0 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,0,0,0,0,0|1,0,2]=3 67 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,0,0,0,0,0|1,0,2]=3 68 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,0,0,0,0,0|1,0,2]=3 69 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,0,0,0,0,0|1,0,2]=3 70 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,0,0,0,0,0|2,0,2]=4 73 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,0,0,0,0,0|2,0,2]=4 74 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,0,0,0,0,0|2,0,2]=4 75 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,0,0,0,0,0|2,0,2]=4 76 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,0,0,0,0,0|2,0,2]=4 77 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,0,0,0,0,0|1,0,3]=4 78 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,0,0,0,0,0|1,0,3]=4 79 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,0,0,0,0,0|1,0,3]=4 80 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,0,0,0,0,0|3,0,1]=4 83 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,0,0,0,0,0|3,0,1]=4 88 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,0,0,0,0,0|2,0,2]=4 89 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,0,0,0,0,0|2,0,2]=4 92 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,0,0,0,0,0|2,0,2]=4 93 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,0,0,0,0,0|1,0,3]=4 94 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.2 COCCON 34a_100000700252_200000210301 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,0,0,0,0,0|3,0,1]=4 100 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,0,0,0,0,0|3,0,1]=4 103 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,0,0,0,0,0|3,0,1]=4 104 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,0,0,0,0,0|3,0,1]=4 105 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,0,0,0,0,0|3,0,1]=4 106 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,0,0,0,0,0|2,0,2]=4 107 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,0,0,0,0,0|2,0,2]=4 108 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,0,0,0,0,0|2,0,2]=4 109 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,0,0,0,0,0|2,0,2]=4 110 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,0,0,0,0,0|1,0,3]=4 111 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,0,0,0,0,0|1,0,3]=4 112 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,0,0,0,0,0|3,0,1]=4 113 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,0,0,0,0,0|3,0,1]=4 114 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,0,0,0,0,0|3,0,1]=4 115 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,0,0,0,0,0|3,0,1]=4 116 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,0,0,0,0,0|3,0,1]=4 117 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,0,0,0,0,0|3,0,1]=4 118 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,0,0,0,0,0|3,0,1]=4 119 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,0,0,0,0,0|2,0,1]=3 120 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,0,0,0,0,0|2,0,1]=3 121 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,0,0,0,0,0|2,0,2]=4 122 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,0,0,0,0,0|2,0,2]=4 123 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,0,0,0,0,0|2,0,2]=4 124 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,0,0,0,0,0|2,0,2]=4 125 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,0,0,0,0,0|2,0,2]=4 126 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,0,0,0,0,0|2,0,2]=4 127 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,0,0,0,0,0|3,0,1]=4 128 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,0,0,0,0,0|2,0,2]=4 129 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,0,0,0,0,0|2,0,2]=4 130 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,0,0,0,0,0|2,0,2]=4 131 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,0,0,0,0,0|2,0,2]=4 132 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,0,0,0,0,0|1,0,3]=4 133 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,0,0,0,0,0|1,0,3]=4 134 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|1,0,1]=3 136 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|1,0,1]=3 142 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|1,0,2]=4 148 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|1,0,2]=4 150 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|1,0,2]=4 151 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|1,0,2]=4 152 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|1,0,2]=4 156 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 157 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 159 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,2]=4 164 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,2]=4 166 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 168 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,1]=3 169 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,2]=4 173 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,1]=3 174 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,2]=4 178 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,2]=4 181 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,1]=3 185 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,1]=3 186 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,2]=4 190 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,1,0,0,0,0|1,0,2]=4 192 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,1,0,0,0,0|1,0,2]=4 193 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|0,0,3]=4 196 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|2,0,0]=3 211 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|1,0,2]=4 214 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|1,0,2]=4 216 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|0,0,3]=4 217 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|1,0,2]=4 233 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|1,0,2]=4 234 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|0,0,2]=3 235 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|0,0,2]=3 236 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|0,0,2]=3 237 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|1,0,2]=4 240 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|1,0,2]=4 241 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|0,0,2]=3 242 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|2,0,1]=4 260 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|0,0,2]=3 271 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|0,0,2]=3 272 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|0,0,0]=1 273 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|0,0,0]=1 274 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|0,0,0]=1 275 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|1,0,0]=2 282 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|1,0,0]=2 283 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|1,0,0]=2 284 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|0,0,3]=4 292 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|1,0,1]=3 293 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|1,0,1]=3 294 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,0,1]=3 296 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|1,0,2]=4 315 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|0,0,2]=3 317 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|0,0,2]=3 318 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|0,0,2]=3 319 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|0,0,2]=3 321 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|0,0,2]=3 322 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|0,0,2]=3 323 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 324 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 325 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 326 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|1,0,2]=4 327 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|1,0,2]=4 328 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|1,0,2]=4 329 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|1,0,2]=4 330 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|1,0,2]=4 331 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|1,0,2]=4 333 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|1,0,2]=4 334 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|1,0,2]=4 336 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|1,0,2]=4 337 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|1,0,2]=4 338 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|1,0,2]=4 339 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|1,0,2]=4 341 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|1,0,1]=3 343 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|1,0,1]=3 344 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|1,0,1]=3 345 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,1]=3 348 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,1]=3 349 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,1]=3 350 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,1]=3 351 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|1,0,1]=3 352 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|1,0,1]=3 353 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|1,0,1]=3 354 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,0,1]=3 357 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,0,1]=3 358 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,0,1]=3 359 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,0,1]=3 360 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|1,0,1]=3 361 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|1,0,1]=3 362 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,0,1]=3 363 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,0,1]=4 364 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|1,0,1]=3 371 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|1,0,1]=3 373 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|1,0,1]=3 374 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|1,0,1]=3 375 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|1,0,1]=3 376 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [0,1,0,0,0,0|1,0,1]=3 377 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [0,1,0,0,0,0|1,0,1]=3 378 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,1,0,0,0,0|0,0,2]=3 379 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [0,1,0,0,0,0|1,0,1]=3 380 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [0,1,0,0,0,0|1,0,1]=3 381 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,1,0,0,0,0|0,0,2]=3 382 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [0,1,0,0,0,0|1,0,1]=3 383 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,1,0,0,0,0|0,0,2]=3 384 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,1,0,0,0,0|2,0,1]=4 393 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,1,0,0,0,0|1,0,1]=3 394 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,1,0,0,0,0|1,0,1]=3 395 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,1,0,0,0,0|1,0,1]=3 396 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,1,0,0,0,0|1,0,1]=3 397 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,1,0,0,0,0|1,0,1]=3 398 