0,0,0,0|1,0,0]=3 3735 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,2,0,0,0,0|1,0,1]=4 3736 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,2,0,0,0,0|0,0,1]=3 3737 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,2,0,0,0,0|0,0,1]=3 3738 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,2,0,0,0,0|1,0,0]=3 3739 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,2,0,0,0,0|1,0,0]=3 3740 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,2,0,0,0,0|1,0,1]=4 3741 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,2,0,0,0,0|1,0,1]=4 3742 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,2,0,0,0,0|1,0,1]=4 3743 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,2,0,0,0,0|1,0,1]=4 3744 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,2,0,0,0,0|1,0,1]=4 3745 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,2,0,0,0,0|1,0,1]=4 3746 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,2,0,0,0,0|1,0,1]=4 3747 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,2,0,0,0,0|1,0,1]=4 3748 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,2,0,0,0,0|1,0,0]=3 3749 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,2,0,0,0,0|2,0,0]=4 3750 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,2,0,0,0,0|2,0,0]=4 3751 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,2,0,0,0,0|2,0,0]=4 3752 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,2,0,0,0,0|2,0,0]=4 3753 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,2,0,0,0,0|0,0,2]=4 3754 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,2,0,0,0,0|0,0,2]=4 3755 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,2,0,0,0,0|0,0,2]=4 3756 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,2,0,0,0,0|0,0,2]=4 3757 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,2,0,0,0,0|2,0,0]=4 3758 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,2,0,0,0,0|2,0,0]=4 3759 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,2,0,0,0,0|2,0,0]=4 3760 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,2,0,0,0,0|2,0,0]=4 3761 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,2,0,0,0,0|2,0,0]=4 3762 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,2,0,0,0,0|1,0,1]=4 3763 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,2,0,0,0,0|1,0,1]=4 3764 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,2,0,0,0,0|1,0,1]=4 3765 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,2,0,0,0,0|1,0,1]=4 3766 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,2,0,0,0,0|1,0,1]=4 3767 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,2,0,0,0,0|0,0,2]=4 3768 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,2,0,0,0,0|0,0,2]=4 3769 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,2,0,0,0,0|0,0,2]=4 3770 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,2,0,0,0,0|0,0,2]=4 3771 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,2,0,0,0,0|0,0,2]=4 3772 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,2,0,0,0,0|0,1,1]=4 3773 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,2,0,0,0,0|0,1,1]=4 3774 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,2,0,0,0,0|0,1,1]=4 3775 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,2,0,0,0,0|0,1,1]=4 3776 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,2,0,0,0,0|1,0,1]=4 3777 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,2,0,0,0,0|1,0,1]=4 3778 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,2,0,0,0,0|0,0,2]=4 3779 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,2,0,0,0,0|0,0,2]=4 3780 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,2,0,0,0,0|0,0,2]=4 3781 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,2,0,0,0,0|0,0,2]=4 3782 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,2,0,0,0,0|0,0,2]=4 3783 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,2,0,0,0,0|0,1,1]=4 3784 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,2,0,0,0,0|0,1,1]=4 3785 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,2,0,0,0,0|0,1,1]=4 3786 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,2,0,0,0,0|0,1,1]=4 3787 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,2,0,0,0,0|1,0,1]=4 3788 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,2,0,0,0,0|1,0,1]=4 3789 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,2,0,0,0,0|0,0,0]=2 3790 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,2,0,0,0,0|0,0,0]=2 3791 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,2,0,0,0,0|1,0,1]=4 3792 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,2,0,0,0,0|1,0,1]=4 3793 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,2,0,0,0,0|1,0,1]=4 3794 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,2,0,0,0,0|1,0,1]=4 3795 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,2,0,0,0,0|1,0,1]=4 3796 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,2,0,0,0,0|0,0,2]=4 3797 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,2,0,0,0,0|0,0,2]=4 3798 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,2,0,0,0,0|0,0,2]=4 3799 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,2,0,0,0,0|0,0,2]=4 3800 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,2,0,0,0,0|0,0,2]=4 3801 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,2,0,0,0,0|0,1,1]=4 3802 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,2,0,0,0,0|1,0,1]=4 3803 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,2,0,0,0,0|0,0,0]=2 3804 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,2,0,0,0,0|0,0,0]=2 3805 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,2,0,0,0,0|1,0,1]=4 3806 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,2,0,0,0,0|1,0,1]=4 3807 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,2,0,0,0,0|1,0,1]=4 3808 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,2,0,0,0,0|1,0,1]=4 3809 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,2,0,0,0,0|1,0,1]=4 3810 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,2,0,0,0,0|1,0,1]=4 3811 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,2,0,0,0,0|1,0,1]=4 3812 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,2,0,0,0,0|0,0,2]=4 3813 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,2,0,0,0,0|0,0,2]=4 3814 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,2,0,0,0,0|1,0,1]=4 3815 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,2,0,0,0,0|1,0,1]=4 3816 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,2,0,0,0,0|0,0,2]=4 3817 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,2,0,0,0,0|0,1,1]=4 3818 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,2,0,0,0,0|0,1,1]=4 3819 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,2,0,0,0,0|0,1,1]=4 3820 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,2,0,0,0,0|0,1,1]=4 3821 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,2,0,0,0,0|0,1,1]=4 3822 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,2,0,0,0,0|1,0,1]=4 3823 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,2,0,0,0,0|1,0,1]=4 3824 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,2,0,0,0,0|0,0,0]=2 3825 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,2,0,0,0,0|0,0,0]=2 3826 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,2,0,0,0,0|1,0,1]=4 3827 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,2,0,0,0,0|1,0,1]=4 3828 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,2,0,0,0,0|1,0,1]=4 3829 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,2,0,0,0,0|1,0,1]=4 3830 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,2,0,0,0,0|0,0,2]=4 3831 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,2,0,0,0,0|0,0,2]=4 3832 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,2,0,0,0,0|0,0,2]=4 3833 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,2,0,0,0,0|0,0,2]=4 3834 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,2,0,0,0,0|0,1,1]=4 3835 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,2,0,0,0,0|0,1,1]=4 3836 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,2,0,0,0,0|1,0,1]=4 3837 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,2,0,0,0,0|1,0,1]=4 3838 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,2,0,0,0,0|0,0,2]=4 3839 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,2,0,0,0,0|0,1,1]=4 3840 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,2,0,0,0,0|1,0,1]=4 3841 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,2,0,0,0,0|1,0,1]=4 3842 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,2,0,0,0,0|1,0,1]=4 3843 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,2,0,0,0,0|1,0,1]=4 3844 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,2,0,0,0,0|1,0,1]=4 3845 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,2,0,0,0,0|0,0,2]=4 3846 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,2,0,0,0,0|1,0,1]=4 3847 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,2,0,0,0,0|1,0,1]=4 3848 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,2,0,0,0,0|1,0,1]=4 3849 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,2,0,0,0,0|1,0,1]=4 3850 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,2,0,0,0,0|1,0,1]=4 3851 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,2,0,0,0,0|1,0,1]=4 3852 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,2,0,0,0,0|1,0,1]=4 3853 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,2,0,0,0,0|0,0,2]=4 3854 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,2,0,0,0,0|0,0,2]=4 3855 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,2,0,0,0,0|0,0,2]=4 3856 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,2,0,0,0,0|0,0,2]=4 3857 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,2,0,0,0,0|0,0,2]=4 3858 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,2,0,0,0,0|0,0,2]=4 3859 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,2,0,0,0,0|0,0,2]=4 3860 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,2,0,0,0,0|0,0,2]=4 3861 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,2,0,0,0,0|0,1,1]=4 3862 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,2,0,0,0,0|0,1,1]=4 3863 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,2,0,0,0,0|0,1,1]=4 3864 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,2,0,0,0,0|0,1,1]=4 3865 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,2,0,0,0,0|0,1,1]=4 3866 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,2,0,0,0,0|0,1,1]=4 3867 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,2,0,0,0,0|0,1,1]=4 3868 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,2,0,0,0,0|1,0,1]=4 3869 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,2,0,0,0,0|1,0,1]=4 3870 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,2,0,0,0,0|1,0,1]=4 3871 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,2,0,0,0,0|1,0,1]=4 3872 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,2,0,0,0,0|0,0,2]=4 3873 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,2,0,0,0,0|0,0,2]=4 3874 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,2,0,0,0,0|1,0,1]=4 3875 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,2,0,0,0,0|1,0,1]=4 3876 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,2,0,0,0,0|0,0,2]=4 3877 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,2,0,0,0,0|0,0,2]=4 3878 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,2,0,0,0,0|0,0,2]=4 3879 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,2,0,0,0,0|0,0,2]=4 3880 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,2,0,0,0,0|0,0,2]=4 3881 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,2,0,0,0,0|0,0,2]=4 3882 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,2,0,0,0,0|0,1,1]=4 3883 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,2,0,0,0,0|0,1,1]=4 3884 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,2,0,0,0,0|1,0,1]=4 3885 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,2,0,0,0,0|1,0,1]=4 3886 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,2,0,0,0,0|1,0,1]=4 3887 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,2,0,0,0,0|1,0,1]=4 3888 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,2,0,0,0,0|1,0,1]=4 3889 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,2,0,0,0,0|0,0,0]=2 3890 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,2,0,0,0,0|1,0,1]=4 3891 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,2,0,0,0,0|0,0,2]=4 3892 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,2,0,0,0,0|0,0,2]=4 3893 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,2,0,0,0,0|0,0,2]=4 3894 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,2,0,0,0,0|0,0,2]=4 3895 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,2,0,0,0,0|0,0,2]=4 3896 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,2,0,0,0,0|0,1,1]=4 3897 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,2,0,0,0,0|1,0,1]=4 3898 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,2,0,0,0,0|1,0,1]=4 3899 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,2,0,0,0,0|1,0,1]=4 3900 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,2,0,0,0,0|1,0,1]=4 3901 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,2,0,0,0,0|1,0,1]=4 3902 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,2,0,0,0,0|1,0,1]=4 3903 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,2,0,0,0,0|1,0,1]=4 3904 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,2,0,0,0,0|1,0,1]=4 3905 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,2,0,0,0,0|1,0,1]=4 3906 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,2,0,0,0,0|1,0,1]=4 3907 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,2,0,0,0,0|1,0,1]=4 3908 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,2,0,0,0,0|1,0,1]=4 3909 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,2,0,0,0,0|1,0,1]=4 3910 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,2,0,0,0,0|0,0,2]=4 3911 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,2,0,0,0,0|1,0,1]=4 3912 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,2,0,0,0,0|1,0,1]=4 3913 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,2,0,0,0,0|1,0,1]=4 3914 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,2,0,0,0,0|1,0,1]=4 3915 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,2,0,0,0,0|1,0,1]=4 3916 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,2,0,0,0,0|1,0,1]=4 3917 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,2,0,0,0,0|1,0,1]=4 3918 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,2,0,0,0,0|1,0,1]=4 3919 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,2,0,0,0,0|0,0,2]=4 3920 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,2,0,0,0,0|0,0,2]=4 3921 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,2,0,0,0,0|0,0,2]=4 3922 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,2,0,0,0,0|0,0,2]=4 3923 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,2,0,0,0,0|0,0,2]=4 3924 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,2,0,0,0,0|0,0,2]=4 3925 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,2,0,0,0,0|0,0,2]=4 3926 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,2,0,0,0,0|0,1,1]=4 3927 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,2,0,0,0,0|0,1,1]=4 3928 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,2,0,0,0,0|0,1,1]=4 3929 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,2,0,0,0,0|0,1,1]=4 3930 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,2,0,0,0,0|0,1,1]=4 3931 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,2,0,0,0,0|0,1,1]=4 3932 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,2,0,0,0,0|1,0,1]=4 3933 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,2,0,0,0,0|1,0,1]=4 3934 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,2,0,0,0,0|1,0,1]=4 3935 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,2,0,0,0,0|1,0,1]=4 3936 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,2,0,0,0,0|1,0,1]=4 3937 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,2,0,0,0,0|1,0,1]=4 3938 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,2,0,0,0,0|1,0,1]=4 3939 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,2,0,0,0,0|1,0,1]=4 3940 