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,1,0,0,0,0|1,0,1]=3 399 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,1,0,0,0,0|1,0,1]=3 400 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,1,0,0,0,0|0,0,2]=3 401 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,1,0,0,0,0|0,0,2]=3 402 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,1,0,0,0,0|0,0,2]=3 403 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,1,0,0,0,0|0,0,2]=3 404 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,1,0,0,0,0|0,0,2]=3 405 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,1,0,0,0,0|0,1,1]=3 406 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,1,0,0,0,0|0,1,1]=3 407 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,1,0,0,0,0|0,1,1]=3 408 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,1,0,0,0,0|0,1,1]=3 409 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,1,0,0,0,0|1,0,1]=3 410 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,1,0,0,0,0|1,0,1]=3 411 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,1,0,0,0,0|1,0,1]=3 412 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,1,0,0,0,0|1,0,1]=3 413 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,1,0,0,0,0|1,0,1]=3 414 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,1,0,0,0,0|1,0,1]=3 415 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,1,0,0,0,0|1,0,1]=3 416 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,1,0,0,0,0|1,0,1]=3 417 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,1,0,0,0,0|1,0,1]=3 418 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [0,1,0,0,0,0|1,0,1]=3 419 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [0,1,0,0,0,0|1,0,0]=2 420 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,1,0,0,0,0|0,0,0]=1 421 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,1,0,0,0,0|1,0,1]=3 422 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,1,0,0,0,0|1,0,1]=3 423 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,1,0,0,0,0|1,0,1]=3 424 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,1,0,0,0,0|0,0,2]=3 425 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,1,0,0,0,0|0,0,2]=3 426 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,1,0,0,0,0|0,0,2]=3 427 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,1,0,0,0,0|2,0,0]=3 428 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,1,0,0,0,0|2,0,0]=3 429 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [0,1,0,0,0,0|1,0,0]=2 430 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,1,0,0,0,0|0,0,0]=1 431 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,1,0,0,0,0|1,0,1]=3 432 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,1,0,0,0,0|1,0,1]=3 433 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,1,0,0,0,0|1,0,1]=3 434 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,1,0,0,0,0|1,0,1]=3 435 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,1,0,0,0,0|1,0,1]=3 436 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,1,0,0,0,0|0,0,2]=3 437 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,1,0,0,0,0|2,0,0]=3 438 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [0,1,0,0,0,0|1,0,1]=3 439 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [0,1,0,0,0,0|1,0,1]=3 440 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,1,0,0,0,0|1,0,0]=2 441 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,1,0,0,0,0|0,0,0]=1 442 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,1,0,0,0,0|0,0,0]=1 443 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,1,0,0,0,0|1,0,1]=3 444 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,1,0,0,0,0|1,0,1]=3 445 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,1,0,0,0,0|1,0,1]=3 446 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,1,0,0,0,0|1,0,1]=3 447 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,1,0,0,0,0|0,0,2]=3 448 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,1,0,0,0,0|0,0,2]=3 449 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,1,0,0,0,0|2,0,0]=3 450 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,1,0,0,0,0|2,0,0]=3 451 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,1,0,0,0,0|2,0,0]=3 452 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,1,0,0,0,0|2,0,0]=3 453 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,1,0,0,0,0|2,0,0]=3 454 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,1,0,0,0,0|2,0,0]=3 455 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,1,0,0,0,0|2,0,0]=3 456 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,1,0,0,0,0|2,0,0]=3 457 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,1,0,0,0,0|2,0,0]=3 458 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,1,0,0,0,0|2,0,0]=3 459 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,1,0,0,0,0|2,0,0]=3 460 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,1,0,0,0,0|2,0,0]=3 461 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,1,0,0,0,0|2,0,0]=3 462 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,1,0,0,0,0|2,0,0]=3 463 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,0,0,0,0|2,0,1]=4 464 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,1,0,0,0,0|0,0,2]=3 470 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,1,0,0,0,0|0,0,2]=3 471 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,1,0,0,0,0|0,0,2]=3 472 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,1,0,0,0,0|0,0,2]=3 473 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,1,0,0,0,0|0,0,2]=3 474 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,1,0,0,0,0|1,0,1]=3 475 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,1,0,0,0,0|1,0,1]=3 476 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,1,0,0,0,0|0,0,2]=3 477 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,1,0,0,0,0|0,0,2]=3 478 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,1,0,0,0,0|1,0,1]=3 479 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,1,0,0,0,0|1,0,1]=3 480 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,1,0,0,0,0|1,0,1]=3 481 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,1,0,0,0,0|1,0,1]=3 482 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,1,0,0,0,0|1,0,1]=3 483 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,1,0,0,0,0|1,0,1]=3 484 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,1,0,0,0,0|1,0,1]=3 485 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,1,0,0,0,0|1,0,1]=3 486 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,1,0,0,0,0|1,0,1]=3 487 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,1,0,0,0,0|1,0,0]=2 488 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,1,0,0,0,0|1,0,1]=3 489 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,1,0,0,0,0|1,0,1]=3 490 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,1,0,0,0,0|1,0,1]=3 491 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,1,0,0,0,0|1,0,1]=3 492 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,1,0,0,0,0|0,0,2]=3 493 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,1,0,0,0,0|0,0,2]=3 494 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,1,0,0|2,0,1]=4 495 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,1,0,0|1,0,2]=4 496 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,1,0,0|1,0,2]=4 497 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|1,0,2]=4 498 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,1,0,0|1,0,2]=4 499 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,1,0,0|2,0,1]=4 500 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 501 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 502 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 503 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 504 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 505 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 509 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 510 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 511 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 512 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,1,0,0,0,0|0,0,2]=4 513 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,1,0,0,0,0|0,0,2]=4 514 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,1,0,0,0,0|0,0,2]=4 515 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 518 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|0,0,0]=2 536 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|0,0,0]=2 537 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|0,0,0]=2 538 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 541 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 542 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 543 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,1,0,0,0,0|1,0,1]=4 545 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,1,0,0,0,0|1,0,1]=4 547 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,1,0,0,0,0|1,0,1]=4 548 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,1,0,0,0,0|1,0,1]=4 549 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|1,0,0]=3 550 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|1,0,0]=3 551 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|1,0,0]=3 552 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|1,0,1]=4 553 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|0,0,2]=4 554 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|0,0,2]=4 555 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|0,0,1]=3 556 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|0,0,1]=3 557 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|0,0,1]=3 558 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|1,0,1]=4 561 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,1,0,0,0,0|1,0,1]=4 565 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,1,0,0,0,0|1,0,1]=4 566 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,1,0,0,0,0|1,0,1]=4 567 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|1,0,1]=4 568 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|1,0,1]=4 571 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|1,0,1]=4 572 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|1,0,1]=4 575 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,1,0,0,0,0|1,0,1]=4 581 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|1,0,1]=4 587 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,1,0,0,0,0|1,0,1]=4 589 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|0,0,2]=4 592 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|1,0,1]=4 593 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,2,0,0,0,0|0,0,1]=3 600 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,2,0,0,0,0|0,0,1]=3 601 B7R0.2 C=CC(=O)C[N+](=O)[O-] 1458a_100000185746_100000761209 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|0,0,0]=2 603 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|0,0,0]=2 604 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|0,0,2]=4 607 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|0,0,2]=4 608 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|0,0,2]=4 609 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|0,0,2]=4 610 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|0,0,2]=4 611 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|0,0,2]=4 612 