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,2,0,0,0,0|1,0,1]=4 3941 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,2,0,0,0,0|1,0,1]=4 3942 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,2,0,0,0,0|1,0,1]=4 3943 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,2,0,0,0,0|1,0,1]=4 3944 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,2,0,0,0,0|1,0,1]=4 3945 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,2,0,0,0,0|1,0,1]=4 3946 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,2,0,0,0,0|1,0,1]=4 3947 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,2,0,0,0,0|0,0,0]=2 3948 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,2,0,0,0,0|0,0,0]=2 3949 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,2,0,0,0,0|1,0,1]=4 3950 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,2,0,0,0,0|1,0,1]=4 3951 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,2,0,0,0,0|0,0,2]=4 3952 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,2,0,0,0,0|0,0,2]=4 3953 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,2,0,0,0,0|2,0,0]=4 3954 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,2,0,0,0,0|2,0,0]=4 3955 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,2,0,0,0,0|2,0,0]=4 3956 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,2,0,0,0,0|2,0,0]=4 3957 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,2,0,0,0,0|1,0,1]=4 3958 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,2,0,0,0,0|1,0,1]=4 3959 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,2,0,0,0,0|0,0,0]=2 3960 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,2,0,0,0,0|0,0,0]=2 3961 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,2,0,0,0,0|1,0,1]=4 3962 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,2,0,0,0,0|1,0,1]=4 3963 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,2,0,0,0,0|0,0,2]=4 3964 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,2,0,0,0,0|0,0,2]=4 3965 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,2,0,0,0,0|0,0,2]=4 3966 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,2,0,0,0,0|0,0,2]=4 3967 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,2,0,0,0,0|0,0,2]=4 3968 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,2,0,0,0,0|0,0,2]=4 3969 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,2,0,0,0,0|0,0,2]=4 3970 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,2,0,0,0,0|0,0,2]=4 3971 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,2,0,0,0,0|1,0,1]=4 3972 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,2,0,0,0,0|1,0,1]=4 3973 B7R0.1 CCSCCSC#N 62a_100000034367_100000210202 [0,2,0,0,0,0|1,0,1]=4 3974 B7R0.1 CCSCCSC#N 62a_100000210202_100000034367 [0,2,0,0,0,0|1,0,1]=4 3975 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,2,0,0,0,0|1,0,1]=4 3976 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,2,0,0,0,0|1,0,1]=4 3977 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,2,0,0,0,0|1,0,1]=4 3978 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,2,0,0,0,0|1,0,1]=4 3979 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,2,0,0,0,0|1,0,1]=4 3980 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,2,0,0,0,0|1,0,1]=4 3981 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,2,0,0,0,0|0,0,0]=2 3982 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,2,0,0,0,0|0,0,0]=2 3983 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,2,0,0,0,0|1,0,1]=4 3984 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,2,0,0,0,0|1,0,1]=4 3985 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,2,0,0,0,0|1,0,1]=4 3986 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,2,0,0,0,0|0,0,2]=4 3987 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,2,0,0,0,0|0,0,2]=4 3988 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,2,0,0,0,0|0,0,2]=4 3989 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,2,0,0,0,0|0,0,2]=4 3990 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,2,0,0,0,0|0,0,2]=4 3991 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,2,0,0,0,0|0,0,2]=4 3992 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,2,0,0,0,0|0,0,2]=4 3993 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,2,0,0,0,0|0,0,2]=4 3994 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [0,2,0,0,0,0|2,0,0]=4 3995 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,2,0,0,0,0|1,0,1]=4 3996 B7R0.1 CNCCOCC#N 2230a_106832991635_200000047693 [0,2,0,0,0,0|1,0,1]=4 3997 B7R0.1 CNCCOCC#N 7a_106832991635_200000047693 [0,2,0,0,0,0|1,0,1]=4 3998 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,2,0,0,0,0|0,0,2]=4 3999 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,2,0,0,0,0|0,0,2]=4 4000 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,2,0,0,0,0|0,0,2]=4 4001 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,2,0,0,0,0|0,0,2]=4 4002 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,2,0,0,0,0|0,0,2]=4 4003 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,2,0,0,0,0|0,0,2]=4 4004 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,2,0,0,0,0|2,0,0]=4 4005 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,2,0,0,0,0|0,0,2]=4 4006 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,2,0,0,0,0|0,0,2]=4 4007 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,2,0,0,0,0|0,0,2]=4 4008 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,2,0,0,0,0|0,0,2]=4 4009 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,2,0,0,0,0|0,0,2]=4 4010 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,2,0,0,0,0|0,0,2]=4 4011 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,2,0,0,0,0|0,0,2]=4 4012 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,2,0,0,0,0|0,0,2]=4 4013 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,2,0,0,0,0|0,0,2]=4 4014 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,2,0,0,0,0|0,0,2]=4 4015 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,2,0,0,0,0|0,0,2]=4 4016 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,2,0,0,0,0|0,0,2]=4 4017 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,2,0,0,0,0|0,0,2]=4 4018 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,2,0,0,0,0|0,0,2]=4 4019 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,2,0,0,0,0|0,0,2]=4 4020 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,2,0,0,0,0|0,0,2]=4 4021 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,2,0,0,0,0|0,0,2]=4 4022 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,2,0,0,0,0|0,0,2]=4 4023 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,2,0,0,0,0|1,0,1]=4 4024 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,2,0,0,0,0|1,0,1]=4 4025 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,2,0,0,0,0|1,0,1]=4 4026 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,2,0,0,0,0|1,0,1]=4 4027 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [0,2,0,0,0,0|1,0,1]=4 4028 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,2,0,0,0,0|0,0,0]=2 4029 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,2,0,0,0,0|1,0,1]=4 4030 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,2,0,0,0,0|1,0,1]=4 4031 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,2,0,0,0,0|0,0,2]=4 4032 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,2,0,0,0,0|0,0,2]=4 4033 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,2,0,0,0,0|0,0,2]=4 4034 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,2,0,0,0,0|2,0,0]=4 4035 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,2,0,0,0,0|2,0,0]=4 4036 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,2,0,0,0,0|0,0,0]=2 4037 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,2,0,0,0,0|1,0,1]=4 4038 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,2,0,0,0,0|1,0,1]=4 4039 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,2,0,0,0,0|1,0,1]=4 4040 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,2,0,0,0,0|1,0,1]=4 4041 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,2,0,0,0,0|1,0,1]=4 4042 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,2,0,0,0,0|1,0,1]=4 4043 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,2,0,0,0,0|1,0,1]=4 4044 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,2,0,0,0,0|1,0,1]=4 4045 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,2,0,0,0,0|1,0,1]=4 4046 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,2,0,0,0,0|1,0,1]=4 4047 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,2,0,0,0,0|1,0,1]=4 4048 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,2,0,0,0,0|1,0,1]=4 4049 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,2,0,0,0,0|0,0,2]=4 4050 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,2,0,0,0,0|0,0,2]=4 4051 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,2,0,0,0,0|2,0,0]=4 4052 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,2,0,0,0,0|2,0,0]=4 4053 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,2,0,0,0,0|2,0,0]=4 4054 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,2,0,0,0,0|2,0,0]=4 4055 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,2,0,0,0,0|2,0,0]=4 4056 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,2,0,0,0,0|1,0,1]=4 4057 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,2,0,0,0,0|1,0,1]=4 4058 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,2,0,0,0,0|0,0,0]=2 4059 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,2,0,0,0,0|0,0,0]=2 4060 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,2,0,0,0,0|1,0,1]=4 4061 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,2,0,0,0,0|1,0,1]=4 4062 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,2,0,0,0,0|0,0,2]=4 4063 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,2,0,0,0,0|0,0,2]=4 4064 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,2,0,0,0,0|2,0,0]=4 4065 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,2,0,0,0,0|2,0,0]=4 4066 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,2,0,0,0,0|2,0,0]=4 4067 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,2,0,0,0,0|2,0,0]=4 4068 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,2,0,0,0,0|1,0,1]=4 4069 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,2,0,0,0,0|2,0,0]=4 4070 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,2,0,0,0,0|1,0,1]=4 4071 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,2,0,0,0,0|1,0,1]=4 4072 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,2,0,0,0,0|1,0,1]=4 4073 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,2,0,0,0,0|1,0,1]=4 4074 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,2,0,0,0,0|0,0,2]=4 4075 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,2,0,0,0,0|0,0,2]=4 4076 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,2,0,0,0,0|2,0,0]=4 4077 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,2,0,0,0,0|2,0,0]=4 4078 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,2,0,0,0,0|1,0,1]=4 4079 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,2,0,0,0,0|1,0,1]=4 4080 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,2,0,0,0,0|0,0,0]=2 4081 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,2,0,0,0,0|0,0,0]=2 4082 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,2,0,0,0,0|0,1,1]=4 4083 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,2,0,0,0,0|0,1,1]=4 4084 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,2,0,0,0,0|0,0,2]=4 4085 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,2,0,0,0,0|0,0,2]=4 4086 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,2,0,0,0,0|0,0,2]=4 4087 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,2,0,0,0,0|0,0,2]=4 4088 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,2,0,0,0,0|1,0,1]=4 4089 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,2,0,0,0,0|1,0,1]=4 4090 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,2,0,0,0,0|1,0,1]=4 4091 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,2,0,0,0,0|0,0,0]=2 4092 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,2,0,0,0,0|1,0,1]=4 4093 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,2,0,0,0,0|1,0,1]=4 4094 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,2,0,0,0,0|0,0,2]=4 4095 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,2,0,0,0,0|0,0,2]=4 4096 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,2,0,0,0,0|0,0,2]=4 4097 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,2,0,0,0,0|2,0,0]=4 4098 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [0,2,0,0,0,0|1,0,1]=4 4099 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [0,2,0,0,0,0|1,0,1]=4 4100 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [0,2,0,0,0,0|1,0,1]=4 4101 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,2,0,0,0,0|0,0,0]=2 4102 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,2,0,0,0,0|0,0,0]=2 4103 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,2,0,0,0,0|1,0,1]=4 4104 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,2,0,0,0,0|1,0,1]=4 4105 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,2,0,0,0,0|1,0,1]=4 4106 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,2,0,0,0,0|1,0,1]=4 4107 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,2,0,0,0,0|0,0,2]=4 4108 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,2,0,0,0,0|0,0,2]=4 4109 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,2,0,0,0,0|0,0,2]=4 4110 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,2,0,0,0,0|0,0,2]=4 4111 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,2,0,0,0,0|2,0,0]=4 4112 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,2,0,0,0,0|1,0,1]=4 4113 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,2,0,0,0,0|1,0,1]=4 4114 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,2,0,0,0,0|0,0,0]=2 4115 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,2,0,0,0,0|0,0,0]=2 4116 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,2,0,0,0,0|1,0,1]=4 4117 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,2,0,0,0,0|1,0,1]=4 4118 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,2,0,0,0,0|0,0,2]=4 4119 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,2,0,0,0,0|0,0,2]=4 4120 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,2,0,0,0,0|2,0,0]=4 4121 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,2,0,0,0,0|2,0,0]=4 4122 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,2,0,0,0,0|1,0,1]=4 4123 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,2,0,0,0,0|1,0,1]=4 4124 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,2,0,0,0,0|1,0,1]=4 4125 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,2,0,0,0,0|1,0,1]=4 4126 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,2,0,0,0,0|1,0,1]=4 4127 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,2,0,0,0,0|1,0,1]=4 4128 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,2,0,0,0,0|2,0,0]=4 4129 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,2,0,0,0,0|1,0,1]=4 4130 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,2,0,0,0,0|1,0,1]=4 4131 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,2,0,0,0,0|1,0,1]=4 4132 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,2,0,0,0,0|1,0,1]=4 4133 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,2,0,0,0,0|0,0,2]=4 4134 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,2,0,0,0,0|0,0,2]=4 4135 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,2,0,0,0,0|1,0,1]=4 4136 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,2,0,0,0,0|1,0,1]=4 4137 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,2,0,0,0,0|1,0,1]=4 4138 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,2,0,0,0,0|1,0,1]=4 4139 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,2,0,0,0,0|1,0,1]=4 4140 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,2,0,0,0,0|1,0,1]=4 4141 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,2,0,0,0,0|1,0,1]=4 4142 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,2,0,0,0,0|1,0,1]=4 4143 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,2,0,0,0,0|1,0,1]=4 4144 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,2,0,0,0,0|1,0,1]=4 4145 