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|0,0,2]=4 613 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,2,0,0,0,0|0,0,2]=4 614 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,2,0,0,0,0|0,0,2]=4 615 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,2,0,0,0,0|0,0,0]=2 617 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,2,0,0,0,0|0,0,2]=4 618 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.3 C#CC(C)NCC=C 2230a_100000707721_100000210623 [0,2,0,0,0,0|1,0,1]=4 623 B7R0.3 C#CC(C)NCC=C 34a_100000707721_100015514636 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,2,0,0,0,0|0,0,2]=4 625 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,2,0,0,0,0|0,0,2]=4 626 B7R0.3 C#CC(C)OCC=C 34a_200000210373_200000035995 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.3 C#CC(C)SCC=C 62a_200000035995_100000210623 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,2,0,0,0,0|0,0,2]=4 629 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,2,0,0,0,0|0,0,2]=4 630 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,2,0,0,0,0|0,0,2]=4 631 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,2,0,0,0,0|0,0,2]=4 632 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,2,0,0,0,0|0,0,2]=4 634 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,2,0,0,0,0|0,0,2]=4 635 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,2,0,0,0,0|0,0,2]=4 636 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,2,0,0,0,0|0,0,2]=4 637 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,2,0,0,0,0|0,0,2]=4 638 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,2,0,0,0,0|0,0,2]=4 639 B7R0.3 C#CCOC(C)C=C 34a_100000695699_100000184674 [0,2,0,0,0,0|1,0,1]=4 640 B7R0.3 C#C[C@@H](C)OCC=C 34a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.3 C#C[C@@H](C)OCC=C 7a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,2,0,0,0,0|0,0,2]=4 643 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,2,0,0,0,0|0,0,2]=4 644 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|0,0,2]=4 647 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|0,0,2]=4 648 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,2,0,0,0,0|0,0,2]=4 650 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,2,0,0,0,0|0,0,2]=4 652 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,2,0,0,0,0|0,0,0]=2 659 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|0,0,2]=4 662 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.3 C=CC(C)SCC#N 62a_100011215867_100011215382 [0,2,0,0,0,0|1,0,1]=4 664 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,2,0,0,0,0|0,0,0]=2 665 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,2,0,0,0,0|1,0,1]=4 666 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|0,0,2]=4 668 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,2,0,0,0,0|0,0,2]=4 677 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,2,0,0,0,0|0,0,2]=4 678 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,2,0,0,0,0|0,0,2]=4 679 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,2,0,0,0,0|0,0,0]=2 680 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,2,0,0,0,0|0,0,0]=2 681 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,2,0,0,0,0|0,0,0]=2 682 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,2,0,0,0,0|0,0,0]=2 683 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|0,0,0]=2 684 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,2,0,0,0,0|0,0,0]=2 685 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,2,0,0,0,0|0,0,0]=2 686 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,2,0,0,0,0|0,0,0]=2 687 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,2,0,0,0,0|0,0,0]=2 688 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|0,0,2]=4 690 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|0,0,2]=4 691 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|0,0,2]=4 692 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|0,0,2]=4 693 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,2,0,0,0,0|1,0,0]=3 702 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,2,0,0,0,0|1,0,0]=3 703 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,2,0,0,0,0|1,0,0]=3 706 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,2,0,0,0,0|1,0,0]=3 709 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,2,0,0,0,0|1,0,0]=3 710 B7R0.3 C=CCNC(C)C#N 2230a_100000737613_100000210623 [0,2,0,0,0,0|1,0,1]=4 711 B7R0.3 C=CCNC(C)C#N 2230a_100020586998_100000184139 [0,2,0,0,0,0|1,0,1]=4 712 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|1,0,1]=4 714 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,2,0,0,0,0|0,0,2]=4 715 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,2,0,0,0,0|0,0,2]=4 716 B7R0.3 C=CCOC(C)C#N 34a_100011218135_100015514636 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|1,0,1]=4 722 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|0,0,2]=4 724 B7R0.3 C=CCSC(C)C#N 62a_100000210623_100000703298 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.3 C=CCSC(C)C#N 62a_100000703298_100000210623 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,2,0,0,0,0|0,0,2]=4 730 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|2,0,0]=4 732 B7R0.3 C=CCSC(F)C#N 62a_100000210623_200000117898 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.3 C=CCSC(F)C#N 62a_200000117898_100000210623 [0,2,0,0,0,0|1,0,1]=4 734 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,2,0,0,0,0|0,0,2]=4 735 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,2,0,0,0,0|0,0,2]=4 736 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,2,0,0,0,0|1,0,1]=4 739 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|0,0,2]=4 747 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|0,0,2]=4 748 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|0,0,2]=4 749 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|0,0,2]=4 750 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|0,0,2]=4 751 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|0,0,2]=4 752 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|0,0,2]=4 754 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,2,0,0,0,0|1,0,1]=4 755 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|1,0,1]=4 760 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|0,0,2]=4 763 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|0,0,2]=4 764 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|0,0,2]=4 765 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|0,0,2]=4 766 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|0,0,2]=4 767 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|0,0,2]=4 768 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,2,0,0,0,0|0,0,2]=4 769 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|0,0,2]=4 770 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|0,0,2]=4 771 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|0,0,2]=4 772 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|0,0,2]=4 773 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|0,0,2]=4 774 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|1,0,1]=4 779 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|1,0,1]=4 785 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 786 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|1,0,1]=4 787 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 790 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|1,0,1]=4 791 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|1,0,1]=4 792 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|1,0,1]=4 800 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|1,0,1]=4 804 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|1,0,1]=4 806 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|1,0,1]=4 807 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|1,0,1]=4 808 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|1,0,1]=4 809 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|1,0,1]=4 810 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|1,0,1]=4 811 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|1,0,1]=4 812 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|1,0,1]=4 813 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,2,0,0,0,0|1,0,1]=4 817 B7R0.3 N#CC(F)SCC=O 62a_200000117898_200015260668 [0,2,0,0,0,0|1,0,1]=4 818 B7R0.3 N#CC(F)SCC=O 62a_200015260668_200000117898 [0,2,0,0,0,0|1,0,1]=4 819 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,2,0,0,0,0|1,0,1]=4 820 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|1,0,1]=4 824 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|0,0,0]=2 825 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|0,0,0]=2 826 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,2,0,0,0,0|1,0,0]=3 827 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,2,0,0,0,0|1,0,0]=3 828 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,2,0,0,0,0|1,0,0]=3 829 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,2,0,0,0,0|1,0,0]=3 830 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 833 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 834 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|1,0,1]=4 835 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|0,0,2]=4 836 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|0,0,2]=4 837 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|0,0,2]=4 838 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|0,0,2]=4 839 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|0,0,2]=4 840 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|1,0,1]=4 842 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,0,1]=4 849 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|1,0,1]=4 851 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,1]=4 852 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [0,2,0,0,0,0|1,0,1]=4 854 B7R0.7 C#CCN(C)CC=C 2230a_100000225617_100000038162 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.7 C#CCN(C)CC=C 2230a_100000225692_100000210623 [0,2,0,0,0,0|1,0,1]=4 856 B7R0.7 C#CCN(C)CC=C 2230a_100000731024_200000210301 [0,2,0,0,0,0|1,0,1]=4 857 B7R0.7 C#CCN(C)CC=C 34a_100000225692_100015514636 [0,2,0,0,0,0|1,0,1]=4 858 B7R0.7 C#CCN(C)CC=C 34a_100000731024_200000210301 [0,2,0,0,0,0|1,0,1]=4 859 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,2,0,0,0,0|0,0,2]=4 860 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,2,0,0,0,0|0,0,2]=4 861 B7R0.7 C#CCN([13CH3])CC=C 2230a_100000731024_200025704644 [0,2,0,0,0,0|1,0,1]=4 862 B7R0.7 C#CCN([13CH3])CC=C 34a_100000731024_200025704644 [0,2,0,0,0,0|1,0,1]=4 863 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,2,0,0,0,0|1,0,1]=4 864 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,2,0,0,0,0|1,0,1]=4 865 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,2,0,0,0,0|1,0,1]=4 866 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,2,0,0,0,0|1,0,1]=4 867 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [0,2,0,0,0,0|1,0,1]=4 869 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,2,0,0,0,0|1,0,0]=3 870 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,2,0,0,0,0|1,0,1]=4 871 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,2,0,0,0,0|1,0,1]=4 872 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,2,0,0,0,0|1,0,1]=4 873 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|0,0,2]=4 874 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|0,0,2]=4 875 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|2,0,0]=4 876 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,2,0,0,0,0|2,0,0]=4 877 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|0,0,2]=4 878 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|0,0,2]=4 879 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|0,0,2]=4 880 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|0,0,2]=4 881 B7R0.7 C=CCN(C)CC#N 2230a_100000225617_100011215382 [0,2,0,0,0,0|1,0,1]=4 882 B7R0.7 C=CCN(C)CC#N 2230a_100000748184_100000210623 [0,2,0,0,0,0|1,0,1]=4 883 B7R0.7 C=CCN(C)CC#N 269982a_100000225617_100011214920 [0,2,0,0,0,0|1,0,1]=4 884 B7R0.7 C=CCN(C)CC=C 2230a_100000210471_200000210301 [0,2,0,0,0,0|1,0,0]=3 885 B7R0.7 C=CCN(C)CC=C 2230a_100000225617_100000210623 [0,2,0,0,0,0|1,0,0]=3 886 B7R0.7 C=CCN(C)CC=C 269982a_100000210471_200000210301 [0,2,0,0,0,0|1,0,0]=3 887 B7R0.7 C=CCN(C)CC=C 269982a_100000225617_100000210623 [0,2,0,0,0,0|1,0,0]=3 888 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,2,0,0,0,0|0,0,0]=2 889 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,2,0,0,0,0|0,0,0]=2 890 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,2,0,0,0,0|1,0,1]=4 893 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,2,0,0,0,0|1,0,1]=4 894 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,2,0,0,0,0|1,0,1]=4 895 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,2,0,0,0,0|1,0,1]=4 896 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|0,0,2]=4 897 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|0,0,2]=4 898 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|0,0,2]=4 899 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|0,0,2]=4 900 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 901 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 902 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 903 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 904 B7R0.7 C=CCN([13CH3])CC=C 2230a_100000210471_200025704644 [0,2,0,0,0,0|1,0,0]=3 905 B7R0.7 C=CCN([13CH3])CC=C 269982a_100000210471_200025704644 [0,2,0,0,0,0|1,0,0]=3 906 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 907 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 908 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 909 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 910 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|0,0,2]=4 911 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|0,0,2]=4 912 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|0,0,2]=4 913 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|0,0,2]=4 914 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,2,0,0,0,0|1,0,1]=4 915 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|1,0,1]=4 916 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|1,0,1]=4 917 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|2,0,0]=4 918 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|2,0,0]=4 919 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|2,0,0]=4 920 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|2,0,0]=4 921 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|2,0,0]=4 922 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|2,0,0]=4 923 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|1,0,1]=4 924 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|1,0,1]=4 925 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|1,0,1]=4 926 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|1,0,1]=4 927 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,2,0,0,0,0|1,0,0]=3 928 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,2,0,0,0,0|1,0,0]=3 929 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,2,0,0,0,0|1,0,0]=3 930 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,2,0,0,0,0|1,0,0]=3 931 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,2,0,0,0,0|0,0,2]=4 932 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,2,0,0,0,0|0,0,2]=4 933 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,2,0,0,0,0|0,0,2]=4 934 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,2,0,0,0,0|0,0,2]=4 935 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,2,0,0,0,0|0,0,2]=4 936 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,2,0,0,0,0|0,0,2]=4 937 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,2,0,0,0,0|0,0,2]=4 938 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,2,0,0,0,0|0,0,2]=4 939 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,2,0,0,0,0|0,0,2]=4 940 B7R0.4 C#CCNCC(=C)C 34a_100000212058_100000748629 [0,2,0,0,0,0|1,0,1]=4 941 B7R0.4 C#CCNCC(=C)F 34a_100000212058_100009893438 [0,2,0,0,0,0|1,0,1]=4 942 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,2,0,0,0,0|0,0,2]=4 943 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,2,0,0,0,0|0,0,2]=4 944 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,2,0,0,0,0|0,0,2]=4 945 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,2,0,0,0,0|0,0,2]=4 946 B7R0.4 C#CCOCC(=C)C 34a_100000210245_100000184674 [0,2,0,0,0,0|1,0,1]=4 947 B7R0.4 C#CCOCC(=C)C 34a_100000210247_100000748629 [0,2,0,0,0,0|1,0,1]=4 948 B7R0.4 C#CCOCC(=C)F 34a_100000210247_100009893438 [0,2,0,0,0,0|1,0,1]=4 949 B7R0.4 C#CCOCC(=C)F 34a_200010262243_100000184674 [0,2,0,0,0,0|1,0,1]=4 950 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,2,0,0,0,0|0,0,2]=4 951 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,2,0,0,0,0|0,0,2]=4 952 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,2,0,0,0,0|0,0,2]=4 953 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,2,0,0,0,0|0,0,2]=4 954 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,2,0,0,0,0|0,0,2]=4 955 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.4 C#CCSCC(=C)F 62a_100000038162_100000042424 [0,2,0,0,0,0|1,0,1]=4 957 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,2,0,0,0,0|0,0,2]=4 958 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,2,0,0,0,0|0,0,2]=4 959 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,2,0,0,0,0|0,0,2]=4 960 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,2,0,0,0,0|0,0,2]=4 961 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,2,0,0,0,0|1,0,1]=4 962 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,2,0,0,0,0|1,0,1]=4 963 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,2,0,0,0,0|1,0,1]=4 964 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|1,0,1]=4 965 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|1,0,1]=4 966 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,2,0,0,0,0|1,0,1]=4 967 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|1,0,1]=4 968 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|1,0,1]=4 969 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|1,0,1]=4 970 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|1,0,1]=4 971 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,2,0,0,0,0|1,0,1]=4 972 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,2,0,0,0,0|0,0,2]=4 973 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,2,0,0,0,0|0,0,2]=4 974 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|0,0,0]=2 975 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,2,0,0,0,0|1,0,1]=4 976 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,2,0,0,0,0|1,0,1]=4 977 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,2,0,0,0,0|1,0,1]=4 978 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,2,0,0,0,0|1,0,1]=4 979 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,2,0,0,0,0|1,0,1]=4 980 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,2,0,0,0,0|0,0,2]=4 981 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,2,0,0,0,0|2,0,0]=4 982 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [0,2,0,0,0,0|1,0,1]=4 983 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [0,2,0,0,0,0|1,0,1]=4 984 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,2,0,0,0,0|0,0,0]=2 985 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,2,0,0,0,0|0,0,0]=2 986 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|1,0,1]=4 987 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|1,0,1]=4 988 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,2,0,0,0,0|1,0,1]=4 989 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,2,0,0,0,0|1,0,1]=4 990 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|0,0,2]=4 991 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|0,0,2]=4 992 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|2,0,0]=4 993 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|2,0,0]=4 994 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|2,0,0]=4 995 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|2,0,0]=4 996 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,2,0,0,0,0|1,0,1]=4 997 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,2,0,0,0,0|0,0,2]=4 998 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,2,0,0,0,0|0,0,2]=4 999 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,2,0,0,0,0|0,0,0]=2 1000 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,2,0,0,0,0|1,0,1]=4 1001 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,2,0,0,0,0|1,0,1]=4 1002 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,2,0,0,0,0|1,0,1]=4 1003 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,2,0,0,0,0|1,0,1]=4 1004 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,2,0,0,0,0|1,0,1]=4 1005 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,2,0,0,0,0|0,0,2]=4 1006 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,2,0,0,0,0|2,0,0]=4 1007 B7R0.4 C=C(F)CSCC#N 62a_100000042424_100011215382 [0,2,0,0,0,0|1,0,1]=4 1008 B7R0.4 C=C(F)CSCC#N 62a_100011215382_100000042424 [0,2,0,0,0,0|1,0,1]=4 1009 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,2,0,0,0,0|0,0,0]=2 1010 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,2,0,0,0,0|0,0,0]=2 1011 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,2,0,0,0,0|1,0,1]=4 1012 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,2,0,0,0,0|1,0,1]=4 1013 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,2,0,0,0,0|1,0,1]=4 1014 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,2,0,0,0,0|1,0,1]=4 1015 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,2,0,0,0,0|0,0,2]=4 1016 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,2,0,0,0,0|0,0,2]=4 1017 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,2,0,0,0,0|2,0,0]=4 1018 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,2,0,0,0,0|2,0,0]=4 1019 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,2,0,0,0,0|2,0,0]=4 1020 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,2,0,0,0,0|2,0,0]=4 1021 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,2,0,0,0,0|0,0,0]=2 1022 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,2,0,0,0,0|0,0,0]=2 1023 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,2,0,0,0,0|0,0,0]=2 1024 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,2,0,0,0,0|1,0,1]=4 1025 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,2,0,0,0,0|1,0,1]=4 1026 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,2,0,0,0,0|0,0,0]=2 1027 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,2,0,0,0,0|0,0,0]=2 1028 