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,2,0,0,0,0|1,0,1]=4 4146 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,2,0,0,0,0|1,0,1]=4 4147 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,2,0,0,0,0|1,0,1]=4 4148 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,2,0,0,0,0|1,0,1]=4 4149 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,2,0,0,0,0|1,0,1]=4 4150 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,2,0,0,0,0|1,0,1]=4 4151 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,2,0,0,0,0|1,0,1]=4 4152 B7R0.1 N#CCCCSCF 62a_100000687738_100015361967 [0,2,0,0,0,0|1,0,1]=4 4153 B7R0.1 N#CCCCSCF 62a_100015361967_100000687738 [0,2,0,0,0,0|1,0,1]=4 4154 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,2,0,0,0,0|1,0,1]=4 4155 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,2,0,0,0,0|0,0,1]=3 4156 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,2,0,0,0,0|0,0,1]=3 4157 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,2,0,0,0,0|1,0,1]=4 4158 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,2,0,0,0,0|1,0,1]=4 4159 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,2,0,0,0,0|1,0,1]=4 4160 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,2,0,0,0,0|1,0,1]=4 4161 B7R0.1 N#CCNCCCF 2230a_100015189416_100011215382 [0,2,0,0,0,0|1,0,1]=4 4162 B7R0.1 N#CCSCCCF 62a_100011215382_100011934791 [0,2,0,0,0,0|1,0,1]=4 4163 B7R0.1 N#CCSCCCF 62a_100011934791_100011215382 [0,2,0,0,0,0|1,0,1]=4 4164 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,2,0,0,0,0|1,0,1]=4 4165 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,2,0,0,0,0|1,0,1]=4 4166 B7R0.1 N#CSCSCC=O 62a_100000211825_200015260668 [0,2,0,0,0,0|1,0,1]=4 4167 B7R0.1 N#CSCSCC=O 62a_200015260668_100000211825 [0,2,0,0,0,0|1,0,1]=4 4168 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,2,0,0,0,0|1,0,1]=4 4169 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,2,0,0,0,0|0,0,0]=2 4170 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,2,0,0,0,0|1,0,1]=4 4171 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,2,0,0,0,0|0,0,2]=4 4172 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,2,0,0,0,0|1,0,1]=4 4173 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,2,0,0,0,0|0,0,2]=4 4174 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,2,0,0,0,0|1,0,0]=3 4175 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,2,0,0,0,0|2,0,0]=4 4176 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,2,0,0,0,0|2,0,0]=4 4177 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,2,0,0,0,0|0,0,0]=2 4178 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,2,0,0,0,0|0,0,0]=2 4179 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,2,0,0,0,0|0,0,0]=2 4180 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,2,0,0,0,0|0,0,0]=2 4181 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,2,0,0,0,0|0,0,0]=2 4182 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,2,0,0,0,0|0,0,0]=2 4183 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,2,0,0,0,0|0,0,0]=2 4184 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,2,0,0,0,0|0,0,0]=2 4185 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,2,0,0,0,0|0,0,0]=2 4186 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,2,0,0,0,0|0,0,0]=2 4187 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,2,0,0,0,0|0,0,0]=2 4188 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,2,0,0,0,0|0,0,2]=4 4189 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,2,0,0,0,0|0,0,2]=4 4190 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,2,0,0,0,0|0,0,2]=4 4191 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,2,0,0,0,0|0,0,2]=4 4192 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,2,0,0,0,0|0,0,2]=4 4193 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,2,0,0,0,0|0,0,2]=4 4194 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,2,0,0,0,0|0,0,2]=4 4195 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,2,0,0,0,0|0,0,2]=4 4196 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,2,0,0,0,0|0,0,2]=4 4197 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,2,0,0,0,0|0,0,2]=4 4198 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,2,0,0,0,0|0,0,2]=4 4199 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,2,0,0,0,0|0,0,2]=4 4200 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,2,0,0,0,0|0,0,2]=4 4201 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,2,0,0,0,0|0,0,2]=4 4202 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,2,0,0,0,0|0,0,2]=4 4203 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,2,0,0,0,0|0,0,2]=4 4204 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,2,0,0,0,0|0,0,2]=4 4205 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,2,0,0,0,0|0,0,2]=4 4206 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,2,0,0,0,0|0,0,2]=4 4207 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,2,0,0,0,0|0,0,2]=4 4208 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,2,0,0,0,0|0,0,2]=4 4209 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,2,0,0,0,0|0,0,2]=4 4210 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [0,2,0,0,0,0|2,0,0]=4 4211 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,2,0,0,0,0|0,0,2]=4 4212 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,2,0,0,0,0|0,0,2]=4 4213 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,2,0,0,0,0|0,0,2]=4 4214 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,2,0,0,0,0|0,0,2]=4 4215 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,2,0,0,0,0|0,0,2]=4 4216 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,2,0,0,0,0|0,0,2]=4 4217 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,2,0,0,0,0|0,0,2]=4 4218 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,2,0,0,0,0|0,0,2]=4 4219 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,2,0,0,0,0|0,0,2]=4 4220 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,2,0,0,0,0|0,0,2]=4 4221 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,2,0,0,0,0|1,0,1]=4 4222 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,2,0,0,0,0|1,0,1]=4 4223 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,2,0,0,0,0|1,0,1]=4 4224 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,2,0,0,0,0|1,0,1]=4 4225 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,2,0,0,0,0|1,0,1]=4 4226 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,2,0,0,0,0|1,0,1]=4 4227 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,2,0,0,0,0|1,0,1]=4 4228 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,2,0,0,0,0|1,0,1]=4 4229 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,2,0,0,0,0|1,0,1]=4 4230 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,2,0,0,0,0|1,0,1]=4 4231 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,2,0,0,0,0|1,0,1]=4 4232 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,2,0,0,0,0|0,0,0]=2 4233 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,2,0,0,0,0|0,0,0]=2 4234 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,2,0,0,0,0|0,1,1]=4 4235 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,2,0,0,0,0|0,1,1]=4 4236 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,2,0,0,0,0|0,0,2]=4 4237 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,2,0,0,0,0|0,0,2]=4 4238 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [0,2,0,0,0,0|1,0,1]=4 4239 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [0,2,0,0,0,0|1,0,1]=4 4240 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,2,0,0,0,0|0,0,2]=4 4241 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,2,0,0,0,0|0,0,2]=4 4242 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,1]=4 4243 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,1]=4 4244 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,1]=4 4245 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,1]=4 4246 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,1]=4 4247 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,1]=4 4248 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,1]=4 4249 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,1]=4 