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,2,0,0,0,0|0,0,0]=2 1029 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,2,0,0,0,0|0,0,0]=2 1030 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,2,0,0,0,0|1,0,1]=4 1031 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,2,0,0,0,0|1,0,1]=4 1032 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,2,0,0,0,0|1,0,1]=4 1033 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,2,0,0,0,0|1,0,1]=4 1034 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,2,0,0,0,0|1,0,1]=4 1035 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,2,0,0,0,0|1,0,1]=4 1036 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,2,0,0,0,0|1,0,1]=4 1037 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,2,0,0,0,0|1,0,0]=3 1038 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [0,2,0,0,0,0|1,0,0]=3 1039 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,2,0,0,0,0|0,0,0]=2 1040 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,2,0,0,0,0|0,0,0]=2 1041 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,2,0,0,0,0|0,0,0]=2 1042 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,2,0,0,0,0|1,0,1]=4 1043 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,2,0,0,0,0|1,0,1]=4 1044 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,2,0,0,0,0|1,0,1]=4 1045 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,2,0,0,0,0|1,0,1]=4 1046 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,2,0,0,0,0|0,0,2]=4 1047 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,2,0,0,0,0|0,0,2]=4 1048 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,2,0,0,0,0|0,0,2]=4 1049 B7R0.4 C=CCNCC(F)F 2230a_100020586998_100011934356 [0,2,0,0,0,0|1,0,1]=4 1050 B7R0.4 C=CCNCC(F)F 34a_100000765723_100015514636 [0,2,0,0,0,0|1,0,1]=4 1051 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,2,0,0,0,0|0,0,2]=4 1052 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,2,0,0,0,0|1,0,0]=3 1053 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,2,0,0,0,0|1,0,0]=3 1054 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,2,0,0,0,0|1,0,0]=3 1055 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [0,2,0,0,0,0|1,0,0]=3 1056 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [0,2,0,0,0,0|1,0,0]=3 1057 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,2,0,0,0,0|0,0,0]=2 1058 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,2,0,0,0,0|0,0,0]=2 1059 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,2,0,0,0,0|0,0,0]=2 1060 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,2,0,0,0,0|1,0,1]=4 1061 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,2,0,0,0,0|1,0,1]=4 1062 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,2,0,0,0,0|1,0,1]=4 1063 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,2,0,0,0,0|1,0,1]=4 1064 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,2,0,0,0,0|0,0,2]=4 1065 B7R0.4 C=CCOCC(F)F 34a_100000743014_100015514636 [0,2,0,0,0,0|1,0,1]=4 1066 B7R0.4 C=CCOCC(F)F 34a_200000210373_100011934356 [0,2,0,0,0,0|1,0,1]=4 1067 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,2,0,0,0,0|1,0,1]=4 1068 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,2,0,0,0,0|1,0,1]=4 1069 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,2,0,0,0,0|0,0,2]=4 1070 B7R0.4 C=CCOC[N+](=O)[O-] 34a_200000210373_100000761209 [0,2,0,0,0,0|1,0,0]=3 1071 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,2,0,0,0,0|1,0,0]=3 1072 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,2,0,0,0,0|1,0,0]=3 1073 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [0,2,0,0,0,0|1,0,0]=3 1074 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [0,2,0,0,0,0|1,0,0]=3 1075 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,2,0,0,0,0|0,0,0]=2 1076 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,2,0,0,0,0|0,0,0]=2 1077 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,2,0,0,0,0|0,0,0]=2 1078 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,2,0,0,0,0|0,0,0]=2 1079 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,2,0,0,0,0|0,0,0]=2 1080 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,2,0,0,0,0|0,0,0]=2 1081 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,2,0,0,0,0|1,0,1]=4 1082 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,2,0,0,0,0|1,0,1]=4 1083 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,2,0,0,0,0|0,0,2]=4 1084 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,2,0,0,0,0|0,0,2]=4 1085 B7R0.4 C=CCSCC(F)F 62a_100000210623_100011934356 [0,2,0,0,0,0|1,0,1]=4 1086 B7R0.4 C=CCSCC(F)F 62a_100011934356_100000210623 [0,2,0,0,0,0|1,0,1]=4 1087 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,2,0,0,0,0|0,0,2]=4 1088 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,2,0,0,0,0|0,0,2]=4 1089 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [0,2,0,0,0,0|1,0,0]=3 1090 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|0,0,0]=2 1091 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 1092 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 1093 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|2,0,0]=4 1094 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|2,0,0]=4 1095 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,2,0,0,0,0|0,0,2]=4 1096 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,2,0,0,0,0|0,0,2]=4 1097 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,2,0,0,0,0|0,0,2]=4 1098 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|0,0,2]=4 1099 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|0,0,2]=4 1100 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|0,0,2]=4 1101 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|0,0,2]=4 1102 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,2,0,0,0,0|0,0,2]=4 1103 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,2,0,0,0,0|0,0,2]=4 1104 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,2,0,0,0,0|2,0,0]=4 1105 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 1106 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 1107 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|1,0,1]=4 1108 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|1,0,1]=4 1109 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|0,0,1]=3 1110 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,2,0,0,0,0|1,0,1]=4 1111 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|1,0,1]=4 1112 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|1,0,1]=4 1113 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,2,0,0,0,0|1,0,1]=4 1114 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1116 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1117 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,2,0,0,0,0|1,0,1]=4 1118 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,2,0,0,0,0|1,0,1]=4 1119 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,2,0,0,0,0|1,0,1]=4 1120 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,2,0,0,0,0|1,0,1]=4 1121 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,2,0,0,0,0|1,0,1]=4 1122 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,2,0,0,0,0|1,0,1]=4 1123 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,2,0,0,0,0|1,0,1]=4 1124 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,2,0,0,0,0|1,0,1]=4 1125 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|1,0,1]=4 1126 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,2,0,0,0,0|1,0,1]=4 1127 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,2,0,0,0,0|1,0,1]=4 1128 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|1,0,1]=4 1129 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|1,0,1]=4 1130 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,2,0,0,0,0|0,0,2]=4 1131 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,2,0,0,0,0|0,0,2]=4 1132 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,2,0,0,0,0|0,0,2]=4 1133 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,2,0,0,0,0|0,0,2]=4 1134 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,2,0,0,0,0|0,0,2]=4 1135 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,2,0,0,0,0|0,0,2]=4 1136 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,2,0,0,0,0|0,0,2]=4 1137 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,2,0,0,0,0|0,0,2]=4 1138 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|0,0,2]=4 1139 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,2,0,0,0,0|0,0,2]=4 1140 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,2,0,0,0,0|0,0,2]=4 1141 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|0,0,2]=4 1142 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|0,0,2]=4 1143 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|0,0,2]=4 1144 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,2,0,0,0,0|0,0,2]=4 1145 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,2,0,0,0,0|0,0,2]=4 1146 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,2,0,0,0,0|0,0,2]=4 1147 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,2,0,0,0,0|0,0,2]=4 1148 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,2,0,0,0,0|0,0,2]=4 1149 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,2,0,0,0,0|0,0,2]=4 1150 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,2,0,0,0,0|0,0,2]=4 1151 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,2,0,0,0,0|0,0,2]=4 1152 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,2,0,0,0,0|0,0,2]=4 1153 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|0,0,2]=4 1154 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|0,0,2]=4 1155 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,2,0,0,0,0|0,0,2]=4 1156 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|0,0,2]=4 1157 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,2,0,0,0,0|0,0,2]=4 1158 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|0,0,2]=4 1159 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,2,0,0,0,0|0,0,2]=4 1160 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,2,0,0,0,0|0,0,2]=4 1161 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|0,0,2]=4 1162 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,2,0,0,0,0|0,0,2]=4 1163 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,2,0,0,0,0|0,0,2]=4 1164 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,2,0,0,0,0|0,0,2]=4 1165 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|0,0,2]=4 1166 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|0,0,2]=4 1167 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|0,0,2]=4 1168 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|0,0,2]=4 1169 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,2,0,0,0,0|0,0,2]=4 1170 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,2,0,0,0,0|0,0,2]=4 1171 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,2,0,0,0,0|0,0,2]=4 1172 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|0,0,2]=4 1173 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|0,0,2]=4 1174 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|0,0,2]=4 1175 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|0,0,2]=4 1176 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|0,0,2]=4 1177 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,2,0,0,0,0|0,0,2]=4 1178 