4250 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,1,0,1,0,0|1,0,1]=4 4251 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,1,0,1,0,0|1,0,1]=4 4252 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,1,0,1,0,0|1,0,1]=4 4253 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,1,0,1,0,0|2,0,0]=4 4254 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,1,0,1,0,0|2,0,0]=4 4255 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,1,0,0|1,0,1]=4 4256 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,1,0,0|1,0,1]=4 4257 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,1,0,0|1,0,1]=4 4258 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,1,0,0|1,0,1]=4 4259 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,1,0,0|1,0,1]=4 4260 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,1,0,0|1,0,1]=4 4261 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,1,0,0|1,0,1]=4 4262 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|2,0,0]=4 4263 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|2,0,0]=4 4264 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|2,0,0]=4 4265 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|2,0,0]=4 4266 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|2,0,0]=4 4267 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|2,0,0]=4 4268 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|2,0,0]=4 4269 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|2,0,0]=4 4270 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|0,0,2]=4 4271 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|0,0,2]=4 4272 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|0,0,2]=4 4273 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|0,0,2]=4 4274 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|2,0,0]=4 4275 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|2,0,0]=4 4276 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|2,0,0]=4 4277 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,1,0,0|0,1,1]=4 4278 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,1,0,0|0,1,1]=4 4279 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|2,0,0]=4 4280 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,1,0,1,0,0|1,0,1]=4 4281 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,1,0,0|1,0,1]=4 4282 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,1,0,0|1,0,1]=4 4283 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,1,0,0|1,0,1]=4 4284 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|2,0,0]=4 4285 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|2,0,0]=4 4286 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|2,0,0]=4 4287 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|0,0,2]=4 4288 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|0,0,2]=4 4289 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|0,0,2]=4 4290 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|2,0,0]=4 4291 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|2,0,0]=4 4292 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,1,0,0|0,1,1]=4 4293 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,1,0,0|0,1,1]=4 4294 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|2,0,0]=4 4295 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 4296 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 4297 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,1,0,1,0,0|2,0,0]=4 4298 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,1,0,1,0,0|2,0,0]=4 4299 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,1,0,1,0,0|2,0,0]=4 4300 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|2,0,0]=4 4301 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 4302 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 4303 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 4304 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 4305 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 4306 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 4307 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 4308 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 4309 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,1,0,1,0,0|2,0,0]=4 4310 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,1,0,1,0,0|2,0,0]=4 4311 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,1,0,1,0,0|2,0,0]=4 4312 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|2,0,0]=4 4313 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|1,0,1]=4 4314 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|1,0,1]=4 4315 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|1,0,1]=4 4316 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 4317 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 4318 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 4319 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,1,0,1,0,0|2,0,0]=4 4320 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,1,0,1,0,0|2,0,0]=4 4321 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,1,0,1,0,0|2,0,0]=4 4322 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,1,0,1,0,0|2,0,0]=4 4323 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,1,0,1,0,0|2,0,0]=4 4324 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|1,0,1]=4 4325 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|1,0,1]=4 4326 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|1,0,1]=4 4327 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 4328 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 4329 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 4330 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,1,0,1,0,0|2,0,0]=4 4331 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,1,0,1,0,0|2,0,0]=4 4332 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,1,0,1,0,0|2,0,0]=4 4333 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,1,0,1,0,0|2,0,0]=4 4334 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,1,0,1,0,0|2,0,0]=4 4335 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 4336 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 4337 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 4338 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 4339 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 4340 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 4341 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,1,0,0|1,0,1]=4 4342 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,1,0,0|1,0,1]=4 4343 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,1,0,0|1,0,1]=4 4344 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,1,0,0|1,0,1]=4 4345 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,1,0,0|1,0,1]=4 4346 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,1,0,0|1,0,1]=4 4347 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,1,0,0|1,0,1]=4 4348 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,1,0,0|1,0,1]=4 4349 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,1,0,0|1,0,1]=4 4350 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,1,0,0|1,0,1]=4 4351 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 4352 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 4353 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,1,0,1,0,0|1,0,1]=4 4354 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,1,0,1,0,0|1,0,1]=4 4355 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,1,0,1,0,0|1,0,1]=4 4356 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 4357 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 4358 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,1,0,1,0,0|1,0,0]=3 4359 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,1,0,1,0,0|1,0,1]=4 4360 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,1,0,1,0,0|1,0,1]=4 4361 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,1,0,1,0,0|1,0,1]=4 4362 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,1,0,1,0,0|1,0,1]=4 4363 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,1,0,1,0,0|2,0,0]=4 4364 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,1,0,0|1,0,1]=4 4365 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,1,0,0|1,0,1]=4 4366 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,1,0,0|2,0,0]=4 4367 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,1,0,0|2,0,0]=4 4368 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,1,0,1,0,0|1,0,1]=4 4369 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,1,0,1,0,0|2,0,0]=4 4370 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,1,0,0|1,0,1]=4 4371 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,1,0,0|1,0,1]=4 4372 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,1,0,0|1,0,1]=4 4373 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,1,0,0|1,0,1]=4 4374 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,1,0,0|1,0,1]=4 4375 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,1,0,0|1,0,1]=4 4376 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|0,0,2]=4 4377 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|0,0,2]=4 4378 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|0,0,2]=4 4379 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,1,0,1,0,0|2,0,0]=4 4380 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,1,0,1,0,0|2,0,0]=4 4381 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,1,0,1,0,0|2,0,0]=4 4382 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,1,0,1,0,0|2,0,0]=4 4383 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,1,0,1,0,0|2,0,0]=4 4384 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|0,0,2]=4 4385 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|0,0,2]=4 4386 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,1,0,0|0,0,2]=4 4387 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,1,0,0|0,0,2]=4 4388 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|0,0,2]=4 4389 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|0,0,2]=4 4390 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 4391 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,1,0,0|2,0,0]=4 4392 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,1,0,0|2,0,0]=4 4393 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,1,0,1,0,0|2,0,0]=4 4394 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,1,0,0|0,1,1]=4 4395 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,1,0,0|0,1,1]=4 4396 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|0,0,2]=4 4397 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|0,0,2]=4 4398 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,1,0,1,0,0|2,0,0]=4 4399 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,1,0,1,0,0|2,0,0]=4 4400 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,1,0,1,0,0|2,0,0]=4 4401 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [0,1,0,1,0,0|1,0,1]=4 4402 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,1,0,1,0,0|1,0,1]=4 4403 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,1,0,1,0,0|1,0,1]=4 4404 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,1,0,1,0,0|1,0,1]=4 4405 B7R1.6 N#CCN1CCC1 269982a_100000754969_100011214920 [0,1,0,1,0,0|1,0,1]=4 4406 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,1,0,1,0,0|0,0,0]=2 4407 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,1,0,1,0,0|0,0,2]=4 4408 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,1,0,0|1,0,1]=4 4409 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,1,0,0|1,0,1]=4 4410 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,1,0,1,0,0|2,0,0]=4 4411 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,1,0,1,0,0|2,0,0]=4 4412 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|0,0,2]=4 4413 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|0,0,2]=4 4414 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,1,0,0|0,0,2]=4 4415 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|0,0,2]=4 4416 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 4417 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,1,0,0|2,0,0]=4 4418 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,1,0,0|0,1,1]=4 4419 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,1,0,0|0,1,1]=4 4420 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|0,0,2]=4 4421 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|0,0,2]=4 4422 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,1,0,1,0,0|2,0,0]=4 4423 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,1,0,1,0,0|2,0,0]=4 4424 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,1,0,0|1,0,1]=4 4425 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,1,0,0|1,0,1]=4 4426 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,1,0,0|1,0,1]=4 4427 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,1,0,0|1,0,1]=4 4428 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|0,0,0]=2 4429 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|0,0,0]=2 4430 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|0,0,0]=2 4431 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|0,0,0]=2 4432 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|0,0,0]=2 4433 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|0,0,0]=2 4434 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|0,0,0]=2 4435 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 4436 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 4437 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 4438 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 4439 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 4440 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 4441 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,1,0,1,0,0|2,0,0]=4 4442 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|2,0,0]=4 4443 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|1,0,0]=3 4444 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,1,0,1,0,0|2,0,0]=4 4445 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|2,0,0]=4 4446 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|1,0,0]=3 4447 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 4448 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 4449 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 4450 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 4451 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,1,0,1,0,0|2,0,0]=4 4452 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,1,0,1,0,0|2,0,0]=4 4453 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,1,0,1,0,0|2,0,0]=4 4454 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,1,0,1,0,0|2,0,0]=4 4455 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,1,0,1,0,0|2,0,0]=4 4456 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 4457 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 4458 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,1,0,1,0,0|2,0,0]=4 4459 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4 4460 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4 4461 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 4462 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 4463 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|2,0,0]=4 4464 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|2,0,0]=4 4465 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 4466 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,1,0,1,0,0|2,0,0]=4 4467 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 4468 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|2,0,0]=4 4469 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|2,0,0]=4 4470 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 4471 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 4472 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|2,0,0]=4 4473 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|2,0,0]=4 4474 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 4475 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 4476 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|2,0,0]=4 4477 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|2,0,0]=4 4478 