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,2,0,0,0,0|0,0,2]=4 1179 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|0,0,2]=4 1180 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,2,0,0,0,0|0,0,2]=4 1181 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,2,0,0,0,0|0,0,2]=4 1182 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 1183 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|2,0,0]=4 1184 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 1185 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,2,0,0,0,0|2,0,0]=4 1186 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,2,0,0,0,0|2,0,0]=4 1187 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,2,0,0,0,0|2,0,0]=4 1188 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,2,0,0,0,0|0,0,2]=4 1189 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,2,0,0,0,0|0,0,2]=4 1190 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,2,0,0,0,0|0,0,2]=4 1191 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,2,0,0,0,0|0,0,2]=4 1192 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,2,0,0,0,0|0,0,2]=4 1193 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,2,0,0,0,0|1,0,1]=4 1194 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,2,0,0,0,0|1,0,1]=4 1195 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,2,0,0,0,0|1,0,1]=4 1196 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,2,0,0,0,0|1,0,1]=4 1197 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,2,0,0,0,0|1,0,1]=4 1198 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,2,0,0,0,0|1,0,1]=4 1199 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,2,0,0,0,0|1,0,1]=4 1200 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,2,0,0,0,0|1,0,1]=4 1201 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,2,0,0,0,0|1,0,1]=4 1202 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,2,0,0,0,0|1,0,1]=4 1203 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|2,0,0]=4 1204 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,2,0,0,0,0|2,0,0]=4 1205 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|0,0,2]=4 1206 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|0,0,2]=4 1207 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|0,0,2]=4 1208 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|0,0,2]=4 1209 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|0,0,2]=4 1210 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,2,0,0,0,0|0,0,2]=4 1211 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|0,0,2]=4 1212 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|1,0,1]=4 1213 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|1,0,1]=4 1214 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|1,0,1]=4 1215 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|1,0,1]=4 1216 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,2,0,0,0,0|1,0,1]=4 1217 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|1,0,1]=4 1218 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,2,0,0,0,0|1,0,1]=4 1219 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,2,0,0,0,0|1,0,1]=4 1220 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,2,0,0,0,0|1,0,1]=4 1221 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,2,0,0,0,0|1,0,1]=4 1222 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,2,0,0,0,0|1,0,1]=4 1223 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,2,0,0,0,0|1,0,1]=4 1224 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,2,0,0,0,0|1,0,1]=4 1225 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,2,0,0,0,0|1,0,1]=4 1226 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|2,0,0]=4 1227 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|2,0,0]=4 1228 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,2,0,0,0,0|2,0,0]=4 1229 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,2,0,0,0,0|2,0,0]=4 1230 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,2,0,0,0,0|0,0,2]=4 1231 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,2,0,0,0,0|0,0,2]=4 1232 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,2,0,0,0,0|0,0,2]=4 1233 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,2,0,0,0,0|0,0,2]=4 1234 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,2,0,0,0,0|0,0,2]=4 1235 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,2,0,0,0,0|0,0,2]=4 1236 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,2,0,0,0,0|1,0,1]=4 1238 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,2,0,0,0,0|1,0,1]=4 1242 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|1,0,1]=4 1246 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,2,0,0,0,0|1,0,1]=4 1254 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,2,0,0,0,0|1,0,1]=4 1255 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,2,0,0,0,0|0,0,2]=4 1256 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,2,0,0,0,0|0,0,2]=4 1257 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,2,0,0,0,0|0,0,2]=4 1258 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,2,0,0,0,0|0,0,2]=4 1259 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,2,0,0,0,0|1,0,1]=4 1260 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,2,0,0,0,0|1,0,1]=4 1261 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,2,0,0,0,0|1,0,1]=4 1262 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,2,0,0,0,0|1,0,1]=4 1264 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,2,0,0,0,0|1,0,1]=4 1265 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,2,0,0,0,0|1,0,1]=4 1267 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,2,0,0,0,0|1,0,1]=4 1268 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,2,0,0,0,0|1,0,0]=3 1270 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,2,0,0,0,0|1,0,1]=4 1274 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,2,0,0,0,0|1,0,1]=4 1275 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,2,0,0,0,0|1,0,1]=4 1276 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,2,0,0,0,0|1,0,0]=3 1277 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,2,0,0,0,0|1,0,0]=3 1278 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,2,0,0,0,0|1,0,1]=4 1281 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,2,0,0,0,0|1,0,1]=4 1282 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,2,0,0,0,0|1,0,1]=4 1283 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,2,0,0,0,0|1,0,1]=4 1284 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,2,0,0,0,0|1,0,1]=4 1285 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,2,0,0,0,0|1,0,1]=4 1286 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,2,0,0,0,0|1,0,1]=4 1287 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,2,0,0,0,0|1,0,1]=4 1288 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,2,0,0,0,0|1,0,1]=4 1289 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,2,0,0,0,0|1,0,1]=4 1290 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,2,0,0,0,0|1,0,1]=4 1291 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,2,0,0,0,0|1,0,1]=4 1292 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,2,0,0,0,0|1,0,1]=4 1293 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,2,0,0,0,0|1,0,0]=3 1294 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,2,0,0,0,0|1,0,1]=4 1295 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,2,0,0,0,0|1,0,1]=4 1296 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,2,0,0,0,0|1,0,0]=3 1297 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,2,0,0,0,0|1,0,0]=3 1298 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,2,0,0,0,0|1,0,1]=4 1299 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,2,0,0,0,0|1,0,1]=4 1300 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [0,2,0,0,0,0|2,0,0]=4 1301 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,2,0,0,0,0|0,0,2]=4 1302 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|0,0,2]=4 1303 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,2,0,0,0,0|2,0,0]=4 1304 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|1,0,1]=4 1305 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,2,0,0,0,0|1,0,1]=4 1306 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,2,0,0,0,0|0,0,2]=4 1307 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,2,0,0,0,0|1,0,1]=4 1308 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,2,0,0,0,0|1,0,1]=4 1309 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,2,0,0,0,0|1,0,1]=4 1310 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,2,0,0,0,0|2,0,0]=4 1311 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,2,0,0,0,0|2,0,0]=4 1312 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,2,0,0,0,0|0,0,2]=4 1313 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,2,0,0,0,0|0,0,2]=4 1314 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,2,0,0,0,0|1,0,1]=4 1315 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,2,0,0,0,0|1,0,1]=4 1316 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,2,0,0,0,0|1,0,1]=4 1317 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,2,0,0,0,0|1,0,1]=4 1318 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|0,0,0]=2 1319 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|0,0,0]=2 1320 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|0,0,0]=2 1321 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 1322 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 1323 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|1,0,0]=3 1324 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|1,0,0]=3 1325 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|1,0,0]=3 1326 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|1,0,0]=3 1327 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|0,0,2]=4 1328 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|0,0,2]=4 1329 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|0,0,2]=4 1330 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|0,0,1]=3 1331 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|0,0,2]=4 1332 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|0,0,2]=4 1333 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|0,0,2]=4 1334 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|1,0,1]=4 1335 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,2,0,0,0,0|1,0,1]=4 1336 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|1,0,1]=4 1337 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|1,0,1]=4 1338 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|1,0,1]=4 1339 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|1,0,1]=4 1340 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|1,0,1]=4 1341 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 1343 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|0,0,2]=4 1348 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|1,0,1]=4 1349 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|0,0,1]=3 1354 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,2,0,0,0,0|1,0,1]=4 1355 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|1,0,1]=4 1356 B7R0.8 C=CCNS(=O)(=O)C 40a_100020586998_100000738038 [0,2,0,0,0,0|2,0,0]=4 1357 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,2,0,0,0,0|1,0,1]=4 1358 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,2,0,0,0,0|1,0,1]=4 1359 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,2,0,0,0,0|0,0,2]=4 