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,1,0,1,0,0|1,0,1]=4 4479 B7R1.7 C#CCNC1CC1 34a_100000212008_100000184674 [0,1,0,1,0,0|1,0,1]=4 4480 B7R1.7 C#CCNC1CC1 34a_100000212058_100000211595 [0,1,0,1,0,0|1,0,1]=4 4481 B7R1.7 C#CCOC1CC1 34a_100000210247_100000211595 [0,1,0,1,0,0|1,0,1]=4 4482 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [0,1,0,1,0,0|1,0,1]=4 4483 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,1,0,1,0,0|1,0,0]=3 4484 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,1,0,1,0,0|1,0,0]=3 4485 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,1,0,1,0,0|1,0,0]=3 4486 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [0,1,0,1,0,0|2,0,0]=4 4487 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,1,0,1,0,0|1,0,1]=4 4488 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,1,0,1,0,0|1,0,1]=4 4489 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,1,0,1,0,0|1,0,1]=4 4490 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,1,0,1,0,0|1,0,1]=4 4491 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,1,0,1,0,0|1,0,1]=4 4492 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,1,0,1,0,0|1,0,1]=4 4493 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,1,0,1,0,0|1,0,1]=4 4494 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,1,0,1,0,0|0,0,2]=4 4495 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,1,0,1,0,0|1,0,1]=4 4496 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,1,0,1,0,0|1,0,1]=4 4497 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,1,0,1,0,0|0,0,2]=4 4498 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,1,0,1,0,0|0,0,2]=4 4499 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,1,0,1,0,0|1,0,1]=4 4500 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,1,0,1,0,0|1,0,1]=4 4501 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,1,0,1,0,0|0,0,2]=4 4502 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,1,0,1,0,0|0,0,2]=4 4503 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,1,0,1,0,0|0,1,1]=4 4504 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,1,0,1,0,0|0,1,1]=4 4505 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,1,0,1,0,0|0,0,2]=4 4506 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,1,0,1,0,0|0,0,2]=4 4507 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,1,0,1,0,0|1,0,1]=4 4508 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,1,0,1,0,0|1,0,1]=4 4509 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,1,0,1,0,0|1,0,1]=4 4510 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,1,0,1,0,0|1,0,1]=4 4511 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,1,0,1,0,0|0,0,2]=4 4512 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,1,0,1,0,0|0,0,2]=4 4513 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,1,0,1,0,0|0,0,2]=4 4514 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,1,0,1,0,0|0,0,2]=4 4515 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,1,0,1,0,0|0,0,2]=4 4516 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,1,0,1,0,0|0,0,2]=4 4517 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,1,0,1,0,0|0,0,2]=4 4518 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,1,0,1,0,0|0,0,2]=4 4519 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,1,0,1,0,0|2,0,0]=4 4520 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,1,0,1,0,0|0,1,1]=4 4521 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,1,0,1,0,0|0,1,1]=4 4522 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,1,0,1,0,0|0,0,2]=4 4523 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,1,0,1,0,0|0,0,2]=4 4524 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,1,0,1,0,0|2,0,0]=4 4525 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,1,0,1,0,0|2,0,0]=4 4526 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,1,0,1,0,0|1,0,1]=4 4527 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,1,0,1,0,0|1,0,1]=4 4528 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,1,0,1,0,0|1,0,1]=4 4529 B7R1.7 FCNCC1CC1 34a_100000735609_100015361967 [0,1,0,1,0,0|1,0,1]=4 4530 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [0,1,0,1,0,0|1,0,1]=4 4531 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [0,1,0,1,0,0|1,0,1]=4 4532 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [0,1,0,1,0,0|1,0,1]=4 4533 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [0,1,0,1,0,0|1,0,1]=4 4534 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,1,0,1,0,0|1,0,1]=4 4535 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,1,0,1,0,0|0,0,0]=2 4536 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,1,0,1,0,0|0,0,0]=2 4537 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,1,0,1,0,0|0,0,2]=4 4538 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,1,0,1,0,0|0,0,2]=4 4539 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,1,0,1,0,0|0,0,2]=4 4540 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,1,0,1,0,0|1,0,1]=4 4541 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,1,0,1,0,0|0,0,2]=4 4542 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,1,0,1,0,0|0,0,2]=4 4543 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,1,0,1,0,0|0,0,2]=4 4544 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,1,0,1,0,0|0,1,1]=4 4545 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,1,0,1,0,0|0,1,1]=4 4546 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,1,0,1,0,0|0,0,2]=4 4547 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,1,0,1,0,0|0,0,2]=4 4548 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|0,0,0]=2 4549 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|1,0,0]=3 4550 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|0,0,0]=2 4551 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|1,0,0]=3 4552 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|0,0,0]=2 4553 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|0,0,0]=2 4554 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,0]=3 4555 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,0]=3 4556 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,0]=3 4557 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 4558 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 4559 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,1,0,1,0,0|1,0,0]=3 4560 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 4561 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 4562 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,1,0,1,0,0|2,0,0]=4 4563 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,1,0,1,0,0|2,0,0]=4 4564 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 4565 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 4566 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 4567 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 4568 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|0,0,0]=2 4569 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,0]=3 4570 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,0]=3 4571 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|0,0,0]=2 4572 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|0,0,0]=2 4573 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|1,0,0]=3 4574 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|1,0,0]=3 4575 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|1,0,0]=3 4576 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 4577 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 4578 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,1,0,1,0,0|1,0,0]=3 4579 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,1,0,1,0,0|2,0,0]=4 4580 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,1,0,1,0,0|2,0,0]=4 4581 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,1,0,1,0,0|2,0,0]=4 4582 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,1,0,1,0,0|2,0,0]=4 4583 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,1,0,1,0,0|2,0,0]=4 4584 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,1,0,1,0,0|2,0,0]=4 4585 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|0,0,0]=2