1360 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [0,2,0,0,0,0|1,0,1]=4 1361 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,2,0,0,0,0|1,0,1]=4 1362 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,2,0,0,0,0|0,0,2]=4 1363 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,2,0,0,0,0|0,0,2]=4 1366 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,2,0,0,0,0|0,0,2]=4 1367 B7R0.1 C#CCNC/C=C/C 34a_100000212058_100102629194 [0,2,0,0,0,0|1,0,1]=4 1368 B7R0.1 C#CCNCC=CC 34a_100000212058_100000070051 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,2,0,0,0,0|1,0,1]=4 1370 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,2,0,0,0,0|1,0,1]=4 1371 B7R0.1 C#CCOC/C=C/C 34a_100000210247_100102629194 [0,2,0,0,0,0|1,0,1]=4 1372 B7R0.1 C#CCOC/C=C/C 34a_100016270725_100000184674 [0,2,0,0,0,0|1,0,1]=4 1373 B7R0.1 C#CCOCC=CC 34a_100000210247_100000070051 [0,2,0,0,0,0|1,0,1]=4 1374 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,2,0,0,0,0|1,0,1]=4 1375 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,2,0,0,0,0|1,0,1]=4 1376 B7R0.1 C#CCSC/C=C/C 62a_100000038162_100102629194 [0,2,0,0,0,0|1,0,1]=4 1377 B7R0.1 C#CCSCC=CC 62a_100000038162_100000070051 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [0,2,0,0,0,0|1,0,1]=4 1379 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,2,0,0,0,0|1,0,1]=4 1380 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [0,2,0,0,0,0|1,0,1]=4 1381 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [0,2,0,0,0,0|1,0,1]=4 1382 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,2,0,0,0,0|0,0,2]=4 1383 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,2,0,0,0,0|0,0,0]=2 1384 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [0,2,0,0,0,0|1,0,1]=4 1385 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,2,0,0,0,0|1,0,1]=4 1386 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,2,0,0,0,0|0,0,2]=4 1390 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,2,0,0,0,0|2,0,0]=4 1391 B7R0.1 C/C=C/CSCC#N 62a_100011215382_100102629194 [0,2,0,0,0,0|1,0,1]=4 1392 B7R0.1 C/C=C/CSCC#N 62a_100102629194_100011215382 [0,2,0,0,0,0|1,0,1]=4 1393 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,2,0,0,0,0|0,0,0]=2 1394 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,2,0,0,0,0|0,0,0]=2 1395 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [0,2,0,0,0,0|1,0,1]=4 1398 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [0,2,0,0,0,0|0,0,2]=4 1400 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [0,2,0,0,0,0|0,0,2]=4 1401 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,2,0,0,0,0|2,0,0]=4 1402 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,2,0,0,0,0|2,0,0]=4 1403 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,2,0,0,0,0|2,0,0]=4 1404 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,2,0,0,0,0|1,0,1]=4 1407 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,2,0,0,0,0|1,0,1]=4 1408 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,2,0,0,0,0|1,0,1]=4 1409 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,2,0,0,0,0|0,0,2]=4 1413 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,2,0,0,0,0|0,0,2]=4 1414 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,2,0,0,0,0|0,0,2]=4 1415 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,2,0,0,0,0|0,0,2]=4 1416 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,2,0,0,0,0|0,0,2]=4 1417 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,2,0,0,0,0|0,1,1]=4 1418 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,2,0,0,0,0|0,1,1]=4 1419 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,2,0,0,0,0|0,1,1]=4 1420 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,2,0,0,0,0|0,1,1]=4 1421 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,2,0,0,0,0|1,0,1]=4 1424 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,2,0,0,0,0|0,0,2]=4 1426 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,2,0,0,0,0|0,0,2]=4 1427 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,2,0,0,0,0|0,0,2]=4 1428 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,2,0,0,0,0|0,0,2]=4 1429 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,2,0,0,0,0|0,0,2]=4 1430 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,2,0,0,0,0|0,1,1]=4 1431 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,2,0,0,0,0|0,1,1]=4 1432 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,2,0,0,0,0|0,1,1]=4 1433 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,2,0,0,0,0|0,1,1]=4 1434 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,2,0,0,0,0|1,0,0]=3 1436 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,2,0,0,0,0|1,0,0]=3 1437 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,2,0,0,0,0|0,0,0]=2 1438 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,2,0,0,0,0|1,0,1]=4 1440 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,2,0,0,0,0|0,0,2]=4 1442 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,2,0,0,0,0|0,0,2]=4 1443 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,2,0,0,0,0|0,0,2]=4 1444 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,2,0,0,0,0|0,0,2]=4 1445 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,2,0,0,0,0|0,1,1]=4 1446 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,2,0,0,0,0|1,0,0]=3 1447 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,2,0,0,0,0|1,0,0]=3 1448 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,2,0,0,0,0|0,0,0]=2 1449 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,2,0,0,0,0|1,0,1]=4 1450 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,2,0,0,0,0|1,0,1]=4 1451 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,2,0,0,0,0|1,0,1]=4 1452 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,2,0,0,0,0|1,0,1]=4 1453 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,2,0,0,0,0|1,0,1]=4 1454 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,2,0,0,0,0|0,0,2]=4 1455 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,2,0,0,0,0|0,1,1]=4 1456 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [0,2,0,0,0,0|1,0,1]=4 1457 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [0,2,0,0,0,0|1,0,1]=4 1458 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [0,2,0,0,0,0|1,0,0]=3 1459 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [0,2,0,0,0,0|1,0,0]=3 1460 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,2,0,0,0,0|0,0,0]=2 1461 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,2,0,0,0,0|0,0,0]=2 1462 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,2,0,0,0,0|1,0,1]=4 1463 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,2,0,0,0,0|1,0,1]=4 1464 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,2,0,0,0,0|1,0,1]=4 1465 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,2,0,0,0,0|1,0,1]=4 1466 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,2,0,0,0,0|0,0,2]=4 1467 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,2,0,0,0,0|0,0,2]=4 1468 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,2,0,0,0,0|0,0,2]=4 1469 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,2,0,0,0,0|0,0,2]=4 1470 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,2,0,0,0,0|0,1,1]=4 1471 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,2,0,0,0,0|0,1,1]=4 1472 B7R0.1 C=CCNCC#CC 2230a_100000685387_100000210623 [0,2,0,0,0,0|1,0,1]=4 1473 B7R0.1 C=CCNCC#CC 2230a_100020586998_100000748600 [0,2,0,0,0,0|1,0,1]=4 1474 B7R0.1 C=CCNCC#CC 34a_100000685387_100015514636 [0,2,0,0,0,0|1,0,1]=4 1475 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,2,0,0,0,0|1,0,0]=3 1476 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,2,0,0,0,0|1,0,1]=4 1477 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,2,0,0,0,0|1,0,1]=4 1478 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,2,0,0,0,0|1,0,1]=4 1479 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,2,0,0,0,0|1,0,1]=4 1480 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,2,0,0,0,0|1,0,1]=4 1481 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,2,0,0,0,0|1,0,1]=4 1482 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,2,0,0,0,0|0,0,2]=4 1484 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,2,0,0,0,0|0,0,2]=4 1485 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,2,0,0,0,0|0,0,2]=4 1486 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,2,0,0,0,0|0,1,1]=4 1487 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,2,0,0,0,0|0,1,1]=4 1488 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,2,0,0,0,0|1,0,0]=3 1489 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,2,0,0,0,0|1,0,0]=3 1490 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [0,2,0,0,0,0|1,0,1]=4 1491 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [0,2,0,0,0,0|1,0,1]=4 1492 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,2,0,0,0,0|1,0,0]=3 1493 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,2,0,0,0,0|1,0,1]=4 1494 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,2,0,0,0,0|1,0,1]=4 1495 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,2,0,0,0,0|1,0,1]=4 1496 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,2,0,0,0,0|1,0,1]=4 1497 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,2,0,0,0,0|1,0,1]=4 1498 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,2,0,0,0,0|1,0,1]=4 1499 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,2,0,0,0,0|1,0,1]=4 1500 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,2,0,0,0,0|1,0,1]=4 1501 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,2,0,0,0,0|0,0,2]=4 1502 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,2,0,0,0,0|0,0,2]=4 1503 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,2,0,0,0,0|0,0,2]=4 1504 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,2,0,0,0,0|0,0,2]=4 1505 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,2,0,0,0,0|0,0,2]=4 1506 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,2,0,0,0,0|0,0,2]=4 1507 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,2,0,0,0,0|0,0,2]=4 1508 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,2,0,0,0,0|0,0,2]=4 1509 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,2,0,0,0,0|0,1,1]=4 1510 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,2,0,0,0,0|0,1,1]=4 1511 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,2,0,0,0,0|0,1,1]=4 1512 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,2,0,0,0,0|1,0,0]=3 1513 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,2,0,0,0,0|1,0,0]=3 1514 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [0,2,0,0,0,0|1,0,1]=4 1515 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [0,2,0,0,0,0|1,0,1]=4 1516 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,2,0,0,0,0|1,0,0]=3 1517 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,2,0,0,0,0|1,0,0]=3 1518 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [0,2,0,0,0,0|1,0,1]=4 1519 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [0,2,0,0,0,0|1,0,1]=4 1520 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,2,0,0,0,0|1,0,1]=4 1521 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,2,0,0,0,0|1,0,1]=4 1522 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,2,0,0,0,0|1,0,1]=4 1523 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,2,0,0,0,0|1,0,1]=4 1524 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,2,0,0,0,0|0,0,2]=4 1525 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,2,0,0,0,0|0,0,2]=4 1526 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,2,0,0,0,0|0,0,2]=4 1527 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,2,0,0,0,0|0,0,2]=4 1528 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,2,0,0,0,0|0,1,1]=4 1529 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,2,0,0,0,0|0,1,1]=4 1530 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,2,0,0,0,0|1,0,1]=4 1531 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,2,0,0,0,0|1,0,1]=4 1532 B7R0.1 C=CCSCSC#N 62a_100000210623_100000211825 [0,2,0,0,0,0|1,0,1]=4 1533 B7R0.1 C=CCSCSC#N 62a_100000211825_100000210623 [0,2,0,0,0,0|1,0,1]=4 1534 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,2,0,0,0,0|1,0,1]=4 1535 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,2,0,0,0,0|1,0,1]=4 1536 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,2,0,0,0,0|1,0,1]=4 1537 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,2,0,0,0,0|1,0,1]=4 1538 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,2,0,0,0,0|1,0,1]=4 1539 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,2,0,0,0,0|1,0,1]=4 1540 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,2,0,0,0,0|1,0,1]=4 1541 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [0,2,0,0,0,0|1,0,1]=4 1542 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,2,0,0,0,0|1,0,1]=4 1543 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,2,0,0,0,0|1,0,1]=4 1544 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [0,2,0,0,0,0|1,0,1]=4 1545 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [0,2,0,0,0,0|1,0,1]=4 1546 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [0,2,0,0,0,0|0,0,2]=4 1547 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [0,2,0,0,0,0|0,0,2]=4 1548 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,2,0,0,0,0|0,0,2]=4 1549 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,2,0,0,0,0|0,0,2]=4 1550 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,2,0,0,0,0|0,0,2]=4 1551 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,2,0,0,0,0|2,0,0]=4 1552 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,2,0,0,0,0|2,0,0]=4 1553 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,2,0,0,0,0|2,0,0]=4 1554 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,2,0,0,0,0|2,0,0]=4 1555 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,2,0,0,0,0|2,0,0]=4 1556 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,2,0,0,0,0|2,0,0]=4 1557 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,2,0,0,0,0|2,0,0]=4 1558 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,2,0,0,0,0|2,0,0]=4 1559 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,2,0,0,0,0|2,0,0]=4 1560 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,2,0,0,0,0|2,0,0]=4 1561 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,2,0,0,0,0|2,0,0]=4 1562 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,2,0,0,0,0|2,0,0]=4 1563 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,2,0,0,0,0|2,0,0]=4 1564 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,2,0,0,0,0|2,0,0]=4 1565 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,2,0,0,0,0|0,0,2]=4 1566 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,2,0,0,0,0|0,0,2]=4 1567 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [0,2,0,0,0,0|1,0,1]=4 1568 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,2,0,0,0,0|0,0,2]=4 1569 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,2,0,0,0,0|0,0,2]=4 1570 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [0,2,0,0,0,0|1,0,1]=4 1571 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,2,0,0,0,0|1,0,1]=4 1572 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,2,0,0,0,0|1,0,1]=4 1573 B7R0.1 CC=CCSCC#N 62a_100000070051_100011215382 [0,2,0,0,0,0|1,0,1]=4 1574 B7R0.1 CC=CCSCC#N 62a_100011215382_100000070051 [0,2,0,0,0,0|1,0,1]=4 1575 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,2,0,0,0,0|0,0,0]=2 1576 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,2,0,0,0,0|0,0,0]=2 1577 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,2,0,0,0,0|1,0,1]=4 1578 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,2,0,0,0,0|1,0,1]=4 1579 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [0,2,0,0,0,0|1,0,1]=4 1580 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [0,2,0,0,0,0|1,0,1]=4 1581 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [0,2,0,0,0,0|0,0,2]=4 1582 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [0,2,0,0,0,0|0,0,2]=4 1583 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,2,0,0,0,0|2,0,0]=4 1584 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,2,0,0,0,0|2,0,0]=4 1585 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,2,0,0,0,0|2,0,0]=4 1586 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,2,0,0,0,0|2,0,0]=4 1587 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,2,0,0,0,0|0,0,2]=4 1588 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,2,0,0,0,0|0,0,2]=4 1589 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,2,0,0,0,0|0,0,2]=4 1590 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,2,0,0,0,0|0,0,2]=4 1591 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,2,0,0,0,0|0,0,2]=4 1592 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,2,0,0,0,0|0,0,2]=4 1593 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,2,0,0,0,0|0,0,2]=4 1594 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,2,0,0,0,0|0,0,2]=4 1595 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,2,0,0,0,0|0,0,2]=4 1596 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,2,0,0,0,0|0,0,2]=4 1597 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,2,0,0,0,0|0,0,2]=4 1598 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,2,0,0,0,0|0,0,2]=4 1599 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,2,0,0,0,0|0,0,2]=4 1600 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,2,0,0,0,0|0,0,2]=4 1601 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,2,0,0,0,0|0,0,2]=4 1602 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,2,0,0,0,0|0,0,2]=4 1603 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,2,0,0,0,0|0,0,2]=4 1604 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,2,0,0,0,0|0,0,2]=4 1605 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,2,0,0,0,0|0,0,2]=4 1606 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,2,0,0,0,0|0,0,2]=4 1607 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,2,0,0,0,0|0,0,2]=4 1608 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,2,0,0,0,0|0,0,2]=4 1609 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,2,0,0,0,0|0,0,2]=4 1610 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,2,0,0,0,0|0,0,2]=4 1611 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,2,0,0,0,0|0,0,2]=4 1612 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,2,0,0,0,0|0,0,2]=4 1613 B7R0.1 N#CSCSCC=O 62a_100000211825_200015260668 [0,2,0,0,0,0|1,0,1]=4 1614 B7R0.1 N#CSCSCC=O 62a_200015260668_100000211825 [0,2,0,0,0,0|1,0,1]=4 1615 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,2,0,0,0,0|0,0,2]=4 1616 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,2,0,0,0,0|1,0,1]=4 1617 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,2,0,0,0,0|0,0,2]=4 1618 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,2,0,0,0,0|0,0,2]=4 1619 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,2,0,0,0,0|0,0,2]=4 1620 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,2,0,0,0,0|0,0,2]=4 1621 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,2,0,0,0,0|0,0,2]=4 1622 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,2,0,0,0,0|0,0,2]=4 1623 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,2,0,0,0,0|0,0,2]=4 1624 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,2,0,0,0,0|0,0,2]=4 1625 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,2,0,0,0,0|0,0,2]=4 1626 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,2,0,0,0,0|0,0,2]=4 1627 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,2,0,0,0,0|0,0,2]=4 1628 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,2,0,0,0,0|0,0,2]=4 1629 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,2,0,0,0,0|0,0,2]=4 1630 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,1,0,0|2,0,0]=4 1631 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,1,0,0|2,0,0]=4 1632 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1633 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1634 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1635 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1636 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1637 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1638 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,1,0,1,0,0|1,0,1]=4 1639 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,1,0,1,0,0|0,0,2]=4 1640 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|0,0,2]=4 1641 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|0,0,2]=4 1642 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|0,0,2]=4 1643 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|0,0,2]=4 1644 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|0,0,2]=4 1645 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|0,0,2]=4 1646 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|0,0,2]=4 1647 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 1648 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 1649 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|1,0,1]=4 1650 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|1,0,1]=4 1651 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,1,0,1,0,0|1,0,1]=4 1652 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,1,0,1,0,0|1,0,1]=4 1653 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,1,0,1,0,0|1,0,1]=4 1654 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,1,0,1,0,0|0,0,2]=4 1655 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,1,0,1,0,0|0,0,2]=4 1656 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|0,0,2]=4 1657 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|1,0,1]=4 1658 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|0,0,2]=4 1659 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|1,0,1]=4 1660 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|0,0,2]=4 1661 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|0,0,2]=4 1662 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,1]=4 1663 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,1]=4 1664 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,1]=4 1665 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|0,0,2]=4 1666 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,1]=4 1667 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,1]=4 1668 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|0,0,2]=4 1669 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|0,0,2]=4 1670 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|1,0,1]=4 1671 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|1,0,1]=4 1672 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|1,0,1]=4 1673 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|0,0,2]=4